A0A3Q0KM53_SCHMA Loading...

Guanine nucleotide-binding protein subunit alpha

Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems.

AlphaFold DB , UniProt , Accession A0A3Q0KM53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 353 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	66.2	Low	235 Å²	235	130 Å²	130	100%	1.158	65%	0.647	S	S	*	*				0	109.9	0	-75.2	175.3	-169.5	0	0	107.7	C3	M1-C3 PolarHBondContact O-N 3.4Å; M1-C3 VanDerWaalsContact O-N 3.08Å
2	S	46.3	Very low	67.6	Low	99 Å²	99	129.5 Å²	129.5	69%	0.692	64%	0.641	S	S	*	*			trans	-66.3	104.8	169.7	-178.5	0	0	0	0	106.5	F4	S2-F4 WeakPolarHBondContact O-CD2 3.33Å; S2-F4 PolarHBondContact O-N 2.8Å
3	C	48.3	Very low	68.9	Low	115 Å²	115	125.2 Å²	125.2	78%	0.777	62%	0.618	S	S	*	*			trans	-64.3	93	173.7	-71.5	0	0	0	0	107.1	M1 R5	M1-C3 PolarHBondContact O-N 3.4Å; M1-C3 VanDerWaalsContact O-N 3.08Å; C3-R5 VanDerWaalsContact C-N 3.29Å; C3-R5 PolarHBondContact O-N 2.84Å
4	F	53.3	Low	70.2	Confident	181 Å²	181	126.7 Å²	126.7	79%	0.794	61%	0.614	S	S	*	*			trans	-57.3	98.4	167.5	-79.5	-91.3	0	0	0	106.7	S2 S6	S2-F4 WeakPolarHBondContact O-CD2 3.33Å; S2-F4 PolarHBondContact O-N 2.8Å; F4-S6 PolarHBondContact O-N 3.18Å
5	R	58.5	Low	71.2	Confident	144 Å²	144	123.5 Å²	123.5	54%	0.543	60%	0.6	S	S	.	*			trans	-56.2	123.3	166	-71.7	-172.7	179.3	172.8	3	106.4	C3	C3-R5 VanDerWaalsContact C-N 3.29Å; C3-R5 PolarHBondContact O-N 2.84Å
6	S	74.3	Confident	72.1	Confident	66 Å²	66	119.6 Å²	119.6	46%	0.462	59%	0.589	S	S	.	*			trans	-53.4	150.8	174.7	55.1	0	0	0	0	110	F4 E8 S9 R10	F4-S6 PolarHBondContact O-N 3.18Å; S6-E8 PolarHBondContact O-N 3.21Å; S6-S9 WeakPolarHBondContact O-CB 3.41Å; S6-S9 PolarHBondContact O-N 2.96Å; S6-S9 PolarHBondContact OG-N 2.94Å; S6-R10 PolarHBondContact O-N 3.18Å
7	E	80.8	Confident	73	Confident	173 Å²	173	121.5 Å²	121.5	81%	0.808	59%	0.588	S	S	*	*	H	α-helix	trans	-51.7	-37.9	174.2	-71.6	-175.2	152	0	0	111.3	S9 R10 E11	E7-S9 PolarHBondContact O-N 3.13Å; E7-R10 WeakPolarHBondContact O-CB 3.48Å; E7-R10 PolarHBondContact O-N 3.41Å; E7-R10 VanDerWaalsContact O-N 3.13Å; E7-E11 PolarHBondContact O-N 3.36Å
8	E	80.1	Confident	73.5	Confident	138 Å²	138	120.9 Å²	120.9	65%	0.645	58%	0.584	S	S	*	*	H	α-helix	trans	-59.2	-41.3	175.4	-160.8	175.2	-165.7	0	0	113.1	S6 R10 E11 Q12	S6-E8 PolarHBondContact O-N 3.21Å; E8-R10 VanDerWaalsContact C-N 3.34Å; E8-R10 PolarHBondContact O-N 2.93Å; E8-E11 PolarHBondContact O-N 3.36Å; E8-Q12 WeakPolarHBondContact O-CB 3.38Å; E8-Q12 WeakPolarHBondContact O-CG 3.46Å; E8-Q12 PolarHBondContact O-N 3.47Å
9	S	83.2	Confident	73.8	Confident	33 Å²	33	119.6 Å²	119.6	23%	0.231	58%	0.579	C	S	.	*	H	α-helix	trans	-66.9	-34.7	175.7	178.3	0	0	0	0	112.4	S6 E7 Q13	S6-S9 WeakPolarHBondContact O-CB 3.41Å; S6-S9 PolarHBondContact O-N 2.96Å; S6-S9 PolarHBondContact OG-N 2.94Å; E7-S9 PolarHBondContact O-N 3.13Å; S9-Q13 PolarHBondContact O-N 3.36Å; S9-Q13 VanDerWaalsContact O-N 3.14Å
10	R	82.1	Confident	74.2	Confident	160 Å²	160	119.9 Å²	119.9	60%	0.604	58%	0.579	S	S	*	*	H	α-helix	trans	-69	-41.7	175.4	-66.6	-179.4	179.7	-175	-1.7	111.1	S6 E7 E8 Q13 R14	S6-R10 PolarHBondContact O-N 3.18Å; E7-R10 WeakPolarHBondContact O-CB 3.48Å; E7-R10 PolarHBondContact O-N 3.41Å; E7-R10 VanDerWaalsContact O-N 3.13Å; E8-R10 VanDerWaalsContact C-N 3.34Å; E8-R10 PolarHBondContact O-N 2.93Å; R10-Q13 PolarHBondContact O-N 2.91Å; R10-R14 PolarHBondContact O-N 3.05Å
11	E	84.4	Confident	74.3	Confident	86 Å²	86	122.5 Å²	122.5	40%	0.402	58%	0.583	S	S	.	*	H	α-helix	trans	-67.3	-42.7	178.3	-167.9	58.8	-158.1	0	0	111.6	E7 E8 Q13 R14 I15	E7-E11 PolarHBondContact O-N 3.36Å; E8-E11 PolarHBondContact O-N 3.36Å; E11-Q13 VanDerWaalsContact C-N 3.32Å; E11-Q13 PolarHBondContact O-N 3.36Å; E11-R14 WeakPolarHBondContact O-CB 3.34Å; E11-R14 PolarHBondContact O-N 2.99Å; E11-R14 IonicContact OE1-CZ 3.63Å; E11-R14 IonicContact OE1-NE 3.96Å; E11-R14 PolarHBondContact OE1-NE 3.41Å; E11-R14 IonicContact OE1-NH2 3.97Å; E11-R14 IonicContact OE2-NE 3.4Å; E11-I15 HydrophobicContact CG-CD1 4.11Å; E11-I15 WeakPolarHBondContact O-CG1 3.39Å; E11-I15 PolarHBondContact O-N 3.14Å
12	Q	82.7	Confident	75.9	Confident	124 Å²	124	115.8 Å²	115.8	58%	0.579	55%	0.549	S	S	*	.	H	α-helix	trans	-58.8	-41	173.3	-77	179.3	-9.5	0	0	112.7	E8 R14 S16	E8-Q12 WeakPolarHBondContact O-CB 3.38Å; E8-Q12 WeakPolarHBondContact O-CG 3.46Å; E8-Q12 PolarHBondContact O-N 3.47Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; Q12-S16 WeakPolarHBondContact O-CB 3.41Å; Q12-S16 PolarHBondContact O-N 3.35Å
13	Q	84.8	Confident	77	Confident	73 Å²	73	116.3 Å²	116.3	34%	0.341	54%	0.544	S	S	.	.	H	α-helix	trans	-66.7	-34.4	174.1	-84.2	-177.2	-13.6	0	0	112.8	S9 R10 E11 R17	S9-Q13 PolarHBondContact O-N 3.36Å; S9-Q13 VanDerWaalsContact O-N 3.14Å; R10-Q13 PolarHBondContact O-N 2.91Å; E11-Q13 VanDerWaalsContact C-N 3.32Å; E11-Q13 PolarHBondContact O-N 3.36Å; Q13-R17 WeakPolarHBondContact O-CB 3.46Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.31Å; Q13-R17 PolarHBondContact O-N 3.07Å; Q13-R17 VanDerWaalsContact O-N 3.07Å
14	R	87.4	Confident	77.8	Confident	147 Å²	147	116.4 Å²	116.4	56%	0.555	53%	0.532	S	S	*	.	H	α-helix	trans	-65	-50.5	175.9	-162.6	-177.2	95.4	126.3	14.7	110.7	R10 E11 Q12 R17 E18	R10-R14 PolarHBondContact O-N 3.05Å; E11-R14 WeakPolarHBondContact O-CB 3.34Å; E11-R14 PolarHBondContact O-N 2.99Å; E11-R14 IonicContact OE1-CZ 3.63Å; E11-R14 IonicContact OE1-NE 3.96Å; E11-R14 PolarHBondContact OE1-NE 3.41Å; E11-R14 IonicContact OE1-NH2 3.97Å; E11-R14 IonicContact OE2-NE 3.4Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; R14-R17 PolarHBondContact O-N 2.99Å; R14-E18 WeakPolarHBondContact O-CB 3.21Å; R14-E18 PolarHBondContact O-N 2.84Å
15	I	85.3	Confident	78.3	Confident	79 Å²	79	114.5 Å²	114.5	41%	0.405	52%	0.524	S	S	.	.	H	α-helix	trans	-61	-47	177.7	-65.5	167.9	0	0	0	110.7	E11 R17 E18 I19	E11-I15 HydrophobicContact CG-CD1 4.11Å; E11-I15 WeakPolarHBondContact O-CG1 3.39Å; E11-I15 PolarHBondContact O-N 3.14Å; I15-R17 PolarHBondContact O-N 3.1Å; I15-E18 PolarHBondContact O-N 2.84Å; I15-E18 VanDerWaalsContact O-N 3.1Å; I15-I19 HydrophobicContact CG2-CD1 3.71Å; I15-I19 HydrophobicContact CG2-CG1 4.28Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.23Å; I15-I19 PolarHBondContact O-N 3.08Å
16	S	85.6	Confident	78.2	Confident	61 Å²	61	111.7 Å²	111.7	43%	0.427	52%	0.52	S	S	.	.	H	α-helix	trans	-58.9	-44.2	178.3	177.6	0	0	0	0	112.2	Q12 E18 I19 E20	Q12-S16 WeakPolarHBondContact O-CB 3.41Å; Q12-S16 PolarHBondContact O-N 3.35Å; S16-E18 VanDerWaalsContact C-N 3.33Å; S16-E18 PolarHBondContact O-N 3.44Å; S16-I19 PolarHBondContact O-N 2.82Å; S16-E20 WeakPolarHBondContact O-CG 3.21Å; S16-E20 PolarHBondContact O-N 2.85Å
17	R	86.6	Confident	77.2	Confident	152 Å²	152	114.8 Å²	114.8	57%	0.574	53%	0.525	S	S	*	.	H	α-helix	trans	-64.9	-34.9	174.4	-74.3	172.5	-178.9	-178.6	0.9	113	Q13 R14 I15 R21	Q13-R17 WeakPolarHBondContact O-CB 3.46Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.31Å; Q13-R17 PolarHBondContact O-N 3.07Å; Q13-R17 VanDerWaalsContact O-N 3.07Å; R14-R17 PolarHBondContact O-N 2.99Å; I15-R17 PolarHBondContact O-N 3.1Å; R17-R21 WeakPolarHBondContact O-CB 3.4Å; R17-R21 WeakPolarHBondContact O-CG 3.37Å; R17-R21 PolarHBondContact O-N 2.9Å
18	E	82.9	Confident	75.9	Confident	111 Å²	111	110.6 Å²	110.6	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-72.7	-39.3	178.5	-165.3	150.1	-151.1	0	0	111.4	R14 I15 S16 R21 Q22	R14-E18 WeakPolarHBondContact O-CB 3.21Å; R14-E18 PolarHBondContact O-N 2.84Å; I15-E18 PolarHBondContact O-N 2.84Å; I15-E18 VanDerWaalsContact O-N 3.1Å; S16-E18 VanDerWaalsContact C-N 3.33Å; S16-E18 PolarHBondContact O-N 3.44Å; E18-R21 PolarHBondContact O-N 2.97Å; E18-Q22 WeakPolarHBondContact O-CB 3.34Å; E18-Q22 PolarHBondContact O-N 2.93Å
19	I	78.5	Confident	74.7	Confident	95 Å²	95	108.3 Å²	108.3	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-61.1	-46.9	170.5	-68.1	168.6	0	0	0	110.6	I15 S16 R21 Q22 L23	I15-I19 HydrophobicContact CG2-CD1 3.71Å; I15-I19 HydrophobicContact CG2-CG1 4.28Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.23Å; I15-I19 PolarHBondContact O-N 3.08Å; S16-I19 PolarHBondContact O-N 2.82Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.25Å; I19-Q22 PolarHBondContact O-N 3.44Å; I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.31Å; I19-L23 WeakPolarHBondContact O-CB 3.43Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 3.39Å
20	E	81.1	Confident	73.4	Confident	125 Å²	125	109.8 Å²	109.8	58%	0.584	53%	0.533	S	S	*	.	H	α-helix	trans	-61.3	-41.2	176.2	-77.6	-179.1	173	0	0	112.2	S16 H24	S16-E20 WeakPolarHBondContact O-CG 3.21Å; S16-E20 PolarHBondContact O-N 2.85Å; E20-H24 VanDerWaalsContact O-CB 3.3Å; E20-H24 WeakPolarHBondContact O-CB 3.42Å; E20-H24 PolarHBondContact O-N 3.32Å
21	R	77	Confident	72.4	Confident	176 Å²	176	106.2 Å²	106.2	66%	0.664	52%	0.52	S	S	*	.	H	α-helix	trans	-63.9	-41.5	175	-78	171.1	-179.1	179.3	-0.4	111.9	R17 E18 I19 H24 K25	R17-R21 WeakPolarHBondContact O-CB 3.4Å; R17-R21 WeakPolarHBondContact O-CG 3.37Å; R17-R21 PolarHBondContact O-N 2.9Å; E18-R21 PolarHBondContact O-N 2.97Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.25Å; R21-H24 PolarHBondContact O-N 3.31Å; R21-K25 WeakPolarHBondContact O-CG 3.47Å; R21-K25 PolarHBondContact O-N 3.07Å
22	Q	70.2	Confident	72.1	Confident	94 Å²	94	105 Å²	105	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-70.3	-44.5	179.2	-168	60.3	32.1	0	0	111	E18 I19 H24 K25 D26	E18-Q22 WeakPolarHBondContact O-CB 3.34Å; E18-Q22 PolarHBondContact O-N 2.93Å; I19-Q22 PolarHBondContact O-N 3.44Å; Q22-H24 VanDerWaalsContact C-N 3.25Å; Q22-H24 PolarHBondContact O-N 2.74Å; Q22-K25 CarbonylContact O-C 3.54Å; Q22-K25 PolarHBondContact O-N 3.41Å; Q22-K25 VanDerWaalsContact O-N 3.07Å; Q22-D26 PolarHBondContact NE2-OD1 2.91Å; Q22-D26 WeakPolarHBondContact O-CB 3.3Å; Q22-D26 PolarHBondContact O-N 2.88Å
23	L	69.3	Low	72.4	Confident	110 Å²	110	104 Å²	104	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-57.8	-39.2	172	-75.1	170.4	0	0	0	111.6	I19 K27	I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.31Å; I19-L23 WeakPolarHBondContact O-CB 3.43Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 3.39Å; L23-K27 WeakPolarHBondContact O-CB 3.24Å; L23-K27 PolarHBondContact O-N 3.16Å
24	H	66.3	Low	72.7	Confident	116 Å²	116	100.6 Å²	100.6	54%	0.537	49%	0.493	S	S	.	.	H	α-helix	trans	-68.7	-39.5	175.1	-165.2	-42.3	0	0	0	112.1	E20 R21 Q22 N28	E20-H24 VanDerWaalsContact O-CB 3.3Å; E20-H24 WeakPolarHBondContact O-CB 3.42Å; E20-H24 PolarHBondContact O-N 3.32Å; R21-H24 PolarHBondContact O-N 3.31Å; Q22-H24 VanDerWaalsContact C-N 3.25Å; Q22-H24 PolarHBondContact O-N 2.74Å; H24-N28 PolarHBondContact CE1-ND2 2.88Å; H24-N28 VanDerWaalsContact CE1-ND2 3.26Å; H24-N28 PolarHBondContact ND1-ND2 2.71Å; H24-N28 WeakPolarHBondContact O-CB 3.48Å; H24-N28 PolarHBondContact O-N 3Å
25	K	62.6	Low	73	Confident	142 Å²	142	95 Å²	95	62%	0.617	47%	0.472	S	S	*	.	H	α-helix	trans	-65	-46.5	173.7	-81.3	-174.6	178	-178.7	0	111.6	R21 Q22 N28 A29	R21-K25 WeakPolarHBondContact O-CG 3.47Å; R21-K25 PolarHBondContact O-N 3.07Å; Q22-K25 CarbonylContact O-C 3.54Å; Q22-K25 PolarHBondContact O-N 3.41Å; Q22-K25 VanDerWaalsContact O-N 3.07Å; K25-N28 CarbonylContact O-C 3.54Å; K25-N28 PolarHBondContact O-N 3.4Å; K25-N28 VanDerWaalsContact O-N 3.16Å; K25-A29 VanDerWaalsContact O-CB 3.24Å; K25-A29 WeakPolarHBondContact O-CB 3.04Å; K25-A29 PolarHBondContact O-N 3.41Å
26	D	57.4	Low	73.5	Confident	85 Å²	85	91.2 Å²	91.2	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-65.7	-40	179.2	-64.9	-14.6	0	0	0	110.9	Q22 N28 A29 G30	Q22-D26 PolarHBondContact NE2-OD1 2.91Å; Q22-D26 WeakPolarHBondContact O-CB 3.3Å; Q22-D26 PolarHBondContact O-N 2.88Å; D26-N28 VanDerWaalsContact C-N 3.29Å; D26-N28 PolarHBondContact O-N 3.24Å; D26-A29 PolarHBondContact O-N 3.2Å; D26-G30 PolarHBondContact O-N 3.32Å
27	K	54.2	Low	74.1	Confident	131 Å²	131	88.3 Å²	88.3	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-64.6	-32.5	173.8	-165.3	176.8	-170.2	177.5	0	112.2	L23 R31	L23-K27 WeakPolarHBondContact O-CB 3.24Å; L23-K27 PolarHBondContact O-N 3.16Å; K27-R31 WeakPolarHBondContact O-CB 3.36Å; K27-R31 VanDerWaalsContact O-CD 3.27Å; K27-R31 WeakPolarHBondContact O-CD 3.41Å; K27-R31 WeakPolarHBondContact O-CG 3.11Å; K27-R31 PolarHBondContact O-N 3.09Å
28	N	52.8	Low	74.6	Confident	84 Å²	84	81 Å²	81	45%	0.449	41%	0.405	S	S	.	.	H	α-helix	trans	-82.2	-37.7	174.5	-78.7	-1	0	0	0	112.7	H24 K25 D26 G30 R31	H24-N28 PolarHBondContact CE1-ND2 2.88Å; H24-N28 VanDerWaalsContact CE1-ND2 3.26Å; H24-N28 PolarHBondContact ND1-ND2 2.71Å; H24-N28 WeakPolarHBondContact O-CB 3.48Å; H24-N28 PolarHBondContact O-N 3Å; K25-N28 CarbonylContact O-C 3.54Å; K25-N28 PolarHBondContact O-N 3.4Å; K25-N28 VanDerWaalsContact O-N 3.16Å; D26-N28 VanDerWaalsContact C-N 3.29Å; D26-N28 PolarHBondContact O-N 3.24Å; N28-G30 VanDerWaalsContact C-N 3.29Å; N28-G30 PolarHBondContact O-N 2.86Å; N28-R31 PolarHBondContact O-N 3.26Å
29	A	55.5	Low	75.4	Confident	90 Å²	90	75.8 Å²	75.8	74%	0.744	38%	0.38	S	S	*	.	H	α-helix	trans	-68.5	-29.6	177.4	0	0	0	0	0	111.8	K25 D26	K25-A29 VanDerWaalsContact O-CB 3.24Å; K25-A29 WeakPolarHBondContact O-CB 3.04Å; K25-A29 PolarHBondContact O-N 3.41Å; D26-A29 PolarHBondContact O-N 3.2Å
30	G	54.6	Low	76.3	Confident	65 Å²	65	71.2 Å²	71.2	67%	0.67	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.4	174.3	0	0	0	0	0	115.2	D26 N28 K32	D26-G30 PolarHBondContact O-N 3.32Å; N28-G30 VanDerWaalsContact C-N 3.29Å; N28-G30 PolarHBondContact O-N 2.86Å; G30-K32 PolarHBondContact O-N 3.28Å
31	R	61	Low	77	Confident	84 Å²	84	65.6 Å²	65.6	32%	0.317	33%	0.331	S	S	.	.			trans	-84.7	108.9	-178.8	-94.3	173	167.6	-174.5	-9.2	110.2	K27 N28 E33 V194	K27-R31 WeakPolarHBondContact O-CB 3.36Å; K27-R31 VanDerWaalsContact O-CD 3.27Å; K27-R31 WeakPolarHBondContact O-CD 3.41Å; K27-R31 WeakPolarHBondContact O-CG 3.11Å; K27-R31 PolarHBondContact O-N 3.09Å; N28-R31 PolarHBondContact O-N 3.26Å; R31-E33 PolarHBondContact O-N 3Å; R31-V194 HydrophobicContact CB-CG2 4.34Å
32	K	79.2	Confident	77.9	Confident	62 Å²	62	58 Å²	58	27%	0.27	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	122.7	171.6	-167.9	175.8	-175.6	173.4	0	109	G30 T193 V194 N346	G30-K32 PolarHBondContact O-N 3.28Å; K32-T193 HydrophobicContact CB-CG2 4.49Å; K32-T193 WeakPolarHBondContact O-CA 3.07Å; K32-T193 WeakPolarHBondContact O-CG2 3.39Å; K32-V194 PolarHBondContact O-N 2.87Å; K32-N346 VanDerWaalsContact NZ-CB 3.26Å
33	E	88	Confident	79.1	Confident	103 Å²	103	56.3 Å²	56.3	48%	0.481	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.3	172.2	-172.8	166.7	-166.6	0	0	109.4	R31 V194 R196	R31-E33 PolarHBondContact O-N 3Å; E33-V194 CarbonylContact C-O 3.58Å; E33-V194 WeakPolarHBondContact CA-O 3.27Å; E33-R196 IonicContact OE1-CZ 3.51Å; E33-R196 VanDerWaalsContact OE1-CZ 3.31Å; E33-R196 IonicContact OE1-NE 3.57Å; E33-R196 PolarHBondContact OE1-NE 3.46Å; E33-R196 IonicContact OE1-NH2 2.89Å; E33-R196 PolarHBondContact OE1-NH2 3.3Å
34	V	91.8	Very high	80.4	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	112.9	178.1	173	0	0	0	0	108	L36 T193 V194 F195 R196 T218 I342	V34-L36 HydrophobicContact CG1-CD2 3.74Å; V34-L36 HydrophobicContact CG1-CG 4.16Å; V34-T193 HydrophobicContact CB-CG2 4.26Å; V34-T193 HydrophobicContact CG2-CG2 3.63Å; V34-V194 PolarHBondContact N-O 3.48Å; V34-F195 HydrophobicContact CB-CD1 3.93Å; V34-F195 HydrophobicContact CB-CE1 3.95Å; V34-F195 HydrophobicContact CB-CG 4.48Å; V34-F195 HydrophobicContact CB-CZ 4.49Å; V34-F195 HydrophobicContact CG1-CD1 3.78Å; V34-F195 HydrophobicContact CG1-CE1 3.64Å; V34-F195 HydrophobicContact CG2-CE1 4.42Å; V34-F195 WeakPolarHBondContact O-CA 3.37Å; V34-R196 PolarHBondContact O-N 2.94Å; V34-T218 HydrophobicContact CG1-CG2 4.07Å; V34-I342 HydrophobicContact CG1-CG2 3.71Å
35	K	93.9	Very high	81.9	Confident	28 Å²	28	46 Å²	46	12%	0.122	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.3	178	-171.9	-178.5	-179.5	-177.9	0	110.1	R196 V198 S213 E215 S216 V217 T218 S219	K35-R196 CarbonylContact C-O 3.56Å; K35-R196 WeakPolarHBondContact CA-O 3.47Å; K35-V198 HydrophobicContact CD-CG2 4.42Å; K35-V198 HydrophobicContact CG-CG2 4.04Å; K35-S213 PolarHBondContact NZ-O 2.95Å; K35-S213 VanDerWaalsContact NZ-O 3.16Å; K35-E215 PolarHBondContact NZ-O 2.74Å; K35-S216 WeakPolarHBondContact CB-O 3.47Å; K35-S216 WeakPolarHBondContact CD-O 3.4Å; K35-V217 HydrophobicContact CD-CG2 4.2Å; K35-T218 PolarHBondContact N-OG1 3.47Å; K35-T218 WeakPolarHBondContact O-CB 3.38Å; K35-T218 PolarHBondContact O-N 3.47Å; K35-S219 PolarHBondContact O-N 3.37Å
36	L	95.9	Very high	83.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.9	178.4	-55.9	-179.6	0	0	0	109.7	V34 F195 R196 I197 V198 S219 I221 F335 I342	V34-L36 HydrophobicContact CG1-CD2 3.74Å; V34-L36 HydrophobicContact CG1-CG 4.16Å; L36-F195 HydrophobicContact CD1-CD1 3.85Å; L36-F195 HydrophobicContact CD1-CE1 4.35Å; L36-F195 HydrophobicContact CG-CD1 4.35Å; L36-R196 PolarHBondContact N-O 2.98Å; L36-I197 HydrophobicContact CB-CG1 4.23Å; L36-I197 HydrophobicContact CD1-CG1 4.23Å; L36-I197 CarbonylContact O-C 3.22Å; L36-I197 WeakPolarHBondContact O-CA 3.22Å; L36-V198 PolarHBondContact O-N 2.75Å; L36-S219 WeakPolarHBondContact CA-O 2.99Å; L36-I221 HydrophobicContact CB-CD1 4.44Å; L36-I221 HydrophobicContact CD1-CD1 4.1Å; L36-F335 HydrophobicContact CD1-CE2 4.14Å; L36-I342 HydrophobicContact CD1-CD1 4.18Å; L36-I342 HydrophobicContact CD2-CD1 3.53Å; L36-I342 HydrophobicContact CD2-CG1 4.35Å
37	L	97.5	Very high	85.5	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119	177.4	-178.9	60	0	0	0	110.1	L39 V198 V200 F214 V217 S219 I221 F258	L37-L39 HydrophobicContact CD1-CD2 4.3Å; L37-L39 HydrophobicContact CD2-CD1 4.09Å; L37-L39 HydrophobicContact CD2-CD2 4.12Å; L37-L39 HydrophobicContact CD2-CG 4.19Å; L37-L39 HydrophobicContact CG-CD1 4.37Å; L37-L39 HydrophobicContact CG-CD2 3.98Å; L37-L39 HydrophobicContact CG-CG 3.96Å; L37-V198 HydrophobicContact CD1-CB 3.89Å; L37-V198 HydrophobicContact CD1-CG1 3.91Å; L37-V200 HydrophobicContact CD1-CG1 4.46Å; L37-F214 HydrophobicContact CD2-CD1 3.6Å; L37-F214 HydrophobicContact CD2-CE1 3.76Å; L37-V217 HydrophobicContact CB-CG1 3.72Å; L37-V217 HydrophobicContact CB-CG2 4.02Å; L37-V217 HydrophobicContact CD2-CG2 4.07Å; L37-S219 PolarHBondContact N-O 3.44Å; L37-I221 PolarHBondContact O-N 3.14Å; L37-F258 HydrophobicContact CD2-CZ 4.04Å
38	L	98.2	Very high	87.6	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.8	175.7	-53.1	-171.8	0	0	0	110.1	K46 F49 V50 I197 V198 D199 V200 I221 L223	L38-K46 HydrophobicContact CB-CB 4.19Å; L38-K46 HydrophobicContact CB-CD 4.05Å; L38-K46 HydrophobicContact CB-CG 4.18Å; L38-K46 HydrophobicContact CD1-CB 4.09Å; L38-F49 HydrophobicContact CD1-CD1 3.95Å; L38-F49 HydrophobicContact CD2-CD1 3.95Å; L38-F49 HydrophobicContact CD2-CE1 4.13Å; L38-V50 HydrophobicContact CD1-CG2 3.65Å; L38-I197 HydrophobicContact CD1-CG2 3.54Å; L38-I197 HydrophobicContact CD2-CG2 3.91Å; L38-I197 HydrophobicContact CG-CG2 3.54Å; L38-V198 WeakPolarHBondContact CB-O 3.43Å; L38-V198 PolarHBondContact N-O 3.29Å; L38-D199 HydrophobicContact CD1-CB 4.35Å; L38-V200 WeakPolarHBondContact O-CG2 3.39Å; L38-I221 WeakPolarHBondContact CA-O 3.15Å; L38-I221 HydrophobicContact CD2-CB 3.76Å; L38-I221 HydrophobicContact CD2-CD1 4.04Å; L38-I221 HydrophobicContact CD2-CG1 4.33Å; L38-I221 HydrophobicContact CD2-CG2 4.28Å; L38-L223 HydrophobicContact CB-CD1 4.26Å; L38-L223 HydrophobicContact CD2-CD1 4.13Å
39	L	98	Very high	89.7	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	161.4	177.3	-61.8	177.6	0	0	0	111	L37 V200 W210 I220 I221 F222 L223 I252 F258	L37-L39 HydrophobicContact CD1-CD2 4.3Å; L37-L39 HydrophobicContact CD2-CD1 4.09Å; L37-L39 HydrophobicContact CD2-CD2 4.12Å; L37-L39 HydrophobicContact CD2-CG 4.19Å; L37-L39 HydrophobicContact CG-CD1 4.37Å; L37-L39 HydrophobicContact CG-CD2 3.98Å; L37-L39 HydrophobicContact CG-CG 3.96Å; L39-V200 HydrophobicContact CD2-CG2 3.94Å; L39-W210 HydrophobicContact CD2-CD2 3.83Å; L39-W210 HydrophobicContact CD2-CE3 3.7Å; L39-W210 HydrophobicContact CD2-CG 4.33Å; L39-W210 HydrophobicContact CD2-CH2 4.41Å; L39-W210 HydrophobicContact CD2-CZ3 4.01Å; L39-I220 HydrophobicContact CD1-CG2 3.97Å; L39-I220 HydrophobicContact CG-CG2 4.35Å; L39-I221 PolarHBondContact N-O 3.28Å; L39-F222 HydrophobicContact CB-CD2 3.94Å; L39-F222 HydrophobicContact CB-CE2 4.45Å; L39-F222 CarbonylContact O-C 3.55Å; L39-F222 WeakPolarHBondContact O-CA 3.3Å; L39-L223 PolarHBondContact O-N 3.4Å; L39-I252 HydrophobicContact CD1-CD1 3.88Å; L39-I252 HydrophobicContact CD1-CG1 4.04Å; L39-I252 HydrophobicContact CD1-CG2 3.67Å; L39-F258 HydrophobicContact CD1-CE2 4.11Å; L39-F258 HydrophobicContact CD1-CZ 4.44Å
40	G	97.8	Very high	91.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.			trans	139.6	168.6	-180	0	0	0	0	0	112.6	K46 G202	G40-K46 PolarHBondContact O-NZ 3.36Å; G40-G202 WeakPolarHBondContact O-CA 3.35Å
41	T	96.8	Very high	93.8	Very high	6 Å²	6	23 Å²	23	4%	0.037	12%	0.115	C	C	.	.	S	Bend	trans	-59.8	167.1	-179.8	52.6	0	0	0	0	112.6	S44 K46 E244 L248	T41-S44 PolarHBondContact O-OG 3.39Å; T41-K46 PolarHBondContact O-NZ 3.37Å; T41-E244 HydrophobicContact CG2-CG 4.12Å; T41-L248 HydrophobicContact CG2-CD2 3.9Å
42	G	94.7	Very high	95.5	Very high	16 Å²	16	19 Å²	19	17%	0.165	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	146.8	167.5	0	0	0	0	0	110.1	S44 G202	G42-S44 PolarHBondContact O-N 3.32Å; G42-G202 VanDerWaalsContact N-C 3.31Å; G42-G202 PolarHBondContact N-O 3.17Å
43	E	95.2	Very high	96.3	Very high	60 Å²	60	16 Å²	16	28%	0.28	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	2.8	173.9	-42.6	-162.1	131.1	0	0	116.8	G45 R177 R241 K269	E43-G45 PolarHBondContact O-N 3.08Å; E43-G45 VanDerWaalsContact O-N 3.12Å; E43-R177 IonicContact OE1-NE 3.27Å; E43-R241 IonicContact OE2-CZ 2.78Å; E43-R241 IonicContact OE2-NH1 3.67Å; E43-R241 PolarHBondContact OE2-NH1 3.16Å; E43-R241 IonicContact OE2-NH2 2.77Å; E43-R241 PolarHBondContact OE2-NH2 2.73Å; E43-K269 WeakPolarHBondContact O-CE 3.36Å; E43-K269 PolarHBondContact O-NZ 3.49Å
44	S	97.6	Very high	96.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-66.6	-14.2	179.2	71.9	0	0	0	0	115.3	T41 G42 L223 N268	T41-S44 PolarHBondContact O-OG 3.39Å; G42-S44 PolarHBondContact O-N 3.32Å; S44-L223 WeakPolarHBondContact CB-O 3.45Å; S44-L223 PolarHBondContact OG-O 2.99Å; S44-N268 PolarHBondContact O-ND2 3.35Å
45	G	97.6	Very high	97	Very high	9 Å²	9	15.5 Å²	15.5	9%	0.093	8%	0.082	C	C	.	.	S	Bend	trans	108.8	11.1	175.4	0	0	0	0	0	115.9	E43 T48 F49	E43-G45 PolarHBondContact O-N 3.08Å; E43-G45 VanDerWaalsContact O-N 3.12Å; G45-T48 WeakPolarHBondContact O-CB 3.07Å; G45-T48 PolarHBondContact O-N 3.27Å; G45-F49 PolarHBondContact O-N 3.1Å
46	K	97.8	Very high	97.1	Very high	10 Å²	10	15.2 Å²	15.2	4%	0.043	8%	0.082	C	C	.	.	H	α-helix	trans	-54.3	-55.4	-179.7	-58.3	-175.5	-69.9	-69.1	0	113.1	L38 G40 T41 T48 F49 V50 D199 V200 L223	L38-K46 HydrophobicContact CB-CB 4.19Å; L38-K46 HydrophobicContact CB-CD 4.05Å; L38-K46 HydrophobicContact CB-CG 4.18Å; L38-K46 HydrophobicContact CD1-CB 4.09Å; G40-K46 PolarHBondContact O-NZ 3.36Å; T41-K46 PolarHBondContact O-NZ 3.37Å; K46-T48 VanDerWaalsContact C-N 3.26Å; K46-T48 PolarHBondContact O-N 2.84Å; K46-F49 WeakPolarHBondContact O-CA 3.33Å; K46-F49 WeakPolarHBondContact O-CB 3.25Å; K46-F49 PolarHBondContact O-N 3.28Å; K46-V50 PolarHBondContact O-N 3.3Å; K46-D199 WeakPolarHBondContact CB-OD1 3.24Å; K46-V200 WeakPolarHBondContact CE-O 3.49Å; K46-L223 HydrophobicContact CB-CD1 4.47Å; K46-L223 HydrophobicContact CG-CB 4.13Å; K46-L223 HydrophobicContact CG-CD1 3.88Å; K46-L223 HydrophobicContact CG-CG 4.4Å
47	S	97.8	Very high	97	Very high	27 Å²	27	17.8 Å²	17.8	19%	0.189	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-32.3	179.4	-46.4	0	0	0	0	112.3	F49 V50 K51 T180 D199	S47-F49 VanDerWaalsContact C-N 3.34Å; S47-V50 PolarHBondContact O-N 3.21Å; S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.34Å; S47-K51 PolarHBondContact O-N 2.91Å; S47-T180 PolarHBondContact OG-OG1 3.09Å; S47-D199 VanDerWaalsContact CA-OD2 3.31Å; S47-D199 WeakPolarHBondContact CA-OD2 3.42Å; S47-D199 VanDerWaalsContact CB-OD2 3.28Å; S47-D199 WeakPolarHBondContact CB-OD2 3.34Å; S47-D199 PolarHBondContact OG-OD2 3.24Å
48	T	98	Very high	96.7	Very high	26 Å²	26	19.2 Å²	19.2	16%	0.16	11%	0.109	C	C	.	.	H	α-helix	trans	-64.7	-39.7	173	-53.5	0	0	0	0	111.1	G45 K46 K51 Q52 L174 A325 T326	G45-T48 WeakPolarHBondContact O-CB 3.07Å; G45-T48 PolarHBondContact O-N 3.27Å; K46-T48 VanDerWaalsContact C-N 3.26Å; K46-T48 PolarHBondContact O-N 2.84Å; T48-K51 WeakPolarHBondContact O-CB 3.5Å; T48-K51 PolarHBondContact O-N 3.49Å; T48-Q52 WeakPolarHBondContact O-CG 3.36Å; T48-Q52 PolarHBondContact O-N 3.1Å; T48-L174 HydrophobicContact CG2-CB 4.3Å; T48-L174 HydrophobicContact CG2-CD2 3.87Å; T48-L174 WeakPolarHBondContact CG2-O 3.5Å; T48-L174 PolarHBondContact OG1-O 3.19Å; T48-A325 HydrophobicContact CG2-CB 3.65Å; T48-A325 WeakPolarHBondContact CG2-O 3.05Å; T48-T326 HydrophobicContact CG2-CG2 4.37Å
49	F	98	Very high	96.3	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-42	172.8	-178.8	-105.6	0	0	0	112.1	L38 G45 K46 S47 K51 Q52 M53 I197 I221 L223 F266 I331 F335	L38-F49 HydrophobicContact CD1-CD1 3.95Å; L38-F49 HydrophobicContact CD2-CD1 3.95Å; L38-F49 HydrophobicContact CD2-CE1 4.13Å; G45-F49 PolarHBondContact O-N 3.1Å; K46-F49 WeakPolarHBondContact O-CA 3.33Å; K46-F49 WeakPolarHBondContact O-CB 3.25Å; K46-F49 PolarHBondContact O-N 3.28Å; S47-F49 VanDerWaalsContact C-N 3.34Å; F49-K51 PolarHBondContact O-N 2.58Å; F49-Q52 WeakPolarHBondContact O-CB 3.4Å; F49-Q52 PolarHBondContact O-N 3.23Å; F49-Q52 VanDerWaalsContact O-N 3.14Å; F49-M53 HydrophobicContact CD1-CG 4.4Å; F49-M53 HydrophobicContact CE1-CG 4.05Å; F49-M53 HydrophobicContact CE1-SD 4.41Å; F49-M53 HydrophobicContact CE2-CE 3.82Å; F49-M53 HydrophobicContact CE2-CG 4.48Å; F49-M53 HydrophobicContact CE2-SD 4.37Å; F49-M53 HydrophobicContact CZ-CE 4Å; F49-M53 HydrophobicContact CZ-CG 4.09Å; F49-M53 HydrophobicContact CZ-SD 3.94Å; F49-M53 WeakPolarHBondContact O-CG 3.23Å; F49-M53 PolarHBondContact O-N 3.47Å; F49-I197 HydrophobicContact CE1-CD1 3.96Å; F49-I221 HydrophobicContact CE1-CD1 4.02Å; F49-I221 HydrophobicContact CZ-CD1 4.31Å; F49-L223 HydrophobicContact CB-CD2 4.2Å; F49-F266 AromaticContact CD2-CE2 3.86Å; F49-F266 HydrophobicContact CD2-CE2 3.86Å; F49-F266 HydrophobicContact CE1-CE2 4.47Å; F49-F266 AromaticContact CE2-CE2 3.56Å; F49-F266 HydrophobicContact CE2-CE2 3.56Å; F49-F266 HydrophobicContact CE2-CZ 4.21Å; F49-F266 HydrophobicContact CG-CE2 4.44Å; F49-F266 AromaticContact CZ-CE2 3.89Å; F49-F266 HydrophobicContact CZ-CE2 3.89Å; F49-F266 HydrophobicContact CZ-CZ 4.38Å; F49-I331 HydrophobicContact CD2-CD1 4.26Å; F49-I331 HydrophobicContact CD2-CG2 3.95Å; F49-I331 HydrophobicContact CE2-CG2 3.85Å; F49-F335 HydrophobicContact CE2-CD2 4.37Å; F49-F335 AromaticContact CZ-CD2 3.74Å; F49-F335 HydrophobicContact CZ-CD2 3.74Å; F49-F335 HydrophobicContact CZ-CE2 4.16Å
50	V	97.2	Very high	96.2	Very high	18 Å²	18	24.8 Å²	24.8	11%	0.109	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-45.8	172.1	179.1	0	0	0	0	111.8	L38 K46 S47 Q52 M53 R54 Y186 I197 D199	L38-V50 HydrophobicContact CD1-CG2 3.65Å; K46-V50 PolarHBondContact O-N 3.3Å; S47-V50 PolarHBondContact O-N 3.21Å; V50-Q52 PolarHBondContact O-N 3.15Å; V50-M53 PolarHBondContact O-N 2.87Å; V50-M53 VanDerWaalsContact O-N 3.12Å; V50-R54 PolarHBondContact O-N 3.15Å; V50-Y186 HydrophobicContact CG1-CD1 4.28Å; V50-Y186 HydrophobicContact CG1-CG 3.89Å; V50-I197 HydrophobicContact CG2-CG2 3.85Å; V50-D199 HydrophobicContact CG2-CB 3.73Å
51	K	97.4	Very high	96.1	Very high	31 Å²	31	25.9 Å²	25.9	14%	0.135	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-37.2	176.2	-66.5	172.1	-177.8	176.6	0	111.4	S47 T48 F49 R54 I55 Y61 I173 L174 V176	S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.34Å; S47-K51 PolarHBondContact O-N 2.91Å; T48-K51 WeakPolarHBondContact O-CB 3.5Å; T48-K51 PolarHBondContact O-N 3.49Å; F49-K51 PolarHBondContact O-N 2.58Å; K51-R54 WeakPolarHBondContact O-CB 3.3Å; K51-R54 PolarHBondContact O-N 3.36Å; K51-I55 VanDerWaalsContact O-CG1 3.31Å; K51-I55 WeakPolarHBondContact O-CG1 3.39Å; K51-I55 PolarHBondContact O-N 2.83Å; K51-Y61 WeakPolarHBondContact CB-OH 3.34Å; K51-Y61 VanDerWaalsContact CG-OH 3.28Å; K51-Y61 WeakPolarHBondContact CG-OH 3.4Å; K51-I173 HydrophobicContact CD-CG2 4.3Å; K51-I173 WeakPolarHBondContact CD-O 3.4Å; K51-I173 WeakPolarHBondContact CE-O 3.28Å; K51-I173 PolarHBondContact NZ-O 3.35Å; K51-L174 HydrophobicContact CB-CD2 3.89Å; K51-V176 PolarHBondContact NZ-O 3.35Å
52	Q	97.8	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-42.1	174.7	-71.4	-73.4	25.2	0	0	112.2	T48 F49 V50 R54 I55 I56 L174 A325 T328 I331	T48-Q52 WeakPolarHBondContact O-CG 3.36Å; T48-Q52 PolarHBondContact O-N 3.1Å; F49-Q52 WeakPolarHBondContact O-CB 3.4Å; F49-Q52 PolarHBondContact O-N 3.23Å; F49-Q52 VanDerWaalsContact O-N 3.14Å; V50-Q52 PolarHBondContact O-N 3.15Å; Q52-R54 PolarHBondContact O-N 3.37Å; Q52-I55 CarbonylContact O-C 3.45Å; Q52-I55 PolarHBondContact O-N 2.92Å; Q52-I56 HydrophobicContact CB-CD1 4.16Å; Q52-I56 WeakPolarHBondContact O-CB 3.46Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.37Å; Q52-I56 PolarHBondContact O-N 2.75Å; Q52-L174 HydrophobicContact CG-CD2 3.69Å; Q52-A325 WeakPolarHBondContact CG-O 3.39Å; Q52-A325 PolarHBondContact NE2-O 2.97Å; Q52-T328 PolarHBondContact NE2-OG1 3.47Å; Q52-T328 PolarHBondContact OE1-OG1 2.79Å; Q52-T328 VanDerWaalsContact OE1-OG1 3.09Å; Q52-I331 HydrophobicContact CB-CB 4.43Å; Q52-I331 HydrophobicContact CB-CG2 3.79Å; Q52-I331 HydrophobicContact CG-CB 4.37Å; Q52-I331 HydrophobicContact CG-CG1 4.21Å; Q52-I331 HydrophobicContact CG-CG2 4.22Å
53	M	96.4	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-36.8	176.1	-63.9	-71.1	104.9	0	0	111.3	F49 V50 I56 H57 G58 Y186 F188 I197 I331 F335	F49-M53 HydrophobicContact CD1-CG 4.4Å; F49-M53 HydrophobicContact CE1-CG 4.05Å; F49-M53 HydrophobicContact CE1-SD 4.41Å; F49-M53 HydrophobicContact CE2-CE 3.82Å; F49-M53 HydrophobicContact CE2-CG 4.48Å; F49-M53 HydrophobicContact CE2-SD 4.37Å; F49-M53 HydrophobicContact CZ-CE 4Å; F49-M53 HydrophobicContact CZ-CG 4.09Å; F49-M53 HydrophobicContact CZ-SD 3.94Å; F49-M53 WeakPolarHBondContact O-CG 3.23Å; F49-M53 PolarHBondContact O-N 3.47Å; V50-M53 PolarHBondContact O-N 2.87Å; V50-M53 VanDerWaalsContact O-N 3.12Å; M53-I56 HydrophobicContact CE-CD1 4.15Å; M53-H57 WeakPolarHBondContact O-CA 3.41Å; M53-H57 WeakPolarHBondContact O-CB 3.1Å; M53-H57 PolarHBondContact O-N 3.4Å; M53-G58 PolarHBondContact O-N 2.8Å; M53-Y186 HydrophobicContact CB-CD1 4.37Å; M53-Y186 HydrophobicContact CB-CE1 4.31Å; M53-F188 HydrophobicContact CB-CD1 4.4Å; M53-F188 HydrophobicContact CB-CE1 4.06Å; M53-F188 HydrophobicContact CG-CE1 4.38Å; M53-F188 HydrophobicContact SD-CE1 4.32Å; M53-F188 HydrophobicContact SD-CZ 3.95Å; M53-I197 HydrophobicContact CB-CD1 3.9Å; M53-I197 HydrophobicContact CG-CD1 3.38Å; M53-I197 HydrophobicContact SD-CD1 4.1Å; M53-I331 HydrophobicContact CE-CG2 3.67Å; M53-F335 HydrophobicContact CE-CB 3.97Å; M53-F335 HydrophobicContact CE-CD1 4.18Å; M53-F335 HydrophobicContact CE-CD2 4.05Å; M53-F335 HydrophobicContact CE-CG 3.78Å; M53-F335 HydrophobicContact SD-CD1 3.94Å; M53-F335 HydrophobicContact SD-CD2 3.73Å; M53-F335 HydrophobicContact SD-CE1 3.96Å; M53-F335 HydrophobicContact SD-CE2 3.75Å; M53-F335 HydrophobicContact SD-CG 3.82Å; M53-F335 HydrophobicContact SD-CZ 3.88Å
54	R	96	Very high	96.3	Very high	60 Å²	60	39.1 Å²	39.1	23%	0.226	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-36.1	171.5	179.1	172.4	171.7	168.5	8.8	114.2	V50 K51 Q52 G58 G60 Y61 E65 Y186	V50-R54 PolarHBondContact O-N 3.15Å; K51-R54 WeakPolarHBondContact O-CB 3.3Å; K51-R54 PolarHBondContact O-N 3.36Å; Q52-R54 PolarHBondContact O-N 3.37Å; R54-G58 CarbonylContact O-C 3.59Å; R54-G58 WeakPolarHBondContact O-CA 3.5Å; R54-G58 PolarHBondContact O-N 2.84Å; R54-G60 VanDerWaalsContact CZ-O 3.3Å; R54-G60 PolarHBondContact NE-O 2.91Å; R54-G60 PolarHBondContact NH2-O 2.89Å; R54-G60 WeakPolarHBondContact O-CA 3.3Å; R54-G60 PolarHBondContact O-N 3.01Å; R54-Y61 HydrophobicContact CG-CE2 4.4Å; R54-Y61 VanDerWaalsContact CZ-CE1 3.49Å; R54-E65 IonicContact CZ-OE1 3.15Å; R54-E65 IonicContact NH1-OE1 3.54Å; R54-E65 PolarHBondContact NH1-OE1 3.46Å; R54-E65 IonicContact NH2-OE1 2.69Å; R54-E65 PolarHBondContact NH2-OE1 3.44Å; R54-E65 IonicContact NH2-OE2 3.38Å; R54-E65 PolarHBondContact NH2-OE2 3.19Å; R54-Y186 VanDerWaalsContact CA-OH 3.29Å; R54-Y186 WeakPolarHBondContact CA-OH 3.49Å; R54-Y186 HydrophobicContact CB-CE1 3.96Å; R54-Y186 HydrophobicContact CB-CE2 4.01Å; R54-Y186 WeakPolarHBondContact CB-OH 3.34Å; R54-Y186 HydrophobicContact CG-CE2 4.13Å
55	I	96.6	Very high	96.3	Very high	33 Å²	33	42.1 Å²	42.1	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-76	-41.6	177.2	-69.4	163.4	0	0	0	111.7	K51 Q52 Y61 L170 L174 T328	K51-I55 VanDerWaalsContact O-CG1 3.31Å; K51-I55 WeakPolarHBondContact O-CG1 3.39Å; K51-I55 PolarHBondContact O-N 2.83Å; Q52-I55 CarbonylContact O-C 3.45Å; Q52-I55 PolarHBondContact O-N 2.92Å; I55-Y61 HydrophobicContact CD1-CE2 4.07Å; I55-Y61 HydrophobicContact CG1-CD2 4.12Å; I55-Y61 HydrophobicContact CG1-CE2 3.79Å; I55-L170 HydrophobicContact CD1-CB 4.39Å; I55-L170 HydrophobicContact CD1-CD1 4.48Å; I55-L170 HydrophobicContact CD1-CD2 4.18Å; I55-L170 HydrophobicContact CG1-CD2 4.24Å; I55-L170 HydrophobicContact CG2-CD1 4.17Å; I55-L174 HydrophobicContact CD1-CD1 4.21Å; I55-L174 HydrophobicContact CD1-CD2 3.99Å; I55-L174 HydrophobicContact CD1-CG 4.09Å; I55-T328 HydrophobicContact CG2-CG2 4.34Å
56	I	95.9	Very high	96.3	Very high	22 Å²	22	43.8 Å²	43.8	11%	0.113	24%	0.242	C	C	.	.	H	α-helix	trans	-84.1	-40.3	-170	-65.8	169.7	0	0	0	111.4	Q52 M53 T328 I331 R332	Q52-I56 HydrophobicContact CB-CD1 4.16Å; Q52-I56 WeakPolarHBondContact O-CB 3.46Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.37Å; Q52-I56 PolarHBondContact O-N 2.75Å; M53-I56 HydrophobicContact CE-CD1 4.15Å; I56-T328 HydrophobicContact CD1-CG2 4.07Å; I56-T328 HydrophobicContact CG1-CG2 3.79Å; I56-I331 HydrophobicContact CD1-CB 4.22Å; I56-I331 HydrophobicContact CD1-CG2 3.82Å; I56-R332 HydrophobicContact CD1-CB 4.34Å; I56-R332 HydrophobicContact CG2-CG 4.43Å
57	H	93.7	Very high	96.3	Very high	54 Å²	54	47.7 Å²	47.7	25%	0.25	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-11.4	-173.6	-60.1	-61	0	0	0	113.8	M53 F188 F335	M53-H57 WeakPolarHBondContact O-CA 3.41Å; M53-H57 WeakPolarHBondContact O-CB 3.1Å; M53-H57 PolarHBondContact O-N 3.4Å; H57-F188 HydrophobicContact CB-CB 4.41Å; H57-F188 HydrophobicContact CB-CD2 3.43Å; H57-F188 VanDerWaalsContact CB-CD2 3.43Å; H57-F188 HydrophobicContact CB-CE2 3.87Å; H57-F188 HydrophobicContact CB-CG 4.07Å; H57-F188 AromaticContact CD2-CE2 3.73Å; H57-F188 AromaticContact CG-CD2 3.96Å; H57-F188 AromaticContact CG-CE2 3.88Å; H57-F335 AromaticContact CD2-CD1 3.95Å; H57-F335 AromaticContact CD2-CE1 3.93Å; H57-F335 AromaticContact NE2-CD1 3.24Å; H57-F335 WeakPolarHBondContact NE2-CD1 3.37Å; H57-F335 AromaticContact NE2-CE1 3.56Å
58	G	91.3	Very high	96.1	Very high	30 Å²	30	49.8 Å²	49.8	31%	0.309	28%	0.279	S	S	.	.	S	Bend	trans	-100.6	-167.2	176	0	0	0	0	0	113.2	M53 R54 G60	M53-G58 PolarHBondContact O-N 2.8Å; R54-G58 CarbonylContact O-C 3.59Å; R54-G58 WeakPolarHBondContact O-CA 3.5Å; R54-G58 PolarHBondContact O-N 2.84Å; G58-G60 PolarHBondContact O-N 2.77Å
59	A	91.1	Very high	96.1	Very high	106 Å²	106	50.2 Å²	50.2	88%	0.876	28%	0.279	S	S	*	.			trans	-78.9	5.4	176.6	0	0	0	0	0	113.8
60	G	94.5	Very high	96	Very high	12 Å²	12	51.7 Å²	51.7	12%	0.124	29%	0.286	C	S	.	.			trans	63	-141.4	-171.2	0	0	0	0	0	112.2	R54 G58	R54-G60 VanDerWaalsContact CZ-O 3.3Å; R54-G60 PolarHBondContact NE-O 2.91Å; R54-G60 PolarHBondContact NH2-O 2.89Å; R54-G60 WeakPolarHBondContact O-CA 3.3Å; R54-G60 PolarHBondContact O-N 3.01Å; G58-G60 PolarHBondContact O-N 2.77Å
61	Y	97.2	Very high	95.8	Very high	23 Å²	23	54.1 Å²	54.1	9%	0.09	30%	0.301	C	S	.	.			trans	-124.2	126.1	-178.8	-63.4	-89.9	0	0	0	110.1	K51 R54 I55 E65 K66 F69 L170 I173	K51-Y61 WeakPolarHBondContact CB-OH 3.34Å; K51-Y61 VanDerWaalsContact CG-OH 3.28Å; K51-Y61 WeakPolarHBondContact CG-OH 3.4Å; R54-Y61 HydrophobicContact CG-CE2 4.4Å; R54-Y61 VanDerWaalsContact CZ-CE1 3.49Å; I55-Y61 HydrophobicContact CD1-CE2 4.07Å; I55-Y61 HydrophobicContact CG1-CD2 4.12Å; I55-Y61 HydrophobicContact CG1-CE2 3.79Å; Y61-E65 HydrophobicContact CD1-CB 4.4Å; Y61-K66 WeakPolarHBondContact O-CE 3.48Å; Y61-F69 AromaticContact CD1-CE2 3.89Å; Y61-F69 HydrophobicContact CD1-CE2 3.89Å; Y61-F69 AromaticContact CE1-CE2 3.81Å; Y61-F69 HydrophobicContact CE1-CE2 3.81Å; Y61-F69 HydrophobicContact CE1-CZ 4.09Å; Y61-L170 HydrophobicContact CD2-CD2 3.77Å; Y61-I173 HydrophobicContact CD1-CD1 4.35Å; Y61-I173 HydrophobicContact CD2-CD1 4.24Å; Y61-I173 HydrophobicContact CD2-CG2 4.32Å; Y61-I173 HydrophobicContact CE1-CG2 4.08Å; Y61-I173 HydrophobicContact CE2-CG2 3.87Å; Y61-I173 HydrophobicContact CG-CD1 4Å
62	T	97.3	Very high	95.7	Very high	78 Å²	78	54.9 Å²	54.9	48%	0.479	31%	0.306	S	S	.	.			trans	-71.1	160.3	171.1	62.4	0	0	0	0	110.7	K64 E65 K66	T62-K64 PolarHBondContact O-N 3.42Å; T62-E65 PolarHBondContact N-OE2 3.08Å; T62-E65 WeakPolarHBondContact O-CB 3.35Å; T62-E65 PolarHBondContact O-N 3.48Å; T62-E65 VanDerWaalsContact OG1-CG 3.28Å; T62-E65 WeakPolarHBondContact OG1-CG 3.42Å; T62-E65 PolarHBondContact OG1-N 3.06Å; T62-E65 PolarHBondContact OG1-OE2 3Å; T62-K66 WeakPolarHBondContact O-CG 3.29Å; T62-K66 PolarHBondContact O-N 3.03Å
63	D	97.4	Very high	95.7	Very high	97 Å²	97	54.9 Å²	54.9	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-32.9	-179.9	-64.6	-19	0	0	0	112.5	E65 K66 E67 L167	D63-E65 VanDerWaalsContact C-N 3.3Å; D63-E65 PolarHBondContact O-N 3.31Å; D63-K66 PolarHBondContact O-N 3.45Å; D63-K66 IonicContact OD1-NZ 3.65Å; D63-K66 PolarHBondContact OD1-NZ 2.97Å; D63-E67 PolarHBondContact O-N 3.24Å; D63-L167 HydrophobicContact CB-CD2 4.2Å
64	K	96.8	Very high	95.7	Very high	184 Å²	184	55.8 Å²	55.8	80%	0.8	31%	0.309	S	S	*	.	H	α-helix	trans	-60.5	-38.6	171.4	-175	179.2	179	-178.8	0	112.5	T62 A68	T62-K64 PolarHBondContact O-N 3.42Å; K64-A68 PolarHBondContact O-N 2.71Å
65	E	96.8	Very high	95.8	Very high	64 Å²	64	55.5 Å²	55.5	30%	0.299	31%	0.311	S	S	.	.	H	α-helix	trans	-75.6	-37.7	177.5	-68.2	169.8	120.2	0	0	111.8	R54 Y61 T62 D63 E67 A68 F69	R54-E65 IonicContact CZ-OE1 3.15Å; R54-E65 IonicContact NH1-OE1 3.54Å; R54-E65 PolarHBondContact NH1-OE1 3.46Å; R54-E65 IonicContact NH2-OE1 2.69Å; R54-E65 PolarHBondContact NH2-OE1 3.44Å; R54-E65 IonicContact NH2-OE2 3.38Å; R54-E65 PolarHBondContact NH2-OE2 3.19Å; Y61-E65 HydrophobicContact CD1-CB 4.4Å; T62-E65 PolarHBondContact N-OE2 3.08Å; T62-E65 WeakPolarHBondContact O-CB 3.35Å; T62-E65 PolarHBondContact O-N 3.48Å; T62-E65 VanDerWaalsContact OG1-CG 3.28Å; T62-E65 WeakPolarHBondContact OG1-CG 3.42Å; T62-E65 PolarHBondContact OG1-N 3.06Å; T62-E65 PolarHBondContact OG1-OE2 3Å; D63-E65 VanDerWaalsContact C-N 3.3Å; D63-E65 PolarHBondContact O-N 3.31Å; E65-E67 VanDerWaalsContact C-N 3.29Å; E65-E67 PolarHBondContact O-N 3.04Å; E65-A68 WeakPolarHBondContact O-CB 3.3Å; E65-A68 PolarHBondContact O-N 2.75Å; E65-F69 WeakPolarHBondContact O-CD2 3.13Å
66	K	98.3	Very high	95.8	Very high	44 Å²	44	54.9 Å²	54.9	19%	0.191	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-43.6	172.1	-66	174.4	-170.7	160.2	0	110.6	Y61 T62 D63 A68 F69 L167 P168 I173	Y61-K66 WeakPolarHBondContact O-CE 3.48Å; T62-K66 WeakPolarHBondContact O-CG 3.29Å; T62-K66 PolarHBondContact O-N 3.03Å; D63-K66 PolarHBondContact O-N 3.45Å; D63-K66 IonicContact OD1-NZ 3.65Å; D63-K66 PolarHBondContact OD1-NZ 2.97Å; K66-A68 VanDerWaalsContact C-N 3.26Å; K66-A68 PolarHBondContact O-N 2.85Å; K66-F69 WeakPolarHBondContact O-CB 3.4Å; K66-F69 PolarHBondContact O-N 3.36Å; K66-L167 HydrophobicContact CB-CD1 3.71Å; K66-L167 HydrophobicContact CB-CG 4.01Å; K66-L167 HydrophobicContact CD-CD2 3.97Å; K66-L167 HydrophobicContact CD-CG 4.1Å; K66-P168 WeakPolarHBondContact CD-O 3.29Å; K66-P168 WeakPolarHBondContact O-CD 3.44Å; K66-P168 WeakPolarHBondContact O-CG 3.47Å; K66-I173 HydrophobicContact CB-CD1 4.4Å; K66-I173 HydrophobicContact CG-CD1 3.82Å
67	E	96.6	Very high	95.9	Very high	91 Å²	91	53.9 Å²	53.9	43%	0.425	30%	0.302	S	S	.	.	H	α-helix	trans	-57.1	-39.9	178	-166.7	61.9	-153.1	0	0	112.1	D63 E65 F69 K70 L167	D63-E67 PolarHBondContact O-N 3.24Å; E65-E67 VanDerWaalsContact C-N 3.29Å; E65-E67 PolarHBondContact O-N 3.04Å; E67-F69 PolarHBondContact O-N 3.01Å; E67-F69 VanDerWaalsContact O-N 3.17Å; E67-K70 WeakPolarHBondContact O-CB 3.45Å; E67-K70 PolarHBondContact O-N 2.98Å; E67-K70 WeakPolarHBondContact OE1-CD 3.31Å; E67-K70 IonicContact OE1-NZ 3.41Å; E67-L167 HydrophobicContact CB-CD1 4.49Å; E67-L167 WeakPolarHBondContact OE2-CD1 3.27Å
68	A	94.4	Very high	96.1	Very high	71 Å²	71	51.3 Å²	51.3	59%	0.587	29%	0.29	S	S	*	.	H	α-helix	trans	-63.5	-21.6	177	0	0	0	0	0	113.6	K64 E65 K66	K64-A68 PolarHBondContact O-N 2.71Å; E65-A68 WeakPolarHBondContact O-CB 3.3Å; E65-A68 PolarHBondContact O-N 2.75Å; K66-A68 VanDerWaalsContact C-N 3.26Å; K66-A68 PolarHBondContact O-N 2.85Å
69	F	96.7	Very high	96.4	Very high	36 Å²	36	54 Å²	54	16%	0.158	30%	0.297	C	S	.	.	H	α-helix	trans	-80.2	-13.1	174.5	-75.7	-77.4	0	0	0	113.7	Y61 E65 K66 E67 T71 L72 V73 P168 I173 V176	Y61-F69 AromaticContact CD1-CE2 3.89Å; Y61-F69 HydrophobicContact CD1-CE2 3.89Å; Y61-F69 AromaticContact CE1-CE2 3.81Å; Y61-F69 HydrophobicContact CE1-CE2 3.81Å; Y61-F69 HydrophobicContact CE1-CZ 4.09Å; E65-F69 WeakPolarHBondContact O-CD2 3.13Å; K66-F69 WeakPolarHBondContact O-CB 3.4Å; K66-F69 PolarHBondContact O-N 3.36Å; E67-F69 PolarHBondContact O-N 3.01Å; E67-F69 VanDerWaalsContact O-N 3.17Å; F69-T71 PolarHBondContact O-N 3.2Å; F69-L72 HydrophobicContact CD1-CD1 3.74Å; F69-L72 HydrophobicContact CE1-CD1 4.12Å; F69-L72 PolarHBondContact O-N 3.13Å; F69-L72 VanDerWaalsContact O-N 3.17Å; F69-V73 WeakPolarHBondContact O-CG2 3.44Å; F69-V73 PolarHBondContact O-N 2.96Å; F69-P168 HydrophobicContact CB-CB 4.2Å; F69-P168 HydrophobicContact CB-CG 4.12Å; F69-I173 HydrophobicContact CB-CG1 4.2Å; F69-I173 HydrophobicContact CD1-CG1 4.48Å; F69-I173 HydrophobicContact CD2-CD1 3.79Å; F69-I173 HydrophobicContact CD2-CG1 3.73Å; F69-I173 HydrophobicContact CD2-CG2 4.3Å; F69-I173 HydrophobicContact CE1-CG2 4.22Å; F69-I173 HydrophobicContact CE2-CD1 4.17Å; F69-I173 HydrophobicContact CE2-CG1 4.21Å; F69-I173 HydrophobicContact CE2-CG2 3.95Å; F69-I173 HydrophobicContact CG-CD1 4.43Å; F69-I173 HydrophobicContact CG-CG1 3.89Å; F69-I173 HydrophobicContact CZ-CG2 3.9Å; F69-V176 HydrophobicContact CD1-CG1 3.64Å; F69-V176 HydrophobicContact CE1-CG1 3.85Å
70	K	95.9	Very high	96.7	Very high	32 Å²	32	49 Å²	49	14%	0.139	26%	0.256	C	S	.	.	H	α-helix	trans	-57.6	-51.3	-176.5	-171.7	167.7	-174.7	162	0	111.8	E67 L72 V73 Y74 P164 Y166 P168	E67-K70 WeakPolarHBondContact O-CB 3.45Å; E67-K70 PolarHBondContact O-N 2.98Å; E67-K70 WeakPolarHBondContact OE1-CD 3.31Å; E67-K70 IonicContact OE1-NZ 3.41Å; K70-L72 VanDerWaalsContact C-N 3.32Å; K70-L72 PolarHBondContact O-N 2.76Å; K70-V73 PolarHBondContact O-N 3.13Å; K70-Y74 HydrophobicContact CD-CE2 4.34Å; K70-Y74 WeakPolarHBondContact CE-OH 3.41Å; K70-Y74 HydrophobicContact CG-CD2 4.35Å; K70-Y74 HydrophobicContact CG-CE1 4.2Å; K70-Y74 HydrophobicContact CG-CE2 3.61Å; K70-Y74 VanDerWaalsContact O-CG 3.3Å; K70-Y74 PolarHBondContact O-N 3.22Å; K70-P164 PolarHBondContact NZ-O 3.35Å; K70-Y166 HydrophobicContact CD-CD1 4.36Å; K70-Y166 WeakPolarHBondContact CE-O 3.3Å; K70-Y166 HydrophobicContact CG-CD1 4.03Å; K70-Y166 HydrophobicContact CG-CE1 4.24Å; K70-Y166 PolarHBondContact NZ-O 3.49Å; K70-P168 HydrophobicContact CB-CG 4.28Å
71	T	94.2	Very high	96.9	Very high	69 Å²	69	48.5 Å²	48.5	42%	0.423	25%	0.251	S	S	.	.	H	α-helix	trans	-60.8	-40	176.9	-52	0	0	0	0	112.2	F69 Y74 Q75	F69-T71 PolarHBondContact O-N 3.2Å; T71-Y74 PolarHBondContact O-N 3.11Å; T71-Q75 WeakPolarHBondContact O-CB 3.43Å; T71-Q75 WeakPolarHBondContact O-CG 3.24Å; T71-Q75 PolarHBondContact O-N 3.26Å
72	L	95.4	Very high	96.9	Very high	46 Å²	46	49 Å²	49	24%	0.241	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-39.2	178.8	-63	175.9	0	0	0	112.1	F69 K70 Q75 N76 V176 V178	F69-L72 HydrophobicContact CD1-CD1 3.74Å; F69-L72 HydrophobicContact CE1-CD1 4.12Å; F69-L72 PolarHBondContact O-N 3.13Å; F69-L72 VanDerWaalsContact O-N 3.17Å; K70-L72 VanDerWaalsContact C-N 3.32Å; K70-L72 PolarHBondContact O-N 2.76Å; L72-Q75 PolarHBondContact O-N 3.43Å; L72-N76 WeakPolarHBondContact O-CB 3.19Å; L72-N76 PolarHBondContact O-N 3.17Å; L72-N76 PolarHBondContact O-ND2 3.1Å; L72-V176 HydrophobicContact CB-CG2 3.63Å; L72-V178 HydrophobicContact CD1-CG2 4.01Å; L72-V178 HydrophobicContact CD2-CG2 4.07Å
73	V	97.3	Very high	97	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-45.2	174.2	170.5	0	0	0	0	110.1	F69 K70 N76 I77 Y154 I161 Y166 D172 V176	F69-V73 WeakPolarHBondContact O-CG2 3.44Å; F69-V73 PolarHBondContact O-N 2.96Å; K70-V73 PolarHBondContact O-N 3.13Å; V73-N76 WeakPolarHBondContact O-CB 3.31Å; V73-N76 PolarHBondContact O-N 2.94Å; V73-I77 HydrophobicContact CG1-CD1 3.94Å; V73-I77 WeakPolarHBondContact O-CG1 3.45Å; V73-I77 PolarHBondContact O-N 3.34Å; V73-Y154 HydrophobicContact CG1-CD1 4.01Å; V73-Y154 HydrophobicContact CG1-CE1 3.79Å; V73-Y154 HydrophobicContact CG2-CE1 4.24Å; V73-I161 HydrophobicContact CG1-CD1 4.47Å; V73-I161 HydrophobicContact CG1-CG2 3.96Å; V73-Y166 HydrophobicContact CG1-CE1 4.42Å; V73-D172 HydrophobicContact CG2-CB 4.26Å; V73-V176 HydrophobicContact CG2-CB 4.4Å; V73-V176 HydrophobicContact CG2-CG2 4.23Å
74	Y	97	Very high	97	Very high	19 Å²	19	42.6 Å²	42.6	8%	0.075	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-45.2	177.3	-60.5	-16	0	0	0	111.8	K70 T71 N76 I77 F78 L118 I161 Y166	K70-Y74 HydrophobicContact CD-CE2 4.34Å; K70-Y74 WeakPolarHBondContact CE-OH 3.41Å; K70-Y74 HydrophobicContact CG-CD2 4.35Å; K70-Y74 HydrophobicContact CG-CE1 4.2Å; K70-Y74 HydrophobicContact CG-CE2 3.61Å; K70-Y74 VanDerWaalsContact O-CG 3.3Å; K70-Y74 PolarHBondContact O-N 3.22Å; T71-Y74 PolarHBondContact O-N 3.11Å; Y74-N76 VanDerWaalsContact C-N 3.3Å; Y74-N76 PolarHBondContact O-N 2.87Å; Y74-I77 PolarHBondContact O-N 3.5Å; Y74-I77 VanDerWaalsContact O-N 3.13Å; Y74-F78 WeakPolarHBondContact O-CD2 3.35Å; Y74-F78 PolarHBondContact O-N 2.92Å; Y74-L118 HydrophobicContact CD1-CD1 3.73Å; Y74-L118 HydrophobicContact CD1-CG 4.04Å; Y74-L118 HydrophobicContact CD2-CG 4.14Å; Y74-L118 HydrophobicContact CE1-CD1 3.32Å; Y74-L118 HydrophobicContact CE1-CG 3.97Å; Y74-L118 HydrophobicContact CE2-CD1 4.16Å; Y74-L118 HydrophobicContact CE2-CG 4.05Å; Y74-L118 HydrophobicContact CG-CD1 4.31Å; Y74-L118 HydrophobicContact CG-CG 4.12Å; Y74-I161 HydrophobicContact CD1-CG2 4.06Å; Y74-I161 HydrophobicContact CE1-CG2 3.65Å; Y74-I161 PolarHBondContact OH-O 2.97Å; Y74-Y166 AromaticContact CE1-CD1 3.93Å; Y74-Y166 HydrophobicContact CE1-CD1 3.93Å; Y74-Y166 HydrophobicContact CE1-CE1 4.03Å
75	Q	96.4	Very high	97.1	Very high	55 Å²	55	33.8 Å²	33.8	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-53.7	-45.5	172.3	-80.1	174.3	-21.3	0	0	112.2	T71 L72 I77 F78 L79 L112 I116	T71-Q75 WeakPolarHBondContact O-CB 3.43Å; T71-Q75 WeakPolarHBondContact O-CG 3.24Å; T71-Q75 PolarHBondContact O-N 3.26Å; L72-Q75 PolarHBondContact O-N 3.43Å; Q75-I77 VanDerWaalsContact C-N 3.34Å; Q75-I77 PolarHBondContact O-N 3.37Å; Q75-F78 PolarHBondContact O-N 2.91Å; Q75-L79 VanDerWaalsContact O-CB 3.24Å; Q75-L79 WeakPolarHBondContact O-CB 3.36Å; Q75-L79 PolarHBondContact O-N 3.25Å; Q75-L112 PolarHBondContact NE2-O 2.97Å; Q75-L112 VanDerWaalsContact NE2-O 3.11Å; Q75-I116 HydrophobicContact CB-CD1 4.11Å; Q75-I116 HydrophobicContact CG-CD1 3.27Å; Q75-I116 HydrophobicContact CG-CG1 4.02Å
76	N	97.4	Very high	97.1	Very high	19 Å²	19	32.1 Å²	32.1	10%	0.102	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-39.6	178.3	-88.5	-121.1	0	0	0	112.1	L72 V73 Y74 A80 Y154 R177	L72-N76 WeakPolarHBondContact O-CB 3.19Å; L72-N76 PolarHBondContact O-N 3.17Å; L72-N76 PolarHBondContact O-ND2 3.1Å; V73-N76 WeakPolarHBondContact O-CB 3.31Å; V73-N76 PolarHBondContact O-N 2.94Å; Y74-N76 VanDerWaalsContact C-N 3.3Å; Y74-N76 PolarHBondContact O-N 2.87Å; N76-A80 WeakPolarHBondContact O-CB 3.47Å; N76-A80 PolarHBondContact O-N 2.98Å; N76-Y154 HydrophobicContact CB-CE2 4.18Å; N76-R177 PolarHBondContact ND2-O 3.07Å; N76-R177 WeakPolarHBondContact OD1-CB 3.41Å; N76-R177 PolarHBondContact OD1-N 3.03Å
77	I	98.2	Very high	97.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-49.4	177.2	-69.6	162.7	0	0	0	111	V73 Y74 Q75 L79 A80 M81 I126 Y154 L155 F158 I161	V73-I77 HydrophobicContact CG1-CD1 3.94Å; V73-I77 WeakPolarHBondContact O-CG1 3.45Å; V73-I77 PolarHBondContact O-N 3.34Å; Y74-I77 PolarHBondContact O-N 3.5Å; Y74-I77 VanDerWaalsContact O-N 3.13Å; Q75-I77 VanDerWaalsContact C-N 3.34Å; Q75-I77 PolarHBondContact O-N 3.37Å; I77-L79 PolarHBondContact O-N 2.95Å; I77-A80 WeakPolarHBondContact O-CB 3.45Å; I77-A80 PolarHBondContact O-N 2.73Å; I77-M81 WeakPolarHBondContact O-CG 3.26Å; I77-M81 PolarHBondContact O-N 3.22Å; I77-I126 HydrophobicContact CG2-CD1 3.91Å; I77-Y154 HydrophobicContact CD1-CG 4.49Å; I77-Y154 HydrophobicContact CG1-CG 4.11Å; I77-L155 HydrophobicContact CG2-CD2 4.25Å; I77-F158 HydrophobicContact CD1-CD2 4.15Å; I77-F158 HydrophobicContact CD1-CE2 4.4Å; I77-F158 HydrophobicContact CG2-CD2 4.27Å; I77-F158 HydrophobicContact CG2-CE2 4.12Å; I77-I161 HydrophobicContact CD1-CD1 4.24Å; I77-I161 HydrophobicContact CD1-CG2 3.72Å
78	F	97.8	Very high	97.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-41.7	179.7	-75.6	-67.2	0	0	0	111.8	Y74 Q75 A80 M81 Q82 I107 I110 L112 I116 L118 R122 I126	Y74-F78 WeakPolarHBondContact O-CD2 3.35Å; Y74-F78 PolarHBondContact O-N 2.92Å; Q75-F78 PolarHBondContact O-N 2.91Å; F78-A80 VanDerWaalsContact C-N 3.35Å; F78-A80 PolarHBondContact O-N 2.89Å; F78-M81 PolarHBondContact O-N 2.8Å; F78-Q82 WeakPolarHBondContact O-CB 3.28Å; F78-Q82 WeakPolarHBondContact O-CG 3.32Å; F78-Q82 PolarHBondContact O-N 2.89Å; F78-I107 HydrophobicContact CD1-CD1 4.08Å; F78-I107 HydrophobicContact CE1-CD1 3.83Å; F78-I110 HydrophobicContact CD1-CD1 3.42Å; F78-I110 VanDerWaalsContact CD1-CD1 3.42Å; F78-I110 HydrophobicContact CE1-CD1 3.23Å; F78-I110 HydrophobicContact CG-CD1 4.33Å; F78-I110 HydrophobicContact CZ-CD1 4.03Å; F78-L112 HydrophobicContact CB-CD2 3.49Å; F78-L112 VanDerWaalsContact CB-CD2 3.49Å; F78-I116 HydrophobicContact CD2-CD1 4.29Å; F78-I116 HydrophobicContact CD2-CG2 3.26Å; F78-I116 HydrophobicContact CE2-CG2 3.21Å; F78-I116 HydrophobicContact CG-CG2 4.48Å; F78-I116 HydrophobicContact CZ-CG2 4.4Å; F78-L118 HydrophobicContact CE2-CD2 3.7Å; F78-L118 HydrophobicContact CZ-CD2 3.64Å; F78-R122 HydrophobicContact CE1-CB 4.22Å; F78-R122 HydrophobicContact CE1-CG 4.39Å; F78-R122 HydrophobicContact CZ-CB 4.11Å; F78-R122 HydrophobicContact CZ-CG 4.39Å; F78-I126 HydrophobicContact CD1-CD1 4.18Å; F78-I126 HydrophobicContact CE1-CD1 3.68Å; F78-I126 HydrophobicContact CZ-CD1 4.07Å
79	L	97.2	Very high	97.3	Very high	87 Å²	87	29.5 Å²	29.5	46%	0.455	15%	0.151	S	C	.	.	H	α-helix	trans	-58.6	-46.7	173.8	-179.8	60.4	0	0	0	111.3	Q75 I77 M81 Q82 T83 L112	Q75-L79 VanDerWaalsContact O-CB 3.24Å; Q75-L79 WeakPolarHBondContact O-CB 3.36Å; Q75-L79 PolarHBondContact O-N 3.25Å; I77-L79 PolarHBondContact O-N 2.95Å; L79-M81 VanDerWaalsContact C-N 3.31Å; L79-M81 PolarHBondContact O-N 3.31Å; L79-Q82 PolarHBondContact O-N 2.82Å; L79-T83 WeakPolarHBondContact O-CB 3Å; L79-T83 PolarHBondContact O-N 2.92Å; L79-T83 PolarHBondContact O-OG1 3.46Å; L79-T83 VanDerWaalsContact O-OG1 3.05Å; L79-L112 HydrophobicContact CB-CD1 3.87Å; L79-L112 HydrophobicContact CD1-CD1 3.84Å; L79-L112 HydrophobicContact CG-CD1 4.4Å
80	A	98.3	Very high	97.3	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-44.2	176.7	0	0	0	0	0	111.8	N76 I77 F78 M84 L147 S151	N76-A80 WeakPolarHBondContact O-CB 3.47Å; N76-A80 PolarHBondContact O-N 2.98Å; I77-A80 WeakPolarHBondContact O-CB 3.45Å; I77-A80 PolarHBondContact O-N 2.73Å; F78-A80 VanDerWaalsContact C-N 3.35Å; F78-A80 PolarHBondContact O-N 2.89Å; A80-M84 WeakPolarHBondContact O-CG 3.37Å; A80-M84 PolarHBondContact O-N 3.5Å; A80-L147 HydrophobicContact CB-CD1 4.08Å; A80-S151 WeakPolarHBondContact CB-OG 3.13Å
81	M	98.4	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-44.2	178.2	-68.1	-61.1	-60.2	0	0	112.3	I77 F78 L79 M84 C85 I107 I126 L129 M135 L155	I77-M81 WeakPolarHBondContact O-CG 3.26Å; I77-M81 PolarHBondContact O-N 3.22Å; F78-M81 PolarHBondContact O-N 2.8Å; L79-M81 VanDerWaalsContact C-N 3.31Å; L79-M81 PolarHBondContact O-N 3.31Å; M81-M84 PolarHBondContact O-N 3.49Å; M81-M84 HydrophobicContact SD-CE 3.54Å; M81-M84 VanDerWaalsContact SD-CE 3.54Å; M81-C85 WeakPolarHBondContact O-CB 3.41Å; M81-C85 PolarHBondContact O-N 2.85Å; M81-C85 PolarHBondContact O-SG 2.83Å; M81-I107 HydrophobicContact CB-CG2 3.71Å; M81-I126 HydrophobicContact CG-CG1 4.27Å; M81-I126 HydrophobicContact CG-CG2 4.46Å; M81-I126 HydrophobicContact SD-CG2 4.38Å; M81-L129 HydrophobicContact CE-CB 3.46Å; M81-L129 VanDerWaalsContact CE-CB 3.46Å; M81-L129 HydrophobicContact CE-CD1 3.74Å; M81-L129 HydrophobicContact CE-CG 4.26Å; M81-M135 HydrophobicContact CE-CE 4.28Å; M81-L155 HydrophobicContact CG-CD2 4.1Å; M81-L155 HydrophobicContact SD-CD1 4.09Å; M81-L155 HydrophobicContact SD-CD2 3.55Å; M81-L155 VanDerWaalsContact SD-CD2 3.55Å; M81-L155 HydrophobicContact SD-CG 4.49Å
82	Q	98.2	Very high	97.5	Very high	35 Å²	35	35 Å²	35	16%	0.164	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-44.1	176.4	-74.1	-179.4	-20.6	0	0	111.6	F78 L79 C85 G86 I107 L108 I110	F78-Q82 WeakPolarHBondContact O-CB 3.28Å; F78-Q82 WeakPolarHBondContact O-CG 3.32Å; F78-Q82 PolarHBondContact O-N 2.89Å; L79-Q82 PolarHBondContact O-N 2.82Å; Q82-C85 PolarHBondContact O-N 2.92Å; Q82-G86 PolarHBondContact O-N 2.96Å; Q82-I107 HydrophobicContact CG-CG2 3.93Å; Q82-I107 WeakPolarHBondContact CG-O 3.29Å; Q82-I107 PolarHBondContact NE2-O 2.8Å; Q82-L108 HydrophobicContact CB-CD2 4.44Å; Q82-I110 PolarHBondContact NE2-O 2.91Å
83	T	98.3	Very high	97.6	Very high	39 Å²	39	34 Å²	34	24%	0.239	19%	0.188	C	C	.	.	H	α-helix	trans	-58.1	-50.7	174.6	-68.7	0	0	0	0	111.2	L79 C85 G86 A87 F145 Q146 L147	L79-T83 WeakPolarHBondContact O-CB 3Å; L79-T83 PolarHBondContact O-N 2.92Å; L79-T83 PolarHBondContact O-OG1 3.46Å; L79-T83 VanDerWaalsContact O-OG1 3.05Å; T83-C85 VanDerWaalsContact C-N 3.33Å; T83-C85 PolarHBondContact O-N 3.27Å; T83-G86 PolarHBondContact O-N 2.81Å; T83-A87 WeakPolarHBondContact O-CB 3.4Å; T83-A87 PolarHBondContact O-N 3.07Å; T83-F145 HydrophobicContact CG2-CD2 3.69Å; T83-F145 HydrophobicContact CG2-CE2 4.01Å; T83-Q146 VanDerWaalsContact CG2-O 3.25Å; T83-Q146 WeakPolarHBondContact CG2-O 3.45Å; T83-L147 HydrophobicContact CG2-CB 4.45Å; T83-L147 HydrophobicContact CG2-CD1 3.97Å
84	M	98.5	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-38	179.2	-68.1	-172.5	-58.6	0	0	111.8	A80 M81 G86 A87 M88 W130 M135 Y139 F145 L147 L155	A80-M84 WeakPolarHBondContact O-CG 3.37Å; A80-M84 PolarHBondContact O-N 3.5Å; M81-M84 PolarHBondContact O-N 3.49Å; M81-M84 HydrophobicContact SD-CE 3.54Å; M81-M84 VanDerWaalsContact SD-CE 3.54Å; M84-G86 PolarHBondContact O-N 2.94Å; M84-A87 PolarHBondContact O-N 2.86Å; M84-M88 WeakPolarHBondContact O-CG 3.35Å; M84-M88 PolarHBondContact O-N 3.3Å; M84-W130 HydrophobicContact CE-CE3 4.24Å; M84-W130 HydrophobicContact CE-CZ3 4.24Å; M84-W130 HydrophobicContact SD-CZ3 4.17Å; M84-M135 HydrophobicContact CB-SD 3.55Å; M84-M135 VanDerWaalsContact CB-SD 3.55Å; M84-M135 HydrophobicContact CE-CG 4.4Å; M84-M135 HydrophobicContact CE-SD 3.96Å; M84-M135 HydrophobicContact CG-SD 4.43Å; M84-M135 HydrophobicContact SD-SD 4.17Å; M84-Y139 HydrophobicContact SD-CD2 4.17Å; M84-F145 HydrophobicContact CG-CE2 4.15Å; M84-F145 HydrophobicContact CG-CZ 4.37Å; M84-L147 HydrophobicContact CG-CD1 3.83Å; M84-L147 HydrophobicContact CG-CD2 3.98Å; M84-L147 HydrophobicContact SD-CD2 4Å; M84-L155 HydrophobicContact CE-CD1 3.49Å; M84-L155 VanDerWaalsContact CE-CD1 3.49Å
85	C	98.1	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-45.1	174.5	-69.8	0	0	0	0	111.7	M81 Q82 T83 M88 M104 L108	M81-C85 WeakPolarHBondContact O-CB 3.41Å; M81-C85 PolarHBondContact O-N 2.85Å; M81-C85 PolarHBondContact O-SG 2.83Å; Q82-C85 PolarHBondContact O-N 2.92Å; T83-C85 VanDerWaalsContact C-N 3.33Å; T83-C85 PolarHBondContact O-N 3.27Å; C85-M88 PolarHBondContact O-N 3.35Å; C85-M104 VanDerWaalsContact CA-CE 3.46Å; C85-M104 HydrophobicContact CB-CE 3.69Å; C85-M104 HydrophobicContact CB-CG 3.82Å; C85-M104 WeakPolarHBondContact O-CE 3.42Å; C85-L108 HydrophobicContact CB-CD1 4.16Å; C85-L108 HydrophobicContact CB-CD2 3.8Å; C85-L108 HydrophobicContact CB-CG 3.94Å
86	G	97.5	Very high	97.7	Very high	29 Å²	29	44.8 Å²	44.8	30%	0.299	24%	0.237	S	C	.	.	H	α-helix	trans	-59.3	-46.9	172.8	0	0	0	0	0	112	Q82 T83 M84 M88 R89 T90	Q82-G86 PolarHBondContact O-N 2.96Å; T83-G86 PolarHBondContact O-N 2.81Å; M84-G86 PolarHBondContact O-N 2.94Å; G86-M88 PolarHBondContact O-N 2.86Å; G86-R89 WeakPolarHBondContact O-CB 3.23Å; G86-R89 PolarHBondContact O-N 2.95Å; G86-T90 PolarHBondContact O-N 2.93Å; G86-T90 PolarHBondContact O-OG1 3.35Å
87	A	98.1	Very high	97.7	Very high	6 Å²	6	50 Å²	50	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-38.2	-180	0	0	0	0	0	113.1	T83 M84 R89 T90 L91 F145	T83-A87 WeakPolarHBondContact O-CB 3.4Å; T83-A87 PolarHBondContact O-N 3.07Å; M84-A87 PolarHBondContact O-N 2.86Å; A87-R89 PolarHBondContact O-N 3.49Å; A87-T90 PolarHBondContact O-N 2.86Å; A87-L91 VanDerWaalsContact O-CB 3.29Å; A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.39Å; A87-L91 PolarHBondContact O-N 2.84Å; A87-F145 HydrophobicContact CB-CB 4.23Å; A87-F145 HydrophobicContact CB-CD1 3.55Å; A87-F145 HydrophobicContact CB-CD2 3.73Å; A87-F145 HydrophobicContact CB-CE1 3.66Å; A87-F145 HydrophobicContact CB-CE2 3.83Å; A87-F145 HydrophobicContact CB-CG 3.58Å; A87-F145 HydrophobicContact CB-CZ 3.8Å
88	M	98	Very high	97.5	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-56.2	-39.8	175.1	-75.4	-170.8	75.6	0	0	112	M84 C85 G86 S92 I93 L95 M104 M135 C138	M84-M88 WeakPolarHBondContact O-CG 3.35Å; M84-M88 PolarHBondContact O-N 3.3Å; C85-M88 PolarHBondContact O-N 3.35Å; G86-M88 PolarHBondContact O-N 2.86Å; M88-S92 PolarHBondContact O-N 2.9Å; M88-S92 VanDerWaalsContact O-N 3.1Å; M88-I93 HydrophobicContact CE-CB 4.33Å; M88-I93 HydrophobicContact CE-CG2 4Å; M88-I93 PolarHBondContact O-N 3.15Å; M88-L95 HydrophobicContact CE-CD2 3.69Å; M88-L95 HydrophobicContact CE-CG 4.02Å; M88-L95 HydrophobicContact SD-CD2 4.07Å; M88-M104 HydrophobicContact CB-CE 3.83Å; M88-M104 HydrophobicContact CG-CE 4.44Å; M88-M104 HydrophobicContact SD-CE 4.1Å; M88-M135 HydrophobicContact SD-CB 4.39Å; M88-M135 HydrophobicContact SD-CE 3.52Å; M88-M135 VanDerWaalsContact SD-CE 3.52Å; M88-M135 HydrophobicContact SD-SD 3.86Å; M88-C138 HydrophobicContact CG-CB 3.61Å
89	R	96.1	Very high	97.4	Very high	142 Å²	142	61.2 Å²	61.2	54%	0.536	32%	0.32	S	S	.	.	H	α-helix	trans	-67.2	-49.9	176.3	-64.5	178.9	179.6	173.7	-1.8	111.2	G86 A87 L91 S92 L108	G86-R89 WeakPolarHBondContact O-CB 3.23Å; G86-R89 PolarHBondContact O-N 2.95Å; A87-R89 PolarHBondContact O-N 3.49Å; R89-L91 VanDerWaalsContact C-N 3.32Å; R89-L91 PolarHBondContact O-N 2.77Å; R89-S92 PolarHBondContact O-N 2.69Å; R89-S92 VanDerWaalsContact O-N 3.16Å; R89-L108 VanDerWaalsContact NH2-CD1 3.29Å
90	T	96.7	Very high	97.4	Very high	117 Å²	117	57.1 Å²	57.1	72%	0.718	30%	0.299	S	S	*	.	H	α-helix	trans	-59.8	-41.7	179.5	-56.4	0	0	0	0	112.2	G86 A87 S92	G86-T90 PolarHBondContact O-N 2.93Å; G86-T90 PolarHBondContact O-OG1 3.35Å; A87-T90 PolarHBondContact O-N 2.86Å; T90-S92 VanDerWaalsContact C-N 3.28Å; T90-S92 PolarHBondContact O-N 3.48Å
91	L	97.6	Very high	97.3	Very high	29 Å²	29	60.9 Å²	60.9	15%	0.152	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.5	-178.4	-59.3	-179.1	0	0	0	113.3	A87 R89 I93 R141 E144 F145	A87-L91 VanDerWaalsContact O-CB 3.29Å; A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.39Å; A87-L91 PolarHBondContact O-N 2.84Å; R89-L91 VanDerWaalsContact C-N 3.32Å; R89-L91 PolarHBondContact O-N 2.77Å; L91-I93 HydrophobicContact CB-CD1 3.8Å; L91-I93 HydrophobicContact CB-CG1 3.82Å; L91-I93 HydrophobicContact CD1-CD1 4.03Å; L91-I93 PolarHBondContact O-N 3.14Å; L91-R141 HydrophobicContact CD1-CB 3.97Å; L91-E144 HydrophobicContact CD2-CB 4.4Å; L91-E144 WeakPolarHBondContact CD2-OE2 3.48Å; L91-F145 HydrophobicContact CD1-CD1 4.07Å; L91-F145 HydrophobicContact CD1-CE1 4.05Å
92	S	97.5	Very high	97.3	Very high	105 Å²	105	67.5 Å²	67.5	73%	0.734	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	37.3	-178	-60.5	0	0	0	0	113.7	M88 R89 T90	M88-S92 PolarHBondContact O-N 2.9Å; M88-S92 VanDerWaalsContact O-N 3.1Å; R89-S92 PolarHBondContact O-N 2.69Å; R89-S92 VanDerWaalsContact O-N 3.16Å; T90-S92 VanDerWaalsContact C-N 3.28Å; T90-S92 PolarHBondContact O-N 3.48Å
93	I	97.7	Very high	97.3	Very high	25 Å²	25	66.6 Å²	66.6	13%	0.128	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-88.1	122.7	178.4	-56	173.4	0	0	0	108.5	M88 L91 G134 M137 C138	M88-I93 HydrophobicContact CE-CB 4.33Å; M88-I93 HydrophobicContact CE-CG2 4Å; M88-I93 PolarHBondContact O-N 3.15Å; L91-I93 HydrophobicContact CB-CD1 3.8Å; L91-I93 HydrophobicContact CB-CG1 3.82Å; L91-I93 HydrophobicContact CD1-CD1 4.03Å; L91-I93 PolarHBondContact O-N 3.14Å; I93-G134 WeakPolarHBondContact CG2-O 3.25Å; I93-M137 HydrophobicContact CG2-CB 4.35Å; I93-M137 HydrophobicContact CG2-CE 4.13Å; I93-C138 HydrophobicContact CD1-CB 3.77Å
94	K	97	Very high	97.2	Very high	178 Å²	178	65 Å²	65	77%	0.774	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-81.3	143.5	178.3	-63.1	-177.3	-178.9	179.6	0	110.4	G134	K94-G134 WeakPolarHBondContact O-CA 3.31Å
95	L	97.8	Very high	97.2	Very high	29 Å²	29	68.8 Å²	68.8	15%	0.152	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-64.7	139.7	165.4	-68.3	163.7	0	0	0	109	M88 N100 Q101 L129	M88-L95 HydrophobicContact CE-CD2 3.69Å; M88-L95 HydrophobicContact CE-CG 4.02Å; M88-L95 HydrophobicContact SD-CD2 4.07Å; L95-N100 HydrophobicContact CD1-CB 3.89Å; L95-N100 HydrophobicContact CD2-CB 3.92Å; L95-N100 HydrophobicContact CG-CB 4.35Å; L95-Q101 HydrophobicContact CD1-CB 4.35Å; L95-L129 HydrophobicContact CD2-CD2 4.16Å
96	E	97.7	Very high	97.1	Very high	94 Å²	94	70.6 Å²	70.6	44%	0.439	36%	0.36	S	S	.	.	S	Bend	trans	-67.7	-43.2	173	-179.5	-178.3	-161.1	0	0	110.5	D132 Q133	E96-D132 PolarHBondContact N-OD1 3.48Å; E96-D132 PolarHBondContact N-OD2 3.16Å; E96-Q133 HydrophobicContact CB-CB 4.33Å; E96-Q133 VanDerWaalsContact OE2-CB 3.28Å; E96-Q133 WeakPolarHBondContact OE2-CB 3.48Å; E96-Q133 WeakPolarHBondContact OE2-CG 3.41Å; E96-Q133 PolarHBondContact OE2-N 3.02Å; E96-Q133 VanDerWaalsContact OE2-N 3.11Å
97	Y	96.5	Very high	97	Very high	129 Å²	129	69.2 Å²	69.2	51%	0.506	35%	0.346	S	S	.	.	S	Bend	trans	-104.2	113.4	178.7	-58.1	-72.2	0	0	0	110.4	M99 N100 D132	Y97-M99 PolarHBondContact O-N 2.9Å; Y97-N100 WeakPolarHBondContact O-CB 3.44Å; Y97-N100 PolarHBondContact O-N 3.3Å; Y97-D132 PolarHBondContact N-OD2 3.39Å; Y97-D132 VanDerWaalsContact N-OD2 3.14Å
98	P	94.6	Very high	96.9	Very high	112 Å²	112	71.6 Å²	71.6	73%	0.727	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.9	-179.5	-28.7	36.1	0	0	0	114.6	N100 Q101	P98-N100 PolarHBondContact O-N 3.13Å; P98-Q101 VanDerWaalsContact O-CB 3.23Å; P98-Q101 WeakPolarHBondContact O-CB 3.43Å; P98-Q101 PolarHBondContact O-N 3.25Å; P98-Q101 VanDerWaalsContact O-N 3.1Å
99	M	94.7	Very high	96.8	Very high	124 Å²	124	79.2 Å²	79.2	61%	0.611	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.2	176.9	-159.1	177.8	89.7	0	0	112.8	Y97 Q101 E102	Y97-M99 PolarHBondContact O-N 2.9Å; M99-Q101 PolarHBondContact O-N 3.26Å; M99-Q101 VanDerWaalsContact O-N 3.12Å; M99-E102 PolarHBondContact O-N 2.88Å
100	N	97.5	Very high	96.6	Very high	2 Å²	2	73 Å²	73	1%	0.011	37%	0.368	C	S	.	.	H	α-helix	trans	-66.4	-10.6	175.6	-83	-29.3	0	0	0	113.5	L95 Y97 P98 E102 N103 M104 Q128 L129 D132	L95-N100 HydrophobicContact CD1-CB 3.89Å; L95-N100 HydrophobicContact CD2-CB 3.92Å; L95-N100 HydrophobicContact CG-CB 4.35Å; Y97-N100 WeakPolarHBondContact O-CB 3.44Å; Y97-N100 PolarHBondContact O-N 3.3Å; P98-N100 PolarHBondContact O-N 3.13Å; N100-E102 VanDerWaalsContact C-N 3.29Å; N100-E102 PolarHBondContact O-N 3.27Å; N100-N103 WeakPolarHBondContact O-CB 3.33Å; N100-N103 PolarHBondContact O-N 2.76Å; N100-N103 PolarHBondContact OD1-ND2 3.26Å; N100-M104 WeakPolarHBondContact O-CB 3.21Å; N100-M104 PolarHBondContact O-N 3.49Å; N100-Q128 PolarHBondContact ND2-O 2.88Å; N100-Q128 VanDerWaalsContact OD1-CB 3.26Å; N100-Q128 WeakPolarHBondContact OD1-CB 3.46Å; N100-L129 HydrophobicContact CB-CD2 3.91Å; N100-D132 PolarHBondContact ND2-OD2 3.08Å
101	Q	97.4	Very high	96.5	Very high	80 Å²	80	71.4 Å²	71.4	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-40.9	173.9	-177.6	61.1	33.8	0	0	111.5	L95 P98 M99 M104 E105	L95-Q101 HydrophobicContact CD1-CB 4.35Å; P98-Q101 VanDerWaalsContact O-CB 3.23Å; P98-Q101 WeakPolarHBondContact O-CB 3.43Å; P98-Q101 PolarHBondContact O-N 3.25Å; P98-Q101 VanDerWaalsContact O-N 3.1Å; M99-Q101 PolarHBondContact O-N 3.26Å; M99-Q101 VanDerWaalsContact O-N 3.12Å; Q101-M104 WeakPolarHBondContact O-CB 3.25Å; Q101-M104 PolarHBondContact O-N 3.43Å; Q101-E105 PolarHBondContact NE2-OE1 3.35Å; Q101-E105 VanDerWaalsContact NE2-OE1 3.1Å; Q101-E105 WeakPolarHBondContact O-CG 3.13Å; Q101-E105 PolarHBondContact O-N 2.88Å
102	E	97.4	Very high	96.1	Very high	140 Å²	140	71.9 Å²	71.9	65%	0.654	36%	0.357	S	S	*	.	H	α-helix	trans	-66.7	-43.1	176.2	-174.7	174.7	-166.9	0	0	111.2	M99 N100 M104 E105 L106	M99-E102 PolarHBondContact O-N 2.88Å; N100-E102 VanDerWaalsContact C-N 3.29Å; N100-E102 PolarHBondContact O-N 3.27Å; E102-M104 VanDerWaalsContact C-N 3.29Å; E102-M104 PolarHBondContact O-N 2.97Å; E102-E105 PolarHBondContact O-N 2.63Å; E102-L106 WeakPolarHBondContact O-CB 3.49Å; E102-L106 PolarHBondContact O-N 3.47Å
103	N	97.8	Very high	95.6	Very high	16 Å²	16	75.5 Å²	75.5	9%	0.086	36%	0.362	C	S	.	.	H	α-helix	trans	-58.3	-42.3	173.8	-68.9	-32.5	0	0	0	111.5	N100 L106 I107 A125 Q128 L129	N100-N103 WeakPolarHBondContact O-CB 3.33Å; N100-N103 PolarHBondContact O-N 2.76Å; N100-N103 PolarHBondContact OD1-ND2 3.26Å; N103-L106 PolarHBondContact O-N 2.65Å; N103-I107 VanDerWaalsContact O-CG1 3.32Å; N103-I107 WeakPolarHBondContact O-CG1 3.45Å; N103-I107 PolarHBondContact O-N 3.4Å; N103-A125 HydrophobicContact CB-CB 3.81Å; N103-Q128 PolarHBondContact ND2-OE1 2.91Å; N103-Q128 VanDerWaalsContact ND2-OE1 3.15Å; N103-L129 HydrophobicContact CB-CD1 3.97Å; N103-L129 HydrophobicContact CB-CD2 4.23Å; N103-L129 HydrophobicContact CB-CG 3.86Å
104	M	97.5	Very high	94.7	Very high	5 Å²	5	79.5 Å²	79.5	3%	0.025	38%	0.384	C	S	.	.	H	α-helix	trans	-62.2	-45.4	177.6	-168.9	-171.3	-137.2	0	0	111.4	C85 M88 N100 Q101 E102 I107 L108 L129	C85-M104 VanDerWaalsContact CA-CE 3.46Å; C85-M104 HydrophobicContact CB-CE 3.69Å; C85-M104 HydrophobicContact CB-CG 3.82Å; C85-M104 WeakPolarHBondContact O-CE 3.42Å; M88-M104 HydrophobicContact CB-CE 3.83Å; M88-M104 HydrophobicContact CG-CE 4.44Å; M88-M104 HydrophobicContact SD-CE 4.1Å; N100-M104 WeakPolarHBondContact O-CB 3.21Å; N100-M104 PolarHBondContact O-N 3.49Å; Q101-M104 WeakPolarHBondContact O-CB 3.25Å; Q101-M104 PolarHBondContact O-N 3.43Å; E102-M104 VanDerWaalsContact C-N 3.29Å; E102-M104 PolarHBondContact O-N 2.97Å; M104-I107 PolarHBondContact O-N 2.9Å; M104-L108 HydrophobicContact CG-CD1 4.02Å; M104-L108 WeakPolarHBondContact O-CB 3.5Å; M104-L108 VanDerWaalsContact O-CG 3.27Å; M104-L108 WeakPolarHBondContact O-CG 3.5Å; M104-L108 PolarHBondContact O-N 3.23Å; M104-L129 HydrophobicContact CB-CD2 4.33Å
105	E	97.1	Very high	93.7	Very high	80 Å²	80	76.4 Å²	76.4	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-38.9	177.4	-72.8	176.3	-160.2	0	0	112.6	Q101 E102 K109	Q101-E105 PolarHBondContact NE2-OE1 3.35Å; Q101-E105 VanDerWaalsContact NE2-OE1 3.1Å; Q101-E105 WeakPolarHBondContact O-CG 3.13Å; Q101-E105 PolarHBondContact O-N 2.88Å; E102-E105 PolarHBondContact O-N 2.63Å; E105-K109 WeakPolarHBondContact O-CD 3.42Å; E105-K109 VanDerWaalsContact O-CG 3.24Å; E105-K109 WeakPolarHBondContact O-CG 3.24Å; E105-K109 PolarHBondContact O-N 3.2Å
106	L	96.3	Very high	92.9	Very high	38 Å²	38	75.5 Å²	75.5	20%	0.199	38%	0.38	C	S	.	.	H	α-helix	trans	-58.6	-50.1	173.8	176.9	67.7	0	0	0	111	E102 N103 K109 I110 E121 R122 A125	E102-L106 WeakPolarHBondContact O-CB 3.49Å; E102-L106 PolarHBondContact O-N 3.47Å; N103-L106 PolarHBondContact O-N 2.65Å; L106-K109 PolarHBondContact O-N 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.33Å; L106-E121 HydrophobicContact CD2-CG 3.67Å; L106-R122 HydrophobicContact CD2-CG 4.48Å; L106-A125 HydrophobicContact CD2-CB 3.93Å
107	I	96.5	Very high	92.4	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-66.1	-41.3	-178.5	-65	-60.6	0	0	0	111.9	F78 M81 Q82 N103 M104 K109 I110 A125 I126 L129	F78-I107 HydrophobicContact CD1-CD1 4.08Å; F78-I107 HydrophobicContact CE1-CD1 3.83Å; M81-I107 HydrophobicContact CB-CG2 3.71Å; Q82-I107 HydrophobicContact CG-CG2 3.93Å; Q82-I107 WeakPolarHBondContact CG-O 3.29Å; Q82-I107 PolarHBondContact NE2-O 2.8Å; N103-I107 VanDerWaalsContact O-CG1 3.32Å; N103-I107 WeakPolarHBondContact O-CG1 3.45Å; N103-I107 PolarHBondContact O-N 3.4Å; M104-I107 PolarHBondContact O-N 2.9Å; I107-K109 PolarHBondContact O-N 3.4Å; I107-I110 HydrophobicContact CD1-CD1 4Å; I107-I110 PolarHBondContact O-N 3Å; I107-A125 HydrophobicContact CD1-CB 4.26Å; I107-A125 HydrophobicContact CG1-CB 4.33Å; I107-I126 HydrophobicContact CD1-CD1 4.41Å; I107-I126 HydrophobicContact CD1-CG1 3.82Å; I107-L129 HydrophobicContact CG1-CD1 3.85Å
108	L	96.1	Very high	92.3	Very high	56 Å²	56	68.3 Å²	68.3	29%	0.293	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-22.5	179	-74.5	170.7	0	0	0	113.6	Q82 C85 R89 M104	Q82-L108 HydrophobicContact CB-CD2 4.44Å; C85-L108 HydrophobicContact CB-CD1 4.16Å; C85-L108 HydrophobicContact CB-CD2 3.8Å; C85-L108 HydrophobicContact CB-CG 3.94Å; R89-L108 VanDerWaalsContact NH2-CD1 3.29Å; M104-L108 HydrophobicContact CG-CD1 4.02Å; M104-L108 WeakPolarHBondContact O-CB 3.5Å; M104-L108 VanDerWaalsContact O-CG 3.27Å; M104-L108 WeakPolarHBondContact O-CG 3.5Å; M104-L108 PolarHBondContact O-N 3.23Å
109	K	94.6	Very high	92.2	Very high	162 Å²	162	65.4 Å²	65.4	70%	0.704	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.5	177.9	-74.8	170.1	-174.9	167.9	0	114	E105 L106 I107 D111	E105-K109 WeakPolarHBondContact O-CD 3.42Å; E105-K109 VanDerWaalsContact O-CG 3.24Å; E105-K109 WeakPolarHBondContact O-CG 3.24Å; E105-K109 PolarHBondContact O-N 3.2Å; L106-K109 PolarHBondContact O-N 3.3Å; I107-K109 PolarHBondContact O-N 3.4Å; K109-D111 PolarHBondContact O-N 3.45Å
110	I	93.4	Very high	92.3	Very high	13 Å²	13	64.9 Å²	64.9	7%	0.067	35%	0.346	C	S	.	.			trans	-72.8	122.1	-178	-63.5	173.2	0	0	0	109.4	F78 Q82 L106 I107 L112 R122	F78-I110 HydrophobicContact CD1-CD1 3.42Å; F78-I110 VanDerWaalsContact CD1-CD1 3.42Å; F78-I110 HydrophobicContact CE1-CD1 3.23Å; F78-I110 HydrophobicContact CG-CD1 4.33Å; F78-I110 HydrophobicContact CZ-CD1 4.03Å; Q82-I110 PolarHBondContact NE2-O 2.91Å; L106-I110 WeakPolarHBondContact O-CG1 3.33Å; I107-I110 HydrophobicContact CD1-CD1 4Å; I107-I110 PolarHBondContact O-N 3Å; I110-L112 HydrophobicContact CG2-CD2 4.4Å; I110-R122 HydrophobicContact CD1-CG 4.07Å
111	D	92.8	Very high	92.2	Very high	82 Å²	82	70.4 Å²	70.4	44%	0.439	37%	0.371	S	S	.	.			trans	-75.2	126.6	166.6	-164.3	-25.2	0	0	0	109.5	K109 E113 D114	K109-D111 PolarHBondContact O-N 3.45Å; D111-E113 VanDerWaalsContact C-N 3.34Å; D111-E113 WeakPolarHBondContact OD1-CB 3.26Å; D111-E113 PolarHBondContact OD1-N 3.25Å; D111-D114 HydrophobicContact CB-CB 4.26Å
112	L	90.9	Very high	92.2	Very high	39 Å²	39	69.3 Å²	69.3	20%	0.204	36%	0.364	C	S	.	.	S	Bend	trans	-83.5	-13.3	-179.1	-60.9	-178	0	0	0	113.2	Q75 F78 L79 I110 I116	Q75-L112 PolarHBondContact NE2-O 2.97Å; Q75-L112 VanDerWaalsContact NE2-O 3.11Å; F78-L112 HydrophobicContact CB-CD2 3.49Å; F78-L112 VanDerWaalsContact CB-CD2 3.49Å; L79-L112 HydrophobicContact CB-CD1 3.87Å; L79-L112 HydrophobicContact CD1-CD1 3.84Å; L79-L112 HydrophobicContact CG-CD1 4.4Å; I110-L112 HydrophobicContact CG2-CD2 4.4Å; L112-I116 HydrophobicContact CB-CD1 4.32Å; L112-I116 HydrophobicContact CD2-CD1 3.74Å
113	E	85.6	Confident	92.2	Very high	181 Å²	181	63.7 Å²	63.7	85%	0.846	34%	0.338	S	S	*	.	S	Bend	trans	-83.5	-23.5	177.3	-59.2	-172.4	176.1	0	0	112.1	D111	D111-E113 VanDerWaalsContact C-N 3.34Å; D111-E113 WeakPolarHBondContact OD1-CB 3.26Å; D111-E113 PolarHBondContact OD1-N 3.25Å
114	D	80	Confident	92.2	Very high	110 Å²	110	66.3 Å²	66.3	59%	0.588	35%	0.352	S	S	*	.	S	Bend	trans	-79	172.8	178.1	-85.8	-21.5	0	0	0	113.6	D111 I116	D111-D114 HydrophobicContact CB-CB 4.26Å; D114-I116 VanDerWaalsContact O-CG1 3.28Å; D114-I116 WeakPolarHBondContact O-CG1 3.24Å; D114-I116 PolarHBondContact O-N 3.12Å
115	S	74.9	Confident	92.2	Very high	112 Å²	112	66 Å²	66	78%	0.783	35%	0.351	S	S	*	.			trans	-58.9	99.5	173.1	171.4	0	0	0	0	111.3	A117	S115-A117 PolarHBondContact O-N 2.94Å
116	I	81.9	Confident	92.3	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.051	33%	0.333	C	S	.	.			trans	-77.1	108.6	177.4	-56	-154.8	0	0	0	110.5	Q75 F78 L112 D114	Q75-I116 HydrophobicContact CB-CD1 4.11Å; Q75-I116 HydrophobicContact CG-CD1 3.27Å; Q75-I116 HydrophobicContact CG-CG1 4.02Å; F78-I116 HydrophobicContact CD2-CD1 4.29Å; F78-I116 HydrophobicContact CD2-CG2 3.26Å; F78-I116 HydrophobicContact CE2-CG2 3.21Å; F78-I116 HydrophobicContact CG-CG2 4.48Å; F78-I116 HydrophobicContact CZ-CG2 4.4Å; L112-I116 HydrophobicContact CB-CD1 4.32Å; L112-I116 HydrophobicContact CD2-CD1 3.74Å; D114-I116 VanDerWaalsContact O-CG1 3.28Å; D114-I116 WeakPolarHBondContact O-CG1 3.24Å; D114-I116 PolarHBondContact O-N 3.12Å
117	A	87.9	Confident	92.3	Very high	45 Å²	45	66 Å²	66	37%	0.372	35%	0.345	S	S	.	.			trans	-113.9	140.4	170.9	0	0	0	0	0	111.7	S115 T119 R122	S115-A117 PolarHBondContact O-N 2.94Å; A117-T119 PolarHBondContact O-N 3.31Å; A117-T119 VanDerWaalsContact O-N 3.15Å; A117-R122 WeakPolarHBondContact O-CD 3.47Å; A117-R122 PolarHBondContact O-NH1 3.31Å
118	L	92.8	Very high	92.4	Very high	27 Å²	27	68.6 Å²	68.6	14%	0.141	36%	0.357	C	S	.	.			trans	-81.8	78.7	169.6	-69.1	-175.4	0	0	0	110.1	Y74 F78 I123 I126 F158 A162	Y74-L118 HydrophobicContact CD1-CD1 3.73Å; Y74-L118 HydrophobicContact CD1-CG 4.04Å; Y74-L118 HydrophobicContact CD2-CG 4.14Å; Y74-L118 HydrophobicContact CE1-CD1 3.32Å; Y74-L118 HydrophobicContact CE1-CG 3.97Å; Y74-L118 HydrophobicContact CE2-CD1 4.16Å; Y74-L118 HydrophobicContact CE2-CG 4.05Å; Y74-L118 HydrophobicContact CG-CD1 4.31Å; Y74-L118 HydrophobicContact CG-CG 4.12Å; F78-L118 HydrophobicContact CE2-CD2 3.7Å; F78-L118 HydrophobicContact CZ-CD2 3.64Å; L118-I123 HydrophobicContact CB-CD1 4.02Å; L118-I123 HydrophobicContact CB-CG1 3.86Å; L118-I123 WeakPolarHBondContact O-CD1 3.28Å; L118-I126 HydrophobicContact CD2-CD1 4.45Å; L118-F158 HydrophobicContact CD1-CE2 4.26Å; L118-F158 HydrophobicContact CD2-CE2 4.15Å; L118-F158 HydrophobicContact CD2-CZ 4.18Å; L118-A162 HydrophobicContact CD1-CB 4.14Å
119	T	94.2	Very high	92.5	Very high	51 Å²	51	66 Å²	66	31%	0.313	34%	0.343	S	S	.	.			trans	-65.9	153.9	170.6	60.5	0	0	0	0	110.7	A117 E121 R122 I123	A117-T119 PolarHBondContact O-N 3.31Å; A117-T119 VanDerWaalsContact O-N 3.15Å; T119-E121 PolarHBondContact O-N 2.97Å; T119-E121 VanDerWaalsContact O-N 3.11Å; T119-R122 PolarHBondContact O-N 3.14Å; T119-R122 VanDerWaalsContact O-N 3.08Å; T119-R122 WeakPolarHBondContact OG1-CB 3.47Å; T119-R122 WeakPolarHBondContact OG1-CD 3.4Å; T119-R122 VanDerWaalsContact OG1-CG 3.23Å; T119-R122 WeakPolarHBondContact OG1-CG 3.33Å; T119-R122 PolarHBondContact OG1-N 3.39Å; T119-I123 WeakPolarHBondContact O-CG1 3.31Å; T119-I123 PolarHBondContact O-N 3.41Å
120	P	96	Very high	92.7	Very high	113 Å²	113	60 Å²	60	73%	0.734	32%	0.316	S	S	*	.	H	α-helix	trans	-50.7	-38.8	176.4	-28.9	35.8	0	0	0	114.2	I123 N124	P120-I123 PolarHBondContact O-N 3.33Å; P120-N124 WeakPolarHBondContact O-CB 3.07Å; P120-N124 PolarHBondContact O-N 3.3Å
121	E	95.9	Very high	92.9	Very high	118 Å²	118	62 Å²	62	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-61.2	-54.3	176.6	-168.1	-170	172.3	0	0	111.9	L106 T119 I123 N124 A125	L106-E121 HydrophobicContact CD2-CG 3.67Å; T119-E121 PolarHBondContact O-N 2.97Å; T119-E121 VanDerWaalsContact O-N 3.11Å; E121-I123 VanDerWaalsContact C-N 3.34Å; E121-I123 PolarHBondContact O-N 3.32Å; E121-N124 PolarHBondContact O-N 3.03Å; E121-A125 WeakPolarHBondContact O-CB 3.27Å; E121-A125 PolarHBondContact O-N 3.04Å
122	R	96	Very high	93.2	Very high	57 Å²	57	58.1 Å²	58.1	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-40.1	175.4	-68.4	171.7	178.2	178.6	-4.4	113.1	F78 L106 I110 A117 T119 A125 I126	F78-R122 HydrophobicContact CE1-CB 4.22Å; F78-R122 HydrophobicContact CE1-CG 4.39Å; F78-R122 HydrophobicContact CZ-CB 4.11Å; F78-R122 HydrophobicContact CZ-CG 4.39Å; L106-R122 HydrophobicContact CD2-CG 4.48Å; I110-R122 HydrophobicContact CD1-CG 4.07Å; A117-R122 WeakPolarHBondContact O-CD 3.47Å; A117-R122 PolarHBondContact O-NH1 3.31Å; T119-R122 PolarHBondContact O-N 3.14Å; T119-R122 VanDerWaalsContact O-N 3.08Å; T119-R122 WeakPolarHBondContact OG1-CB 3.47Å; T119-R122 WeakPolarHBondContact OG1-CD 3.4Å; T119-R122 VanDerWaalsContact OG1-CG 3.23Å; T119-R122 WeakPolarHBondContact OG1-CG 3.33Å; T119-R122 PolarHBondContact OG1-N 3.39Å; R122-A125 PolarHBondContact O-N 2.84Å; R122-I126 WeakPolarHBondContact O-CG1 3.29Å; R122-I126 PolarHBondContact O-N 3.11Å
123	I	97.9	Very high	93.5	Very high	23 Å²	23	60.7 Å²	60.7	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-49.6	176.2	-67.5	167.9	0	0	0	109.8	L118 T119 P120 E121 A125 I126 R127 F158 A162	L118-I123 HydrophobicContact CB-CD1 4.02Å; L118-I123 HydrophobicContact CB-CG1 3.86Å; L118-I123 WeakPolarHBondContact O-CD1 3.28Å; T119-I123 WeakPolarHBondContact O-CG1 3.31Å; T119-I123 PolarHBondContact O-N 3.41Å; P120-I123 PolarHBondContact O-N 3.33Å; E121-I123 VanDerWaalsContact C-N 3.34Å; E121-I123 PolarHBondContact O-N 3.32Å; I123-A125 VanDerWaalsContact C-N 3.35Å; I123-A125 PolarHBondContact O-N 3.26Å; I123-I126 PolarHBondContact O-N 3.47Å; I123-R127 WeakPolarHBondContact O-CG 3.36Å; I123-R127 PolarHBondContact O-N 2.57Å; I123-F158 HydrophobicContact CB-CE1 4.35Å; I123-F158 HydrophobicContact CB-CZ 4.48Å; I123-F158 HydrophobicContact CG1-CZ 4.35Å; I123-F158 HydrophobicContact CG2-CE1 3.9Å; I123-F158 HydrophobicContact CG2-CZ 4.42Å; I123-A162 HydrophobicContact CD1-CB 4.12Å; I123-A162 HydrophobicContact CG1-CB 4.1Å; I123-A162 HydrophobicContact CG2-CB 4.05Å
124	N	97.8	Very high	94.1	Very high	70 Å²	70	52 Å²	52	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-42.5	177.9	177.2	67.7	0	0	0	111.9	P120 E121 I126 R127 Q128	P120-N124 WeakPolarHBondContact O-CB 3.07Å; P120-N124 PolarHBondContact O-N 3.3Å; E121-N124 PolarHBondContact O-N 3.03Å; N124-I126 PolarHBondContact O-N 3.19Å; N124-R127 PolarHBondContact O-N 2.85Å; N124-Q128 VanDerWaalsContact CG-NE2 3.32Å; N124-Q128 PolarHBondContact ND2-NE2 2.71Å; N124-Q128 WeakPolarHBondContact O-CG 3.26Å; N124-Q128 PolarHBondContact O-N 3.24Å; N124-Q128 PolarHBondContact OD1-NE2 3.32Å
125	A	97.9	Very high	95	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-47.1	177.5	0	0	0	0	0	112.5	N103 L106 I107 E121 R122 I123 R127 Q128 L129	N103-A125 HydrophobicContact CB-CB 3.81Å; L106-A125 HydrophobicContact CD2-CB 3.93Å; I107-A125 HydrophobicContact CD1-CB 4.26Å; I107-A125 HydrophobicContact CG1-CB 4.33Å; E121-A125 WeakPolarHBondContact O-CB 3.27Å; E121-A125 PolarHBondContact O-N 3.04Å; R122-A125 PolarHBondContact O-N 2.84Å; I123-A125 VanDerWaalsContact C-N 3.35Å; I123-A125 PolarHBondContact O-N 3.26Å; A125-R127 PolarHBondContact O-N 3.13Å; A125-Q128 PolarHBondContact O-N 2.96Å; A125-L129 VanDerWaalsContact O-CB 3.3Å; A125-L129 WeakPolarHBondContact O-CB 3.33Å; A125-L129 VanDerWaalsContact O-CG 3.26Å; A125-L129 WeakPolarHBondContact O-CG 3.4Å; A125-L129 PolarHBondContact O-N 3.31Å
126	I	98.3	Very high	96.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-44.3	177	-68.2	169.9	0	0	0	110.8	I77 F78 M81 I107 L118 R122 I123 N124 W130 L155 F158	I77-I126 HydrophobicContact CG2-CD1 3.91Å; F78-I126 HydrophobicContact CD1-CD1 4.18Å; F78-I126 HydrophobicContact CE1-CD1 3.68Å; F78-I126 HydrophobicContact CZ-CD1 4.07Å; M81-I126 HydrophobicContact CG-CG1 4.27Å; M81-I126 HydrophobicContact CG-CG2 4.46Å; M81-I126 HydrophobicContact SD-CG2 4.38Å; I107-I126 HydrophobicContact CD1-CD1 4.41Å; I107-I126 HydrophobicContact CD1-CG1 3.82Å; L118-I126 HydrophobicContact CD2-CD1 4.45Å; R122-I126 WeakPolarHBondContact O-CG1 3.29Å; R122-I126 PolarHBondContact O-N 3.11Å; I123-I126 PolarHBondContact O-N 3.47Å; N124-I126 PolarHBondContact O-N 3.19Å; I126-W130 WeakPolarHBondContact O-CB 3.38Å; I126-W130 PolarHBondContact O-N 2.96Å; I126-L155 HydrophobicContact CG2-CD2 3.99Å; I126-F158 HydrophobicContact CB-CD1 4.35Å; I126-F158 HydrophobicContact CB-CE1 3.74Å; I126-F158 HydrophobicContact CB-CE2 4.39Å; I126-F158 HydrophobicContact CB-CZ 3.77Å; I126-F158 HydrophobicContact CD1-CE1 4.43Å; I126-F158 HydrophobicContact CD1-CE2 3.77Å; I126-F158 HydrophobicContact CD1-CZ 3.57Å; I126-F158 HydrophobicContact CG1-CZ 4.25Å; I126-F158 HydrophobicContact CG2-CD1 3.8Å; I126-F158 HydrophobicContact CG2-CD2 4.06Å; I126-F158 HydrophobicContact CG2-CE1 3.67Å; I126-F158 HydrophobicContact CG2-CE2 3.96Å; I126-F158 HydrophobicContact CG2-CG 3.99Å; I126-F158 HydrophobicContact CG2-CZ 3.76Å
127	R	98	Very high	96.9	Very high	116 Å²	116	49.5 Å²	49.5	44%	0.438	26%	0.257	S	S	.	.	H	α-helix	trans	-59.1	-50.5	178	-76.1	175.3	174.3	151	2.4	112	I123 N124 A125 W130 A131 F158 D159	I123-R127 WeakPolarHBondContact O-CG 3.36Å; I123-R127 PolarHBondContact O-N 2.57Å; N124-R127 PolarHBondContact O-N 2.85Å; A125-R127 PolarHBondContact O-N 3.13Å; R127-W130 PolarHBondContact O-N 2.81Å; R127-A131 VanDerWaalsContact O-CB 3.31Å; R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 2.81Å; R127-F158 HydrophobicContact CG-CD1 4.01Å; R127-F158 HydrophobicContact CG-CE1 4.16Å; R127-D159 IonicContact CZ-OD1 3.45Å; R127-D159 IonicContact NE-OD1 2.65Å; R127-D159 PolarHBondContact NE-OD1 2.75Å; R127-D159 IonicContact NH2-OD1 3.94Å; R127-D159 PolarHBondContact NH2-OD1 3.25Å
128	Q	98.2	Very high	97.4	Very high	55 Å²	55	47.4 Å²	47.4	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-67.8	-39.9	-177.3	-67.2	-171.9	24.7	0	0	111.9	N100 N103 N124 A125 A131 D132	N100-Q128 PolarHBondContact ND2-O 2.88Å; N100-Q128 VanDerWaalsContact OD1-CB 3.26Å; N100-Q128 WeakPolarHBondContact OD1-CB 3.46Å; N103-Q128 PolarHBondContact ND2-OE1 2.91Å; N103-Q128 VanDerWaalsContact ND2-OE1 3.15Å; N124-Q128 VanDerWaalsContact CG-NE2 3.32Å; N124-Q128 PolarHBondContact ND2-NE2 2.71Å; N124-Q128 WeakPolarHBondContact O-CG 3.26Å; N124-Q128 PolarHBondContact O-N 3.24Å; N124-Q128 PolarHBondContact OD1-NE2 3.32Å; A125-Q128 PolarHBondContact O-N 2.96Å; Q128-A131 PolarHBondContact O-N 3.4Å; Q128-D132 PolarHBondContact O-N 2.78Å
129	L	98.4	Very high	97.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-45.8	176	-74.4	168.9	0	0	0	111.8	M81 L95 N100 N103 M104 I107 A125 A131 D132 M135	M81-L129 HydrophobicContact CE-CB 3.46Å; M81-L129 VanDerWaalsContact CE-CB 3.46Å; M81-L129 HydrophobicContact CE-CD1 3.74Å; M81-L129 HydrophobicContact CE-CG 4.26Å; L95-L129 HydrophobicContact CD2-CD2 4.16Å; N100-L129 HydrophobicContact CB-CD2 3.91Å; N103-L129 HydrophobicContact CB-CD1 3.97Å; N103-L129 HydrophobicContact CB-CD2 4.23Å; N103-L129 HydrophobicContact CB-CG 3.86Å; M104-L129 HydrophobicContact CB-CD2 4.33Å; I107-L129 HydrophobicContact CG1-CD1 3.85Å; A125-L129 VanDerWaalsContact O-CB 3.3Å; A125-L129 WeakPolarHBondContact O-CB 3.33Å; A125-L129 VanDerWaalsContact O-CG 3.26Å; A125-L129 WeakPolarHBondContact O-CG 3.4Å; A125-L129 PolarHBondContact O-N 3.31Å; L129-A131 VanDerWaalsContact C-N 3.27Å; L129-A131 PolarHBondContact O-N 2.62Å; L129-D132 VanDerWaalsContact O-CB 3.28Å; L129-D132 WeakPolarHBondContact O-CB 3.46Å; L129-D132 PolarHBondContact O-N 3.21Å; L129-M135 HydrophobicContact CB-CE 4.12Å; L129-M135 HydrophobicContact CD2-CE 4.03Å; L129-M135 WeakPolarHBondContact O-CB 3.28Å; L129-M135 VanDerWaalsContact O-CG 3.29Å; L129-M135 WeakPolarHBondContact O-CG 3.36Å
130	W	98.2	Very high	97.7	Very high	37 Å²	37	48.8 Å²	48.8	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-27.5	179.8	-174.8	-127.2	0	0	0	113.1	M84 I126 R127 M135 K136 Y139 L155 N156	M84-W130 HydrophobicContact CE-CE3 4.24Å; M84-W130 HydrophobicContact CE-CZ3 4.24Å; M84-W130 HydrophobicContact SD-CZ3 4.17Å; I126-W130 WeakPolarHBondContact O-CB 3.38Å; I126-W130 PolarHBondContact O-N 2.96Å; R127-W130 PolarHBondContact O-N 2.81Å; W130-M135 HydrophobicContact CE3-CG 4.13Å; W130-K136 WeakPolarHBondContact O-CE 3.5Å; W130-Y139 HydrophobicContact CH2-CD1 4.17Å; W130-Y139 AromaticContact CH2-CD2 3.93Å; W130-Y139 HydrophobicContact CH2-CD2 3.93Å; W130-Y139 AromaticContact CH2-CG 3.76Å; W130-Y139 HydrophobicContact CH2-CG 3.76Å; W130-Y139 HydrophobicContact CZ3-CD2 4.21Å; W130-Y139 HydrophobicContact CZ3-CG 4.05Å; W130-L155 HydrophobicContact CD2-CB 3.76Å; W130-L155 HydrophobicContact CD2-CD1 3.86Å; W130-L155 HydrophobicContact CD2-CG 4.34Å; W130-L155 HydrophobicContact CE3-CB 4.42Å; W130-L155 HydrophobicContact CE3-CD1 3.65Å; W130-L155 HydrophobicContact CG-CB 3.9Å; W130-L155 HydrophobicContact CG-CD1 4.49Å; W130-L155 HydrophobicContact CH2-CD1 4.25Å; W130-L155 HydrophobicContact CZ2-CB 4.12Å; W130-L155 HydrophobicContact CZ2-CD1 4.42Å; W130-L155 HydrophobicContact CZ3-CD1 3.86Å; W130-N156 PolarHBondContact NE1-OD1 2.77Å; W130-N156 VanDerWaalsContact NE1-OD1 3.08Å
131	A	98	Very high	97.8	Very high	56 Å²	56	47.6 Å²	47.6	46%	0.463	22%	0.222	S	C	.	.	H	α-helix	trans	-73.3	-26.3	174.4	0	0	0	0	0	113.5	R127 Q128 L129 K136	R127-A131 VanDerWaalsContact O-CB 3.31Å; R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 2.81Å; Q128-A131 PolarHBondContact O-N 3.4Å; L129-A131 VanDerWaalsContact C-N 3.27Å; L129-A131 PolarHBondContact O-N 2.62Å; A131-K136 WeakPolarHBondContact O-CE 3.28Å; A131-K136 PolarHBondContact O-NZ 2.95Å
132	D	98.5	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-61.9	133.2	-176.6	-166.7	-76.6	0	0	0	112.5	E96 Y97 N100 Q128 L129 G134 M135 K136	E96-D132 PolarHBondContact N-OD1 3.48Å; E96-D132 PolarHBondContact N-OD2 3.16Å; Y97-D132 PolarHBondContact N-OD2 3.39Å; Y97-D132 VanDerWaalsContact N-OD2 3.14Å; N100-D132 PolarHBondContact ND2-OD2 3.08Å; Q128-D132 PolarHBondContact O-N 2.78Å; L129-D132 VanDerWaalsContact O-CB 3.28Å; L129-D132 WeakPolarHBondContact O-CB 3.46Å; L129-D132 PolarHBondContact O-N 3.21Å; D132-G134 VanDerWaalsContact C-N 3.29Å; D132-G134 PolarHBondContact O-N 3.25Å; D132-G134 VanDerWaalsContact OD1-CA 3.26Å; D132-G134 WeakPolarHBondContact OD1-CA 3.43Å; D132-G134 PolarHBondContact OD1-N 3.03Å; D132-M135 HydrophobicContact CB-CB 4.18Å; D132-M135 PolarHBondContact O-N 2.9Å; D132-K136 PolarHBondContact O-N 3.04Å
133	Q	98.1	Very high	97.8	Very high	92 Å²	92	44.2 Å²	44.2	43%	0.43	20%	0.204	S	C	.	.	H	α-helix	trans	-66.2	-31.1	179.7	-65	-63.9	-23.6	0	0	112.9	E96 M135 K136 M137	E96-Q133 HydrophobicContact CB-CB 4.33Å; E96-Q133 VanDerWaalsContact OE2-CB 3.28Å; E96-Q133 WeakPolarHBondContact OE2-CB 3.48Å; E96-Q133 WeakPolarHBondContact OE2-CG 3.41Å; E96-Q133 PolarHBondContact OE2-N 3.02Å; E96-Q133 VanDerWaalsContact OE2-N 3.11Å; Q133-M135 VanDerWaalsContact C-N 3.34Å; Q133-M135 PolarHBondContact O-N 3.3Å; Q133-K136 PolarHBondContact O-N 3.44Å; Q133-M137 WeakPolarHBondContact O-CB 3.47Å; Q133-M137 VanDerWaalsContact O-CG 3.29Å; Q133-M137 WeakPolarHBondContact O-CG 3.18Å; Q133-M137 PolarHBondContact O-N 3.39Å
134	G	98.2	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-44.6	171.8	0	0	0	0	0	112.1	I93 K94 D132 M137 C138	I93-G134 WeakPolarHBondContact CG2-O 3.25Å; K94-G134 WeakPolarHBondContact O-CA 3.31Å; D132-G134 VanDerWaalsContact C-N 3.29Å; D132-G134 PolarHBondContact O-N 3.25Å; D132-G134 VanDerWaalsContact OD1-CA 3.26Å; D132-G134 WeakPolarHBondContact OD1-CA 3.43Å; D132-G134 PolarHBondContact OD1-N 3.03Å; G134-M137 PolarHBondContact O-N 3.41Å; G134-C138 PolarHBondContact O-N 3.16Å
135	M	98.1	Very high	97.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-42.1	177.1	-170.4	61.9	70.5	0	0	111.9	M81 M84 M88 L129 W130 D132 Q133 C138 Y139	M81-M135 HydrophobicContact CE-CE 4.28Å; M84-M135 HydrophobicContact CB-SD 3.55Å; M84-M135 VanDerWaalsContact CB-SD 3.55Å; M84-M135 HydrophobicContact CE-CG 4.4Å; M84-M135 HydrophobicContact CE-SD 3.96Å; M84-M135 HydrophobicContact CG-SD 4.43Å; M84-M135 HydrophobicContact SD-SD 4.17Å; M88-M135 HydrophobicContact SD-CB 4.39Å; M88-M135 HydrophobicContact SD-CE 3.52Å; M88-M135 VanDerWaalsContact SD-CE 3.52Å; M88-M135 HydrophobicContact SD-SD 3.86Å; L129-M135 HydrophobicContact CB-CE 4.12Å; L129-M135 HydrophobicContact CD2-CE 4.03Å; L129-M135 WeakPolarHBondContact O-CB 3.28Å; L129-M135 VanDerWaalsContact O-CG 3.29Å; L129-M135 WeakPolarHBondContact O-CG 3.36Å; W130-M135 HydrophobicContact CE3-CG 4.13Å; D132-M135 HydrophobicContact CB-CB 4.18Å; D132-M135 PolarHBondContact O-N 2.9Å; Q133-M135 VanDerWaalsContact C-N 3.34Å; Q133-M135 PolarHBondContact O-N 3.3Å; M135-C138 WeakPolarHBondContact O-CB 3.33Å; M135-C138 PolarHBondContact O-N 2.82Å; M135-C138 VanDerWaalsContact O-N 3.17Å; M135-Y139 PolarHBondContact O-N 2.99Å
136	K	98.1	Very high	97.6	Very high	75 Å²	75	48.4 Å²	48.4	33%	0.326	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-44.5	175.6	-69.8	173.4	-176.9	158	0	111.9	W130 A131 D132 Q133 C138 Y139 E140	W130-K136 WeakPolarHBondContact O-CE 3.5Å; A131-K136 WeakPolarHBondContact O-CE 3.28Å; A131-K136 PolarHBondContact O-NZ 2.95Å; D132-K136 PolarHBondContact O-N 3.04Å; Q133-K136 PolarHBondContact O-N 3.44Å; K136-C138 VanDerWaalsContact C-N 3.27Å; K136-C138 PolarHBondContact O-N 2.73Å; K136-Y139 WeakPolarHBondContact O-CB 3.28Å; K136-Y139 PolarHBondContact O-N 3.29Å; K136-Y139 VanDerWaalsContact O-N 3.14Å; K136-E140 PolarHBondContact O-N 2.99Å
137	M	97.9	Very high	97.6	Very high	104 Å²	104	48.9 Å²	48.9	51%	0.512	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-38.8	173.5	-73.8	-173.3	-64	0	0	112	I93 Q133 G134 E140 R141	I93-M137 HydrophobicContact CG2-CB 4.35Å; I93-M137 HydrophobicContact CG2-CE 4.13Å; Q133-M137 WeakPolarHBondContact O-CB 3.47Å; Q133-M137 VanDerWaalsContact O-CG 3.29Å; Q133-M137 WeakPolarHBondContact O-CG 3.18Å; Q133-M137 PolarHBondContact O-N 3.39Å; G134-M137 PolarHBondContact O-N 3.41Å; M137-E140 PolarHBondContact O-N 3.24Å; M137-R141 PolarHBondContact O-N 3.29Å
138	C	98.4	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-43.4	174.2	-169.1	0	0	0	0	111.9	M88 I93 G134 M135 K136 E140 R141 R142 F145	M88-C138 HydrophobicContact CG-CB 3.61Å; I93-C138 HydrophobicContact CD1-CB 3.77Å; G134-C138 PolarHBondContact O-N 3.16Å; M135-C138 WeakPolarHBondContact O-CB 3.33Å; M135-C138 PolarHBondContact O-N 2.82Å; M135-C138 VanDerWaalsContact O-N 3.17Å; K136-C138 VanDerWaalsContact C-N 3.27Å; K136-C138 PolarHBondContact O-N 2.73Å; C138-E140 VanDerWaalsContact C-N 3.33Å; C138-E140 PolarHBondContact O-N 3.48Å; C138-R141 CarbonylContact O-C 3.55Å; C138-R141 PolarHBondContact O-N 3.46Å; C138-R142 PolarHBondContact O-N 3.06Å; C138-F145 WeakPolarHBondContact O-CE1 3.48Å; C138-F145 WeakPolarHBondContact O-CZ 3.34Å
139	Y	98	Very high	97.4	Very high	11 Å²	11	44.6 Å²	44.6	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-37.4	177	175.1	-91.9	0	0	0	112.8	M84 W130 M135 K136 R141 R142 L147 K152	M84-Y139 HydrophobicContact SD-CD2 4.17Å; W130-Y139 HydrophobicContact CH2-CD1 4.17Å; W130-Y139 AromaticContact CH2-CD2 3.93Å; W130-Y139 HydrophobicContact CH2-CD2 3.93Å; W130-Y139 AromaticContact CH2-CG 3.76Å; W130-Y139 HydrophobicContact CH2-CG 3.76Å; W130-Y139 HydrophobicContact CZ3-CD2 4.21Å; W130-Y139 HydrophobicContact CZ3-CG 4.05Å; M135-Y139 PolarHBondContact O-N 2.99Å; K136-Y139 WeakPolarHBondContact O-CB 3.28Å; K136-Y139 PolarHBondContact O-N 3.29Å; K136-Y139 VanDerWaalsContact O-N 3.14Å; Y139-R141 PolarHBondContact O-N 2.87Å; Y139-R142 VanDerWaalsContact CE2-CD 3.43Å; Y139-R142 VanDerWaalsContact CZ-CD 3.48Å; Y139-R142 VanDerWaalsContact CZ-CZ 3.48Å; Y139-R142 WeakPolarHBondContact O-CB 3.2Å; Y139-R142 VanDerWaalsContact O-CD 3.29Å; Y139-R142 WeakPolarHBondContact O-CD 3.39Å; Y139-R142 WeakPolarHBondContact O-CG 3.43Å; Y139-R142 PolarHBondContact O-N 2.89Å; Y139-R142 VanDerWaalsContact O-N 3.1Å; Y139-R142 PolarHBondContact O-NH1 2.89Å; Y139-R142 VanDerWaalsContact O-NH1 3.15Å; Y139-R142 VanDerWaalsContact OH-CZ 3.23Å; Y139-R142 PolarHBondContact OH-NE 2.9Å; Y139-R142 PolarHBondContact OH-NH2 3.3Å; Y139-L147 HydrophobicContact CD2-CD2 3.73Å; Y139-L147 HydrophobicContact CE2-CD2 3.96Å; Y139-K152 HydrophobicContact CE1-CB 4.4Å; Y139-K152 HydrophobicContact CE1-CD 3.83Å; Y139-K152 HydrophobicContact CE2-CB 3.81Å; Y139-K152 VanDerWaalsContact OH-CB 3.24Å; Y139-K152 WeakPolarHBondContact OH-CB 3.44Å; Y139-K152 WeakPolarHBondContact OH-CD 3.29Å
140	E	96.8	Very high	97.3	Very high	96 Å²	96	45.4 Å²	45.4	45%	0.449	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-19.7	175.2	-65.2	-49.6	140.8	0	0	112.9	K136 M137 C138 R142	K136-E140 PolarHBondContact O-N 2.99Å; M137-E140 PolarHBondContact O-N 3.24Å; C138-E140 VanDerWaalsContact C-N 3.33Å; C138-E140 PolarHBondContact O-N 3.48Å; E140-R142 IonicContact OE2-NH1 3.76Å
141	R	97	Very high	97.3	Very high	88 Å²	88	43.8 Å²	43.8	33%	0.332	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	13.2	175.2	-65.8	179.3	68.2	-175.8	1.7	113.7	L91 M137 C138 Y139 R143 E144	L91-R141 HydrophobicContact CD1-CB 3.97Å; M137-R141 PolarHBondContact O-N 3.29Å; C138-R141 CarbonylContact O-C 3.55Å; C138-R141 PolarHBondContact O-N 3.46Å; Y139-R141 PolarHBondContact O-N 2.87Å; R141-R143 PolarHBondContact O-N 3Å; R141-E144 WeakPolarHBondContact CB-OE1 3.37Å; R141-E144 WeakPolarHBondContact CG-OE1 3.47Å; R141-E144 IonicContact CZ-OE1 2.79Å; R141-E144 IonicContact CZ-OE2 3.57Å; R141-E144 IonicContact NE-OE1 2.76Å; R141-E144 PolarHBondContact NE-OE1 3.17Å; R141-E144 IonicContact NE-OE2 2.79Å; R141-E144 PolarHBondContact NE-OE2 3.35Å; R141-E144 IonicContact NH2-OE1 3.18Å; R141-E144 PolarHBondContact NH2-OE1 3.45Å; R141-E144 IonicContact NH2-OE2 3.47Å; R141-E144 PolarHBondContact NH2-OE2 3.42Å; R141-E144 WeakPolarHBondContact O-CB 3.25Å; R141-E144 PolarHBondContact O-N 2.94Å
142	R	97	Very high	97.3	Very high	20 Å²	20	44.1 Å²	44.1	8%	0.075	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-5.9	-177.7	70.5	-169.9	179.3	-81.2	5.1	116.9	C138 Y139 E140 E144 F145 L147 E275 Y279	C138-R142 PolarHBondContact O-N 3.06Å; Y139-R142 VanDerWaalsContact CE2-CD 3.43Å; Y139-R142 VanDerWaalsContact CZ-CD 3.48Å; Y139-R142 VanDerWaalsContact CZ-CZ 3.48Å; Y139-R142 WeakPolarHBondContact O-CB 3.2Å; Y139-R142 VanDerWaalsContact O-CD 3.29Å; Y139-R142 WeakPolarHBondContact O-CD 3.39Å; Y139-R142 WeakPolarHBondContact O-CG 3.43Å; Y139-R142 PolarHBondContact O-N 2.89Å; Y139-R142 VanDerWaalsContact O-N 3.1Å; Y139-R142 PolarHBondContact O-NH1 2.89Å; Y139-R142 VanDerWaalsContact O-NH1 3.15Å; Y139-R142 VanDerWaalsContact OH-CZ 3.23Å; Y139-R142 PolarHBondContact OH-NE 2.9Å; Y139-R142 PolarHBondContact OH-NH2 3.3Å; E140-R142 IonicContact OE2-NH1 3.76Å; R142-E144 VanDerWaalsContact C-N 3.28Å; R142-F145 VanDerWaalsContact CA-CE1 3.47Å; R142-F145 HydrophobicContact CB-CE1 4.31Å; R142-F145 HydrophobicContact CB-CE2 4.34Å; R142-F145 HydrophobicContact CB-CZ 3.94Å; R142-L147 HydrophobicContact CB-CB 4.18Å; R142-L147 HydrophobicContact CB-CD2 3.83Å; R142-E275 IonicContact CZ-OE1 2.71Å; R142-E275 IonicContact NH2-OE1 3.41Å; R142-E275 PolarHBondContact NH2-OE1 3.03Å; R142-Y279 PolarHBondContact NH2-OH 2.78Å
143	R	95.3	Very high	97.3	Very high	84 Å²	84	46.3 Å²	46.3	32%	0.317	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-20.8	168.4	66.8	-177.9	176.5	-135.6	-4.1	112.6	R141 F145 Y279	R141-R143 PolarHBondContact O-N 3Å; R143-F145 VanDerWaalsContact C-N 3.34Å; R143-Y279 PolarHBondContact NH1-O 2.69Å
144	E	95.9	Very high	97.4	Very high	90 Å²	90	42 Å²	42	42%	0.421	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.9	-178	-59.4	175.2	-129.3	0	0	112.9	L91 R141 R142	L91-E144 HydrophobicContact CD2-CB 4.4Å; L91-E144 WeakPolarHBondContact CD2-OE2 3.48Å; R141-E144 WeakPolarHBondContact CB-OE1 3.37Å; R141-E144 WeakPolarHBondContact CG-OE1 3.47Å; R141-E144 IonicContact CZ-OE1 2.79Å; R141-E144 IonicContact CZ-OE2 3.57Å; R141-E144 IonicContact NE-OE1 2.76Å; R141-E144 PolarHBondContact NE-OE1 3.17Å; R141-E144 IonicContact NE-OE2 2.79Å; R141-E144 PolarHBondContact NE-OE2 3.35Å; R141-E144 IonicContact NH2-OE1 3.18Å; R141-E144 PolarHBondContact NH2-OE1 3.45Å; R141-E144 IonicContact NH2-OE2 3.47Å; R141-E144 PolarHBondContact NH2-OE2 3.42Å; R141-E144 WeakPolarHBondContact O-CB 3.25Å; R141-E144 PolarHBondContact O-N 2.94Å; R142-E144 VanDerWaalsContact C-N 3.28Å
145	F	97	Very high	97.4	Very high	27 Å²	27	42.3 Å²	42.3	12%	0.118	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-152.1	169.5	178.9	59.9	-88.7	0	0	0	111.3	T83 M84 A87 L91 C138 R142 R143 L147	T83-F145 HydrophobicContact CG2-CD2 3.69Å; T83-F145 HydrophobicContact CG2-CE2 4.01Å; M84-F145 HydrophobicContact CG-CE2 4.15Å; M84-F145 HydrophobicContact CG-CZ 4.37Å; A87-F145 HydrophobicContact CB-CB 4.23Å; A87-F145 HydrophobicContact CB-CD1 3.55Å; A87-F145 HydrophobicContact CB-CD2 3.73Å; A87-F145 HydrophobicContact CB-CE1 3.66Å; A87-F145 HydrophobicContact CB-CE2 3.83Å; A87-F145 HydrophobicContact CB-CG 3.58Å; A87-F145 HydrophobicContact CB-CZ 3.8Å; L91-F145 HydrophobicContact CD1-CD1 4.07Å; L91-F145 HydrophobicContact CD1-CE1 4.05Å; C138-F145 WeakPolarHBondContact O-CE1 3.48Å; C138-F145 WeakPolarHBondContact O-CZ 3.34Å; R142-F145 VanDerWaalsContact CA-CE1 3.47Å; R142-F145 HydrophobicContact CB-CE1 4.31Å; R142-F145 HydrophobicContact CB-CE2 4.34Å; R142-F145 HydrophobicContact CB-CZ 3.94Å; R143-F145 VanDerWaalsContact C-N 3.34Å; F145-L147 HydrophobicContact CD2-CB 4.03Å; F145-L147 HydrophobicContact CE2-CB 3.72Å; F145-L147 HydrophobicContact CE2-CD1 4.38Å; F145-L147 HydrophobicContact CE2-CD2 4.08Å; F145-L147 HydrophobicContact CE2-CG 4.27Å; F145-L147 HydrophobicContact CZ-CD2 4.47Å; F145-L147 PolarHBondContact O-N 2.87Å
146	Q	96.5	Very high	97.4	Very high	64 Å²	64	47 Å²	47	30%	0.299	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	83.9	-170.5	-57.7	-63.7	-24.5	0	0	111.8	T83 V232 V234	T83-Q146 VanDerWaalsContact CG2-O 3.25Å; T83-Q146 WeakPolarHBondContact CG2-O 3.45Å; Q146-V232 PolarHBondContact NE2-O 3.35Å; Q146-V234 HydrophobicContact CB-CG2 4.39Å; Q146-V234 HydrophobicContact CG-CG2 3.91Å
147	L	97.5	Very high	97.4	Very high	12 Å²	12	46 Å²	46	6%	0.063	22%	0.218	C	C	.	.			trans	-108.6	136.2	177.2	-169.8	65.3	0	0	0	112	A80 T83 M84 Y139 R142 F145 S151	A80-L147 HydrophobicContact CB-CD1 4.08Å; T83-L147 HydrophobicContact CG2-CB 4.45Å; T83-L147 HydrophobicContact CG2-CD1 3.97Å; M84-L147 HydrophobicContact CG-CD1 3.83Å; M84-L147 HydrophobicContact CG-CD2 3.98Å; M84-L147 HydrophobicContact SD-CD2 4Å; Y139-L147 HydrophobicContact CD2-CD2 3.73Å; Y139-L147 HydrophobicContact CE2-CD2 3.96Å; R142-L147 HydrophobicContact CB-CB 4.18Å; R142-L147 HydrophobicContact CB-CD2 3.83Å; F145-L147 HydrophobicContact CD2-CB 4.03Å; F145-L147 HydrophobicContact CE2-CB 3.72Å; F145-L147 HydrophobicContact CE2-CD1 4.38Å; F145-L147 HydrophobicContact CE2-CD2 4.08Å; F145-L147 HydrophobicContact CE2-CG 4.27Å; F145-L147 HydrophobicContact CZ-CD2 4.47Å; F145-L147 PolarHBondContact O-N 2.87Å; L147-S151 WeakPolarHBondContact CD1-OG 3.42Å; L147-S151 WeakPolarHBondContact CG-OG 3.27Å
148	S	96.2	Very high	97.4	Very high	35 Å²	35	41.4 Å²	41.4	25%	0.245	20%	0.195	C	C	.	.			trans	-62.9	135.4	175	174.4	0	0	0	0	111.5	S150 S151	S148-S150 PolarHBondContact O-N 2.97Å; S148-S150 VanDerWaalsContact O-N 3.1Å; S148-S150 PolarHBondContact OG-N 3.48Å; S148-S151 VanDerWaalsContact O-CB 3.27Å; S148-S151 WeakPolarHBondContact O-CB 3.46Å; S148-S151 PolarHBondContact O-N 3.35Å; S148-S151 PolarHBondContact O-OG 3.02Å
149	D	95.7	Very high	97.4	Very high	46 Å²	46	46.2 Å²	46.2	25%	0.246	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28	174.9	-73	-32.8	0	0	0	113	S151 N227 K269 I272	D149-S151 VanDerWaalsContact C-N 3.28Å; D149-S151 PolarHBondContact O-N 3.2Å; D149-N227 VanDerWaalsContact CG-ND2 3.27Å; D149-N227 PolarHBondContact OD1-ND2 3.45Å; D149-N227 PolarHBondContact OD2-ND2 3.03Å; D149-K269 WeakPolarHBondContact OD2-CE 3.44Å; D149-K269 IonicContact OD2-NZ 2.55Å; D149-K269 PolarHBondContact OD2-NZ 3.18Å; D149-I272 HydrophobicContact CB-CD1 3.63Å
150	S	97.7	Very high	97.4	Very high	17 Å²	17	49.9 Å²	49.9	12%	0.119	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-7.6	-179.3	-59.7	0	0	0	0	113.8	S148 K152 Y153 Y154 R175	S148-S150 PolarHBondContact O-N 2.97Å; S148-S150 VanDerWaalsContact O-N 3.1Å; S148-S150 PolarHBondContact OG-N 3.48Å; S150-K152 PolarHBondContact O-N 3.11Å; S150-Y153 WeakPolarHBondContact O-CB 3.47Å; S150-Y153 PolarHBondContact O-N 2.94Å; S150-Y154 VanDerWaalsContact O-CD2 3.31Å; S150-Y154 WeakPolarHBondContact O-CD2 3.19Å; S150-Y154 PolarHBondContact O-N 2.79Å; S150-Y154 VanDerWaalsContact O-N 3.08Å; S150-R175 WeakPolarHBondContact CB-O 3.38Å; S150-R175 WeakPolarHBondContact OG-CB 3.4Å; S150-R175 PolarHBondContact OG-O 3.24Å
151	S	98.3	Very high	97.5	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-50.9	-173	-55.1	0	0	0	0	112.2	A80 L147 S148 D149 Y153 Y154 L155	A80-S151 WeakPolarHBondContact CB-OG 3.13Å; L147-S151 WeakPolarHBondContact CD1-OG 3.42Å; L147-S151 WeakPolarHBondContact CG-OG 3.27Å; S148-S151 VanDerWaalsContact O-CB 3.27Å; S148-S151 WeakPolarHBondContact O-CB 3.46Å; S148-S151 PolarHBondContact O-N 3.35Å; S148-S151 PolarHBondContact O-OG 3.02Å; D149-S151 VanDerWaalsContact C-N 3.28Å; D149-S151 PolarHBondContact O-N 3.2Å; S151-Y153 VanDerWaalsContact C-N 3.31Å; S151-Y153 PolarHBondContact O-N 2.92Å; S151-Y154 PolarHBondContact O-N 2.89Å; S151-L155 WeakPolarHBondContact O-CB 3.44Å; S151-L155 VanDerWaalsContact O-CG 3.24Å; S151-L155 WeakPolarHBondContact O-CG 3.07Å; S151-L155 PolarHBondContact O-N 2.8Å
152	K	97.8	Very high	97.5	Very high	63 Å²	63	41.7 Å²	41.7	27%	0.274	20%	0.202	S	C	.	.	H	α-helix	trans	-60.3	-39	177.7	175.6	175.8	173.2	-173.6	0	112.6	Y139 S150 N156 E275	Y139-K152 HydrophobicContact CE1-CB 4.4Å; Y139-K152 HydrophobicContact CE1-CD 3.83Å; Y139-K152 HydrophobicContact CE2-CB 3.81Å; Y139-K152 VanDerWaalsContact OH-CB 3.24Å; Y139-K152 WeakPolarHBondContact OH-CB 3.44Å; Y139-K152 WeakPolarHBondContact OH-CD 3.29Å; S150-K152 PolarHBondContact O-N 3.11Å; K152-N156 WeakPolarHBondContact O-CB 3.33Å; K152-N156 PolarHBondContact O-N 3.32Å; K152-N156 PolarHBondContact O-ND2 2.9Å; K152-E275 IonicContact NZ-OE1 3.26Å; K152-E275 PolarHBondContact NZ-OE1 2.98Å; K152-E275 IonicContact NZ-OE2 2.76Å; K152-E275 PolarHBondContact NZ-OE2 2.86Å
153	Y	98.5	Very high	97.5	Very high	45 Å²	45	44.4 Å²	44.4	18%	0.176	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-51	176.8	168.7	-93	0	0	0	111.1	S150 S151 N157 R160 Q171 D172 R175	S150-Y153 WeakPolarHBondContact O-CB 3.47Å; S150-Y153 PolarHBondContact O-N 2.94Å; S151-Y153 VanDerWaalsContact C-N 3.31Å; S151-Y153 PolarHBondContact O-N 2.92Å; Y153-N157 WeakPolarHBondContact O-CB 3.44Å; Y153-N157 PolarHBondContact O-N 3.01Å; Y153-N157 VanDerWaalsContact O-N 3.11Å; Y153-N157 PolarHBondContact O-ND2 3.12Å; Y153-R160 PolarHBondContact OH-NH2 3.28Å; Y153-Q171 WeakPolarHBondContact OH-CB 3.5Å; Y153-D172 VanDerWaalsContact CE1-OD1 3.32Å; Y153-D172 WeakPolarHBondContact CE1-OD1 3.35Å; Y153-D172 PolarHBondContact OH-OD1 3.14Å; Y153-R175 HydrophobicContact CD1-CB 4.41Å; Y153-R175 HydrophobicContact CD1-CG 4.4Å
154	Y	98.6	Very high	97.5	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-42.6	-177.7	-70.1	-53.9	0	0	0	112.3	V73 N76 I77 S150 S151 N156 N157 F158 I161 D172 R175 V176	V73-Y154 HydrophobicContact CG1-CD1 4.01Å; V73-Y154 HydrophobicContact CG1-CE1 3.79Å; V73-Y154 HydrophobicContact CG2-CE1 4.24Å; N76-Y154 HydrophobicContact CB-CE2 4.18Å; I77-Y154 HydrophobicContact CD1-CG 4.49Å; I77-Y154 HydrophobicContact CG1-CG 4.11Å; S150-Y154 VanDerWaalsContact O-CD2 3.31Å; S150-Y154 WeakPolarHBondContact O-CD2 3.19Å; S150-Y154 PolarHBondContact O-N 2.79Å; S150-Y154 VanDerWaalsContact O-N 3.08Å; S151-Y154 PolarHBondContact O-N 2.89Å; Y154-N156 PolarHBondContact O-N 2.83Å; Y154-N157 CarbonylContact O-C 3.31Å; Y154-N157 VanDerWaalsContact O-C 3.31Å; Y154-N157 PolarHBondContact O-N 3.36Å; Y154-N157 VanDerWaalsContact O-N 3.12Å; Y154-F158 WeakPolarHBondContact O-CA 3.47Å; Y154-F158 PolarHBondContact O-N 3.2Å; Y154-I161 HydrophobicContact CD1-CD1 3.69Å; Y154-I161 HydrophobicContact CG-CD1 4.48Å; Y154-D172 HydrophobicContact CE1-CB 4.25Å; Y154-D172 PolarHBondContact OH-O 3.38Å; Y154-R175 HydrophobicContact CE2-CB 4.29Å; Y154-V176 WeakPolarHBondContact OH-CA 3.45Å; Y154-V176 WeakPolarHBondContact OH-CB 3.24Å; Y154-V176 PolarHBondContact OH-N 2.91Å
155	L	98.5	Very high	97.4	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-36.3	-179.6	-64.9	171	0	0	0	112.1	I77 M81 M84 I126 W130 S151 N157 F158	I77-L155 HydrophobicContact CG2-CD2 4.25Å; M81-L155 HydrophobicContact CG-CD2 4.1Å; M81-L155 HydrophobicContact SD-CD1 4.09Å; M81-L155 HydrophobicContact SD-CD2 3.55Å; M81-L155 VanDerWaalsContact SD-CD2 3.55Å; M81-L155 HydrophobicContact SD-CG 4.49Å; M84-L155 HydrophobicContact CE-CD1 3.49Å; M84-L155 VanDerWaalsContact CE-CD1 3.49Å; I126-L155 HydrophobicContact CG2-CD2 3.99Å; W130-L155 HydrophobicContact CD2-CB 3.76Å; W130-L155 HydrophobicContact CD2-CD1 3.86Å; W130-L155 HydrophobicContact CD2-CG 4.34Å; W130-L155 HydrophobicContact CE3-CB 4.42Å; W130-L155 HydrophobicContact CE3-CD1 3.65Å; W130-L155 HydrophobicContact CG-CB 3.9Å; W130-L155 HydrophobicContact CG-CD1 4.49Å; W130-L155 HydrophobicContact CH2-CD1 4.25Å; W130-L155 HydrophobicContact CZ2-CB 4.12Å; W130-L155 HydrophobicContact CZ2-CD1 4.42Å; W130-L155 HydrophobicContact CZ3-CD1 3.86Å; S151-L155 WeakPolarHBondContact O-CB 3.44Å; S151-L155 VanDerWaalsContact O-CG 3.24Å; S151-L155 WeakPolarHBondContact O-CG 3.07Å; S151-L155 PolarHBondContact O-N 2.8Å; L155-N157 VanDerWaalsContact C-N 3.28Å; L155-N157 PolarHBondContact O-N 2.78Å; L155-F158 VanDerWaalsContact O-CB 3.32Å; L155-F158 WeakPolarHBondContact O-CB 3.47Å; L155-F158 PolarHBondContact O-N 3.39Å
156	N	98.3	Very high	97.5	Very high	99 Å²	99	47.5 Å²	47.5	53%	0.529	25%	0.25	S	S	.	.	H	α-helix	trans	-72.3	-20.9	173.4	-71	-7.2	0	0	0	113.5	W130 K152 Y154	W130-N156 PolarHBondContact NE1-OD1 2.77Å; W130-N156 VanDerWaalsContact NE1-OD1 3.08Å; K152-N156 WeakPolarHBondContact O-CB 3.33Å; K152-N156 PolarHBondContact O-N 3.32Å; K152-N156 PolarHBondContact O-ND2 2.9Å; Y154-N156 PolarHBondContact O-N 2.83Å
157	N	98.5	Very high	97.5	Very high	54 Å²	54	47.5 Å²	47.5	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	14.1	176.3	-74	-94.4	0	0	0	112.1	Y153 Y154 L155 D159 R160 I161	Y153-N157 WeakPolarHBondContact O-CB 3.44Å; Y153-N157 PolarHBondContact O-N 3.01Å; Y153-N157 VanDerWaalsContact O-N 3.11Å; Y153-N157 PolarHBondContact O-ND2 3.12Å; Y154-N157 CarbonylContact O-C 3.31Å; Y154-N157 VanDerWaalsContact O-C 3.31Å; Y154-N157 PolarHBondContact O-N 3.36Å; Y154-N157 VanDerWaalsContact O-N 3.12Å; L155-N157 VanDerWaalsContact C-N 3.28Å; L155-N157 PolarHBondContact O-N 2.78Å; N157-D159 VanDerWaalsContact C-N 3.28Å; N157-D159 PolarHBondContact O-N 2.84Å; N157-R160 WeakPolarHBondContact O-CB 3.21Å; N157-R160 PolarHBondContact O-N 3.44Å; N157-R160 VanDerWaalsContact O-N 3.11Å; N157-I161 HydrophobicContact CB-CD1 4.03Å; N157-I161 WeakPolarHBondContact O-CG1 3.38Å; N157-I161 PolarHBondContact O-N 3.41Å; N157-I161 VanDerWaalsContact O-N 3.16Å
158	F	98.5	Very high	97.6	Very high	7 Å²	7	47 Å²	47	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-36.1	-167.6	-176	-112.9	0	0	0	112.4	I77 L118 I123 I126 R127 Y154 L155 R160 I161 A162	I77-F158 HydrophobicContact CD1-CD2 4.15Å; I77-F158 HydrophobicContact CD1-CE2 4.4Å; I77-F158 HydrophobicContact CG2-CD2 4.27Å; I77-F158 HydrophobicContact CG2-CE2 4.12Å; L118-F158 HydrophobicContact CD1-CE2 4.26Å; L118-F158 HydrophobicContact CD2-CE2 4.15Å; L118-F158 HydrophobicContact CD2-CZ 4.18Å; I123-F158 HydrophobicContact CB-CE1 4.35Å; I123-F158 HydrophobicContact CB-CZ 4.48Å; I123-F158 HydrophobicContact CG1-CZ 4.35Å; I123-F158 HydrophobicContact CG2-CE1 3.9Å; I123-F158 HydrophobicContact CG2-CZ 4.42Å; I126-F158 HydrophobicContact CB-CD1 4.35Å; I126-F158 HydrophobicContact CB-CE1 3.74Å; I126-F158 HydrophobicContact CB-CE2 4.39Å; I126-F158 HydrophobicContact CB-CZ 3.77Å; I126-F158 HydrophobicContact CD1-CE1 4.43Å; I126-F158 HydrophobicContact CD1-CE2 3.77Å; I126-F158 HydrophobicContact CD1-CZ 3.57Å; I126-F158 HydrophobicContact CG1-CZ 4.25Å; I126-F158 HydrophobicContact CG2-CD1 3.8Å; I126-F158 HydrophobicContact CG2-CD2 4.06Å; I126-F158 HydrophobicContact CG2-CE1 3.67Å; I126-F158 HydrophobicContact CG2-CE2 3.96Å; I126-F158 HydrophobicContact CG2-CG 3.99Å; I126-F158 HydrophobicContact CG2-CZ 3.76Å; R127-F158 HydrophobicContact CG-CD1 4.01Å; R127-F158 HydrophobicContact CG-CE1 4.16Å; Y154-F158 WeakPolarHBondContact O-CA 3.47Å; Y154-F158 PolarHBondContact O-N 3.2Å; L155-F158 VanDerWaalsContact O-CB 3.32Å; L155-F158 WeakPolarHBondContact O-CB 3.47Å; L155-F158 PolarHBondContact O-N 3.39Å; F158-R160 VanDerWaalsContact C-N 3.33Å; F158-R160 PolarHBondContact O-N 2.88Å; F158-I161 CarbonylContact O-C 3.56Å; F158-I161 PolarHBondContact O-N 3.47Å; F158-A162 HydrophobicContact CD1-CB 4.46Å; F158-A162 HydrophobicContact CE1-CB 4.12Å; F158-A162 HydrophobicContact CE2-CB 4.43Å; F158-A162 HydrophobicContact CZ-CB 4.1Å; F158-A162 VanDerWaalsContact O-CB 3.23Å; F158-A162 WeakPolarHBondContact O-CB 3.37Å; F158-A162 PolarHBondContact O-N 3.23Å
159	D	97.6	Very high	97.7	Very high	100 Å²	100	47.3 Å²	47.3	54%	0.535	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-38.2	177.8	-69.3	-39.4	0	0	0	113.1	R127 N157 I161 D163	R127-D159 IonicContact CZ-OD1 3.45Å; R127-D159 IonicContact NE-OD1 2.65Å; R127-D159 PolarHBondContact NE-OD1 2.75Å; R127-D159 IonicContact NH2-OD1 3.94Å; R127-D159 PolarHBondContact NH2-OD1 3.25Å; N157-D159 VanDerWaalsContact C-N 3.28Å; N157-D159 PolarHBondContact O-N 2.84Å; D159-I161 VanDerWaalsContact C-N 3.31Å; D159-D163 PolarHBondContact O-N 3.1Å
160	R	98.2	Very high	97.8	Very high	89 Å²	89	48.4 Å²	48.4	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-67.4	-34.2	173.4	179.2	-176.7	61.3	77.7	0	111.8	Y153 N157 F158 Y166 D172	Y153-R160 PolarHBondContact OH-NH2 3.28Å; N157-R160 WeakPolarHBondContact O-CB 3.21Å; N157-R160 PolarHBondContact O-N 3.44Å; N157-R160 VanDerWaalsContact O-N 3.11Å; F158-R160 VanDerWaalsContact C-N 3.33Å; F158-R160 PolarHBondContact O-N 2.88Å; R160-Y166 WeakPolarHBondContact O-CD2 3.45Å; R160-D172 IonicContact CZ-OD1 3.96Å; R160-D172 IonicContact CZ-OD2 3.85Å; R160-D172 IonicContact NH1-OD1 3.76Å; R160-D172 IonicContact NH1-OD2 3.41Å; R160-D172 PolarHBondContact NH1-OD2 2.92Å; R160-D172 IonicContact NH2-OD1 2.83Å; R160-D172 PolarHBondContact NH2-OD1 3.2Å; R160-D172 IonicContact NH2-OD2 2.92Å; R160-D172 PolarHBondContact NH2-OD2 3.29Å
161	I	98.2	Very high	97.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-81.1	-30.2	-176.4	-66.2	165.5	0	0	0	111.8	V73 Y74 I77 Y154 N157 F158 D159 D163 Y166	V73-I161 HydrophobicContact CG1-CD1 4.47Å; V73-I161 HydrophobicContact CG1-CG2 3.96Å; Y74-I161 HydrophobicContact CD1-CG2 4.06Å; Y74-I161 HydrophobicContact CE1-CG2 3.65Å; Y74-I161 PolarHBondContact OH-O 2.97Å; I77-I161 HydrophobicContact CD1-CD1 4.24Å; I77-I161 HydrophobicContact CD1-CG2 3.72Å; Y154-I161 HydrophobicContact CD1-CD1 3.69Å; Y154-I161 HydrophobicContact CG-CD1 4.48Å; N157-I161 HydrophobicContact CB-CD1 4.03Å; N157-I161 WeakPolarHBondContact O-CG1 3.38Å; N157-I161 PolarHBondContact O-N 3.41Å; N157-I161 VanDerWaalsContact O-N 3.16Å; F158-I161 CarbonylContact O-C 3.56Å; F158-I161 PolarHBondContact O-N 3.47Å; D159-I161 VanDerWaalsContact C-N 3.31Å; I161-D163 VanDerWaalsContact C-N 3.3Å; I161-Y166 HydrophobicContact CB-CE1 4.46Å; I161-Y166 HydrophobicContact CB-CE2 4.43Å; I161-Y166 HydrophobicContact CG1-CE2 4Å; I161-Y166 HydrophobicContact CG2-CD1 4.15Å; I161-Y166 HydrophobicContact CG2-CE1 3.82Å; I161-Y166 WeakPolarHBondContact O-CB 3.36Å; I161-Y166 VanDerWaalsContact O-CD1 3.28Å; I161-Y166 WeakPolarHBondContact O-CD1 3.33Å
162	A	97.6	Very high	97.8	Very high	12 Å²	12	50.4 Å²	50.4	10%	0.099	26%	0.264	C	S	.	.	S	Bend	trans	-82.9	-6.5	177.5	0	0	0	0	0	113.3	L118 I123 F158	L118-A162 HydrophobicContact CD1-CB 4.14Å; I123-A162 HydrophobicContact CD1-CB 4.12Å; I123-A162 HydrophobicContact CG1-CB 4.1Å; I123-A162 HydrophobicContact CG2-CB 4.05Å; F158-A162 HydrophobicContact CD1-CB 4.46Å; F158-A162 HydrophobicContact CE1-CB 4.12Å; F158-A162 HydrophobicContact CE2-CB 4.43Å; F158-A162 HydrophobicContact CZ-CB 4.1Å; F158-A162 VanDerWaalsContact O-CB 3.23Å; F158-A162 WeakPolarHBondContact O-CB 3.37Å; F158-A162 PolarHBondContact O-N 3.23Å
163	D	96.8	Very high	97.9	Very high	77 Å²	77	47.4 Å²	47.4	41%	0.412	25%	0.251	S	S	.	.	S	Bend	trans	-60.3	134.6	173.1	-167.3	-77.3	0	0	0	110.5	D159 I161 D165 Y166	D159-D163 PolarHBondContact O-N 3.1Å; I161-D163 VanDerWaalsContact C-N 3.3Å; D163-D165 PolarHBondContact O-N 3.06Å; D163-D165 WeakPolarHBondContact OD1-CA 3.2Å; D163-D165 WeakPolarHBondContact OD1-CB 3.45Å; D163-D165 PolarHBondContact OD1-N 3.37Å; D163-Y166 WeakPolarHBondContact O-CB 3.33Å; D163-Y166 PolarHBondContact O-N 3.36Å
164	P	94.7	Very high	97.9	Very high	109 Å²	109	45.3 Å²	45.3	71%	0.708	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.1	178.5	-27	35.9	0	0	0	113.8	K70 Y166	K70-P164 PolarHBondContact NZ-O 3.35Å; P164-Y166 PolarHBondContact O-N 2.91Å
165	D	95.7	Very high	97.8	Very high	149 Å²	149	47.7 Å²	47.7	80%	0.797	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	12.6	179.8	-62.1	-36	0	0	0	112.1	D163 L167	D163-D165 PolarHBondContact O-N 3.06Å; D163-D165 WeakPolarHBondContact OD1-CA 3.2Å; D163-D165 WeakPolarHBondContact OD1-CB 3.45Å; D163-D165 PolarHBondContact OD1-N 3.37Å; D165-L167 PolarHBondContact O-N 3.13Å; D165-L167 VanDerWaalsContact O-N 3.11Å
166	Y	97.4	Very high	97.8	Very high	8 Å²	8	47.6 Å²	47.6	3%	0.031	25%	0.252	C	S	.	.			trans	-55.9	119.4	178	171.2	-120.6	0	0	0	111.7	K70 V73 Y74 R160 I161 D163 P164 P168 D172	K70-Y166 HydrophobicContact CD-CD1 4.36Å; K70-Y166 WeakPolarHBondContact CE-O 3.3Å; K70-Y166 HydrophobicContact CG-CD1 4.03Å; K70-Y166 HydrophobicContact CG-CE1 4.24Å; K70-Y166 PolarHBondContact NZ-O 3.49Å; V73-Y166 HydrophobicContact CG1-CE1 4.42Å; Y74-Y166 AromaticContact CE1-CD1 3.93Å; Y74-Y166 HydrophobicContact CE1-CD1 3.93Å; Y74-Y166 HydrophobicContact CE1-CE1 4.03Å; R160-Y166 WeakPolarHBondContact O-CD2 3.45Å; I161-Y166 HydrophobicContact CB-CE1 4.46Å; I161-Y166 HydrophobicContact CB-CE2 4.43Å; I161-Y166 HydrophobicContact CG1-CE2 4Å; I161-Y166 HydrophobicContact CG2-CD1 4.15Å; I161-Y166 HydrophobicContact CG2-CE1 3.82Å; I161-Y166 WeakPolarHBondContact O-CB 3.36Å; I161-Y166 VanDerWaalsContact O-CD1 3.28Å; I161-Y166 WeakPolarHBondContact O-CD1 3.33Å; D163-Y166 WeakPolarHBondContact O-CB 3.33Å; D163-Y166 PolarHBondContact O-N 3.36Å; P164-Y166 PolarHBondContact O-N 2.91Å; Y166-P168 HydrophobicContact CE1-CG 3.86Å; Y166-P168 WeakPolarHBondContact OH-CA 3.41Å; Y166-D172 WeakPolarHBondContact OH-CB 3.17Å; Y166-D172 PolarHBondContact OH-OD2 2.8Å
167	L	97.9	Very high	97.7	Very high	63 Å²	63	45.6 Å²	45.6	33%	0.33	24%	0.237	S	C	.	.			trans	-114.7	126.7	166	-173.9	68.5	0	0	0	109	D63 K66 E67 D165 S169	D63-L167 HydrophobicContact CB-CD2 4.2Å; K66-L167 HydrophobicContact CB-CD1 3.71Å; K66-L167 HydrophobicContact CB-CG 4.01Å; K66-L167 HydrophobicContact CD-CD2 3.97Å; K66-L167 HydrophobicContact CD-CG 4.1Å; E67-L167 HydrophobicContact CB-CD1 4.49Å; E67-L167 WeakPolarHBondContact OE2-CD1 3.27Å; D165-L167 PolarHBondContact O-N 3.13Å; D165-L167 VanDerWaalsContact O-N 3.11Å; L167-S169 PolarHBondContact O-N 2.98Å
168	P	98.4	Very high	97.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.013	24%	0.243	C	C	.	.			trans	-55.5	125.9	179.2	-31.2	38.8	0	0	0	113.7	K66 F69 K70 Y166 D172 I173	K66-P168 WeakPolarHBondContact CD-O 3.29Å; K66-P168 WeakPolarHBondContact O-CD 3.44Å; K66-P168 WeakPolarHBondContact O-CG 3.47Å; F69-P168 HydrophobicContact CB-CB 4.2Å; F69-P168 HydrophobicContact CB-CG 4.12Å; K70-P168 HydrophobicContact CB-CG 4.28Å; Y166-P168 HydrophobicContact CE1-CG 3.86Å; Y166-P168 WeakPolarHBondContact OH-CA 3.41Å; P168-D172 HydrophobicContact CB-CB 4.13Å; P168-I173 HydrophobicContact CB-CG1 4.22Å
169	S	98.2	Very high	97.3	Very high	41 Å²	41	49.7 Å²	49.7	29%	0.287	27%	0.265	S	S	.	.			trans	-71.9	164.8	171	69.9	0	0	0	0	110.9	L167 Q171 D172 I173	L167-S169 PolarHBondContact O-N 2.98Å; S169-Q171 PolarHBondContact O-N 2.94Å; S169-Q171 PolarHBondContact OG-N 3.15Å; S169-D172 WeakPolarHBondContact CB-OD2 3.35Å; S169-D172 PolarHBondContact N-OD2 3.5Å; S169-D172 WeakPolarHBondContact O-CB 3.48Å; S169-D172 PolarHBondContact O-N 2.88Å; S169-D172 VanDerWaalsContact O-N 3.07Å; S169-D172 PolarHBondContact OG-N 2.9Å; S169-D172 VanDerWaalsContact OG-N 3.12Å; S169-D172 PolarHBondContact OG-OD2 3.01Å; S169-I173 WeakPolarHBondContact O-CG1 3.21Å; S169-I173 PolarHBondContact O-N 3.17Å
170	L	98.1	Very high	97.2	Very high	70 Å²	70	45.9 Å²	45.9	37%	0.366	25%	0.246	S	C	.	.	H	α-helix	trans	-57.6	-32.3	171.9	-65.3	-178.1	0	0	0	111.9	I55 Y61 I173 L174	I55-L170 HydrophobicContact CD1-CB 4.39Å; I55-L170 HydrophobicContact CD1-CD1 4.48Å; I55-L170 HydrophobicContact CD1-CD2 4.18Å; I55-L170 HydrophobicContact CG1-CD2 4.24Å; I55-L170 HydrophobicContact CG2-CD1 4.17Å; Y61-L170 HydrophobicContact CD2-CD2 3.77Å; L170-I173 PolarHBondContact O-N 2.96Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 3.15Å
171	Q	98.2	Very high	97	Very high	62 Å²	62	46.5 Å²	46.5	29%	0.29	26%	0.259	S	S	.	.	H	α-helix	trans	-73.4	-30.9	177.4	-75.2	-60.4	-4.2	0	0	113.4	Y153 S169 R175 T326	Y153-Q171 WeakPolarHBondContact OH-CB 3.5Å; S169-Q171 PolarHBondContact O-N 2.94Å; S169-Q171 PolarHBondContact OG-N 3.15Å; Q171-R175 WeakPolarHBondContact O-CB 3.43Å; Q171-R175 WeakPolarHBondContact O-CG 3.45Å; Q171-R175 PolarHBondContact O-N 3.45Å; Q171-R175 PolarHBondContact O-NH1 3.38Å; Q171-T326 PolarHBondContact NE2-O 3.29Å; Q171-T326 PolarHBondContact OE1-O 3.45Å
172	D	98.6	Very high	96.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-43.4	169.8	-59.2	-46	0	0	0	110.2	V73 Y153 Y154 R160 Y166 P168 S169 R175 V176	V73-D172 HydrophobicContact CG2-CB 4.26Å; Y153-D172 VanDerWaalsContact CE1-OD1 3.32Å; Y153-D172 WeakPolarHBondContact CE1-OD1 3.35Å; Y153-D172 PolarHBondContact OH-OD1 3.14Å; Y154-D172 HydrophobicContact CE1-CB 4.25Å; Y154-D172 PolarHBondContact OH-O 3.38Å; R160-D172 IonicContact CZ-OD1 3.96Å; R160-D172 IonicContact CZ-OD2 3.85Å; R160-D172 IonicContact NH1-OD1 3.76Å; R160-D172 IonicContact NH1-OD2 3.41Å; R160-D172 PolarHBondContact NH1-OD2 2.92Å; R160-D172 IonicContact NH2-OD1 2.83Å; R160-D172 PolarHBondContact NH2-OD1 3.2Å; R160-D172 IonicContact NH2-OD2 2.92Å; R160-D172 PolarHBondContact NH2-OD2 3.29Å; Y166-D172 WeakPolarHBondContact OH-CB 3.17Å; Y166-D172 PolarHBondContact OH-OD2 2.8Å; P168-D172 HydrophobicContact CB-CB 4.13Å; S169-D172 WeakPolarHBondContact CB-OD2 3.35Å; S169-D172 PolarHBondContact N-OD2 3.5Å; S169-D172 WeakPolarHBondContact O-CB 3.48Å; S169-D172 PolarHBondContact O-N 2.88Å; S169-D172 VanDerWaalsContact O-N 3.07Å; S169-D172 PolarHBondContact OG-N 2.9Å; S169-D172 VanDerWaalsContact OG-N 3.12Å; S169-D172 PolarHBondContact OG-OD2 3.01Å; D172-R175 PolarHBondContact O-N 3.01Å; D172-V176 PolarHBondContact O-N 3.17Å
173	I	98.5	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-39.4	179	-66.3	172.7	0	0	0	111.8	K51 Y61 K66 F69 P168 S169 L170 R175 V176	K51-I173 HydrophobicContact CD-CG2 4.3Å; K51-I173 WeakPolarHBondContact CD-O 3.4Å; K51-I173 WeakPolarHBondContact CE-O 3.28Å; K51-I173 PolarHBondContact NZ-O 3.35Å; Y61-I173 HydrophobicContact CD1-CD1 4.35Å; Y61-I173 HydrophobicContact CD2-CD1 4.24Å; Y61-I173 HydrophobicContact CD2-CG2 4.32Å; Y61-I173 HydrophobicContact CE1-CG2 4.08Å; Y61-I173 HydrophobicContact CE2-CG2 3.87Å; Y61-I173 HydrophobicContact CG-CD1 4Å; K66-I173 HydrophobicContact CB-CD1 4.4Å; K66-I173 HydrophobicContact CG-CD1 3.82Å; F69-I173 HydrophobicContact CB-CG1 4.2Å; F69-I173 HydrophobicContact CD1-CG1 4.48Å; F69-I173 HydrophobicContact CD2-CD1 3.79Å; F69-I173 HydrophobicContact CD2-CG1 3.73Å; F69-I173 HydrophobicContact CD2-CG2 4.3Å; F69-I173 HydrophobicContact CE1-CG2 4.22Å; F69-I173 HydrophobicContact CE2-CD1 4.17Å; F69-I173 HydrophobicContact CE2-CG1 4.21Å; F69-I173 HydrophobicContact CE2-CG2 3.95Å; F69-I173 HydrophobicContact CG-CD1 4.43Å; F69-I173 HydrophobicContact CG-CG1 3.89Å; F69-I173 HydrophobicContact CZ-CG2 3.9Å; P168-I173 HydrophobicContact CB-CG1 4.22Å; S169-I173 WeakPolarHBondContact O-CG1 3.21Å; S169-I173 PolarHBondContact O-N 3.17Å; L170-I173 PolarHBondContact O-N 2.96Å; I173-R175 VanDerWaalsContact C-N 3.27Å; I173-R175 PolarHBondContact O-N 3.02Å; I173-V176 WeakPolarHBondContact O-CG1 3.45Å
174	L	98.4	Very high	96.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-66.1	-32.2	177.3	-74.6	168.8	0	0	0	112.2	T48 K51 Q52 I55 L170 T326	T48-L174 HydrophobicContact CG2-CB 4.3Å; T48-L174 HydrophobicContact CG2-CD2 3.87Å; T48-L174 WeakPolarHBondContact CG2-O 3.5Å; T48-L174 PolarHBondContact OG1-O 3.19Å; K51-L174 HydrophobicContact CB-CD2 3.89Å; Q52-L174 HydrophobicContact CG-CD2 3.69Å; I55-L174 HydrophobicContact CD1-CD1 4.21Å; I55-L174 HydrophobicContact CD1-CD2 3.99Å; I55-L174 HydrophobicContact CD1-CG 4.09Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 3.15Å; L174-T326 HydrophobicContact CB-CG2 4.31Å
175	R	98.3	Very high	96.2	Very high	52 Å²	52	48.9 Å²	48.9	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-90.3	-16.8	-176.9	-78.8	-176.2	-179.9	74.7	5.7	115.1	S150 Y153 Y154 Q171 D172 I173 R177 T326	S150-R175 WeakPolarHBondContact CB-O 3.38Å; S150-R175 WeakPolarHBondContact OG-CB 3.4Å; S150-R175 PolarHBondContact OG-O 3.24Å; Y153-R175 HydrophobicContact CD1-CB 4.41Å; Y153-R175 HydrophobicContact CD1-CG 4.4Å; Y154-R175 HydrophobicContact CE2-CB 4.29Å; Q171-R175 WeakPolarHBondContact O-CB 3.43Å; Q171-R175 WeakPolarHBondContact O-CG 3.45Å; Q171-R175 PolarHBondContact O-N 3.45Å; Q171-R175 PolarHBondContact O-NH1 3.38Å; D172-R175 PolarHBondContact O-N 3.01Å; I173-R175 VanDerWaalsContact C-N 3.27Å; I173-R175 PolarHBondContact O-N 3.02Å; R175-R177 PolarHBondContact O-N 2.88Å; R175-T326 HydrophobicContact CG-CG2 3.93Å
176	V	97.8	Very high	96.1	Very high	5 Å²	5	44 Å²	44	3%	0.03	24%	0.239	C	C	.	.			trans	-69.6	125.8	-176.7	73.2	0	0	0	0	109.7	K51 F69 L72 V73 Y154 D172 I173	K51-V176 PolarHBondContact NZ-O 3.35Å; F69-V176 HydrophobicContact CD1-CG1 3.64Å; F69-V176 HydrophobicContact CE1-CG1 3.85Å; L72-V176 HydrophobicContact CB-CG2 3.63Å; V73-V176 HydrophobicContact CG2-CB 4.4Å; V73-V176 HydrophobicContact CG2-CG2 4.23Å; Y154-V176 WeakPolarHBondContact OH-CA 3.45Å; Y154-V176 WeakPolarHBondContact OH-CB 3.24Å; Y154-V176 PolarHBondContact OH-N 2.91Å; D172-V176 PolarHBondContact O-N 3.17Å; I173-V176 WeakPolarHBondContact O-CG1 3.45Å
177	R	95.9	Very high	96	Very high	57 Å²	57	46.8 Å²	46.8	22%	0.215	26%	0.259	C	S	.	.			trans	-95.3	122.7	179.7	-179	60.6	176.3	135.5	-1.1	109.3	E43 N76 R175	E43-R177 IonicContact OE1-NE 3.27Å; N76-R177 PolarHBondContact ND2-O 3.07Å; N76-R177 WeakPolarHBondContact OD1-CB 3.41Å; N76-R177 PolarHBondContact OD1-N 3.03Å; R175-R177 PolarHBondContact O-N 2.88Å
178	V	94.8	Very high	95.7	Very high	70 Å²	70	44.2 Å²	44.2	42%	0.424	25%	0.245	S	C	.	.			trans	-125.5	125.1	162.1	-177.5	0	0	0	0	106.5	L72 T180	L72-V178 HydrophobicContact CD1-CG2 4.01Å; L72-V178 HydrophobicContact CD2-CG2 4.07Å; V178-T180 PolarHBondContact O-N 3.19Å; V178-T180 VanDerWaalsContact O-N 3.13Å
179	P	94.9	Very high	95.2	Very high	77 Å²	77	48.6 Å²	48.6	50%	0.5	27%	0.268	S	S	.	.			trans	-53	114.2	168.1	-30.1	39.2	0	0	0	110.8	T181	P179-T181 PolarHBondContact O-N 3.32Å
180	T	95	Very high	94.7	Very high	19 Å²	19	48 Å²	48	12%	0.117	26%	0.261	C	S	.	.			trans	-68.7	122.6	175.8	-45.9	0	0	0	0	108.9	S47 V178 G201	S47-T180 PolarHBondContact OG-OG1 3.09Å; V178-T180 PolarHBondContact O-N 3.19Å; V178-T180 VanDerWaalsContact O-N 3.13Å; T180-G201 VanDerWaalsContact O-CA 3.26Å; T180-G201 WeakPolarHBondContact O-CA 3.49Å
181	T	92.8	Very high	94	Very high	102 Å²	102	51 Å²	51	63%	0.626	28%	0.278	S	S	*	.			trans	-110.7	136.9	174	57.5	0	0	0	0	108.9	P179 E206	P179-T181 PolarHBondContact O-N 3.32Å; T181-E206 WeakPolarHBondContact CA-OE2 3.47Å
182	G	90.6	Very high	93.3	Very high	21 Å²	21	52 Å²	52	22%	0.216	29%	0.292	C	S	.	.	S	Bend	trans	70.3	-146	-178.4	0	0	0	0	0	114.2	G201 E206	G182-G201 PolarHBondContact O-N 2.97Å; G182-E206 PolarHBondContact N-OE2 2.77Å
183	I	92.7	Very high	92.8	Very high	64 Å²	64	52.7 Å²	52.7	33%	0.328	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.4	-172.3	-58.1	161.7	0	0	0	107.9	V198 V200 H212 S213	I183-V198 HydrophobicContact CG2-CG1 3.53Å; I183-V200 HydrophobicContact CB-CG1 4.42Å; I183-V200 HydrophobicContact CG1-CG1 3.98Å; I183-V200 HydrophobicContact CG2-CG1 4.22Å; I183-H212 HydrophobicContact CD1-CB 3.77Å; I183-S213 WeakPolarHBondContact CD1-OG 3.28Å; I183-S213 WeakPolarHBondContact CG2-OG 3.28Å
184	V	93.2	Very high	92.4	Very high	76 Å²	76	53.9 Å²	53.9	46%	0.461	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.9	178.2	-179.8	0	0	0	0	108.6	D199	V184-D199 PolarHBondContact N-O 3.42Å; V184-D199 PolarHBondContact O-N 3.34Å
185	E	94.9	Very high	92.2	Very high	88 Å²	88	53.9 Å²	53.9	41%	0.411	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.1	175.4	-58.7	-166.4	169.9	0	0	111.2	R196 I197 V198	E185-R196 HydrophobicContact CB-CG 4.49Å; E185-R196 VanDerWaalsContact OE2-CD 3.28Å; E185-R196 WeakPolarHBondContact OE2-CD 3.48Å; E185-R196 IonicContact OE2-CZ 2.8Å; E185-R196 IonicContact OE2-NE 3.88Å; E185-R196 IonicContact OE2-NH1 3.32Å; E185-R196 PolarHBondContact OE2-NH1 3.07Å; E185-I197 CarbonylContact C-O 3.58Å; E185-I197 WeakPolarHBondContact CA-O 3.4Å; E185-V198 HydrophobicContact CG-CG1 4.4Å; E185-V198 HydrophobicContact CG-CG2 4.14Å
186	Y	94.4	Very high	92	Very high	46 Å²	46	54.5 Å²	54.5	18%	0.18	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	105.4	176.3	-174.7	-103.2	0	0	0	110.7	V50 M53 R54 F188 I197	V50-Y186 HydrophobicContact CG1-CD1 4.28Å; V50-Y186 HydrophobicContact CG1-CG 3.89Å; M53-Y186 HydrophobicContact CB-CD1 4.37Å; M53-Y186 HydrophobicContact CB-CE1 4.31Å; R54-Y186 VanDerWaalsContact CA-OH 3.29Å; R54-Y186 WeakPolarHBondContact CA-OH 3.49Å; R54-Y186 HydrophobicContact CB-CE1 3.96Å; R54-Y186 HydrophobicContact CB-CE2 4.01Å; R54-Y186 WeakPolarHBondContact CB-OH 3.34Å; R54-Y186 HydrophobicContact CG-CE2 4.13Å; Y186-F188 AromaticContact CD1-CD1 3.94Å; Y186-F188 HydrophobicContact CD1-CD1 3.94Å; Y186-F188 HydrophobicContact CE1-CB 4.07Å; Y186-F188 AromaticContact CE1-CD1 3.88Å; Y186-F188 HydrophobicContact CE1-CD1 3.88Å; Y186-F188 HydrophobicContact CE1-CG 4.36Å; Y186-I197 PolarHBondContact N-O 2.85Å; Y186-I197 PolarHBondContact O-N 3Å
187	P	93.9	Very high	91.9	Very high	67 Å²	67	54.2 Å²	54.2	44%	0.435	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.9	173.9	33.6	-32.5	0	0	0	111.5	F195	P187-F195 CarbonylContact C-O 3.57Å; P187-F195 VanDerWaalsContact CA-O 3.3Å; P187-F195 WeakPolarHBondContact CA-O 3.37Å
188	F	91.4	Very high	92	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.039	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	154	165.3	63.4	-83.2	0	0	0	110.6	M53 H57 Y186 L190 F195 I197 F335	M53-F188 HydrophobicContact CB-CD1 4.4Å; M53-F188 HydrophobicContact CB-CE1 4.06Å; M53-F188 HydrophobicContact CG-CE1 4.38Å; M53-F188 HydrophobicContact SD-CE1 4.32Å; M53-F188 HydrophobicContact SD-CZ 3.95Å; H57-F188 HydrophobicContact CB-CB 4.41Å; H57-F188 HydrophobicContact CB-CD2 3.43Å; H57-F188 VanDerWaalsContact CB-CD2 3.43Å; H57-F188 HydrophobicContact CB-CE2 3.87Å; H57-F188 HydrophobicContact CB-CG 4.07Å; H57-F188 AromaticContact CD2-CE2 3.73Å; H57-F188 AromaticContact CG-CD2 3.96Å; H57-F188 AromaticContact CG-CE2 3.88Å; Y186-F188 AromaticContact CD1-CD1 3.94Å; Y186-F188 HydrophobicContact CD1-CD1 3.94Å; Y186-F188 HydrophobicContact CE1-CB 4.07Å; Y186-F188 AromaticContact CE1-CD1 3.88Å; Y186-F188 HydrophobicContact CE1-CD1 3.88Å; Y186-F188 HydrophobicContact CE1-CG 4.36Å; F188-L190 HydrophobicContact CE2-CB 4.4Å; F188-F195 HydrophobicContact CD1-CB 4.09Å; F188-F195 HydrophobicContact CD2-CB 4.16Å; F188-F195 HydrophobicContact CE1-CB 3.57Å; F188-F195 HydrophobicContact CE2-CB 3.68Å; F188-F195 HydrophobicContact CE2-CD2 4.16Å; F188-F195 HydrophobicContact CE2-CG 4.03Å; F188-F195 HydrophobicContact CG-CB 4.37Å; F188-F195 HydrophobicContact CZ-CB 3.37Å; F188-F195 HydrophobicContact CZ-CD1 4.47Å; F188-F195 HydrophobicContact CZ-CD2 4.47Å; F188-F195 AromaticContact CZ-CG 3.89Å; F188-F195 HydrophobicContact CZ-CG 3.89Å; F188-F195 PolarHBondContact N-O 3.4Å; F188-F195 PolarHBondContact O-N 3.28Å; F188-I197 HydrophobicContact CE1-CD1 3.54Å; F188-I197 HydrophobicContact CE1-CG1 3.9Å; F188-I197 HydrophobicContact CZ-CD1 4.22Å; F188-F335 HydrophobicContact CE2-CE1 4.05Å; F188-F335 HydrophobicContact CE2-CZ 4.18Å; F188-F335 AromaticContact CZ-CE1 3.93Å; F188-F335 HydrophobicContact CZ-CE1 3.93Å; F188-F335 AromaticContact CZ-CZ 3.64Å; F188-F335 HydrophobicContact CZ-CZ 3.64Å
189	N	89.3	Confident	92.1	Very high	94 Å²	94	48.5 Å²	48.5	50%	0.503	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.4	177.6	-61.7	-53.5	0	0	0	109
190	L	87	Confident	92.2	Very high	28 Å²	28	44.9 Å²	44.9	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	113.1	168.3	-169.9	66.8	0	0	0	108.2	F188 S192 T193 F195 F335 K339	F188-L190 HydrophobicContact CE2-CB 4.4Å; L190-S192 PolarHBondContact O-N 2.84Å; L190-T193 PolarHBondContact N-O 3.34Å; L190-T193 PolarHBondContact O-N 3.22Å; L190-T193 VanDerWaalsContact O-O 3.07Å; L190-F195 HydrophobicContact CB-CD2 3.86Å; L190-F195 HydrophobicContact CB-CE2 3.93Å; L190-F195 HydrophobicContact CD2-CE2 4.05Å; L190-F335 HydrophobicContact CD2-CE1 4.24Å; L190-K339 HydrophobicContact CD2-CD 3.51Å; L190-K339 HydrophobicContact CD2-CG 4.18Å
191	D	84	Confident	92.3	Very high	134 Å²	134	44 Å²	44	72%	0.717	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	-119.8	-173.3	-51.4	-42.7	0	0	0	111.6
192	S	83.4	Confident	92.3	Very high	83 Å²	83	39.3 Å²	39.3	58%	0.58	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	3.6	176.5	61.5	0	0	0	0	114.2	L190	L190-S192 PolarHBondContact O-N 2.84Å
193	T	87.4	Confident	92.5	Very high	13 Å²	13	40 Å²	40	8%	0.08	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.1	-174.7	-54.7	0	0	0	0	110.7	K32 V34 L190 F195	K32-T193 HydrophobicContact CB-CG2 4.49Å; K32-T193 WeakPolarHBondContact O-CA 3.07Å; K32-T193 WeakPolarHBondContact O-CG2 3.39Å; V34-T193 HydrophobicContact CB-CG2 4.26Å; V34-T193 HydrophobicContact CG2-CG2 3.63Å; L190-T193 PolarHBondContact N-O 3.34Å; L190-T193 PolarHBondContact O-N 3.22Å; L190-T193 VanDerWaalsContact O-O 3.07Å; T193-F195 HydrophobicContact CG2-CD2 3.92Å; T193-F195 HydrophobicContact CG2-CE2 3.54Å; T193-F195 HydrophobicContact CG2-CZ 4.05Å
194	V	90.7	Very high	92.6	Very high	25 Å²	25	41 Å²	41	15%	0.152	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.8	172.3	-176	0	0	0	0	108	R31 K32 E33 V34	R31-V194 HydrophobicContact CB-CG2 4.34Å; K32-V194 PolarHBondContact O-N 2.87Å; E33-V194 CarbonylContact C-O 3.58Å; E33-V194 WeakPolarHBondContact CA-O 3.27Å; V34-V194 PolarHBondContact N-O 3.48Å
195	F	93.3	Very high	92.6	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.2	173.5	-77.4	-95	0	0	0	109.5	V34 L36 P187 F188 L190 T193 F335 K339	V34-F195 HydrophobicContact CB-CD1 3.93Å; V34-F195 HydrophobicContact CB-CE1 3.95Å; V34-F195 HydrophobicContact CB-CG 4.48Å; V34-F195 HydrophobicContact CB-CZ 4.49Å; V34-F195 HydrophobicContact CG1-CD1 3.78Å; V34-F195 HydrophobicContact CG1-CE1 3.64Å; V34-F195 HydrophobicContact CG2-CE1 4.42Å; V34-F195 WeakPolarHBondContact O-CA 3.37Å; L36-F195 HydrophobicContact CD1-CD1 3.85Å; L36-F195 HydrophobicContact CD1-CE1 4.35Å; L36-F195 HydrophobicContact CG-CD1 4.35Å; P187-F195 CarbonylContact C-O 3.57Å; P187-F195 VanDerWaalsContact CA-O 3.3Å; P187-F195 WeakPolarHBondContact CA-O 3.37Å; F188-F195 HydrophobicContact CD1-CB 4.09Å; F188-F195 HydrophobicContact CD2-CB 4.16Å; F188-F195 HydrophobicContact CE1-CB 3.57Å; F188-F195 HydrophobicContact CE2-CB 3.68Å; F188-F195 HydrophobicContact CE2-CD2 4.16Å; F188-F195 HydrophobicContact CE2-CG 4.03Å; F188-F195 HydrophobicContact CG-CB 4.37Å; F188-F195 HydrophobicContact CZ-CB 3.37Å; F188-F195 HydrophobicContact CZ-CD1 4.47Å; F188-F195 HydrophobicContact CZ-CD2 4.47Å; F188-F195 AromaticContact CZ-CG 3.89Å; F188-F195 HydrophobicContact CZ-CG 3.89Å; F188-F195 PolarHBondContact N-O 3.4Å; F188-F195 PolarHBondContact O-N 3.28Å; L190-F195 HydrophobicContact CB-CD2 3.86Å; L190-F195 HydrophobicContact CB-CE2 3.93Å; L190-F195 HydrophobicContact CD2-CE2 4.05Å; T193-F195 HydrophobicContact CG2-CD2 3.92Å; T193-F195 HydrophobicContact CG2-CE2 3.54Å; T193-F195 HydrophobicContact CG2-CZ 4.05Å; F195-F335 HydrophobicContact CD1-CZ 4.22Å; F195-F335 HydrophobicContact CE1-CZ 4.34Å; F195-K339 HydrophobicContact CZ-CG 3.89Å
196	R	95.1	Very high	92.6	Very high	65 Å²	65	38.4 Å²	38.4	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	109.1	174.7	179.3	-178.4	-61.5	-75.6	-9.6	109.1	E33 V34 K35 L36 E185 V198	E33-R196 IonicContact OE1-CZ 3.51Å; E33-R196 VanDerWaalsContact OE1-CZ 3.31Å; E33-R196 IonicContact OE1-NE 3.57Å; E33-R196 PolarHBondContact OE1-NE 3.46Å; E33-R196 IonicContact OE1-NH2 2.89Å; E33-R196 PolarHBondContact OE1-NH2 3.3Å; V34-R196 PolarHBondContact O-N 2.94Å; K35-R196 CarbonylContact C-O 3.56Å; K35-R196 WeakPolarHBondContact CA-O 3.47Å; L36-R196 PolarHBondContact N-O 2.98Å; E185-R196 HydrophobicContact CB-CG 4.49Å; E185-R196 VanDerWaalsContact OE2-CD 3.28Å; E185-R196 WeakPolarHBondContact OE2-CD 3.48Å; E185-R196 IonicContact OE2-CZ 2.8Å; E185-R196 IonicContact OE2-NE 3.88Å; E185-R196 IonicContact OE2-NH1 3.32Å; E185-R196 PolarHBondContact OE2-NH1 3.07Å; R196-V198 HydrophobicContact CG-CG2 4.45Å
197	I	96.2	Very high	92.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.3	176	-62.7	177.8	0	0	0	109.1	L36 L38 F49 V50 M53 E185 Y186 F188	L36-I197 HydrophobicContact CB-CG1 4.23Å; L36-I197 HydrophobicContact CD1-CG1 4.23Å; L36-I197 CarbonylContact O-C 3.22Å; L36-I197 WeakPolarHBondContact O-CA 3.22Å; L38-I197 HydrophobicContact CD1-CG2 3.54Å; L38-I197 HydrophobicContact CD2-CG2 3.91Å; L38-I197 HydrophobicContact CG-CG2 3.54Å; F49-I197 HydrophobicContact CE1-CD1 3.96Å; V50-I197 HydrophobicContact CG2-CG2 3.85Å; M53-I197 HydrophobicContact CB-CD1 3.9Å; M53-I197 HydrophobicContact CG-CD1 3.38Å; M53-I197 HydrophobicContact SD-CD1 4.1Å; E185-I197 CarbonylContact C-O 3.58Å; E185-I197 WeakPolarHBondContact CA-O 3.4Å; Y186-I197 PolarHBondContact N-O 2.85Å; Y186-I197 PolarHBondContact O-N 3Å; F188-I197 HydrophobicContact CE1-CD1 3.54Å; F188-I197 HydrophobicContact CE1-CG1 3.9Å; F188-I197 HydrophobicContact CZ-CD1 4.22Å
198	V	97.3	Very high	92.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.7	177.2	-172.1	0	0	0	0	108.7	K35 L36 L37 L38 I183 E185 R196 V200	K35-V198 HydrophobicContact CD-CG2 4.42Å; K35-V198 HydrophobicContact CG-CG2 4.04Å; L36-V198 PolarHBondContact O-N 2.75Å; L37-V198 HydrophobicContact CD1-CB 3.89Å; L37-V198 HydrophobicContact CD1-CG1 3.91Å; L38-V198 WeakPolarHBondContact CB-O 3.43Å; L38-V198 PolarHBondContact N-O 3.29Å; I183-V198 HydrophobicContact CG2-CG1 3.53Å; E185-V198 HydrophobicContact CG-CG1 4.4Å; E185-V198 HydrophobicContact CG-CG2 4.14Å; R196-V198 HydrophobicContact CG-CG2 4.45Å; V198-V200 HydrophobicContact CG1-CG1 4.25Å
199	D	97.5	Very high	92.7	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.9	174.4	-174.9	32.3	0	0	0	110.5	L38 K46 S47 V50 V184	L38-D199 HydrophobicContact CD1-CB 4.35Å; K46-D199 WeakPolarHBondContact CB-OD1 3.24Å; S47-D199 VanDerWaalsContact CA-OD2 3.31Å; S47-D199 WeakPolarHBondContact CA-OD2 3.42Å; S47-D199 VanDerWaalsContact CB-OD2 3.28Å; S47-D199 WeakPolarHBondContact CB-OD2 3.34Å; S47-D199 PolarHBondContact OG-OD2 3.24Å; V50-D199 HydrophobicContact CG2-CB 3.73Å; V184-D199 PolarHBondContact N-O 3.42Å; V184-D199 PolarHBondContact O-N 3.34Å
200	V	97.2	Very high	93	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.6	-175.2	-61.8	0	0	0	0	110.6	L37 L38 L39 K46 I183 V198 G202 W210	L37-V200 HydrophobicContact CD1-CG1 4.46Å; L38-V200 WeakPolarHBondContact O-CG2 3.39Å; L39-V200 HydrophobicContact CD2-CG2 3.94Å; K46-V200 WeakPolarHBondContact CE-O 3.49Å; I183-V200 HydrophobicContact CB-CG1 4.42Å; I183-V200 HydrophobicContact CG1-CG1 3.98Å; I183-V200 HydrophobicContact CG2-CG1 4.22Å; V198-V200 HydrophobicContact CG1-CG1 4.25Å; V200-G202 PolarHBondContact O-N 3.07Å; V200-W210 HydrophobicContact CG2-CD2 4.29Å; V200-W210 HydrophobicContact CG2-CG 4.13Å; V200-W210 HydrophobicContact CG2-CZ2 4.38Å; V200-W210 VanDerWaalsContact CG2-NE1 3.27Å
201	G	95.8	Very high	93.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	24%	0.242	C	C	.	.			trans	-57.1	128.5	174.1	0	0	0	0	0	112.2	T180 G182 W210	T180-G201 VanDerWaalsContact O-CA 3.26Å; T180-G201 WeakPolarHBondContact O-CA 3.49Å; G182-G201 PolarHBondContact O-N 2.97Å; G201-W210 PolarHBondContact O-NE1 2.98Å
202	G	94	Very high	93.5	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.021	24%	0.239	C	C	.	.			trans	-88.9	-18.2	-176.8	0	0	0	0	0	115.1	G40 G42 V200 R207	G40-G202 WeakPolarHBondContact O-CA 3.35Å; G42-G202 VanDerWaalsContact N-C 3.31Å; G42-G202 PolarHBondContact N-O 3.17Å; V200-G202 PolarHBondContact O-N 3.07Å; G202-R207 PolarHBondContact O-NE 2.73Å; G202-R207 VanDerWaalsContact O-NE 3.14Å
203	Q	94.3	Very high	94	Very high	35 Å²	35	46.3 Å²	46.3	16%	0.164	21%	0.212	C	C	.	.	S	Bend	trans	-64.5	150.3	-179	-59	90.6	-37.1	0	0	110.3	S205 E206 R207	Q203-S205 PolarHBondContact O-N 3.37Å; Q203-S205 VanDerWaalsContact O-N 3.15Å; Q203-E206 PolarHBondContact O-N 3.36Å; Q203-R207 WeakPolarHBondContact O-CG 2.92Å; Q203-R207 PolarHBondContact O-N 3.32Å
204	R	94.4	Very high	94.2	Very high	86 Å²	86	47.5 Å²	47.5	33%	0.325	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.9	-176.4	-76.2	-178.3	164.1	-179.2	-6.7	113.1	E206 R207 E235 E239 E244	R204-E206 VanDerWaalsContact C-N 3.27Å; R204-E206 PolarHBondContact O-N 3.46Å; R204-R207 PolarHBondContact O-N 2.92Å; R204-E235 PolarHBondContact N-OE1 3.07Å; R204-E239 IonicContact CZ-OE2 2.75Å; R204-E239 IonicContact NH1-OE1 2.69Å; R204-E239 IonicContact NH1-OE2 2.77Å; R204-E239 PolarHBondContact NH1-OE2 2.9Å; R204-E239 IonicContact NH2-OE1 2.85Å; R204-E239 IonicContact NH2-OE2 2.75Å; R204-E239 PolarHBondContact NH2-OE2 2.82Å; R204-E244 IonicContact CZ-OE1 2.84Å; R204-E244 IonicContact CZ-OE2 3.74Å; R204-E244 IonicContact NE-OE1 3.88Å; R204-E244 PolarHBondContact NE-OE1 2.77Å; R204-E244 IonicContact NE-OE2 3.56Å; R204-E244 IonicContact NH2-OE1 2.8Å; R204-E244 PolarHBondContact NH2-OE1 3.16Å; R204-E244 IonicContact NH2-OE2 3.17Å; R204-E244 PolarHBondContact NH2-OE2 3.29Å
205	S	93.4	Very high	94.2	Very high	88 Å²	88	53.7 Å²	53.7	62%	0.615	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-28.7	177.1	53	0	0	0	0	114.1	Q203	Q203-S205 PolarHBondContact O-N 3.37Å; Q203-S205 VanDerWaalsContact O-N 3.15Å
206	E	95	Very high	93.9	Very high	22 Å²	22	58.9 Å²	58.9	10%	0.103	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-20.8	-175.3	-64.4	-60.7	107.6	0	0	113	T181 G182 Q203 R204 R208 K209	T181-E206 WeakPolarHBondContact CA-OE2 3.47Å; G182-E206 PolarHBondContact N-OE2 2.77Å; Q203-E206 PolarHBondContact O-N 3.36Å; R204-E206 VanDerWaalsContact C-N 3.27Å; R204-E206 PolarHBondContact O-N 3.46Å; E206-R208 PolarHBondContact O-N 2.9Å; E206-R208 VanDerWaalsContact O-N 3.13Å; E206-K209 WeakPolarHBondContact O-CB 3.4Å; E206-K209 PolarHBondContact O-N 3.46Å; E206-K209 IonicContact OE1-NZ 2.95Å; E206-K209 PolarHBondContact OE1-NZ 2.77Å; E206-K209 IonicContact OE2-NZ 3.4Å; E206-K209 PolarHBondContact OE2-NZ 2.69Å
207	R	94.7	Very high	93.8	Very high	49 Å²	49	56.4 Å²	56.4	19%	0.185	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.6	-27.2	-172.5	-55.8	-165.8	-169.2	153.8	6	114.5	G202 Q203 R204 K209 W210 E244	G202-R207 PolarHBondContact O-NE 2.73Å; G202-R207 VanDerWaalsContact O-NE 3.14Å; Q203-R207 WeakPolarHBondContact O-CG 2.92Å; Q203-R207 PolarHBondContact O-N 3.32Å; R204-R207 PolarHBondContact O-N 2.92Å; R207-K209 PolarHBondContact O-N 3.04Å; R207-W210 HydrophobicContact CB-CD2 4.14Å; R207-W210 HydrophobicContact CB-CE3 4.42Å; R207-W210 HydrophobicContact CB-CZ2 4.27Å; R207-W210 HydrophobicContact CG-CD2 4.43Å; R207-W210 HydrophobicContact CG-CH2 3.95Å; R207-W210 HydrophobicContact CG-CZ2 3.65Å; R207-W210 HydrophobicContact CG-CZ3 4.45Å; R207-W210 VanDerWaalsContact O-CB 3.29Å; R207-W210 WeakPolarHBondContact O-CB 3.42Å; R207-W210 VanDerWaalsContact O-CG 3.24Å; R207-W210 PolarHBondContact O-N 2.96Å; R207-W210 VanDerWaalsContact O-N 3.13Å; R207-E244 IonicContact CZ-OE1 3.31Å; R207-E244 IonicContact NH1-OE1 3.6Å; R207-E244 PolarHBondContact NH1-OE1 2.89Å; R207-E244 IonicContact NH2-OE1 2.74Å; R207-E244 PolarHBondContact NH2-OE1 3.34Å
208	R	92.9	Very high	93.6	Very high	225 Å²	225	57.7 Å²	57.7	85%	0.849	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-60.4	-27.8	175.2	-67.5	-177.2	179.4	178.8	0.3	112.3	E206 W210	E206-R208 PolarHBondContact O-N 2.9Å; E206-R208 VanDerWaalsContact O-N 3.13Å; R208-W210 VanDerWaalsContact C-N 3.3Å; R208-W210 PolarHBondContact O-N 3.22Å
209	K	94.4	Very high	93.4	Very high	80 Å²	80	57.7 Å²	57.7	35%	0.348	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-77.5	-15	-179.2	-57	173.4	-173.4	167	0	112.6	E206 R207 I211 H212	E206-K209 WeakPolarHBondContact O-CB 3.4Å; E206-K209 PolarHBondContact O-N 3.46Å; E206-K209 IonicContact OE1-NZ 2.95Å; E206-K209 PolarHBondContact OE1-NZ 2.77Å; E206-K209 IonicContact OE2-NZ 3.4Å; E206-K209 PolarHBondContact OE2-NZ 2.69Å; R207-K209 PolarHBondContact O-N 3.04Å; K209-I211 PolarHBondContact O-N 2.87Å; K209-H212 WeakPolarHBondContact O-CB 3.25Å; K209-H212 PolarHBondContact O-CD2 3.14Å; K209-H212 VanDerWaalsContact O-CD2 3.27Å; K209-H212 PolarHBondContact O-N 3.44Å
210	W	95	Very high	93.4	Very high	9 Å²	9	57.3 Å²	57.3	3%	0.034	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-60.6	-32.9	-174.7	-67.8	1.7	0	0	0	113.5	L39 V200 G201 R207 R208 H212 S213 F214 L248 I252	L39-W210 HydrophobicContact CD2-CD2 3.83Å; L39-W210 HydrophobicContact CD2-CE3 3.7Å; L39-W210 HydrophobicContact CD2-CG 4.33Å; L39-W210 HydrophobicContact CD2-CH2 4.41Å; L39-W210 HydrophobicContact CD2-CZ3 4.01Å; V200-W210 HydrophobicContact CG2-CD2 4.29Å; V200-W210 HydrophobicContact CG2-CG 4.13Å; V200-W210 HydrophobicContact CG2-CZ2 4.38Å; V200-W210 VanDerWaalsContact CG2-NE1 3.27Å; G201-W210 PolarHBondContact O-NE1 2.98Å; R207-W210 HydrophobicContact CB-CD2 4.14Å; R207-W210 HydrophobicContact CB-CE3 4.42Å; R207-W210 HydrophobicContact CB-CZ2 4.27Å; R207-W210 HydrophobicContact CG-CD2 4.43Å; R207-W210 HydrophobicContact CG-CH2 3.95Å; R207-W210 HydrophobicContact CG-CZ2 3.65Å; R207-W210 HydrophobicContact CG-CZ3 4.45Å; R207-W210 VanDerWaalsContact O-CB 3.29Å; R207-W210 WeakPolarHBondContact O-CB 3.42Å; R207-W210 VanDerWaalsContact O-CG 3.24Å; R207-W210 PolarHBondContact O-N 2.96Å; R207-W210 VanDerWaalsContact O-N 3.13Å; R208-W210 VanDerWaalsContact C-N 3.3Å; R208-W210 PolarHBondContact O-N 3.22Å; W210-H212 PolarHBondContact O-N 3.09Å; W210-H212 VanDerWaalsContact O-N 3.1Å; W210-S213 WeakPolarHBondContact O-CB 3.27Å; W210-S213 PolarHBondContact O-N 3.25Å; W210-F214 HydrophobicContact CB-CE1 3.8Å; W210-F214 HydrophobicContact CB-CZ 4.11Å; W210-F214 WeakPolarHBondContact O-CD1 3.32Å; W210-F214 VanDerWaalsContact O-CE1 3.23Å; W210-F214 WeakPolarHBondContact O-CE1 3.2Å; W210-L248 HydrophobicContact CH2-CD1 3.96Å; W210-L248 HydrophobicContact CH2-CD2 3.86Å; W210-L248 HydrophobicContact CH2-CG 4.36Å; W210-L248 HydrophobicContact CZ3-CD1 3.76Å; W210-L248 HydrophobicContact CZ3-CD2 4.44Å; W210-L248 HydrophobicContact CZ3-CG 4.46Å; W210-I252 HydrophobicContact CE3-CD1 4.17Å; W210-I252 HydrophobicContact CZ3-CD1 3.93Å; W210-I252 HydrophobicContact CZ3-CG1 4.41Å
211	I	91.3	Very high	93.4	Very high	117 Å²	117	57.3 Å²	57.3	60%	0.6	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-56.6	-30.1	-179.6	-167.6	147.1	0	0	0	112.7	K209 S213 F214	K209-I211 PolarHBondContact O-N 2.87Å; I211-S213 PolarHBondContact O-N 2.87Å; I211-S213 VanDerWaalsContact O-N 3.15Å; I211-F214 PolarHBondContact O-N 3.17Å
212	H	91.3	Very high	93.5	Very high	144 Å²	144	57.2 Å²	57.2	67%	0.667	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-70.3	-6.9	176.9	-55.6	-60.5	0	0	0	113.8	I183 K209 W210	I183-H212 HydrophobicContact CD1-CB 3.77Å; K209-H212 WeakPolarHBondContact O-CB 3.25Å; K209-H212 PolarHBondContact O-CD2 3.14Å; K209-H212 VanDerWaalsContact O-CD2 3.27Å; K209-H212 PolarHBondContact O-N 3.44Å; W210-H212 PolarHBondContact O-N 3.09Å; W210-H212 VanDerWaalsContact O-N 3.1Å
213	S	93	Very high	93.7	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.014	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-106.6	-4.7	178.3	-59.3	0	0	0	0	113.8	K35 I183 W210 I211 E215 V217	K35-S213 PolarHBondContact NZ-O 2.95Å; K35-S213 VanDerWaalsContact NZ-O 3.16Å; I183-S213 WeakPolarHBondContact CD1-OG 3.28Å; I183-S213 WeakPolarHBondContact CG2-OG 3.28Å; W210-S213 WeakPolarHBondContact O-CB 3.27Å; W210-S213 PolarHBondContact O-N 3.25Å; I211-S213 PolarHBondContact O-N 2.87Å; I211-S213 VanDerWaalsContact O-N 3.15Å; S213-E215 PolarHBondContact O-N 3.4Å; S213-V217 VanDerWaalsContact O-CG2 3.25Å; S213-V217 WeakPolarHBondContact O-CG2 3.33Å
214	F	92.4	Very high	93.9	Very high	38 Å²	38	55.6 Å²	55.6	17%	0.167	27%	0.269	C	S	.	.			trans	-79	-16.5	-168.1	-73.5	10	0	0	0	114.1	L37 W210 I211 V217 Y255 F258	L37-F214 HydrophobicContact CD2-CD1 3.6Å; L37-F214 HydrophobicContact CD2-CE1 3.76Å; W210-F214 HydrophobicContact CB-CE1 3.8Å; W210-F214 HydrophobicContact CB-CZ 4.11Å; W210-F214 WeakPolarHBondContact O-CD1 3.32Å; W210-F214 VanDerWaalsContact O-CE1 3.23Å; W210-F214 WeakPolarHBondContact O-CE1 3.2Å; I211-F214 PolarHBondContact O-N 3.17Å; F214-V217 WeakPolarHBondContact O-CG2 3.32Å; F214-Y255 HydrophobicContact CE2-CD2 4.02Å; F214-Y255 HydrophobicContact CE2-CE2 4.08Å; F214-Y255 HydrophobicContact CZ-CD2 4.37Å; F214-Y255 HydrophobicContact CZ-CE2 4.22Å; F214-F258 HydrophobicContact CB-CE1 4.14Å; F214-F258 HydrophobicContact CB-CZ 4.41Å; F214-F258 HydrophobicContact CD1-CE1 4.07Å; F214-F258 AromaticContact CD1-CZ 3.52Å; F214-F258 HydrophobicContact CD1-CZ 3.52Å; F214-F258 AromaticContact CD2-CE1 3.9Å; F214-F258 HydrophobicContact CD2-CE1 3.9Å; F214-F258 HydrophobicContact CD2-CE2 4.34Å; F214-F258 AromaticContact CD2-CZ 3.57Å; F214-F258 HydrophobicContact CD2-CZ 3.57Å; F214-F258 HydrophobicContact CE1-CE1 4.44Å; F214-F258 HydrophobicContact CE1-CE2 4.17Å; F214-F258 AromaticContact CE1-CZ 3.47Å; F214-F258 HydrophobicContact CE1-CZ 3.47Å; F214-F258 VanDerWaalsContact CE1-CZ 3.47Å; F214-F258 HydrophobicContact CE2-CE1 4.28Å; F214-F258 AromaticContact CE2-CE2 3.88Å; F214-F258 HydrophobicContact CE2-CE2 3.88Å; F214-F258 AromaticContact CE2-CZ 3.51Å; F214-F258 HydrophobicContact CE2-CZ 3.51Å; F214-F258 AromaticContact CG-CE1 3.78Å; F214-F258 HydrophobicContact CG-CE1 3.78Å; F214-F258 AromaticContact CG-CZ 3.57Å; F214-F258 HydrophobicContact CG-CZ 3.57Å; F214-F258 AromaticContact CZ-CE2 3.79Å; F214-F258 HydrophobicContact CZ-CE2 3.79Å; F214-F258 AromaticContact CZ-CZ 3.46Å; F214-F258 HydrophobicContact CZ-CZ 3.46Å; F214-F258 VanDerWaalsContact CZ-CZ 3.46Å
215	E	89	Confident	94.1	Very high	156 Å²	156	51.5 Å²	51.5	73%	0.729	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	140.7	176.9	-66.9	-176.3	-179.8	0	0	112.1	K35 S213 V217	K35-E215 PolarHBondContact NZ-O 2.74Å; S213-E215 PolarHBondContact O-N 3.4Å; E215-V217 PolarHBondContact O-N 2.75Å; E215-V217 VanDerWaalsContact O-N 3.08Å
216	S	88.4	Confident	94.4	Very high	109 Å²	109	47.3 Å²	47.3	76%	0.762	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	29.6	172.4	-52.1	0	0	0	0	114.5	K35	K35-S216 WeakPolarHBondContact CB-O 3.47Å; K35-S216 WeakPolarHBondContact CD-O 3.4Å
217	V	92.8	Very high	94.5	Very high	13 Å²	13	46.2 Å²	46.2	8%	0.079	22%	0.219	C	C	.	.			trans	-75.4	132.4	174.8	178.3	0	0	0	0	108.9	K35 L37 S213 F214 E215 S219 I220 L261	K35-V217 HydrophobicContact CD-CG2 4.2Å; L37-V217 HydrophobicContact CB-CG1 3.72Å; L37-V217 HydrophobicContact CB-CG2 4.02Å; L37-V217 HydrophobicContact CD2-CG2 4.07Å; S213-V217 VanDerWaalsContact O-CG2 3.25Å; S213-V217 WeakPolarHBondContact O-CG2 3.33Å; F214-V217 WeakPolarHBondContact O-CG2 3.32Å; E215-V217 PolarHBondContact O-N 2.75Å; E215-V217 VanDerWaalsContact O-N 3.08Å; V217-S219 WeakPolarHBondContact CG1-O 3.48Å; V217-I220 HydrophobicContact CG1-CG1 4.33Å; V217-L261 HydrophobicContact CB-CD1 3.99Å; V217-L261 HydrophobicContact CG1-CD1 3.85Å; V217-L261 WeakPolarHBondContact O-CD2 3.45Å
218	T	91.7	Very high	94.7	Very high	27 Å²	27	44 Å²	44	17%	0.166	21%	0.211	C	C	.	.			trans	-88.7	-40.9	176.6	-50.1	0	0	0	0	111.4	V34 K35 I342 N346	V34-T218 HydrophobicContact CG1-CG2 4.07Å; K35-T218 PolarHBondContact N-OG1 3.47Å; K35-T218 WeakPolarHBondContact O-CB 3.38Å; K35-T218 PolarHBondContact O-N 3.47Å; T218-I342 HydrophobicContact CG2-CG2 4.13Å; T218-N346 WeakPolarHBondContact CG2-ND2 2.99Å; T218-N346 VanDerWaalsContact CG2-OD1 3.3Å; T218-N346 WeakPolarHBondContact CG2-OD1 3.45Å
219	S	93.9	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	151.7	-179.9	-58.6	0	0	0	0	111.1	K35 L36 L37 V217 S262	K35-S219 PolarHBondContact O-N 3.37Å; L36-S219 WeakPolarHBondContact CA-O 2.99Å; L37-S219 PolarHBondContact N-O 3.44Å; V217-S219 WeakPolarHBondContact CG1-O 3.48Å; S219-S262 WeakPolarHBondContact CA-O 3.49Å
220	I	95.8	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.1	175.6	-65.1	166.3	0	0	0	108.2	L39 V217 I252 F258 L261 S262 I263 I264	L39-I220 HydrophobicContact CD1-CG2 3.97Å; L39-I220 HydrophobicContact CG-CG2 4.35Å; V217-I220 HydrophobicContact CG1-CG1 4.33Å; I220-I252 HydrophobicContact CD1-CG2 4.3Å; I220-I252 HydrophobicContact CG2-CG2 4.42Å; I220-F258 HydrophobicContact CD1-CB 3.87Å; I220-F258 HydrophobicContact CD1-CD1 3.74Å; I220-F258 HydrophobicContact CD1-CD2 3.28Å; I220-F258 HydrophobicContact CD1-CE1 3.96Å; I220-F258 HydrophobicContact CD1-CE2 3.54Å; I220-F258 HydrophobicContact CD1-CG 3.37Å; I220-F258 HydrophobicContact CD1-CZ 3.84Å; I220-L261 HydrophobicContact CD1-CD1 4.04Å; I220-L261 HydrophobicContact CG1-CD1 4.17Å; I220-S262 PolarHBondContact N-O 2.99Å; I220-I263 HydrophobicContact CB-CD1 3.77Å; I220-I263 HydrophobicContact CD1-CD1 3.72Å; I220-I263 HydrophobicContact CG1-CD1 4.23Å; I220-I263 HydrophobicContact CG2-CD1 4.32Å; I220-I264 PolarHBondContact O-N 2.88Å
221	I	97.6	Very high	95.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.3	165	-56.1	175.3	0	0	0	106.8	L36 L37 L38 L39 F49 L223 I264 F266 V338	L36-I221 HydrophobicContact CB-CD1 4.44Å; L36-I221 HydrophobicContact CD1-CD1 4.1Å; L37-I221 PolarHBondContact O-N 3.14Å; L38-I221 WeakPolarHBondContact CA-O 3.15Å; L38-I221 HydrophobicContact CD2-CB 3.76Å; L38-I221 HydrophobicContact CD2-CD1 4.04Å; L38-I221 HydrophobicContact CD2-CG1 4.33Å; L38-I221 HydrophobicContact CD2-CG2 4.28Å; L39-I221 PolarHBondContact N-O 3.28Å; F49-I221 HydrophobicContact CE1-CD1 4.02Å; F49-I221 HydrophobicContact CZ-CD1 4.31Å; I221-L223 HydrophobicContact CB-CD1 4.45Å; I221-L223 HydrophobicContact CG2-CD1 3.75Å; I221-L223 HydrophobicContact CG2-CG 4.4Å; I221-I264 CarbonylContact C-O 3.5Å; I221-I264 WeakPolarHBondContact CA-O 3.47Å; I221-I264 HydrophobicContact CG1-CB 4.17Å; I221-I264 HydrophobicContact CG1-CD1 3.99Å; I221-I264 HydrophobicContact CG1-CG2 4.41Å; I221-I264 HydrophobicContact CG2-CG2 4.3Å; I221-F266 HydrophobicContact CG2-CD1 4.28Å; I221-F266 HydrophobicContact CG2-CD2 3.68Å; I221-F266 HydrophobicContact CG2-CE1 4.37Å; I221-F266 HydrophobicContact CG2-CE2 3.77Å; I221-F266 HydrophobicContact CG2-CG 3.95Å; I221-F266 HydrophobicContact CG2-CZ 4.13Å; I221-V338 HydrophobicContact CD1-CG1 4.38Å
222	F	98.4	Very high	95.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.7	173.4	-167.2	-86.3	0	0	0	109.6	L39 L248 F249 I252 I264 L265 F266 Y307	L39-F222 HydrophobicContact CB-CD2 3.94Å; L39-F222 HydrophobicContact CB-CE2 4.45Å; L39-F222 CarbonylContact O-C 3.55Å; L39-F222 WeakPolarHBondContact O-CA 3.3Å; F222-L248 HydrophobicContact CE2-CD2 4.14Å; F222-L248 HydrophobicContact CE2-CG 4Å; F222-L248 HydrophobicContact CZ-CB 4.37Å; F222-L248 HydrophobicContact CZ-CD2 4.04Å; F222-L248 HydrophobicContact CZ-CG 4.08Å; F222-F249 HydrophobicContact CB-CD2 3.89Å; F222-F249 HydrophobicContact CB-CE2 3.94Å; F222-F249 HydrophobicContact CD1-CB 4.28Å; F222-F249 AromaticContact CD1-CD2 3.54Å; F222-F249 HydrophobicContact CD1-CD2 3.54Å; F222-F249 HydrophobicContact CD1-CE2 4.28Å; F222-F249 HydrophobicContact CD1-CG 4.28Å; F222-F249 AromaticContact CD2-CD2 3.78Å; F222-F249 HydrophobicContact CD2-CD2 3.78Å; F222-F249 HydrophobicContact CE1-CB 3.78Å; F222-F249 AromaticContact CE1-CD2 3.94Å; F222-F249 HydrophobicContact CE1-CD2 3.94Å; F222-F249 HydrophobicContact CE1-CG 4.26Å; F222-F249 HydrophobicContact CE2-CB 4.1Å; F222-F249 HydrophobicContact CE2-CD2 4.15Å; F222-F249 AromaticContact CG-CD2 3.45Å; F222-F249 HydrophobicContact CG-CD2 3.45Å; F222-F249 VanDerWaalsContact CG-CD2 3.45Å; F222-F249 HydrophobicContact CG-CE2 4.04Å; F222-F249 HydrophobicContact CG-CG 4.49Å; F222-F249 HydrophobicContact CZ-CB 3.67Å; F222-F249 HydrophobicContact CZ-CD2 4.22Å; F222-F249 HydrophobicContact CZ-CG 4.45Å; F222-I252 HydrophobicContact CD2-CG1 4.48Å; F222-I252 HydrophobicContact CE2-CG1 4.22Å; F222-I264 PolarHBondContact N-O 3.29Å; F222-L265 HydrophobicContact CB-CD1 4.46Å; F222-L265 HydrophobicContact CD1-CD1 3.92Å; F222-F266 PolarHBondContact O-N 2.65Å; F222-Y307 HydrophobicContact CE1-CE1 4.07Å
223	L	98.7	Very high	95.6	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.5	176.8	-70.5	94.4	0	0	0	110.1	L38 L39 S44 K46 F49 I221 F266	L38-L223 HydrophobicContact CB-CD1 4.26Å; L38-L223 HydrophobicContact CD2-CD1 4.13Å; L39-L223 PolarHBondContact O-N 3.4Å; S44-L223 WeakPolarHBondContact CB-O 3.45Å; S44-L223 PolarHBondContact OG-O 2.99Å; K46-L223 HydrophobicContact CB-CD1 4.47Å; K46-L223 HydrophobicContact CG-CB 4.13Å; K46-L223 HydrophobicContact CG-CD1 3.88Å; K46-L223 HydrophobicContact CG-CG 4.4Å; F49-L223 HydrophobicContact CB-CD2 4.2Å; I221-L223 HydrophobicContact CB-CD1 4.45Å; I221-L223 HydrophobicContact CG2-CD1 3.75Å; I221-L223 HydrophobicContact CG2-CG 4.4Å; L223-F266 HydrophobicContact CD2-CB 4.44Å; L223-F266 HydrophobicContact CD2-CD2 4.08Å; L223-F266 HydrophobicContact CG-CB 4.01Å; L223-F266 HydrophobicContact CG-CD2 4.09Å
224	S	98.6	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.6	173.9	172.7	0	0	0	0	110.2	S245 F266 N268 Y307	S224-S245 PolarHBondContact OG-OG 2.89Å; S224-F266 PolarHBondContact N-O 3.36Å; S224-N268 PolarHBondContact O-N 3.37Å; S224-Y307 WeakPolarHBondContact CB-OH 3.44Å; S224-Y307 VanDerWaalsContact OG-CZ 3.26Å; S224-Y307 PolarHBondContact OG-OH 3.02Å
225	A	98.5	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.8	177.9	0	0	0	0	0	110.8	N227 E228 K269	A225-N227 VanDerWaalsContact C-N 3.29Å; A225-N227 PolarHBondContact O-N 3.46Å; A225-E228 HydrophobicContact CB-CB 4.43Å; A225-E228 HydrophobicContact CB-CG 3.67Å; A225-E228 PolarHBondContact O-N 3.46Å; A225-K269 HydrophobicContact CB-CD 3.87Å
226	L	98.8	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-66.5	-29.9	-179.3	-76.1	170.5	0	0	0	113.6	E228 Y229 M242 L267 N268 K270 L273 R300 I303 F322	L226-E228 VanDerWaalsContact C-N 3.26Å; L226-E228 PolarHBondContact O-N 3.18Å; L226-Y229 WeakPolarHBondContact O-CD1 3.28Å; L226-M242 WeakPolarHBondContact O-CE 3.34Å; L226-L267 HydrophobicContact CD1-CB 3.96Å; L226-L267 WeakPolarHBondContact CD1-O 3.17Å; L226-L267 HydrophobicContact CD2-CB 3.94Å; L226-L267 HydrophobicContact CD2-CD2 4.11Å; L226-L267 HydrophobicContact CD2-CG 4.41Å; L226-L267 HydrophobicContact CG-CB 3.92Å; L226-N268 VanDerWaalsContact CB-O 3.27Å; L226-N268 WeakPolarHBondContact CB-O 3.29Å; L226-N268 WeakPolarHBondContact CG-O 3.15Å; L226-N268 PolarHBondContact N-O 3.5Å; L226-K270 HydrophobicContact CD1-CB 3.96Å; L226-L273 HydrophobicContact CB-CB 3.94Å; L226-L273 HydrophobicContact CB-CD2 3.86Å; L226-L273 HydrophobicContact CB-CG 4.42Å; L226-L273 HydrophobicContact CD1-CD2 4.11Å; L226-L273 HydrophobicContact CD2-CD2 4.23Å; L226-L273 HydrophobicContact CG-CD2 4.31Å; L226-R300 HydrophobicContact CD1-CG 3.97Å; L226-I303 HydrophobicContact CD2-CB 4.09Å; L226-I303 HydrophobicContact CD2-CD1 3.85Å; L226-I303 HydrophobicContact CD2-CG2 3.75Å; L226-F322 HydrophobicContact CD1-CD1 3.98Å; L226-F322 HydrophobicContact CD1-CE1 4.41Å
227	N	97.9	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-78.2	-5.5	-176.7	67.5	-52.7	0	0	0	114	D149 A225 Y229 K269 I272 K276	D149-N227 VanDerWaalsContact CG-ND2 3.27Å; D149-N227 PolarHBondContact OD1-ND2 3.45Å; D149-N227 PolarHBondContact OD2-ND2 3.03Å; A225-N227 VanDerWaalsContact C-N 3.29Å; A225-N227 PolarHBondContact O-N 3.46Å; N227-Y229 VanDerWaalsContact C-N 3.29Å; N227-Y229 PolarHBondContact O-N 2.96Å; N227-K269 HydrophobicContact CB-CB 4.5Å; N227-K269 WeakPolarHBondContact OD1-CB 3Å; N227-K269 WeakPolarHBondContact OD1-CD 3.12Å; N227-I272 HydrophobicContact CB-CB 3.71Å; N227-I272 HydrophobicContact CB-CG2 3.54Å; N227-K276 HydrophobicContact CB-CD 4.13Å; N227-K276 PolarHBondContact O-NZ 3.39Å
228	E	97.7	Very high	95.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-85.6	2.4	-176.2	-69.7	-171.7	151.2	0	0	113.7	A225 L226 D230 Q231 R241	A225-E228 HydrophobicContact CB-CB 4.43Å; A225-E228 HydrophobicContact CB-CG 3.67Å; A225-E228 PolarHBondContact O-N 3.46Å; L226-E228 VanDerWaalsContact C-N 3.26Å; L226-E228 PolarHBondContact O-N 3.18Å; E228-D230 PolarHBondContact O-N 2.97Å; E228-D230 VanDerWaalsContact O-N 3.14Å; E228-Q231 PolarHBondContact O-N 2.82Å; E228-R241 HydrophobicContact CB-CB 3.74Å; E228-R241 HydrophobicContact CG-CB 4.38Å; E228-R241 IonicContact OE1-CZ 2.97Å; E228-R241 IonicContact OE1-NH1 3.33Å; E228-R241 PolarHBondContact OE1-NH1 3.25Å
229	Y	98.1	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-58.9	-25.7	-176.6	69.9	-86.2	0	0	0	114.5	L226 N227 N240 L273 K276 I277 S280 L282 Y285	L226-Y229 WeakPolarHBondContact O-CD1 3.28Å; N227-Y229 VanDerWaalsContact C-N 3.29Å; N227-Y229 PolarHBondContact O-N 2.96Å; Y229-N240 PolarHBondContact O-ND2 3.14Å; Y229-L273 HydrophobicContact CD1-CD1 3.73Å; Y229-L273 HydrophobicContact CE1-CD1 3.41Å; Y229-L273 VanDerWaalsContact CE1-CD1 3.41Å; Y229-K276 HydrophobicContact CE1-CB 4.19Å; Y229-K276 VanDerWaalsContact OH-C 3.29Å; Y229-K276 WeakPolarHBondContact OH-CB 3.4Å; Y229-K276 PolarHBondContact OH-O 2.79Å; Y229-I277 PolarHBondContact OH-N 2.82Å; Y229-S280 WeakPolarHBondContact CE2-O 3.46Å; Y229-S280 WeakPolarHBondContact OH-CB 3.45Å; Y229-S280 PolarHBondContact OH-O 3.4Å; Y229-L282 HydrophobicContact CD2-CD1 3.63Å; Y229-L282 HydrophobicContact CE2-CD1 4.39Å; Y229-L282 HydrophobicContact CG-CD1 3.74Å; Y229-Y285 AromaticContact CD2-CD2 4Å; Y229-Y285 HydrophobicContact CD2-CD2 4Å; Y229-Y285 HydrophobicContact CE2-CD2 4.21Å; Y229-Y285 HydrophobicContact CE2-CE2 4.44Å; Y229-Y285 WeakPolarHBondContact O-CB 3.32Å
230	D	97.5	Very high	96.1	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.032	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-112.2	20.2	-177.3	65.7	-8.7	0	0	0	112.8	E228 K276 S280 Y285	E228-D230 PolarHBondContact O-N 2.97Å; E228-D230 VanDerWaalsContact O-N 3.14Å; D230-K276 VanDerWaalsContact CG-CE 3.43Å; D230-K276 WeakPolarHBondContact OD1-CE 3.33Å; D230-K276 IonicContact OD1-NZ 3.93Å; D230-K276 PolarHBondContact OD1-NZ 2.92Å; D230-K276 WeakPolarHBondContact OD2-CE 3.33Å; D230-K276 IonicContact OD2-NZ 2.63Å; D230-K276 PolarHBondContact OD2-NZ 3.43Å; D230-S280 WeakPolarHBondContact CB-OG 3.46Å; D230-S280 WeakPolarHBondContact OD2-CB 3.42Å; D230-S280 PolarHBondContact OD2-OG 3.1Å; D230-Y285 HydrophobicContact CB-CD1 4.2Å; D230-Y285 HydrophobicContact CB-CD2 3.87Å; D230-Y285 HydrophobicContact CB-CE1 3.73Å; D230-Y285 HydrophobicContact CB-CE2 3.36Å; D230-Y285 HydrophobicContact CB-CG 4.26Å
231	Q	97.5	Very high	96.2	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.042	18%	0.179	C	C	.	.			trans	-123.6	152	-178.8	-72.8	179.3	-51.8	0	0	111.9	E228 R241	E228-Q231 PolarHBondContact O-N 2.82Å; Q231-R241 HydrophobicContact CB-CG 4.18Å; Q231-R241 PolarHBondContact O-N 3.1Å
232	V	96.9	Very high	96.2	Very high	54 Å²	54	34.7 Å²	34.7	33%	0.327	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-100.6	158.3	174.3	-58.8	0	0	0	0	111.3	Q146 E237 E239 R241	Q146-V232 PolarHBondContact NE2-O 3.35Å; V232-E237 WeakPolarHBondContact CG1-O 3.48Å; V232-E237 HydrophobicContact CG2-CB 4.41Å; V232-E239 CarbonylContact C-O 3.41Å; V232-E239 WeakPolarHBondContact CA-O 3.46Å; V232-E239 WeakPolarHBondContact CB-O 3.46Å; V232-R241 VanDerWaalsContact C-CG 3.47Å; V232-R241 WeakPolarHBondContact O-CG 3.18Å; V232-R241 PolarHBondContact O-NE 3.11Å
233	L	94.3	Very high	96.2	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.052	20%	0.201	C	C	.	.			trans	-64.2	148.3	177.8	-65.4	172.7	0	0	0	111.3	N236 E239 R241 E244	L233-N236 WeakPolarHBondContact CB-O 3.32Å; L233-N236 PolarHBondContact N-O 3.21Å; L233-N236 CarbonylContact O-C 3.55Å; L233-E239 HydrophobicContact CD1-CB 3.82Å; L233-E239 VanDerWaalsContact CD1-OE2 3.29Å; L233-E239 WeakPolarHBondContact CD1-OE2 3.32Å; L233-E239 HydrophobicContact CG-CB 4.32Å; L233-E239 PolarHBondContact N-O 2.9Å; L233-R241 HydrophobicContact CD2-CB 4.41Å; L233-R241 HydrophobicContact CD2-CG 3.97Å; L233-R241 HydrophobicContact CG-CG 4.46Å; L233-E244 HydrophobicContact CD1-CB 3.96Å; L233-E244 HydrophobicContact CD1-CG 3.92Å; L233-E244 HydrophobicContact CD2-CB 4Å; L233-E244 HydrophobicContact CD2-CG 3.86Å; L233-E244 HydrophobicContact CG-CB 4.33Å; L233-E244 HydrophobicContact CG-CG 4.47Å
234	V	90.8	Very high	96.1	Very high	94 Å²	94	39.9 Å²	39.9	57%	0.57	20%	0.203	S	C	*	.	S	Bend	trans	-64.9	-37.1	168.5	-177.9	0	0	0	0	109.4	Q146	Q146-V234 HydrophobicContact CB-CG2 4.39Å; Q146-V234 HydrophobicContact CG-CG2 3.91Å
235	E	89.8	Confident	96.1	Very high	96 Å²	96	39.9 Å²	39.9	45%	0.449	20%	0.203	S	C	.	.	S	Bend	trans	-79.7	-18.6	-177.4	-56.5	96.7	139.5	0	0	114	R204	R204-E235 PolarHBondContact N-OE1 3.07Å
236	N	91.6	Very high	96.1	Very high	46 Å²	46	41 Å²	41	25%	0.246	21%	0.209	C	C	.	.			trans	-156.7	109.1	177.2	-171.3	-7.3	0	0	0	111.5	L233 N238 E239	L233-N236 WeakPolarHBondContact CB-O 3.32Å; L233-N236 PolarHBondContact N-O 3.21Å; L233-N236 CarbonylContact O-C 3.55Å; N236-N238 PolarHBondContact O-N 2.97Å; N236-N238 VanDerWaalsContact O-N 3.14Å; N236-N238 PolarHBondContact OD1-N 3.3Å; N236-N238 PolarHBondContact OD1-ND2 3.38Å; N236-E239 HydrophobicContact CB-CB 4.33Å; N236-E239 HydrophobicContact CB-CG 4.31Å; N236-E239 VanDerWaalsContact ND2-CD 3.28Å; N236-E239 WeakPolarHBondContact ND2-CG 3.43Å; N236-E239 PolarHBondContact ND2-OE1 2.96Å; N236-E239 PolarHBondContact O-N 3.47Å
237	E	90.9	Very high	96	Very high	157 Å²	157	46 Å²	46	73%	0.734	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.7	-178.5	-62.6	-178.9	172.4	0	0	114.1	V232	V232-E237 WeakPolarHBondContact CG1-O 3.48Å; V232-E237 HydrophobicContact CG2-CB 4.41Å
238	N	94.3	Very high	96	Very high	153 Å²	153	46.7 Å²	46.7	82%	0.818	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.5	177.5	-59	-63.8	0	0	0	113.5	N236	N236-N238 PolarHBondContact O-N 2.97Å; N236-N238 VanDerWaalsContact O-N 3.14Å; N236-N238 PolarHBondContact OD1-N 3.3Å; N236-N238 PolarHBondContact OD1-ND2 3.38Å
239	E	96.1	Very high	96	Very high	61 Å²	61	46.6 Å²	46.6	29%	0.285	24%	0.238	S	C	.	.	S	Bend	trans	-116.5	130.5	-175.1	-73.2	176.9	-150.5	0	0	111.2	R204 V232 L233 N236	R204-E239 IonicContact CZ-OE2 2.75Å; R204-E239 IonicContact NH1-OE1 2.69Å; R204-E239 IonicContact NH1-OE2 2.77Å; R204-E239 PolarHBondContact NH1-OE2 2.9Å; R204-E239 IonicContact NH2-OE1 2.85Å; R204-E239 IonicContact NH2-OE2 2.75Å; R204-E239 PolarHBondContact NH2-OE2 2.82Å; V232-E239 CarbonylContact C-O 3.41Å; V232-E239 WeakPolarHBondContact CA-O 3.46Å; V232-E239 WeakPolarHBondContact CB-O 3.46Å; L233-E239 HydrophobicContact CD1-CB 3.82Å; L233-E239 VanDerWaalsContact CD1-OE2 3.29Å; L233-E239 WeakPolarHBondContact CD1-OE2 3.32Å; L233-E239 HydrophobicContact CG-CB 4.32Å; L233-E239 PolarHBondContact N-O 2.9Å; N236-E239 HydrophobicContact CB-CB 4.33Å; N236-E239 HydrophobicContact CB-CG 4.31Å; N236-E239 VanDerWaalsContact ND2-CD 3.28Å; N236-E239 WeakPolarHBondContact ND2-CG 3.43Å; N236-E239 PolarHBondContact ND2-OE1 2.96Å; N236-E239 PolarHBondContact O-N 3.47Å
240	N	97.8	Very high	95.9	Very high	21 Å²	21	52 Å²	52	11%	0.112	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-71.6	133.4	175.6	-177.5	-79.3	0	0	0	111.1	Y229 M242 E243 E244	Y229-N240 PolarHBondContact O-ND2 3.14Å; N240-M242 VanDerWaalsContact C-N 3.34Å; N240-M242 PolarHBondContact O-N 2.82Å; N240-M242 WeakPolarHBondContact OD1-CA 3.5Å; N240-M242 WeakPolarHBondContact OD1-CB 3.5Å; N240-M242 PolarHBondContact OD1-N 3.28Å; N240-E243 HydrophobicContact CB-CB 4.05Å; N240-E243 HydrophobicContact CB-CG 3.89Å; N240-E243 PolarHBondContact O-N 3Å; N240-E243 PolarHBondContact OD1-N 3.38Å; N240-E243 VanDerWaalsContact OD1-N 3.15Å; N240-E244 PolarHBondContact O-N 2.8Å
241	R	97.7	Very high	95.7	Very high	18 Å²	18	54.8 Å²	54.8	7%	0.068	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-39.5	-178.3	-73.7	-162.8	169.9	-159	1.2	113.1	E43 E228 Q231 V232 L233 S245	E43-R241 IonicContact OE2-CZ 2.78Å; E43-R241 IonicContact OE2-NH1 3.67Å; E43-R241 PolarHBondContact OE2-NH1 3.16Å; E43-R241 IonicContact OE2-NH2 2.77Å; E43-R241 PolarHBondContact OE2-NH2 2.73Å; E228-R241 HydrophobicContact CB-CB 3.74Å; E228-R241 HydrophobicContact CG-CB 4.38Å; E228-R241 IonicContact OE1-CZ 2.97Å; E228-R241 IonicContact OE1-NH1 3.33Å; E228-R241 PolarHBondContact OE1-NH1 3.25Å; Q231-R241 HydrophobicContact CB-CG 4.18Å; Q231-R241 PolarHBondContact O-N 3.1Å; V232-R241 VanDerWaalsContact C-CG 3.47Å; V232-R241 WeakPolarHBondContact O-CG 3.18Å; V232-R241 PolarHBondContact O-NE 3.11Å; L233-R241 HydrophobicContact CD2-CB 4.41Å; L233-R241 HydrophobicContact CD2-CG 3.97Å; L233-R241 HydrophobicContact CG-CG 4.46Å; R241-S245 PolarHBondContact O-N 3.12Å
242	M	98.2	Very high	95.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72.5	-36.4	179.4	-179.9	171.6	-70.1	0	0	112	L226 N240 S245 L246 F286 I303	L226-M242 WeakPolarHBondContact O-CE 3.34Å; N240-M242 VanDerWaalsContact C-N 3.34Å; N240-M242 PolarHBondContact O-N 2.82Å; N240-M242 WeakPolarHBondContact OD1-CA 3.5Å; N240-M242 WeakPolarHBondContact OD1-CB 3.5Å; N240-M242 PolarHBondContact OD1-N 3.28Å; M242-S245 PolarHBondContact O-N 3.4Å; M242-L246 HydrophobicContact CG-CD1 4.33Å; M242-L246 WeakPolarHBondContact O-CG 3.36Å; M242-L246 PolarHBondContact O-N 2.92Å; M242-F286 HydrophobicContact CB-CE2 4.39Å; M242-F286 HydrophobicContact CB-CZ 3.97Å; M242-F286 HydrophobicContact CG-CE2 4.46Å; M242-F286 HydrophobicContact CG-CZ 3.99Å; M242-F286 HydrophobicContact SD-CE2 4Å; M242-F286 HydrophobicContact SD-CZ 4.03Å; M242-I303 HydrophobicContact CE-CD1 3.78Å; M242-I303 HydrophobicContact CE-CG1 4.29Å; M242-I303 HydrophobicContact CE-CG2 4.11Å; M242-I303 HydrophobicContact SD-CD1 3.95Å; M242-I303 HydrophobicContact SD-CG1 3.84Å; M242-I303 HydrophobicContact SD-CG2 3.86Å
243	E	97.8	Very high	95.4	Very high	98 Å²	98	52.2 Å²	52.2	46%	0.458	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-44.2	172.1	-69	-170.3	144.3	0	0	111.7	N240 S245 L246 L247 F286	N240-E243 HydrophobicContact CB-CB 4.05Å; N240-E243 HydrophobicContact CB-CG 3.89Å; N240-E243 PolarHBondContact O-N 3Å; N240-E243 PolarHBondContact OD1-N 3.38Å; N240-E243 VanDerWaalsContact OD1-N 3.15Å; E243-S245 VanDerWaalsContact C-N 3.29Å; E243-S245 PolarHBondContact O-N 3.32Å; E243-L246 WeakPolarHBondContact O-CB 3.33Å; E243-L246 PolarHBondContact O-N 2.78Å; E243-L246 VanDerWaalsContact O-N 3.16Å; E243-L247 WeakPolarHBondContact O-CG 3.31Å; E243-L247 PolarHBondContact O-N 3.15Å; E243-F286 HydrophobicContact CG-CE1 3.78Å; E243-F286 HydrophobicContact CG-CZ 3.99Å
244	E	97.7	Very high	95.2	Very high	13 Å²	13	55.4 Å²	55.4	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-42.5	172.5	169.2	68.5	172.8	0	0	111.7	T41 R204 R207 L233 N240 L247 L248	T41-E244 HydrophobicContact CG2-CG 4.12Å; R204-E244 IonicContact CZ-OE1 2.84Å; R204-E244 IonicContact CZ-OE2 3.74Å; R204-E244 IonicContact NE-OE1 3.88Å; R204-E244 PolarHBondContact NE-OE1 2.77Å; R204-E244 IonicContact NE-OE2 3.56Å; R204-E244 IonicContact NH2-OE1 2.8Å; R204-E244 PolarHBondContact NH2-OE1 3.16Å; R204-E244 IonicContact NH2-OE2 3.17Å; R204-E244 PolarHBondContact NH2-OE2 3.29Å; R207-E244 IonicContact CZ-OE1 3.31Å; R207-E244 IonicContact NH1-OE1 3.6Å; R207-E244 PolarHBondContact NH1-OE1 2.89Å; R207-E244 IonicContact NH2-OE1 2.74Å; R207-E244 PolarHBondContact NH2-OE1 3.34Å; L233-E244 HydrophobicContact CD1-CB 3.96Å; L233-E244 HydrophobicContact CD1-CG 3.92Å; L233-E244 HydrophobicContact CD2-CB 4Å; L233-E244 HydrophobicContact CD2-CG 3.86Å; L233-E244 HydrophobicContact CG-CB 4.33Å; L233-E244 HydrophobicContact CG-CG 4.47Å; N240-E244 PolarHBondContact O-N 2.8Å; E244-L247 PolarHBondContact O-N 3.01Å; E244-L248 VanDerWaalsContact O-CB 3.23Å; E244-L248 WeakPolarHBondContact O-CB 3.46Å; E244-L248 PolarHBondContact O-N 3.21Å
245	S	98.3	Very high	95.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-38.9	176.1	-179.6	0	0	0	0	112.5	S224 R241 M242 E243 F249 Y307	S224-S245 PolarHBondContact OG-OG 2.89Å; R241-S245 PolarHBondContact O-N 3.12Å; M242-S245 PolarHBondContact O-N 3.4Å; E243-S245 VanDerWaalsContact C-N 3.29Å; E243-S245 PolarHBondContact O-N 3.32Å; S245-F249 WeakPolarHBondContact O-CB 3.47Å; S245-F249 PolarHBondContact O-N 3.28Å; S245-Y307 VanDerWaalsContact CB-OH 3.27Å; S245-Y307 WeakPolarHBondContact CB-OH 3.45Å; S245-Y307 PolarHBondContact OG-OH 3.43Å
246	L	98	Very high	95.3	Very high	23 Å²	23	58.7 Å²	58.7	12%	0.12	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-44.9	174.7	-79	160.7	0	0	0	112.2	M242 E243 L248 F249 K250 M306 Y307	M242-L246 HydrophobicContact CG-CD1 4.33Å; M242-L246 WeakPolarHBondContact O-CG 3.36Å; M242-L246 PolarHBondContact O-N 2.92Å; E243-L246 WeakPolarHBondContact O-CB 3.33Å; E243-L246 PolarHBondContact O-N 2.78Å; E243-L246 VanDerWaalsContact O-N 3.16Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 3.4Å; L246-F249 PolarHBondContact O-N 3.48Å; L246-K250 WeakPolarHBondContact O-CB 3.36Å; L246-K250 PolarHBondContact O-N 3.13Å; L246-M306 HydrophobicContact CD1-CB 4.25Å; L246-M306 HydrophobicContact CD1-CE 3.26Å; L246-M306 HydrophobicContact CD1-SD 4.25Å; L246-M306 HydrophobicContact CD2-CB 3.87Å; L246-Y307 HydrophobicContact CD2-CD1 3.96Å; L246-Y307 HydrophobicContact CD2-CD2 3.48Å; L246-Y307 VanDerWaalsContact CD2-CD2 3.48Å; L246-Y307 HydrophobicContact CD2-CE1 3.94Å; L246-Y307 HydrophobicContact CD2-CE2 3.44Å; L246-Y307 VanDerWaalsContact CD2-CE2 3.44Å; L246-Y307 HydrophobicContact CD2-CG 3.71Å; L246-Y307 HydrophobicContact CG-CD2 4.36Å; L246-Y307 HydrophobicContact CG-CE1 4.36Å; L246-Y307 HydrophobicContact CG-CE2 3.82Å
247	L	97	Very high	95.2	Very high	106 Å²	106	60.3 Å²	60.3	56%	0.555	30%	0.3	S	S	*	.	H	α-helix	trans	-61.9	-43	176.4	-71.4	174.1	0	0	0	111.5	E243 E244 K250 T251	E243-L247 WeakPolarHBondContact O-CG 3.31Å; E243-L247 PolarHBondContact O-N 3.15Å; E244-L247 PolarHBondContact O-N 3.01Å; L247-K250 PolarHBondContact O-N 2.94Å; L247-T251 PolarHBondContact O-N 3.02Å; L247-T251 PolarHBondContact O-OG1 3.08Å
248	L	97.2	Very high	95.2	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-47.4	174.9	179.1	63.6	0	0	0	111.3	T41 W210 F222 E244 L246 K250 T251 I252	T41-L248 HydrophobicContact CG2-CD2 3.9Å; W210-L248 HydrophobicContact CH2-CD1 3.96Å; W210-L248 HydrophobicContact CH2-CD2 3.86Å; W210-L248 HydrophobicContact CH2-CG 4.36Å; W210-L248 HydrophobicContact CZ3-CD1 3.76Å; W210-L248 HydrophobicContact CZ3-CD2 4.44Å; W210-L248 HydrophobicContact CZ3-CG 4.46Å; F222-L248 HydrophobicContact CE2-CD2 4.14Å; F222-L248 HydrophobicContact CE2-CG 4Å; F222-L248 HydrophobicContact CZ-CB 4.37Å; F222-L248 HydrophobicContact CZ-CD2 4.04Å; F222-L248 HydrophobicContact CZ-CG 4.08Å; E244-L248 VanDerWaalsContact O-CB 3.23Å; E244-L248 WeakPolarHBondContact O-CB 3.46Å; E244-L248 PolarHBondContact O-N 3.21Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 3.4Å; L248-K250 PolarHBondContact O-N 3.25Å; L248-T251 WeakPolarHBondContact O-CB 3.24Å; L248-T251 PolarHBondContact O-N 3.25Å; L248-T251 VanDerWaalsContact O-N 3.13Å; L248-I252 HydrophobicContact CD1-CG1 4.44Å; L248-I252 WeakPolarHBondContact O-CG1 3.34Å; L248-I252 PolarHBondContact O-N 3.45Å
249	F	97.6	Very high	94.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-48.8	177.5	-179	-110.4	0	0	0	111.6	F222 S245 L246 T251 I252 I253 I263 L265 Y307 S310 I318	F222-F249 HydrophobicContact CB-CD2 3.89Å; F222-F249 HydrophobicContact CB-CE2 3.94Å; F222-F249 HydrophobicContact CD1-CB 4.28Å; F222-F249 AromaticContact CD1-CD2 3.54Å; F222-F249 HydrophobicContact CD1-CD2 3.54Å; F222-F249 HydrophobicContact CD1-CE2 4.28Å; F222-F249 HydrophobicContact CD1-CG 4.28Å; F222-F249 AromaticContact CD2-CD2 3.78Å; F222-F249 HydrophobicContact CD2-CD2 3.78Å; F222-F249 HydrophobicContact CE1-CB 3.78Å; F222-F249 AromaticContact CE1-CD2 3.94Å; F222-F249 HydrophobicContact CE1-CD2 3.94Å; F222-F249 HydrophobicContact CE1-CG 4.26Å; F222-F249 HydrophobicContact CE2-CB 4.1Å; F222-F249 HydrophobicContact CE2-CD2 4.15Å; F222-F249 AromaticContact CG-CD2 3.45Å; F222-F249 HydrophobicContact CG-CD2 3.45Å; F222-F249 VanDerWaalsContact CG-CD2 3.45Å; F222-F249 HydrophobicContact CG-CE2 4.04Å; F222-F249 HydrophobicContact CG-CG 4.49Å; F222-F249 HydrophobicContact CZ-CB 3.67Å; F222-F249 HydrophobicContact CZ-CD2 4.22Å; F222-F249 HydrophobicContact CZ-CG 4.45Å; S245-F249 WeakPolarHBondContact O-CB 3.47Å; S245-F249 PolarHBondContact O-N 3.28Å; L246-F249 PolarHBondContact O-N 3.48Å; F249-T251 PolarHBondContact O-N 2.92Å; F249-I252 PolarHBondContact O-N 3.2Å; F249-I252 VanDerWaalsContact O-N 3.1Å; F249-I253 HydrophobicContact CD1-CD1 4.21Å; F249-I253 HydrophobicContact CD1-CG2 4.34Å; F249-I253 HydrophobicContact CD2-CG2 4.04Å; F249-I253 HydrophobicContact CE1-CD1 3.93Å; F249-I253 HydrophobicContact CE1-CG2 3.92Å; F249-I253 HydrophobicContact CE2-CG2 3.6Å; F249-I253 HydrophobicContact CG-CG2 4.42Å; F249-I253 HydrophobicContact CZ-CG2 3.54Å; F249-I253 WeakPolarHBondContact O-CG1 3.37Å; F249-I253 PolarHBondContact O-N 3.34Å; F249-I263 HydrophobicContact CE2-CG2 4Å; F249-I263 HydrophobicContact CZ-CG2 4.19Å; F249-L265 HydrophobicContact CD2-CD1 4.48Å; F249-L265 HydrophobicContact CE2-CD1 4.21Å; F249-Y307 HydrophobicContact CB-CD1 3.91Å; F249-Y307 HydrophobicContact CB-CE1 3.76Å; F249-Y307 AromaticContact CD1-CD1 3.49Å; F249-Y307 HydrophobicContact CD1-CD1 3.49Å; F249-Y307 VanDerWaalsContact CD1-CD1 3.49Å; F249-Y307 HydrophobicContact CD1-CE1 4.25Å; F249-Y307 HydrophobicContact CD1-CG 4.37Å; F249-Y307 HydrophobicContact CD2-CD1 4.23Å; F249-Y307 HydrophobicContact CE1-CD1 4.01Å; F249-Y307 WeakPolarHBondContact CE1-O 3.44Å; F249-Y307 AromaticContact CG-CD1 3.6Å; F249-Y307 HydrophobicContact CG-CD1 3.6Å; F249-Y307 AromaticContact CG-CE1 3.95Å; F249-Y307 HydrophobicContact CG-CE1 3.95Å; F249-S310 WeakPolarHBondContact CD1-OG 3.33Å; F249-S310 WeakPolarHBondContact CE1-OG 3.33Å; F249-I318 HydrophobicContact CE1-CD1 3.89Å; F249-I318 HydrophobicContact CZ-CD1 3.69Å; F249-I318 HydrophobicContact CZ-CG1 4.31Å; F249-I318 HydrophobicContact CZ-CG2 4.28Å
250	K	96	Very high	94.3	Very high	113 Å²	113	53.3 Å²	53.3	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-55.7	-39.2	175.3	-173.8	179.1	-179.4	178.8	0	111.7	L246 L247 L248 I253 N254	L246-K250 WeakPolarHBondContact O-CB 3.36Å; L246-K250 PolarHBondContact O-N 3.13Å; L247-K250 PolarHBondContact O-N 2.94Å; L248-K250 PolarHBondContact O-N 3.25Å; K250-I253 WeakPolarHBondContact O-CG1 3.43Å; K250-N254 WeakPolarHBondContact O-CB 3.35Å; K250-N254 PolarHBondContact O-N 3.21Å; K250-N254 PolarHBondContact O-ND2 2.99Å
251	T	94.8	Very high	94	Very high	66 Å²	66	53.3 Å²	53.3	41%	0.405	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-47.4	176.7	-58.2	0	0	0	0	111.3	L247 L248 F249 N254 Y255	L247-T251 PolarHBondContact O-N 3.02Å; L247-T251 PolarHBondContact O-OG1 3.08Å; L248-T251 WeakPolarHBondContact O-CB 3.24Å; L248-T251 PolarHBondContact O-N 3.25Å; L248-T251 VanDerWaalsContact O-N 3.13Å; F249-T251 PolarHBondContact O-N 2.92Å; T251-N254 PolarHBondContact O-N 3.42Å; T251-Y255 HydrophobicContact CG2-CE1 3.94Å; T251-Y255 HydrophobicContact CG2-CE2 4.41Å; T251-Y255 PolarHBondContact O-N 3.26Å
252	I	94.1	Very high	93.6	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-49.4	-178.7	-68.8	-48.8	0	0	0	112	L39 W210 I220 F222 L248 F249 N254 Y255 F258	L39-I252 HydrophobicContact CD1-CD1 3.88Å; L39-I252 HydrophobicContact CD1-CG1 4.04Å; L39-I252 HydrophobicContact CD1-CG2 3.67Å; W210-I252 HydrophobicContact CE3-CD1 4.17Å; W210-I252 HydrophobicContact CZ3-CD1 3.93Å; W210-I252 HydrophobicContact CZ3-CG1 4.41Å; I220-I252 HydrophobicContact CD1-CG2 4.3Å; I220-I252 HydrophobicContact CG2-CG2 4.42Å; F222-I252 HydrophobicContact CD2-CG1 4.48Å; F222-I252 HydrophobicContact CE2-CG1 4.22Å; L248-I252 HydrophobicContact CD1-CG1 4.44Å; L248-I252 WeakPolarHBondContact O-CG1 3.34Å; L248-I252 PolarHBondContact O-N 3.45Å; F249-I252 PolarHBondContact O-N 3.2Å; F249-I252 VanDerWaalsContact O-N 3.1Å; I252-N254 PolarHBondContact O-N 3.1Å; I252-Y255 HydrophobicContact CD1-CD2 3.85Å; I252-Y255 HydrophobicContact CD1-CE2 3.49Å; I252-Y255 VanDerWaalsContact CD1-CE2 3.49Å; I252-Y255 PolarHBondContact O-N 3.3Å; I252-Y255 VanDerWaalsContact O-N 3.15Å; I252-F258 HydrophobicContact CG2-CD2 4.08Å; I252-F258 HydrophobicContact CG2-CE2 4.07Å; I252-F258 WeakPolarHBondContact O-CD2 3.27Å
253	I	93	Very high	93.4	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-21.8	-176	65.4	-177.9	0	0	0	113.1	F249 K250 I263 S310 N311 R316	F249-I253 HydrophobicContact CD1-CD1 4.21Å; F249-I253 HydrophobicContact CD1-CG2 4.34Å; F249-I253 HydrophobicContact CD2-CG2 4.04Å; F249-I253 HydrophobicContact CE1-CD1 3.93Å; F249-I253 HydrophobicContact CE1-CG2 3.92Å; F249-I253 HydrophobicContact CE2-CG2 3.6Å; F249-I253 HydrophobicContact CG-CG2 4.42Å; F249-I253 HydrophobicContact CZ-CG2 3.54Å; F249-I253 WeakPolarHBondContact O-CG1 3.37Å; F249-I253 PolarHBondContact O-N 3.34Å; K250-I253 WeakPolarHBondContact O-CG1 3.43Å; I253-I263 HydrophobicContact CG2-CG1 4.43Å; I253-I263 HydrophobicContact CG2-CG2 4.29Å; I253-S310 WeakPolarHBondContact CD1-O 3.27Å; I253-S310 WeakPolarHBondContact CD1-OG 3.32Å; I253-N311 HydrophobicContact CD1-CB 4.43Å; I253-R316 PolarHBondContact O-NH1 3.47Å
254	N	91.4	Very high	93.3	Very high	76 Å²	76	48.7 Å²	48.7	41%	0.406	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-3.4	179.1	-75	-50.4	0	0	0	113.9	K250 T251 I252 E256 P312	K250-N254 WeakPolarHBondContact O-CB 3.35Å; K250-N254 PolarHBondContact O-N 3.21Å; K250-N254 PolarHBondContact O-ND2 2.99Å; T251-N254 PolarHBondContact O-N 3.42Å; I252-N254 PolarHBondContact O-N 3.1Å; N254-E256 PolarHBondContact O-N 3.34Å; N254-P312 VanDerWaalsContact OD1-CG 3.31Å; N254-P312 WeakPolarHBondContact OD1-CG 3.42Å
255	Y	91.9	Very high	93.3	Very high	97 Å²	97	48.1 Å²	48.1	38%	0.38	25%	0.252	S	S	.	.			trans	-65.9	128.7	173.4	-76.1	-33.8	0	0	0	111.4	F214 T251 I252 C257 F258	F214-Y255 HydrophobicContact CE2-CD2 4.02Å; F214-Y255 HydrophobicContact CE2-CE2 4.08Å; F214-Y255 HydrophobicContact CZ-CD2 4.37Å; F214-Y255 HydrophobicContact CZ-CE2 4.22Å; T251-Y255 HydrophobicContact CG2-CE1 3.94Å; T251-Y255 HydrophobicContact CG2-CE2 4.41Å; T251-Y255 PolarHBondContact O-N 3.26Å; I252-Y255 HydrophobicContact CD1-CD2 3.85Å; I252-Y255 HydrophobicContact CD1-CE2 3.49Å; I252-Y255 VanDerWaalsContact CD1-CE2 3.49Å; I252-Y255 PolarHBondContact O-N 3.3Å; I252-Y255 VanDerWaalsContact O-N 3.15Å; Y255-C257 VanDerWaalsContact C-N 3.3Å; Y255-C257 PolarHBondContact O-N 2.91Å; Y255-F258 AromaticContact CD2-CD2 3.99Å; Y255-F258 HydrophobicContact CD2-CD2 3.99Å; Y255-F258 AromaticContact CD2-CE2 3.82Å; Y255-F258 HydrophobicContact CD2-CE2 3.82Å; Y255-F258 HydrophobicContact CG-CD2 4.43Å; Y255-F258 PolarHBondContact O-N 2.82Å
256	E	89.7	Confident	93.3	Very high	163 Å²	163	48.1 Å²	48.1	76%	0.762	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-57	-42.4	-178.5	-66.9	-178.9	176.5	0	0	112.3	N254 F258 Q259	N254-E256 PolarHBondContact O-N 3.34Å; E256-F258 PolarHBondContact O-N 3.2Å; E256-Q259 WeakPolarHBondContact O-CG 3.39Å; E256-Q259 PolarHBondContact O-N 2.99Å; E256-Q259 VanDerWaalsContact O-N 3.09Å
257	C	89.9	Confident	93.4	Very high	79 Å²	79	47 Å²	47	53%	0.534	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-62.6	-12.5	178.3	62.2	0	0	0	0	113.8	Y255	Y255-C257 VanDerWaalsContact C-N 3.3Å; Y255-C257 PolarHBondContact O-N 2.91Å
258	F	91	Very high	93.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-104.6	-5.8	179.3	-63.3	-23.7	0	0	0	113.5	L37 L39 F214 I220 I252 Y255 E256 S260 L261 R316	L37-F258 HydrophobicContact CD2-CZ 4.04Å; L39-F258 HydrophobicContact CD1-CE2 4.11Å; L39-F258 HydrophobicContact CD1-CZ 4.44Å; F214-F258 HydrophobicContact CB-CE1 4.14Å; F214-F258 HydrophobicContact CB-CZ 4.41Å; F214-F258 HydrophobicContact CD1-CE1 4.07Å; F214-F258 AromaticContact CD1-CZ 3.52Å; F214-F258 HydrophobicContact CD1-CZ 3.52Å; F214-F258 AromaticContact CD2-CE1 3.9Å; F214-F258 HydrophobicContact CD2-CE1 3.9Å; F214-F258 HydrophobicContact CD2-CE2 4.34Å; F214-F258 AromaticContact CD2-CZ 3.57Å; F214-F258 HydrophobicContact CD2-CZ 3.57Å; F214-F258 HydrophobicContact CE1-CE1 4.44Å; F214-F258 HydrophobicContact CE1-CE2 4.17Å; F214-F258 AromaticContact CE1-CZ 3.47Å; F214-F258 HydrophobicContact CE1-CZ 3.47Å; F214-F258 VanDerWaalsContact CE1-CZ 3.47Å; F214-F258 HydrophobicContact CE2-CE1 4.28Å; F214-F258 AromaticContact CE2-CE2 3.88Å; F214-F258 HydrophobicContact CE2-CE2 3.88Å; F214-F258 AromaticContact CE2-CZ 3.51Å; F214-F258 HydrophobicContact CE2-CZ 3.51Å; F214-F258 AromaticContact CG-CE1 3.78Å; F214-F258 HydrophobicContact CG-CE1 3.78Å; F214-F258 AromaticContact CG-CZ 3.57Å; F214-F258 HydrophobicContact CG-CZ 3.57Å; F214-F258 AromaticContact CZ-CE2 3.79Å; F214-F258 HydrophobicContact CZ-CE2 3.79Å; F214-F258 AromaticContact CZ-CZ 3.46Å; F214-F258 HydrophobicContact CZ-CZ 3.46Å; F214-F258 VanDerWaalsContact CZ-CZ 3.46Å; I220-F258 HydrophobicContact CD1-CB 3.87Å; I220-F258 HydrophobicContact CD1-CD1 3.74Å; I220-F258 HydrophobicContact CD1-CD2 3.28Å; I220-F258 HydrophobicContact CD1-CE1 3.96Å; I220-F258 HydrophobicContact CD1-CE2 3.54Å; I220-F258 HydrophobicContact CD1-CG 3.37Å; I220-F258 HydrophobicContact CD1-CZ 3.84Å; I252-F258 HydrophobicContact CG2-CD2 4.08Å; I252-F258 HydrophobicContact CG2-CE2 4.07Å; I252-F258 WeakPolarHBondContact O-CD2 3.27Å; Y255-F258 AromaticContact CD2-CD2 3.99Å; Y255-F258 HydrophobicContact CD2-CD2 3.99Å; Y255-F258 AromaticContact CD2-CE2 3.82Å; Y255-F258 HydrophobicContact CD2-CE2 3.82Å; Y255-F258 HydrophobicContact CG-CD2 4.43Å; Y255-F258 PolarHBondContact O-N 2.82Å; E256-F258 PolarHBondContact O-N 3.2Å; F258-S260 VanDerWaalsContact C-N 3.26Å; F258-S260 PolarHBondContact O-N 3.33Å; F258-S260 VanDerWaalsContact O-N 3.1Å; F258-L261 HydrophobicContact CB-CD1 4.23Å; F258-L261 HydrophobicContact CD1-CD1 3.46Å; F258-L261 VanDerWaalsContact CD1-CD1 3.46Å; F258-L261 HydrophobicContact CD1-CG 4.49Å; F258-L261 HydrophobicContact CE1-CD1 4.09Å; F258-L261 HydrophobicContact CG-CD1 4.14Å; F258-L261 WeakPolarHBondContact O-CB 3.4Å; F258-L261 PolarHBondContact O-N 3.21Å; F258-R316 PolarHBondContact O-NH1 3.06Å; F258-R316 PolarHBondContact O-NH2 2.85Å
259	Q	87.4	Confident	93.5	Very high	126 Å²	126	42.6 Å²	42.6	59%	0.589	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.3	-169.6	-74.1	179.4	2.6	0	0	114.8	E256 R316	E256-Q259 WeakPolarHBondContact O-CG 3.39Å; E256-Q259 PolarHBondContact O-N 2.99Å; E256-Q259 VanDerWaalsContact O-N 3.09Å; Q259-R316 PolarHBondContact O-NE 3.34Å
260	S	84.9	Confident	93.5	Very high	98 Å²	98	45.2 Å²	45.2	69%	0.685	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.1	177.8	57.6	0	0	0	0	114.5	F258	F258-S260 VanDerWaalsContact C-N 3.26Å; F258-S260 PolarHBondContact O-N 3.33Å; F258-S260 VanDerWaalsContact O-N 3.1Å
261	L	89.6	Confident	93.6	Very high	22 Å²	22	42.6 Å²	42.6	12%	0.115	23%	0.225	C	C	.	.	S	Bend	trans	-78.3	147.9	-173.3	-54.6	-173.8	0	0	0	112	V217 I220 F258 R316	V217-L261 HydrophobicContact CB-CD1 3.99Å; V217-L261 HydrophobicContact CG1-CD1 3.85Å; V217-L261 WeakPolarHBondContact O-CD2 3.45Å; I220-L261 HydrophobicContact CD1-CD1 4.04Å; I220-L261 HydrophobicContact CG1-CD1 4.17Å; F258-L261 HydrophobicContact CB-CD1 4.23Å; F258-L261 HydrophobicContact CD1-CD1 3.46Å; F258-L261 VanDerWaalsContact CD1-CD1 3.46Å; F258-L261 HydrophobicContact CD1-CG 4.49Å; F258-L261 HydrophobicContact CE1-CD1 4.09Å; F258-L261 HydrophobicContact CG-CD1 4.14Å; F258-L261 WeakPolarHBondContact O-CB 3.4Å; F258-L261 PolarHBondContact O-N 3.21Å; L261-R316 VanDerWaalsContact O-CZ 3.27Å; L261-R316 PolarHBondContact O-NE 3.46Å; L261-R316 PolarHBondContact O-NH2 3.39Å
262	S	89.5	Confident	93.8	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.119	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.2	166.5	-63.2	0	0	0	0	110.4	S219 I220 S345	S219-S262 WeakPolarHBondContact CA-O 3.49Å; I220-S262 PolarHBondContact N-O 2.99Å; S262-S345 VanDerWaalsContact OG-CB 3.3Å; S262-S345 WeakPolarHBondContact OG-CB 3.33Å; S262-S345 PolarHBondContact OG-OG 3.44Å; S262-S345 VanDerWaalsContact OG-OG 3.08Å
263	I	94	Very high	94	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.6	175.1	-57.7	-58.8	0	0	0	109.6	I220 F249 I253 I318 Y319	I220-I263 HydrophobicContact CB-CD1 3.77Å; I220-I263 HydrophobicContact CD1-CD1 3.72Å; I220-I263 HydrophobicContact CG1-CD1 4.23Å; I220-I263 HydrophobicContact CG2-CD1 4.32Å; F249-I263 HydrophobicContact CE2-CG2 4Å; F249-I263 HydrophobicContact CZ-CG2 4.19Å; I253-I263 HydrophobicContact CG2-CG1 4.43Å; I253-I263 HydrophobicContact CG2-CG2 4.29Å; I263-I318 HydrophobicContact CB-CG1 4.34Å; I263-I318 HydrophobicContact CG2-CG1 4.2Å; I263-I318 HydrophobicContact CG2-CG2 4.26Å; I263-Y319 PolarHBondContact O-N 3.05Å
264	I	96.5	Very high	94.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.1	171.9	-63	144.2	0	0	0	107.9	I220 I221 F222 F266 Y319 V338 I342	I220-I264 PolarHBondContact O-N 2.88Å; I221-I264 CarbonylContact C-O 3.5Å; I221-I264 WeakPolarHBondContact CA-O 3.47Å; I221-I264 HydrophobicContact CG1-CB 4.17Å; I221-I264 HydrophobicContact CG1-CD1 3.99Å; I221-I264 HydrophobicContact CG1-CG2 4.41Å; I221-I264 HydrophobicContact CG2-CG2 4.3Å; F222-I264 PolarHBondContact N-O 3.29Å; I264-F266 HydrophobicContact CG2-CD1 3.78Å; I264-F266 HydrophobicContact CG2-CE1 3.48Å; I264-F266 VanDerWaalsContact CG2-CE1 3.48Å; I264-F266 HydrophobicContact CG2-CZ 4.31Å; I264-Y319 CarbonylContact C-O 3.5Å; I264-Y319 VanDerWaalsContact CA-O 3.28Å; I264-Y319 WeakPolarHBondContact CA-O 3.41Å; I264-V338 HydrophobicContact CD1-CG1 3.61Å; I264-V338 HydrophobicContact CD1-CG2 4.46Å; I264-V338 HydrophobicContact CG2-CG2 3.77Å; I264-I342 HydrophobicContact CD1-CD1 3.98Å; I264-I342 HydrophobicContact CD1-CG1 3.87Å
265	L	98.2	Very high	94.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.8	178	174.8	64.9	0	0	0	109.9	F222 F249 L267 L304 Y307 I318 Y319 S320 H321	F222-L265 HydrophobicContact CB-CD1 4.46Å; F222-L265 HydrophobicContact CD1-CD1 3.92Å; F249-L265 HydrophobicContact CD2-CD1 4.48Å; F249-L265 HydrophobicContact CE2-CD1 4.21Å; L265-L267 HydrophobicContact CD1-CD2 4.34Å; L265-L267 HydrophobicContact CD2-CD1 4.47Å; L265-L267 HydrophobicContact CD2-CD2 4.22Å; L265-L267 HydrophobicContact CD2-CG 4.22Å; L265-L267 HydrophobicContact CG-CD2 4.28Å; L265-L267 HydrophobicContact CG-CG 4.16Å; L265-L304 HydrophobicContact CD2-CD1 4.18Å; L265-Y307 HydrophobicContact CD1-CD1 3.79Å; L265-Y307 HydrophobicContact CD1-CE1 4.22Å; L265-Y307 HydrophobicContact CD1-CG 4.32Å; L265-Y307 VanDerWaalsContact CD2-CB 3.43Å; L265-Y307 HydrophobicContact CD2-CD1 4.02Å; L265-Y307 HydrophobicContact CD2-CG 3.77Å; L265-I318 HydrophobicContact CB-CG2 3.62Å; L265-I318 HydrophobicContact CD2-CG2 4.35Å; L265-Y319 PolarHBondContact N-O 2.81Å; L265-S320 CarbonylContact O-C 3.56Å; L265-S320 VanDerWaalsContact O-CA 3.26Å; L265-S320 WeakPolarHBondContact O-CA 3.44Å; L265-H321 PolarHBondContact O-N 3.46Å
266	F	98.7	Very high	94.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.4	168.9	-74	-1.5	0	0	0	110.1	F49 I221 F222 L223 S224 I264 N268 H321 T323 V334 V338	F49-F266 AromaticContact CD2-CE2 3.86Å; F49-F266 HydrophobicContact CD2-CE2 3.86Å; F49-F266 HydrophobicContact CE1-CE2 4.47Å; F49-F266 AromaticContact CE2-CE2 3.56Å; F49-F266 HydrophobicContact CE2-CE2 3.56Å; F49-F266 HydrophobicContact CE2-CZ 4.21Å; F49-F266 HydrophobicContact CG-CE2 4.44Å; F49-F266 AromaticContact CZ-CE2 3.89Å; F49-F266 HydrophobicContact CZ-CE2 3.89Å; F49-F266 HydrophobicContact CZ-CZ 4.38Å; I221-F266 HydrophobicContact CG2-CD1 4.28Å; I221-F266 HydrophobicContact CG2-CD2 3.68Å; I221-F266 HydrophobicContact CG2-CE1 4.37Å; I221-F266 HydrophobicContact CG2-CE2 3.77Å; I221-F266 HydrophobicContact CG2-CG 3.95Å; I221-F266 HydrophobicContact CG2-CZ 4.13Å; F222-F266 PolarHBondContact O-N 2.65Å; L223-F266 HydrophobicContact CD2-CB 4.44Å; L223-F266 HydrophobicContact CD2-CD2 4.08Å; L223-F266 HydrophobicContact CG-CB 4.01Å; L223-F266 HydrophobicContact CG-CD2 4.09Å; S224-F266 PolarHBondContact N-O 3.36Å; I264-F266 HydrophobicContact CG2-CD1 3.78Å; I264-F266 HydrophobicContact CG2-CE1 3.48Å; I264-F266 VanDerWaalsContact CG2-CE1 3.48Å; I264-F266 HydrophobicContact CG2-CZ 4.31Å; F266-N268 PolarHBondContact O-N 2.93Å; F266-H321 WeakPolarHBondContact CA-O 3.11Å; F266-H321 HydrophobicContact CD1-CB 3.94Å; F266-H321 HydrophobicContact CE1-CB 4.06Å; F266-H321 AromaticContact CE1-CD2 3.87Å; F266-T323 HydrophobicContact CB-CG2 4.26Å; F266-T323 HydrophobicContact CD1-CG2 4.1Å; F266-T323 HydrophobicContact CD2-CG2 4.12Å; F266-T323 HydrophobicContact CE1-CG2 4.47Å; F266-T323 HydrophobicContact CG-CG2 3.91Å; F266-V334 HydrophobicContact CD1-CG1 4.3Å; F266-V334 HydrophobicContact CE1-CG1 3.44Å; F266-V334 VanDerWaalsContact CE1-CG1 3.44Å; F266-V334 HydrophobicContact CE2-CG1 4.41Å; F266-V334 HydrophobicContact CZ-CG1 3.52Å; F266-V338 HydrophobicContact CE1-CG2 3.64Å; F266-V338 HydrophobicContact CZ-CG2 3.81Å
267	L	98.8	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	89.6	168.4	-67.2	174.7	0	0	0	107.6	L226 L265 I303 L304 Y307 H321 F322 T323	L226-L267 HydrophobicContact CD1-CB 3.96Å; L226-L267 WeakPolarHBondContact CD1-O 3.17Å; L226-L267 HydrophobicContact CD2-CB 3.94Å; L226-L267 HydrophobicContact CD2-CD2 4.11Å; L226-L267 HydrophobicContact CD2-CG 4.41Å; L226-L267 HydrophobicContact CG-CB 3.92Å; L265-L267 HydrophobicContact CD1-CD2 4.34Å; L265-L267 HydrophobicContact CD2-CD1 4.47Å; L265-L267 HydrophobicContact CD2-CD2 4.22Å; L265-L267 HydrophobicContact CD2-CG 4.22Å; L265-L267 HydrophobicContact CG-CD2 4.28Å; L265-L267 HydrophobicContact CG-CG 4.16Å; L267-I303 HydrophobicContact CD2-CG2 4.31Å; L267-L304 HydrophobicContact CD1-CB 3.62Å; L267-L304 HydrophobicContact CD1-CD1 3.72Å; L267-L304 HydrophobicContact CD1-CG 4.21Å; L267-Y307 HydrophobicContact CD2-CD2 3.96Å; L267-Y307 HydrophobicContact CD2-CE2 4.06Å; L267-H321 PolarHBondContact N-O 3.07Å; L267-F322 HydrophobicContact CB-CD1 3.65Å; L267-F322 HydrophobicContact CB-CE1 3.89Å; L267-F322 HydrophobicContact CD1-CD1 4.02Å; L267-F322 HydrophobicContact CD1-CE1 3.4Å; L267-F322 VanDerWaalsContact CD1-CE1 3.4Å; L267-F322 HydrophobicContact CD1-CZ 4.02Å; L267-F322 HydrophobicContact CG-CD1 4.49Å; L267-F322 HydrophobicContact CG-CE1 4.3Å; L267-F322 WeakPolarHBondContact O-CA 3.48Å; L267-T323 PolarHBondContact O-N 3.45Å
268	N	98.7	Very high	95.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	168.2	-169	-170.5	31.4	0	0	0	112.8	S44 S224 L226 F266 K270 T323 A325	S44-N268 PolarHBondContact O-ND2 3.35Å; S224-N268 PolarHBondContact O-N 3.37Å; L226-N268 VanDerWaalsContact CB-O 3.27Å; L226-N268 WeakPolarHBondContact CB-O 3.29Å; L226-N268 WeakPolarHBondContact CG-O 3.15Å; L226-N268 PolarHBondContact N-O 3.5Å; F266-N268 PolarHBondContact O-N 2.93Å; N268-K270 VanDerWaalsContact C-N 3.29Å; N268-K270 PolarHBondContact O-N 2.87Å; N268-T323 CarbonylContact C-O 3.58Å; N268-T323 WeakPolarHBondContact CA-O 3.26Å; N268-T323 WeakPolarHBondContact CA-OG1 3.48Å; N268-T323 VanDerWaalsContact CB-OG1 3.29Å; N268-T323 WeakPolarHBondContact CB-OG1 3.42Å; N268-T323 PolarHBondContact OD1-O 2.9Å; N268-T323 PolarHBondContact OD1-OG1 3.06Å; N268-A325 PolarHBondContact OD1-N 3.16Å
269	K	98.4	Very high	95.6	Very high	24 Å²	24	37.7 Å²	37.7	10%	0.104	19%	0.188	C	C	.	.			trans	59.9	38.2	-179.5	-55.8	173.9	180	-179.8	0	112.3	E43 D149 A225 N227 D271 I272 L273 T323	E43-K269 WeakPolarHBondContact O-CE 3.36Å; E43-K269 PolarHBondContact O-NZ 3.49Å; D149-K269 WeakPolarHBondContact OD2-CE 3.44Å; D149-K269 IonicContact OD2-NZ 2.55Å; D149-K269 PolarHBondContact OD2-NZ 3.18Å; A225-K269 HydrophobicContact CB-CD 3.87Å; N227-K269 HydrophobicContact CB-CB 4.5Å; N227-K269 WeakPolarHBondContact OD1-CB 3Å; N227-K269 WeakPolarHBondContact OD1-CD 3.12Å; K269-D271 VanDerWaalsContact C-OD1 3.3Å; K269-D271 WeakPolarHBondContact CA-OD1 3.4Å; K269-D271 PolarHBondContact O-N 2.98Å; K269-I272 HydrophobicContact CB-CB 4.41Å; K269-I272 HydrophobicContact CB-CD1 4.28Å; K269-I272 HydrophobicContact CB-CG1 4.38Å; K269-I272 HydrophobicContact CD-CD1 4.34Å; K269-I272 HydrophobicContact CG-CD1 4.42Å; K269-I272 PolarHBondContact O-N 3.09Å; K269-I272 VanDerWaalsContact O-N 3.14Å; K269-L273 PolarHBondContact O-N 2.95Å; K269-L273 VanDerWaalsContact O-N 3.09Å; K269-T323 PolarHBondContact N-O 3.25Å
270	K	98.1	Very high	96.1	Very high	54 Å²	54	31.8 Å²	31.8	24%	0.235	16%	0.161	C	C	.	.	H	α-helix	trans	-57.7	-31.8	177.6	70.8	-179.2	-175.3	178.8	0	112.6	L226 N268 E274 F322 T323 C324 N330	L226-K270 HydrophobicContact CD1-CB 3.96Å; N268-K270 VanDerWaalsContact C-N 3.29Å; N268-K270 PolarHBondContact O-N 2.87Å; K270-E274 WeakPolarHBondContact O-CB 3.45Å; K270-E274 PolarHBondContact O-N 2.55Å; K270-F322 HydrophobicContact CD-CB 4.18Å; K270-T323 WeakPolarHBondContact CG-O 3.29Å; K270-T323 PolarHBondContact N-O 3.47Å; K270-C324 HydrophobicContact CG-CB 4.37Å; K270-N330 PolarHBondContact NZ-ND2 2.76Å
271	D	97.9	Very high	96.6	Very high	59 Å²	59	29 Å²	29	32%	0.316	14%	0.137	S	C	.	.	H	α-helix	trans	-65	-43.1	176.6	55.1	-54.3	0	0	0	111.9	K269 E274 E275 C324	K269-D271 VanDerWaalsContact C-OD1 3.3Å; K269-D271 WeakPolarHBondContact CA-OD1 3.4Å; K269-D271 PolarHBondContact O-N 2.98Å; D271-E274 PolarHBondContact O-N 2.92Å; D271-E275 PolarHBondContact O-N 3.49Å; D271-E275 VanDerWaalsContact O-N 3.09Å; D271-C324 PolarHBondContact OD1-SG 3.15Å
272	I	98	Very high	97	Very high	30 Å²	30	28 Å²	28	15%	0.154	13%	0.132	C	C	.	.	H	α-helix	trans	-73.8	-36.3	178.7	-51.7	-177.8	0	0	0	110.6	D149 N227 K269 E274 E275 K276	D149-I272 HydrophobicContact CB-CD1 3.63Å; N227-I272 HydrophobicContact CB-CB 3.71Å; N227-I272 HydrophobicContact CB-CG2 3.54Å; K269-I272 HydrophobicContact CB-CB 4.41Å; K269-I272 HydrophobicContact CB-CD1 4.28Å; K269-I272 HydrophobicContact CB-CG1 4.38Å; K269-I272 HydrophobicContact CD-CD1 4.34Å; K269-I272 HydrophobicContact CG-CD1 4.42Å; K269-I272 PolarHBondContact O-N 3.09Å; K269-I272 VanDerWaalsContact O-N 3.14Å; I272-E274 VanDerWaalsContact C-N 3.31Å; I272-E274 PolarHBondContact O-N 3.3Å; I272-E275 PolarHBondContact O-N 3.31Å; I272-K276 HydrophobicContact CG2-CD 3.8Å; I272-K276 HydrophobicContact CG2-CG 4.24Å; I272-K276 WeakPolarHBondContact O-CB 3.4Å; I272-K276 VanDerWaalsContact O-CG 3.32Å; I272-K276 WeakPolarHBondContact O-CG 3.35Å; I272-K276 PolarHBondContact O-N 2.89Å
273	L	98.4	Very high	97.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-45.2	170.6	173.3	65.1	0	0	0	111	L226 Y229 K269 E275 K276 I277 A299 R300 I303	L226-L273 HydrophobicContact CB-CB 3.94Å; L226-L273 HydrophobicContact CB-CD2 3.86Å; L226-L273 HydrophobicContact CB-CG 4.42Å; L226-L273 HydrophobicContact CD1-CD2 4.11Å; L226-L273 HydrophobicContact CD2-CD2 4.23Å; L226-L273 HydrophobicContact CG-CD2 4.31Å; Y229-L273 HydrophobicContact CD1-CD1 3.73Å; Y229-L273 HydrophobicContact CE1-CD1 3.41Å; Y229-L273 VanDerWaalsContact CE1-CD1 3.41Å; K269-L273 PolarHBondContact O-N 2.95Å; K269-L273 VanDerWaalsContact O-N 3.09Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 3.21Å; L273-K276 PolarHBondContact O-N 3.46Å; L273-I277 HydrophobicContact CD1-CD1 4.42Å; L273-I277 WeakPolarHBondContact O-CB 3.35Å; L273-I277 PolarHBondContact O-N 3.41Å; L273-A299 HydrophobicContact CD2-CB 4.45Å; L273-R300 HydrophobicContact CD2-CG 3.44Å; L273-R300 VanDerWaalsContact CD2-CG 3.44Å; L273-I303 HydrophobicContact CD2-CD1 4.29Å
274	E	98	Very high	97.5	Very high	107 Å²	107	34 Å²	34	50%	0.5	16%	0.164	S	C	.	.	H	α-helix	trans	-61.1	-38.1	179.4	-177.4	166.3	-149.4	0	0	112.4	K270 D271 I272 A296	K270-E274 WeakPolarHBondContact O-CB 3.45Å; K270-E274 PolarHBondContact O-N 2.55Å; D271-E274 PolarHBondContact O-N 2.92Å; I272-E274 VanDerWaalsContact C-N 3.31Å; I272-E274 PolarHBondContact O-N 3.3Å; E274-A296 HydrophobicContact CB-CB 4.03Å; E274-A296 HydrophobicContact CG-CB 4.02Å
275	E	96.8	Very high	97.6	Very high	70 Å²	70	37.8 Å²	37.8	33%	0.327	18%	0.179	S	C	.	.	H	α-helix	trans	-64.7	-52.7	170.6	-168.3	-169	119.1	0	0	111.3	R142 K152 D271 I272 L273 I277 Q278 Y279	R142-E275 IonicContact CZ-OE1 2.71Å; R142-E275 IonicContact NH2-OE1 3.41Å; R142-E275 PolarHBondContact NH2-OE1 3.03Å; K152-E275 IonicContact NZ-OE1 3.26Å; K152-E275 PolarHBondContact NZ-OE1 2.98Å; K152-E275 IonicContact NZ-OE2 2.76Å; K152-E275 PolarHBondContact NZ-OE2 2.86Å; D271-E275 PolarHBondContact O-N 3.49Å; D271-E275 VanDerWaalsContact O-N 3.09Å; I272-E275 PolarHBondContact O-N 3.31Å; L273-E275 VanDerWaalsContact C-N 3.31Å; L273-E275 PolarHBondContact O-N 3.21Å; E275-I277 PolarHBondContact O-N 3.18Å; E275-Q278 WeakPolarHBondContact O-CB 3.4Å; E275-Q278 PolarHBondContact O-N 3.35Å; E275-Y279 HydrophobicContact CG-CE1 4.28Å; E275-Y279 WeakPolarHBondContact O-CE1 3.46Å; E275-Y279 PolarHBondContact OE1-OH 3.41Å; E275-Y279 VanDerWaalsContact OE1-OH 3.11Å
276	K	96.9	Very high	97.5	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-69.9	-34.7	-169.5	-72.2	176.6	70.5	170.6	0	114.3	N227 Y229 D230 I272 L273 Q278 Y279 S280	N227-K276 HydrophobicContact CB-CD 4.13Å; N227-K276 PolarHBondContact O-NZ 3.39Å; Y229-K276 HydrophobicContact CE1-CB 4.19Å; Y229-K276 VanDerWaalsContact OH-C 3.29Å; Y229-K276 WeakPolarHBondContact OH-CB 3.4Å; Y229-K276 PolarHBondContact OH-O 2.79Å; D230-K276 VanDerWaalsContact CG-CE 3.43Å; D230-K276 WeakPolarHBondContact OD1-CE 3.33Å; D230-K276 IonicContact OD1-NZ 3.93Å; D230-K276 PolarHBondContact OD1-NZ 2.92Å; D230-K276 WeakPolarHBondContact OD2-CE 3.33Å; D230-K276 IonicContact OD2-NZ 2.63Å; D230-K276 PolarHBondContact OD2-NZ 3.43Å; I272-K276 HydrophobicContact CG2-CD 3.8Å; I272-K276 HydrophobicContact CG2-CG 4.24Å; I272-K276 WeakPolarHBondContact O-CB 3.4Å; I272-K276 VanDerWaalsContact O-CG 3.32Å; I272-K276 WeakPolarHBondContact O-CG 3.35Å; I272-K276 PolarHBondContact O-N 2.89Å; L273-K276 PolarHBondContact O-N 3.46Å; K276-Q278 PolarHBondContact O-N 3.19Å; K276-Y279 HydrophobicContact CB-CE2 4.42Å; K276-Y279 HydrophobicContact CG-CE2 4.29Å; K276-Y279 WeakPolarHBondContact CG-OH 3.47Å; K276-Y279 PolarHBondContact O-N 2.88Å; K276-S280 WeakPolarHBondContact O-CB 3.35Å; K276-S280 PolarHBondContact O-N 2.65Å
277	I	97.3	Very high	97.5	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.5	-176.6	-154.6	66.7	0	0	0	112.6	Y229 L273 E275 Y279 L282 A296 A299	Y229-I277 PolarHBondContact OH-N 2.82Å; L273-I277 HydrophobicContact CD1-CD1 4.42Å; L273-I277 WeakPolarHBondContact O-CB 3.35Å; L273-I277 PolarHBondContact O-N 3.41Å; E275-I277 PolarHBondContact O-N 3.18Å; I277-Y279 VanDerWaalsContact C-N 3.3Å; I277-Y279 PolarHBondContact O-N 2.9Å; I277-L282 HydrophobicContact CD1-CB 3.85Å; I277-A296 HydrophobicContact CG2-CB 4.03Å; I277-A299 HydrophobicContact CD1-CB 3.9Å; I277-A299 HydrophobicContact CG1-CB 4.15Å
278	Q	96.8	Very high	97.4	Very high	91 Å²	91	51.9 Å²	51.9	43%	0.425	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.6	177.9	-59.1	-51.9	-42.3	0	0	113.6	E275 K276 N294	E275-Q278 WeakPolarHBondContact O-CB 3.4Å; E275-Q278 PolarHBondContact O-N 3.35Å; K276-Q278 PolarHBondContact O-N 3.19Å; Q278-N294 VanDerWaalsContact CA-ND2 3.35Å; Q278-N294 WeakPolarHBondContact CA-ND2 3.34Å; Q278-N294 PolarHBondContact NE2-O 3.46Å; Q278-N294 PolarHBondContact O-ND2 3.4Å; Q278-N294 PolarHBondContact OE1-ND2 3.43Å; Q278-N294 VanDerWaalsContact OE1-ND2 3.14Å
279	Y	95.3	Very high	97.4	Very high	79 Å²	79	52.3 Å²	52.3	31%	0.31	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-1.7	-174.8	51.5	-97.6	0	0	0	114.2	R142 R143 E275 K276 I277	R142-Y279 PolarHBondContact NH2-OH 2.78Å; R143-Y279 PolarHBondContact NH1-O 2.69Å; E275-Y279 HydrophobicContact CG-CE1 4.28Å; E275-Y279 WeakPolarHBondContact O-CE1 3.46Å; E275-Y279 PolarHBondContact OE1-OH 3.41Å; E275-Y279 VanDerWaalsContact OE1-OH 3.11Å; K276-Y279 HydrophobicContact CB-CE2 4.42Å; K276-Y279 HydrophobicContact CG-CE2 4.29Å; K276-Y279 WeakPolarHBondContact CG-OH 3.47Å; K276-Y279 PolarHBondContact O-N 2.88Å; I277-Y279 VanDerWaalsContact C-N 3.3Å; I277-Y279 PolarHBondContact O-N 2.9Å
280	S	96.7	Very high	97.3	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.021	29%	0.289	C	S	.	.	S	Bend	trans	-134.9	100.7	176.5	-173.3	0	0	0	0	107.6	Y229 D230 K276	Y229-S280 WeakPolarHBondContact CE2-O 3.46Å; Y229-S280 WeakPolarHBondContact OH-CB 3.45Å; Y229-S280 PolarHBondContact OH-O 3.4Å; D230-S280 WeakPolarHBondContact CB-OG 3.46Å; D230-S280 WeakPolarHBondContact OD2-CB 3.42Å; D230-S280 PolarHBondContact OD2-OG 3.1Å; K276-S280 WeakPolarHBondContact O-CB 3.35Å; K276-S280 PolarHBondContact O-N 2.65Å
281	H	96.5	Very high	97.1	Very high	39 Å²	39	56.6 Å²	56.6	18%	0.181	29%	0.291	C	S	.	.			trans	-85.7	134.6	-168.6	-53	-58.9	0	0	0	111.6	V283 D284 K293 N294	H281-V283 HydrophobicContact CB-CG1 4.24Å; H281-V283 PolarHBondContact O-N 3.18Å; H281-D284 IonicContact CD2-OD2 3.44Å; H281-D284 WeakPolarHBondContact O-CB 3.04Å; H281-D284 PolarHBondContact O-N 2.86Å; H281-D284 VanDerWaalsContact O-N 3.1Å; H281-K293 HydrophobicContact CB-CD 4.31Å; H281-K293 HydrophobicContact CB-CG 4.24Å; H281-N294 PolarHBondContact CE1-OD1 3.08Å; H281-N294 PolarHBondContact ND1-OD1 3.29Å
282	L	98.1	Very high	97.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-58.2	-35.1	-175.9	-170.8	66.4	0	0	0	113.4	Y229 I277 D284 Y285 F286 F289 A299 F302 I303	Y229-L282 HydrophobicContact CD2-CD1 3.63Å; Y229-L282 HydrophobicContact CE2-CD1 4.39Å; Y229-L282 HydrophobicContact CG-CD1 3.74Å; I277-L282 HydrophobicContact CD1-CB 3.85Å; L282-D284 PolarHBondContact O-N 3.24Å; L282-Y285 PolarHBondContact O-N 3.38Å; L282-Y285 VanDerWaalsContact O-N 3.1Å; L282-F286 HydrophobicContact CD1-CD2 3.67Å; L282-F286 HydrophobicContact CD1-CE2 4.33Å; L282-F286 HydrophobicContact CG-CB 4.46Å; L282-F286 HydrophobicContact CG-CD2 4.33Å; L282-F286 PolarHBondContact O-N 3.35Å; L282-F289 HydrophobicContact CB-CD1 3.93Å; L282-F289 HydrophobicContact CB-CE1 4.25Å; L282-F289 HydrophobicContact CB-CG 4.35Å; L282-F289 HydrophobicContact CD2-CB 4.33Å; L282-F289 HydrophobicContact CD2-CD1 4.25Å; L282-F289 HydrophobicContact CD2-CD2 3.97Å; L282-F289 HydrophobicContact CD2-CE2 4.3Å; L282-F289 HydrophobicContact CD2-CG 3.91Å; L282-F289 HydrophobicContact CG-CB 4.43Å; L282-F289 HydrophobicContact CG-CD1 4.38Å; L282-F289 HydrophobicContact CG-CG 4.3Å; L282-A299 HydrophobicContact CD2-CB 3.9Å; L282-F302 HydrophobicContact CD2-CB 4.47Å; L282-F302 HydrophobicContact CD2-CD1 3.64Å; L282-F302 HydrophobicContact CD2-CE1 4.29Å; L282-F302 HydrophobicContact CD2-CG 4.38Å; L282-I303 HydrophobicContact CD1-CD1 4.25Å; L282-I303 HydrophobicContact CD1-CG1 4.49Å; L282-I303 HydrophobicContact CD2-CD1 4.35Å; L282-I303 HydrophobicContact CD2-CG1 4.21Å
283	V	97.4	Very high	96.9	Very high	44 Å²	44	61.5 Å²	61.5	27%	0.267	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-60.2	-27	179.9	66.5	0	0	0	0	113.4	H281 Y285 F286 P287 F289	H281-V283 HydrophobicContact CB-CG1 4.24Å; H281-V283 PolarHBondContact O-N 3.18Å; V283-Y285 PolarHBondContact O-N 2.98Å; V283-F286 CarbonylContact O-C 3.54Å; V283-P287 WeakPolarHBondContact O-CA 3.42Å; V283-F289 HydrophobicContact CB-CD1 4.16Å
284	D	96.5	Very high	96.8	Very high	101 Å²	101	64.6 Å²	64.6	54%	0.54	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-72.1	-20.3	-179.1	-56.9	-28.7	0	0	0	111.7	H281 L282	H281-D284 IonicContact CD2-OD2 3.44Å; H281-D284 WeakPolarHBondContact O-CB 3.04Å; H281-D284 PolarHBondContact O-N 2.86Å; H281-D284 VanDerWaalsContact O-N 3.1Å; L282-D284 PolarHBondContact O-N 3.24Å
285	Y	97.4	Very high	96.8	Very high	79 Å²	79	62 Å²	62	31%	0.31	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-31.2	179.6	-58.7	-86.9	0	0	0	112.4	Y229 D230 L282 V283	Y229-Y285 AromaticContact CD2-CD2 4Å; Y229-Y285 HydrophobicContact CD2-CD2 4Å; Y229-Y285 HydrophobicContact CE2-CD2 4.21Å; Y229-Y285 HydrophobicContact CE2-CE2 4.44Å; Y229-Y285 WeakPolarHBondContact O-CB 3.32Å; D230-Y285 HydrophobicContact CB-CD1 4.2Å; D230-Y285 HydrophobicContact CB-CD2 3.87Å; D230-Y285 HydrophobicContact CB-CE1 3.73Å; D230-Y285 HydrophobicContact CB-CE2 3.36Å; D230-Y285 HydrophobicContact CB-CG 4.26Å; L282-Y285 PolarHBondContact O-N 3.38Å; L282-Y285 VanDerWaalsContact O-N 3.1Å; V283-Y285 PolarHBondContact O-N 2.98Å
286	F	97.8	Very high	96.8	Very high	10 Å²	10	59.1 Å²	59.1	4%	0.044	31%	0.311	C	S	.	.			trans	-126	84.5	178.3	-65.9	-83.8	0	0	0	109.8	M242 E243 L282 V283 K288 F289 F302 M306	M242-F286 HydrophobicContact CB-CE2 4.39Å; M242-F286 HydrophobicContact CB-CZ 3.97Å; M242-F286 HydrophobicContact CG-CE2 4.46Å; M242-F286 HydrophobicContact CG-CZ 3.99Å; M242-F286 HydrophobicContact SD-CE2 4Å; M242-F286 HydrophobicContact SD-CZ 4.03Å; E243-F286 HydrophobicContact CG-CE1 3.78Å; E243-F286 HydrophobicContact CG-CZ 3.99Å; L282-F286 HydrophobicContact CD1-CD2 3.67Å; L282-F286 HydrophobicContact CD1-CE2 4.33Å; L282-F286 HydrophobicContact CG-CB 4.46Å; L282-F286 HydrophobicContact CG-CD2 4.33Å; L282-F286 PolarHBondContact O-N 3.35Å; V283-F286 CarbonylContact O-C 3.54Å; F286-K288 PolarHBondContact O-N 2.76Å; F286-F289 WeakPolarHBondContact O-CB 3.5Å; F286-F289 PolarHBondContact O-N 3.05Å; F286-F302 HydrophobicContact CB-CE1 3.81Å; F286-F302 HydrophobicContact CB-CZ 4.25Å; F286-F302 HydrophobicContact CG-CE1 4.34Å; F286-M306 HydrophobicContact CD1-CE 3.35Å; F286-M306 HydrophobicContact CD1-SD 4.11Å; F286-M306 HydrophobicContact CE1-CE 3.37Å; F286-M306 HydrophobicContact CE1-SD 4.38Å; F286-M306 HydrophobicContact CG-CE 4.34Å; F286-M306 HydrophobicContact CZ-CE 4.37Å
287	P	97.3	Very high	96.9	Very high	109 Å²	109	63.6 Å²	63.6	71%	0.708	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.3	-174.1	-26.9	35.8	0	0	0	115.3	V283 F289	V283-P287 WeakPolarHBondContact O-CA 3.42Å; P287-F289 PolarHBondContact O-N 3.16Å
288	K	97.3	Very high	96.9	Very high	177 Å²	177	64.5 Å²	64.5	77%	0.77	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.3	173.4	-67.5	-176.6	179.8	179.6	0	113.2	F286 T290 F302	F286-K288 PolarHBondContact O-N 2.76Å; K288-T290 PolarHBondContact O-N 2.94Å; K288-F302 HydrophobicContact CB-CE2 4.18Å; K288-F302 HydrophobicContact CB-CZ 4Å
289	F	97.9	Very high	97	Very high	13 Å²	13	60.1 Å²	60.1	6%	0.057	32%	0.321	C	S	.	.			trans	-72.6	114.4	176.2	177.9	-114.3	0	0	0	110.5	L282 V283 F286 P287 G291 A298 F302	L282-F289 HydrophobicContact CB-CD1 3.93Å; L282-F289 HydrophobicContact CB-CE1 4.25Å; L282-F289 HydrophobicContact CB-CG 4.35Å; L282-F289 HydrophobicContact CD2-CB 4.33Å; L282-F289 HydrophobicContact CD2-CD1 4.25Å; L282-F289 HydrophobicContact CD2-CD2 3.97Å; L282-F289 HydrophobicContact CD2-CE2 4.3Å; L282-F289 HydrophobicContact CD2-CG 3.91Å; L282-F289 HydrophobicContact CG-CB 4.43Å; L282-F289 HydrophobicContact CG-CD1 4.38Å; L282-F289 HydrophobicContact CG-CG 4.3Å; V283-F289 HydrophobicContact CB-CD1 4.16Å; F286-F289 WeakPolarHBondContact O-CB 3.5Å; F286-F289 PolarHBondContact O-N 3.05Å; P287-F289 PolarHBondContact O-N 3.16Å; F289-G291 WeakPolarHBondContact CE1-O 3.39Å; F289-G291 VanDerWaalsContact CZ-CA 3.46Å; F289-A298 HydrophobicContact CE2-CB 4.14Å; F289-A298 HydrophobicContact CZ-CB 3.97Å; F289-F302 HydrophobicContact CB-CD1 4.12Å; F289-F302 HydrophobicContact CB-CD2 4.2Å; F289-F302 HydrophobicContact CB-CE1 3.95Å; F289-F302 HydrophobicContact CB-CE2 4.06Å; F289-F302 HydrophobicContact CB-CG 4.22Å; F289-F302 HydrophobicContact CB-CZ 3.92Å; F289-F302 HydrophobicContact CD2-CB 3.54Å; F289-F302 AromaticContact CD2-CD1 3.98Å; F289-F302 HydrophobicContact CD2-CD1 3.98Å; F289-F302 AromaticContact CD2-CD2 3.8Å; F289-F302 HydrophobicContact CD2-CD2 3.8Å; F289-F302 HydrophobicContact CD2-CE2 4.5Å; F289-F302 AromaticContact CD2-CG 3.49Å; F289-F302 HydrophobicContact CD2-CG 3.49Å; F289-F302 VanDerWaalsContact CD2-CG 3.49Å; F289-F302 HydrophobicContact CE2-CB 3.87Å; F289-F302 HydrophobicContact CE2-CG 4.32Å; F289-F302 HydrophobicContact CG-CD1 4.41Å; F289-F302 HydrophobicContact CG-CG 4.29Å
290	T	96.6	Very high	97.1	Very high	141 Å²	141	58.3 Å²	58.3	87%	0.865	31%	0.314	S	S	*	.			trans	-105.2	3.7	179.4	55.5	0	0	0	0	113.4	K288	K288-T290 PolarHBondContact O-N 2.94Å
291	G	95.2	Very high	97.2	Very high	27 Å²	27	62.3 Å²	62.3	28%	0.278	34%	0.335	S	S	.	.	S	Bend	trans	-73.3	168.7	178.1	0	0	0	0	0	113.1	F289	F289-G291 WeakPolarHBondContact CE1-O 3.39Å; F289-G291 VanDerWaalsContact CZ-CA 3.46Å
292	P	96	Very high	97.3	Very high	78 Å²	78	62.7 Å²	62.7	51%	0.506	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62.3	145.6	177.9	24.2	-31.2	0	0	0	111.8	D295 A298	P292-D295 HydrophobicContact CB-CB 4.34Å; P292-D295 HydrophobicContact CG-CB 3.71Å; P292-A298 HydrophobicContact CG-CB 4.32Å
293	K	95.4	Very high	97.3	Very high	113 Å²	113	62.6 Å²	62.6	49%	0.491	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	153.9	166.8	-68.4	-173.3	169.9	-163.7	0	109.6	H281 D295	H281-K293 HydrophobicContact CB-CD 4.31Å; H281-K293 HydrophobicContact CB-CG 4.24Å; K293-D295 PolarHBondContact O-N 3.11Å; K293-D295 VanDerWaalsContact O-N 3.15Å
294	N	95.5	Very high	97.4	Very high	65 Å²	65	61.7 Å²	61.7	35%	0.348	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	9.6	177.1	-59.6	63.9	0	0	0	115.5	Q278 H281	Q278-N294 VanDerWaalsContact CA-ND2 3.35Å; Q278-N294 WeakPolarHBondContact CA-ND2 3.34Å; Q278-N294 PolarHBondContact NE2-O 3.46Å; Q278-N294 PolarHBondContact O-ND2 3.4Å; Q278-N294 PolarHBondContact OE1-ND2 3.43Å; Q278-N294 VanDerWaalsContact OE1-ND2 3.14Å; H281-N294 PolarHBondContact CE1-OD1 3.08Å; H281-N294 PolarHBondContact ND1-OD1 3.29Å
295	D	97.2	Very high	97.4	Very high	54 Å²	54	57.9 Å²	57.9	29%	0.289	31%	0.314	S	S	.	.			trans	-102.8	104.9	179	-173.1	-25.3	0	0	0	111.2	P292 K293 I297 A298 A299	P292-D295 HydrophobicContact CB-CB 4.34Å; P292-D295 HydrophobicContact CG-CB 3.71Å; K293-D295 PolarHBondContact O-N 3.11Å; K293-D295 VanDerWaalsContact O-N 3.15Å; D295-I297 VanDerWaalsContact C-N 3.29Å; D295-I297 PolarHBondContact O-N 2.94Å; D295-I297 WeakPolarHBondContact OD1-CA 3.23Å; D295-I297 WeakPolarHBondContact OD1-CB 3.38Å; D295-I297 PolarHBondContact OD1-N 3.24Å; D295-A298 HydrophobicContact CB-CB 3.89Å; D295-A298 PolarHBondContact OD1-N 3.11Å; D295-A299 WeakPolarHBondContact O-CB 3.48Å; D295-A299 PolarHBondContact O-N 3.36Å
296	A	97.7	Very high	97.4	Very high	8 Å²	8	55.9 Å²	55.9	7%	0.066	31%	0.308	C	S	.	.	H	α-helix	trans	-67.8	-25.9	178.9	0	0	0	0	0	113.3	E274 I277 R300	E274-A296 HydrophobicContact CB-CB 4.03Å; E274-A296 HydrophobicContact CG-CB 4.02Å; I277-A296 HydrophobicContact CG2-CB 4.03Å; A296-R300 VanDerWaalsContact O-CB 3.28Å; A296-R300 WeakPolarHBondContact O-CB 3.41Å; A296-R300 WeakPolarHBondContact O-CG 3.23Å; A296-R300 PolarHBondContact O-N 2.99Å; A296-R300 VanDerWaalsContact O-N 3.14Å; A296-R300 PolarHBondContact O-NE 2.94Å
297	I	98.1	Very high	97.4	Very high	101 Å²	101	55.4 Å²	55.4	52%	0.518	31%	0.306	S	S	.	.	H	α-helix	trans	-75.8	-48.4	178.1	-63.5	171.5	0	0	0	109.1	D295 A299 R300 N301	D295-I297 VanDerWaalsContact C-N 3.29Å; D295-I297 PolarHBondContact O-N 2.94Å; D295-I297 WeakPolarHBondContact OD1-CA 3.23Å; D295-I297 WeakPolarHBondContact OD1-CB 3.38Å; D295-I297 PolarHBondContact OD1-N 3.24Å; I297-A299 VanDerWaalsContact C-N 3.33Å; I297-A299 PolarHBondContact O-N 3.12Å; I297-R300 PolarHBondContact O-N 3.38Å; I297-N301 WeakPolarHBondContact O-CB 3.41Å; I297-N301 PolarHBondContact O-N 3.25Å; I297-N301 PolarHBondContact O-ND2 3.35Å
298	A	98.3	Very high	97.4	Very high	21 Å²	21	53.6 Å²	53.6	17%	0.174	29%	0.29	C	S	.	.	H	α-helix	trans	-58.6	-45.4	176.2	0	0	0	0	0	111.4	F289 P292 D295 N301 F302	F289-A298 HydrophobicContact CE2-CB 4.14Å; F289-A298 HydrophobicContact CZ-CB 3.97Å; P292-A298 HydrophobicContact CG-CB 4.32Å; D295-A298 HydrophobicContact CB-CB 3.89Å; D295-A298 PolarHBondContact OD1-N 3.11Å; A298-N301 PolarHBondContact O-N 3.45Å; A298-F302 WeakPolarHBondContact O-CB 3.32Å; A298-F302 PolarHBondContact O-N 2.88Å
299	A	98.5	Very high	97.2	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-48.4	176.5	0	0	0	0	0	112.3	L273 I277 L282 D295 I297 N301 F302 I303	L273-A299 HydrophobicContact CD2-CB 4.45Å; I277-A299 HydrophobicContact CD1-CB 3.9Å; I277-A299 HydrophobicContact CG1-CB 4.15Å; L282-A299 HydrophobicContact CD2-CB 3.9Å; D295-A299 WeakPolarHBondContact O-CB 3.48Å; D295-A299 PolarHBondContact O-N 3.36Å; I297-A299 VanDerWaalsContact C-N 3.33Å; I297-A299 PolarHBondContact O-N 3.12Å; A299-N301 PolarHBondContact O-N 3.44Å; A299-F302 PolarHBondContact O-N 3.47Å; A299-I303 VanDerWaalsContact O-CG1 3.32Å; A299-I303 WeakPolarHBondContact O-CG1 3.38Å; A299-I303 PolarHBondContact O-N 2.82Å
300	R	98.1	Very high	96.9	Very high	41 Å²	41	53.3 Å²	53.3	16%	0.155	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-45	177.7	-85	-176.7	-70.7	173.2	-8.8	112.8	L226 L273 A296 I297 I303 L304 F322	L226-R300 HydrophobicContact CD1-CG 3.97Å; L273-R300 HydrophobicContact CD2-CG 3.44Å; L273-R300 VanDerWaalsContact CD2-CG 3.44Å; A296-R300 VanDerWaalsContact O-CB 3.28Å; A296-R300 WeakPolarHBondContact O-CB 3.41Å; A296-R300 WeakPolarHBondContact O-CG 3.23Å; A296-R300 PolarHBondContact O-N 2.99Å; A296-R300 VanDerWaalsContact O-N 3.14Å; A296-R300 PolarHBondContact O-NE 2.94Å; I297-R300 PolarHBondContact O-N 3.38Å; R300-I303 PolarHBondContact O-N 2.97Å; R300-L304 WeakPolarHBondContact O-CB 3.41Å; R300-L304 PolarHBondContact O-N 2.92Å; R300-F322 HydrophobicContact CB-CD1 4.21Å; R300-F322 HydrophobicContact CB-CE1 3.52Å; R300-F322 HydrophobicContact CB-CZ 3.71Å; R300-F322 HydrophobicContact CG-CD1 4.07Å; R300-F322 HydrophobicContact CG-CE1 3.82Å; R300-F322 HydrophobicContact CG-CZ 4.44Å
301	N	98.3	Very high	96.6	Very high	86 Å²	86	48.4 Å²	48.4	46%	0.46	26%	0.262	S	S	.	.	H	α-helix	trans	-68.4	-38	-179.1	-71.2	-17.2	0	0	0	111.7	I297 A298 A299 L304 G305	I297-N301 WeakPolarHBondContact O-CB 3.41Å; I297-N301 PolarHBondContact O-N 3.25Å; I297-N301 PolarHBondContact O-ND2 3.35Å; A298-N301 PolarHBondContact O-N 3.45Å; A299-N301 PolarHBondContact O-N 3.44Å; N301-L304 PolarHBondContact O-N 3.41Å; N301-G305 PolarHBondContact O-N 2.83Å
302	F	98.6	Very high	95.8	Very high	47 Å²	47	51.7 Å²	51.7	21%	0.206	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-49.6	173.2	174.8	-96.5	0	0	0	111.5	L282 F286 K288 F289 A298 A299 L304 G305 M306	L282-F302 HydrophobicContact CD2-CB 4.47Å; L282-F302 HydrophobicContact CD2-CD1 3.64Å; L282-F302 HydrophobicContact CD2-CE1 4.29Å; L282-F302 HydrophobicContact CD2-CG 4.38Å; F286-F302 HydrophobicContact CB-CE1 3.81Å; F286-F302 HydrophobicContact CB-CZ 4.25Å; F286-F302 HydrophobicContact CG-CE1 4.34Å; K288-F302 HydrophobicContact CB-CE2 4.18Å; K288-F302 HydrophobicContact CB-CZ 4Å; F289-F302 HydrophobicContact CB-CD1 4.12Å; F289-F302 HydrophobicContact CB-CD2 4.2Å; F289-F302 HydrophobicContact CB-CE1 3.95Å; F289-F302 HydrophobicContact CB-CE2 4.06Å; F289-F302 HydrophobicContact CB-CG 4.22Å; F289-F302 HydrophobicContact CB-CZ 3.92Å; F289-F302 HydrophobicContact CD2-CB 3.54Å; F289-F302 AromaticContact CD2-CD1 3.98Å; F289-F302 HydrophobicContact CD2-CD1 3.98Å; F289-F302 AromaticContact CD2-CD2 3.8Å; F289-F302 HydrophobicContact CD2-CD2 3.8Å; F289-F302 HydrophobicContact CD2-CE2 4.5Å; F289-F302 AromaticContact CD2-CG 3.49Å; F289-F302 HydrophobicContact CD2-CG 3.49Å; F289-F302 VanDerWaalsContact CD2-CG 3.49Å; F289-F302 HydrophobicContact CE2-CB 3.87Å; F289-F302 HydrophobicContact CE2-CG 4.32Å; F289-F302 HydrophobicContact CG-CD1 4.41Å; F289-F302 HydrophobicContact CG-CG 4.29Å; A298-F302 WeakPolarHBondContact O-CB 3.32Å; A298-F302 PolarHBondContact O-N 2.88Å; A299-F302 PolarHBondContact O-N 3.47Å; F302-L304 VanDerWaalsContact C-N 3.32Å; F302-L304 PolarHBondContact O-N 3.45Å; F302-G305 WeakPolarHBondContact O-CA 3.37Å; F302-G305 PolarHBondContact O-N 3.41Å; F302-M306 HydrophobicContact CD1-CG 4.33Å; F302-M306 HydrophobicContact CD1-SD 3.82Å; F302-M306 HydrophobicContact CE1-CE 4.48Å; F302-M306 HydrophobicContact CE1-CG 4Å; F302-M306 HydrophobicContact CE1-SD 3.33Å; F302-M306 WeakPolarHBondContact CE1-SD 3.43Å; F302-M306 HydrophobicContact CZ-CG 4.23Å; F302-M306 HydrophobicContact CZ-SD 4.01Å; F302-M306 WeakPolarHBondContact O-CG 3.24Å; F302-M306 PolarHBondContact O-N 3.1Å
303	I	98.6	Very high	95.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-44.8	178.1	-64.8	160.9	0	0	0	110.1	L226 M242 L267 L273 L282 A299 R300 G305 M306 Y307	L226-I303 HydrophobicContact CD2-CB 4.09Å; L226-I303 HydrophobicContact CD2-CD1 3.85Å; L226-I303 HydrophobicContact CD2-CG2 3.75Å; M242-I303 HydrophobicContact CE-CD1 3.78Å; M242-I303 HydrophobicContact CE-CG1 4.29Å; M242-I303 HydrophobicContact CE-CG2 4.11Å; M242-I303 HydrophobicContact SD-CD1 3.95Å; M242-I303 HydrophobicContact SD-CG1 3.84Å; M242-I303 HydrophobicContact SD-CG2 3.86Å; L267-I303 HydrophobicContact CD2-CG2 4.31Å; L273-I303 HydrophobicContact CD2-CD1 4.29Å; L282-I303 HydrophobicContact CD1-CD1 4.25Å; L282-I303 HydrophobicContact CD1-CG1 4.49Å; L282-I303 HydrophobicContact CD2-CD1 4.35Å; L282-I303 HydrophobicContact CD2-CG1 4.21Å; A299-I303 VanDerWaalsContact O-CG1 3.32Å; A299-I303 WeakPolarHBondContact O-CG1 3.38Å; A299-I303 PolarHBondContact O-N 2.82Å; R300-I303 PolarHBondContact O-N 2.97Å; I303-G305 VanDerWaalsContact C-N 3.29Å; I303-G305 PolarHBondContact O-N 3.4Å; I303-M306 WeakPolarHBondContact O-CB 3.38Å; I303-M306 PolarHBondContact O-N 3.05Å; I303-M306 VanDerWaalsContact O-N 3.1Å; I303-Y307 HydrophobicContact CG2-CD2 4.05Å; I303-Y307 HydrophobicContact CG2-CE2 3.86Å; I303-Y307 WeakPolarHBondContact O-CD2 3.47Å; I303-Y307 PolarHBondContact O-N 3.4Å
304	L	98.4	Very high	94.6	Very high	24 Å²	24	51.6 Å²	51.6	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-54.3	-46.6	173.3	174.3	59	0	0	0	111.6	L265 L267 R300 N301 F302 M306 Y307 L308 S320 F322	L265-L304 HydrophobicContact CD2-CD1 4.18Å; L267-L304 HydrophobicContact CD1-CB 3.62Å; L267-L304 HydrophobicContact CD1-CD1 3.72Å; L267-L304 HydrophobicContact CD1-CG 4.21Å; R300-L304 WeakPolarHBondContact O-CB 3.41Å; R300-L304 PolarHBondContact O-N 2.92Å; N301-L304 PolarHBondContact O-N 3.41Å; F302-L304 VanDerWaalsContact C-N 3.32Å; F302-L304 PolarHBondContact O-N 3.45Å; L304-M306 VanDerWaalsContact C-N 3.31Å; L304-M306 PolarHBondContact O-N 3.18Å; L304-Y307 PolarHBondContact O-N 3.11Å; L304-Y307 VanDerWaalsContact O-N 3.13Å; L304-L308 HydrophobicContact CD1-CD1 3.9Å; L304-L308 HydrophobicContact CD1-CD2 4.24Å; L304-L308 HydrophobicContact CD1-CG 3.83Å; L304-L308 HydrophobicContact CD2-CD1 4.46Å; L304-L308 HydrophobicContact CG-CD1 3.87Å; L304-L308 HydrophobicContact CG-CG 4.21Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 3.44Å; L304-S320 WeakPolarHBondContact CD1-OG 3.46Å; L304-F322 HydrophobicContact CB-CZ 4.05Å; L304-F322 HydrophobicContact CD2-CE2 4.27Å; L304-F322 HydrophobicContact CD2-CZ 4.01Å
305	G	97.7	Very high	94	Very high	22 Å²	22	56.7 Å²	56.7	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-52.6	-46.9	174.5	0	0	0	0	0	112.5	N301 F302 I303 Y307 L308 E309	N301-G305 PolarHBondContact O-N 2.83Å; F302-G305 WeakPolarHBondContact O-CA 3.37Å; F302-G305 PolarHBondContact O-N 3.41Å; I303-G305 VanDerWaalsContact C-N 3.29Å; I303-G305 PolarHBondContact O-N 3.4Å; G305-Y307 VanDerWaalsContact C-N 3.31Å; G305-Y307 PolarHBondContact O-N 3.03Å; G305-L308 PolarHBondContact O-N 3.1Å; G305-L308 VanDerWaalsContact O-N 3.16Å; G305-E309 WeakPolarHBondContact O-CB 3.16Å; G305-E309 VanDerWaalsContact O-CG 3.28Å; G305-E309 WeakPolarHBondContact O-CG 3.24Å; G305-E309 PolarHBondContact O-N 3.14Å
306	M	97.8	Very high	93.5	Very high	37 Å²	37	55.4 Å²	55.4	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-58.4	-39.7	177.8	-60.3	170.1	75.4	0	0	113.2	L246 F286 F302 I303 L304 S310	L246-M306 HydrophobicContact CD1-CB 4.25Å; L246-M306 HydrophobicContact CD1-CE 3.26Å; L246-M306 HydrophobicContact CD1-SD 4.25Å; L246-M306 HydrophobicContact CD2-CB 3.87Å; F286-M306 HydrophobicContact CD1-CE 3.35Å; F286-M306 HydrophobicContact CD1-SD 4.11Å; F286-M306 HydrophobicContact CE1-CE 3.37Å; F286-M306 HydrophobicContact CE1-SD 4.38Å; F286-M306 HydrophobicContact CG-CE 4.34Å; F286-M306 HydrophobicContact CZ-CE 4.37Å; F302-M306 HydrophobicContact CD1-CG 4.33Å; F302-M306 HydrophobicContact CD1-SD 3.82Å; F302-M306 HydrophobicContact CE1-CE 4.48Å; F302-M306 HydrophobicContact CE1-CG 4Å; F302-M306 HydrophobicContact CE1-SD 3.33Å; F302-M306 WeakPolarHBondContact CE1-SD 3.43Å; F302-M306 HydrophobicContact CZ-CG 4.23Å; F302-M306 HydrophobicContact CZ-SD 4.01Å; F302-M306 WeakPolarHBondContact O-CG 3.24Å; F302-M306 PolarHBondContact O-N 3.1Å; I303-M306 WeakPolarHBondContact O-CB 3.38Å; I303-M306 PolarHBondContact O-N 3.05Å; I303-M306 VanDerWaalsContact O-N 3.1Å; L304-M306 VanDerWaalsContact C-N 3.31Å; L304-M306 PolarHBondContact O-N 3.18Å; M306-S310 PolarHBondContact O-N 2.92Å
307	Y	97.7	Very high	93	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-71.2	-42.9	176.1	-79.8	-95.7	0	0	0	111.4	F222 S224 S245 L246 F249 L265 L267 I303 L304 G305 S310	F222-Y307 HydrophobicContact CE1-CE1 4.07Å; S224-Y307 WeakPolarHBondContact CB-OH 3.44Å; S224-Y307 VanDerWaalsContact OG-CZ 3.26Å; S224-Y307 PolarHBondContact OG-OH 3.02Å; S245-Y307 VanDerWaalsContact CB-OH 3.27Å; S245-Y307 WeakPolarHBondContact CB-OH 3.45Å; S245-Y307 PolarHBondContact OG-OH 3.43Å; L246-Y307 HydrophobicContact CD2-CD1 3.96Å; L246-Y307 HydrophobicContact CD2-CD2 3.48Å; L246-Y307 VanDerWaalsContact CD2-CD2 3.48Å; L246-Y307 HydrophobicContact CD2-CE1 3.94Å; L246-Y307 HydrophobicContact CD2-CE2 3.44Å; L246-Y307 VanDerWaalsContact CD2-CE2 3.44Å; L246-Y307 HydrophobicContact CD2-CG 3.71Å; L246-Y307 HydrophobicContact CG-CD2 4.36Å; L246-Y307 HydrophobicContact CG-CE1 4.36Å; L246-Y307 HydrophobicContact CG-CE2 3.82Å; F249-Y307 HydrophobicContact CB-CD1 3.91Å; F249-Y307 HydrophobicContact CB-CE1 3.76Å; F249-Y307 AromaticContact CD1-CD1 3.49Å; F249-Y307 HydrophobicContact CD1-CD1 3.49Å; F249-Y307 VanDerWaalsContact CD1-CD1 3.49Å; F249-Y307 HydrophobicContact CD1-CE1 4.25Å; F249-Y307 HydrophobicContact CD1-CG 4.37Å; F249-Y307 HydrophobicContact CD2-CD1 4.23Å; F249-Y307 HydrophobicContact CE1-CD1 4.01Å; F249-Y307 WeakPolarHBondContact CE1-O 3.44Å; F249-Y307 AromaticContact CG-CD1 3.6Å; F249-Y307 HydrophobicContact CG-CD1 3.6Å; F249-Y307 AromaticContact CG-CE1 3.95Å; F249-Y307 HydrophobicContact CG-CE1 3.95Å; L265-Y307 HydrophobicContact CD1-CD1 3.79Å; L265-Y307 HydrophobicContact CD1-CE1 4.22Å; L265-Y307 HydrophobicContact CD1-CG 4.32Å; L265-Y307 VanDerWaalsContact CD2-CB 3.43Å; L265-Y307 HydrophobicContact CD2-CD1 4.02Å; L265-Y307 HydrophobicContact CD2-CG 3.77Å; L267-Y307 HydrophobicContact CD2-CD2 3.96Å; L267-Y307 HydrophobicContact CD2-CE2 4.06Å; I303-Y307 HydrophobicContact CG2-CD2 4.05Å; I303-Y307 HydrophobicContact CG2-CE2 3.86Å; I303-Y307 WeakPolarHBondContact O-CD2 3.47Å; I303-Y307 PolarHBondContact O-N 3.4Å; L304-Y307 PolarHBondContact O-N 3.11Å; L304-Y307 VanDerWaalsContact O-N 3.13Å; G305-Y307 VanDerWaalsContact C-N 3.31Å; G305-Y307 PolarHBondContact O-N 3.03Å; Y307-S310 WeakPolarHBondContact O-CB 3.21Å; Y307-S310 PolarHBondContact O-N 2.86Å; Y307-S310 PolarHBondContact O-OG 3.24Å
308	L	96	Very high	92.8	Very high	70 Å²	70	54.3 Å²	54.3	37%	0.366	30%	0.299	S	S	.	.	H	α-helix	trans	-66.6	-38.3	179.8	-64.8	-178.9	0	0	0	112.2	L304 G305 S310 N311 I318	L304-L308 HydrophobicContact CD1-CD1 3.9Å; L304-L308 HydrophobicContact CD1-CD2 4.24Å; L304-L308 HydrophobicContact CD1-CG 3.83Å; L304-L308 HydrophobicContact CD2-CD1 4.46Å; L304-L308 HydrophobicContact CG-CD1 3.87Å; L304-L308 HydrophobicContact CG-CG 4.21Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 3.44Å; G305-L308 PolarHBondContact O-N 3.1Å; G305-L308 VanDerWaalsContact O-N 3.16Å; L308-S310 PolarHBondContact O-N 3.21Å; L308-N311 VanDerWaalsContact O-CB 3.25Å; L308-N311 WeakPolarHBondContact O-CB 3.42Å; L308-N311 PolarHBondContact O-N 3.15Å; L308-N311 VanDerWaalsContact O-N 3.08Å; L308-I318 HydrophobicContact CD2-CB 3.85Å; L308-I318 HydrophobicContact CD2-CD1 4.3Å; L308-I318 HydrophobicContact CD2-CG2 4.04Å
309	E	94.1	Very high	92.6	Very high	164 Å²	164	56.9 Å²	56.9	77%	0.766	31%	0.305	S	S	*	.	H	α-helix	trans	-63.1	-23.3	174.8	-76.3	175	-166.6	0	0	113	G305 N311	G305-E309 WeakPolarHBondContact O-CB 3.16Å; G305-E309 VanDerWaalsContact O-CG 3.28Å; G305-E309 WeakPolarHBondContact O-CG 3.24Å; G305-E309 PolarHBondContact O-N 3.14Å; E309-N311 PolarHBondContact O-N 2.89Å
310	S	91.1	Very high	92.5	Very high	21 Å²	21	58.9 Å²	58.9	15%	0.147	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.2	176	79.6	0	0	0	0	113.1	F249 I253 M306 Y307 L308 P312	F249-S310 WeakPolarHBondContact CD1-OG 3.33Å; F249-S310 WeakPolarHBondContact CE1-OG 3.33Å; I253-S310 WeakPolarHBondContact CD1-O 3.27Å; I253-S310 WeakPolarHBondContact CD1-OG 3.32Å; M306-S310 PolarHBondContact O-N 2.92Å; Y307-S310 WeakPolarHBondContact O-CB 3.21Å; Y307-S310 PolarHBondContact O-N 2.86Å; Y307-S310 PolarHBondContact O-OG 3.24Å; L308-S310 PolarHBondContact O-N 3.21Å; S310-P312 VanDerWaalsContact O-CD 3.27Å; S310-P312 WeakPolarHBondContact O-CD 3.42Å
311	N	89.7	Confident	92.5	Very high	37 Å²	37	58.8 Å²	58.8	20%	0.198	32%	0.32	C	S	.	.			trans	-78.7	111.4	-179.4	-171.5	16.8	0	0	0	111.5	I253 L308 E309 N313 R316 I318	I253-N311 HydrophobicContact CD1-CB 4.43Å; L308-N311 VanDerWaalsContact O-CB 3.25Å; L308-N311 WeakPolarHBondContact O-CB 3.42Å; L308-N311 PolarHBondContact O-N 3.15Å; L308-N311 VanDerWaalsContact O-N 3.08Å; E309-N311 PolarHBondContact O-N 2.89Å; N311-N313 VanDerWaalsContact C-N 3.27Å; N311-N313 PolarHBondContact ND2-O 3.38Å; N311-N313 PolarHBondContact O-N 2.98Å; N311-N313 PolarHBondContact OD1-N 3.48Å; N311-N313 PolarHBondContact OD1-O 3.46Å; N311-R316 PolarHBondContact ND2-O 3.1Å; N311-I318 HydrophobicContact CB-CD1 3.57Å
312	P	79.9	Confident	92.5	Very high	97 Å²	97	57.1 Å²	57.1	63%	0.63	31%	0.308	S	S	*	.	S	Bend	trans	-75.7	-18.3	178.5	32.7	-35.6	0	0	0	112.7	N254 S310	N254-P312 VanDerWaalsContact OD1-CG 3.31Å; N254-P312 WeakPolarHBondContact OD1-CG 3.42Å; S310-P312 VanDerWaalsContact O-CD 3.27Å; S310-P312 WeakPolarHBondContact O-CD 3.42Å
313	N	84.7	Confident	92.5	Very high	69 Å²	69	54.9 Å²	54.9	37%	0.369	30%	0.299	S	S	.	.			trans	-110.1	99.6	-173.8	-173.9	-4.2	0	0	0	111.1	N311 E315 R316	N311-N313 VanDerWaalsContact C-N 3.27Å; N311-N313 PolarHBondContact ND2-O 3.38Å; N311-N313 PolarHBondContact O-N 2.98Å; N311-N313 PolarHBondContact OD1-N 3.48Å; N311-N313 PolarHBondContact OD1-O 3.46Å; N313-E315 PolarHBondContact O-N 3.03Å; N313-E315 WeakPolarHBondContact OD1-CA 3.4Å; N313-E315 VanDerWaalsContact OD1-CB 3.29Å; N313-E315 WeakPolarHBondContact OD1-CB 3.08Å; N313-E315 PolarHBondContact OD1-N 3.27Å; N313-R316 HydrophobicContact CB-CB 4.25Å; N313-R316 PolarHBondContact O-N 2.88Å; N313-R316 VanDerWaalsContact O-N 3.11Å
314	S	81.2	Confident	92.5	Very high	119 Å²	119	55.3 Å²	55.3	83%	0.832	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.1	176.3	53.1	0	0	0	0	113.9	R316	S314-R316 VanDerWaalsContact C-N 3.3Å
315	E	83.3	Confident	92.5	Very high	172 Å²	172	54.5 Å²	54.5	80%	0.804	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.6	176.4	-55	-175.8	163.8	0	0	112.6	N313 P317	N313-E315 PolarHBondContact O-N 3.03Å; N313-E315 WeakPolarHBondContact OD1-CA 3.4Å; N313-E315 VanDerWaalsContact OD1-CB 3.29Å; N313-E315 WeakPolarHBondContact OD1-CB 3.08Å; N313-E315 PolarHBondContact OD1-N 3.27Å; E315-P317 WeakPolarHBondContact O-CD 3.37Å
316	R	85.8	Confident	92.5	Very high	27 Å²	27	54.7 Å²	54.7	10%	0.102	30%	0.295	C	S	.	.	S	Bend	trans	-104.1	89.5	176.2	-171.6	179.9	-180	-162.1	1.6	109.8	I253 F258 Q259 L261 N311 N313 S314	I253-R316 PolarHBondContact O-NH1 3.47Å; F258-R316 PolarHBondContact O-NH1 3.06Å; F258-R316 PolarHBondContact O-NH2 2.85Å; Q259-R316 PolarHBondContact O-NE 3.34Å; L261-R316 VanDerWaalsContact O-CZ 3.27Å; L261-R316 PolarHBondContact O-NE 3.46Å; L261-R316 PolarHBondContact O-NH2 3.39Å; N311-R316 PolarHBondContact ND2-O 3.1Å; N313-R316 HydrophobicContact CB-CB 4.25Å; N313-R316 PolarHBondContact O-N 2.88Å; N313-R316 VanDerWaalsContact O-N 3.11Å; S314-R316 VanDerWaalsContact C-N 3.3Å
317	P	87	Confident	92.5	Very high	67 Å²	67	56.1 Å²	56.1	44%	0.435	30%	0.304	S	S	.	.			trans	-64.3	139	-178.4	26.5	-34.8	0	0	0	111.4	E315 Y319	E315-P317 WeakPolarHBondContact O-CD 3.37Å; P317-Y319 HydrophobicContact CB-CE2 4.41Å; P317-Y319 HydrophobicContact CG-CE2 3.97Å
318	I	93.8	Very high	92.5	Very high	20 Å²	20	57.8 Å²	57.8	10%	0.103	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.3	167.8	-66.3	161.6	0	0	0	107.8	F249 I263 L265 L308 N311 S320	F249-I318 HydrophobicContact CE1-CD1 3.89Å; F249-I318 HydrophobicContact CZ-CD1 3.69Å; F249-I318 HydrophobicContact CZ-CG1 4.31Å; F249-I318 HydrophobicContact CZ-CG2 4.28Å; I263-I318 HydrophobicContact CB-CG1 4.34Å; I263-I318 HydrophobicContact CG2-CG1 4.2Å; I263-I318 HydrophobicContact CG2-CG2 4.26Å; L265-I318 HydrophobicContact CB-CG2 3.62Å; L265-I318 HydrophobicContact CD2-CG2 4.35Å; L308-I318 HydrophobicContact CD2-CB 3.85Å; L308-I318 HydrophobicContact CD2-CD1 4.3Å; L308-I318 HydrophobicContact CD2-CG2 4.04Å; N311-I318 HydrophobicContact CB-CD1 3.57Å; I318-S320 PolarHBondContact O-N 3.2Å
319	Y	94.4	Very high	92.6	Very high	75 Å²	75	59.5 Å²	59.5	29%	0.294	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	104	179.2	-61.4	-86.6	0	0	0	110	I263 I264 L265 P317 T341	I263-Y319 PolarHBondContact O-N 3.05Å; I264-Y319 CarbonylContact C-O 3.5Å; I264-Y319 VanDerWaalsContact CA-O 3.28Å; I264-Y319 WeakPolarHBondContact CA-O 3.41Å; L265-Y319 PolarHBondContact N-O 2.81Å; P317-Y319 HydrophobicContact CB-CE2 4.41Å; P317-Y319 HydrophobicContact CG-CE2 3.97Å; Y319-T341 HydrophobicContact CD1-CG2 3.67Å; Y319-T341 HydrophobicContact CD2-CG2 3.48Å; Y319-T341 VanDerWaalsContact CD2-CG2 3.48Å; Y319-T341 HydrophobicContact CE1-CG2 3.67Å; Y319-T341 HydrophobicContact CE2-CG2 3.46Å; Y319-T341 VanDerWaalsContact CE2-CG2 3.46Å; Y319-T341 HydrophobicContact CG-CG2 3.57Å
320	S	97.1	Very high	92.8	Very high	41 Å²	41	52.8 Å²	52.8	29%	0.287	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139	-173.4	61.5	0	0	0	0	113.7	L265 L304 I318	L265-S320 CarbonylContact O-C 3.56Å; L265-S320 VanDerWaalsContact O-CA 3.26Å; L265-S320 WeakPolarHBondContact O-CA 3.44Å; L304-S320 WeakPolarHBondContact CD1-OG 3.46Å; I318-S320 PolarHBondContact O-N 3.2Å
321	H	98.2	Very high	93.2	Very high	40 Å²	40	51.8 Å²	51.8	19%	0.185	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135	173.9	-59.6	-88.7	0	0	0	111.6	L265 F266 L267 T323 V334	L265-H321 PolarHBondContact O-N 3.46Å; F266-H321 WeakPolarHBondContact CA-O 3.11Å; F266-H321 HydrophobicContact CD1-CB 3.94Å; F266-H321 HydrophobicContact CE1-CB 4.06Å; F266-H321 AromaticContact CE1-CD2 3.87Å; L267-H321 PolarHBondContact N-O 3.07Å; H321-T323 HydrophobicContact CB-CG2 4.27Å; H321-V334 HydrophobicContact CB-CG1 3.69Å; H321-V334 HydrophobicContact CB-CG2 4.22Å
322	F	98.5	Very high	93.5	Very high	50 Å²	50	55 Å²	55	22%	0.219	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120	168.5	-65.4	-67.7	0	0	0	110.2	L226 L267 K270 R300 L304	L226-F322 HydrophobicContact CD1-CD1 3.98Å; L226-F322 HydrophobicContact CD1-CE1 4.41Å; L267-F322 HydrophobicContact CB-CD1 3.65Å; L267-F322 HydrophobicContact CB-CE1 3.89Å; L267-F322 HydrophobicContact CD1-CD1 4.02Å; L267-F322 HydrophobicContact CD1-CE1 3.4Å; L267-F322 VanDerWaalsContact CD1-CE1 3.4Å; L267-F322 HydrophobicContact CD1-CZ 4.02Å; L267-F322 HydrophobicContact CG-CD1 4.49Å; L267-F322 HydrophobicContact CG-CE1 4.3Å; L267-F322 WeakPolarHBondContact O-CA 3.48Å; K270-F322 HydrophobicContact CD-CB 4.18Å; R300-F322 HydrophobicContact CB-CD1 4.21Å; R300-F322 HydrophobicContact CB-CE1 3.52Å; R300-F322 HydrophobicContact CB-CZ 3.71Å; R300-F322 HydrophobicContact CG-CD1 4.07Å; R300-F322 HydrophobicContact CG-CE1 3.82Å; R300-F322 HydrophobicContact CG-CZ 4.44Å; L304-F322 HydrophobicContact CB-CZ 4.05Å; L304-F322 HydrophobicContact CD2-CE2 4.27Å; L304-F322 HydrophobicContact CD2-CZ 4.01Å
323	T	98.5	Very high	94.3	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	29%	0.287	C	S	.	.			trans	-121.8	153.9	-172.2	56.2	0	0	0	0	113	F266 L267 N268 K269 K270 H321 N330 I331 V334	F266-T323 HydrophobicContact CB-CG2 4.26Å; F266-T323 HydrophobicContact CD1-CG2 4.1Å; F266-T323 HydrophobicContact CD2-CG2 4.12Å; F266-T323 HydrophobicContact CE1-CG2 4.47Å; F266-T323 HydrophobicContact CG-CG2 3.91Å; L267-T323 PolarHBondContact O-N 3.45Å; N268-T323 CarbonylContact C-O 3.58Å; N268-T323 WeakPolarHBondContact CA-O 3.26Å; N268-T323 WeakPolarHBondContact CA-OG1 3.48Å; N268-T323 VanDerWaalsContact CB-OG1 3.29Å; N268-T323 WeakPolarHBondContact CB-OG1 3.42Å; N268-T323 PolarHBondContact OD1-O 2.9Å; N268-T323 PolarHBondContact OD1-OG1 3.06Å; K269-T323 PolarHBondContact N-O 3.25Å; K270-T323 WeakPolarHBondContact CG-O 3.29Å; K270-T323 PolarHBondContact N-O 3.47Å; H321-T323 HydrophobicContact CB-CG2 4.27Å; T323-N330 VanDerWaalsContact CA-OD1 3.22Å; T323-N330 WeakPolarHBondContact CA-OD1 3.49Å; T323-I331 HydrophobicContact CG2-CD1 4.17Å; T323-V334 HydrophobicContact CG2-CB 4.36Å; T323-V334 HydrophobicContact CG2-CG1 3.88Å; T323-V334 HydrophobicContact CG2-CG2 4.11Å
324	C	98.3	Very high	94.8	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.061	27%	0.272	C	S	.	.			trans	-125.8	100.3	160	175.9	0	0	0	0	106.5	K270 D271 T326 D327 N330	K270-C324 HydrophobicContact CG-CB 4.37Å; D271-C324 PolarHBondContact OD1-SG 3.15Å; C324-T326 PolarHBondContact O-N 3.4Å; C324-T326 VanDerWaalsContact O-N 3.07Å; C324-T326 PolarHBondContact SG-OG1 3.28Å; C324-D327 HydrophobicContact CB-CB 3.95Å; C324-D327 WeakPolarHBondContact O-CB 3.35Å; C324-D327 PolarHBondContact O-N 2.71Å; C324-N330 PolarHBondContact N-OD1 3.07Å
325	A	97.9	Very high	95.4	Very high	6 Å²	6	46.1 Å²	46.1	5%	0.05	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.8	-174.1	0	0	0	0	0	114	T48 Q52 N268	T48-A325 HydrophobicContact CG2-CB 3.65Å; T48-A325 WeakPolarHBondContact CG2-O 3.05Å; Q52-A325 WeakPolarHBondContact CG-O 3.39Å; Q52-A325 PolarHBondContact NE2-O 2.97Å; N268-A325 PolarHBondContact OD1-N 3.16Å
326	T	97.6	Very high	95.9	Very high	26 Å²	26	41.4 Å²	41.4	16%	0.16	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.1	173.8	51.1	0	0	0	0	113.7	T48 Q171 L174 R175 C324	T48-T326 HydrophobicContact CG2-CG2 4.37Å; Q171-T326 PolarHBondContact NE2-O 3.29Å; Q171-T326 PolarHBondContact OE1-O 3.45Å; L174-T326 HydrophobicContact CB-CG2 4.31Å; R175-T326 HydrophobicContact CG-CG2 3.93Å; C324-T326 PolarHBondContact O-N 3.4Å; C324-T326 VanDerWaalsContact O-N 3.07Å; C324-T326 PolarHBondContact SG-OG1 3.28Å
327	D	98.2	Very high	96.2	Very high	68 Å²	68	42 Å²	42	36%	0.364	23%	0.226	S	C	.	.			trans	-94.9	105.1	173.8	178.7	-10.9	0	0	0	109.5	C324 E329 N330 I331	C324-D327 HydrophobicContact CB-CB 3.95Å; C324-D327 WeakPolarHBondContact O-CB 3.35Å; C324-D327 PolarHBondContact O-N 2.71Å; D327-E329 VanDerWaalsContact C-N 3.26Å; D327-E329 PolarHBondContact O-N 2.79Å; D327-E329 PolarHBondContact OD1-N 3.38Å; D327-N330 HydrophobicContact CB-CB 3.83Å; D327-N330 VanDerWaalsContact CG-CB 3.49Å; D327-N330 PolarHBondContact O-N 2.99Å; D327-N330 PolarHBondContact OD1-N 3.22Å; D327-N330 WeakPolarHBondContact OD2-CB 3.39Å; D327-I331 WeakPolarHBondContact O-CG1 3.34Å; D327-I331 PolarHBondContact O-N 3.41Å; D327-I331 VanDerWaalsContact O-N 3.07Å
328	T	98.1	Very high	96.4	Very high	35 Å²	35	38.8 Å²	38.8	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-33.7	-177.8	-57	0	0	0	0	112.4	Q52 I55 I56 R332	Q52-T328 PolarHBondContact NE2-OG1 3.47Å; Q52-T328 PolarHBondContact OE1-OG1 2.79Å; Q52-T328 VanDerWaalsContact OE1-OG1 3.09Å; I55-T328 HydrophobicContact CG2-CG2 4.34Å; I56-T328 HydrophobicContact CD1-CG2 4.07Å; I56-T328 HydrophobicContact CG1-CG2 3.79Å; T328-R332 WeakPolarHBondContact O-CB 3.41Å; T328-R332 PolarHBondContact O-N 3.48Å
329	E	98	Very high	96.3	Very high	105 Å²	105	39.9 Å²	39.9	49%	0.491	21%	0.209	S	C	.	.	H	α-helix	trans	-76.8	-41.6	-179.1	-171.8	53.4	-149.6	0	0	111.1	D327 I331 R332 V333	D327-E329 VanDerWaalsContact C-N 3.26Å; D327-E329 PolarHBondContact O-N 2.79Å; D327-E329 PolarHBondContact OD1-N 3.38Å; E329-I331 VanDerWaalsContact C-N 3.28Å; E329-I331 PolarHBondContact O-N 3.11Å; E329-R332 WeakPolarHBondContact O-CB 3.26Å; E329-R332 PolarHBondContact O-N 2.88Å; E329-R332 IonicContact OE2-NE 3.76Å; E329-R332 PolarHBondContact OE2-NE 3.43Å; E329-R332 VanDerWaalsContact OE2-NE 3.15Å; E329-V333 WeakPolarHBondContact O-CG2 3.44Å; E329-V333 PolarHBondContact O-N 2.95Å
330	N	98.1	Very high	95.9	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-56.4	-44.3	172.2	176.5	-108.8	0	0	0	111.8	K270 T323 C324 D327 V334	K270-N330 PolarHBondContact NZ-ND2 2.76Å; T323-N330 VanDerWaalsContact CA-OD1 3.22Å; T323-N330 WeakPolarHBondContact CA-OD1 3.49Å; C324-N330 PolarHBondContact N-OD1 3.07Å; D327-N330 HydrophobicContact CB-CB 3.83Å; D327-N330 VanDerWaalsContact CG-CB 3.49Å; D327-N330 PolarHBondContact O-N 2.99Å; D327-N330 PolarHBondContact OD1-N 3.22Å; D327-N330 WeakPolarHBondContact OD2-CB 3.39Å; N330-V334 WeakPolarHBondContact O-CB 3.39Å; N330-V334 VanDerWaalsContact O-CG2 3.27Å; N330-V334 WeakPolarHBondContact O-CG2 3.31Å; N330-V334 PolarHBondContact O-N 3.47Å
331	I	98.1	Very high	95.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-36.5	178.2	-65.6	-56.2	0	0	0	112.3	F49 Q52 M53 I56 T323 D327 E329 V334 F335	F49-I331 HydrophobicContact CD2-CD1 4.26Å; F49-I331 HydrophobicContact CD2-CG2 3.95Å; F49-I331 HydrophobicContact CE2-CG2 3.85Å; Q52-I331 HydrophobicContact CB-CB 4.43Å; Q52-I331 HydrophobicContact CB-CG2 3.79Å; Q52-I331 HydrophobicContact CG-CB 4.37Å; Q52-I331 HydrophobicContact CG-CG1 4.21Å; Q52-I331 HydrophobicContact CG-CG2 4.22Å; M53-I331 HydrophobicContact CE-CG2 3.67Å; I56-I331 HydrophobicContact CD1-CB 4.22Å; I56-I331 HydrophobicContact CD1-CG2 3.82Å; T323-I331 HydrophobicContact CG2-CD1 4.17Å; D327-I331 WeakPolarHBondContact O-CG1 3.34Å; D327-I331 PolarHBondContact O-N 3.41Å; D327-I331 VanDerWaalsContact O-N 3.07Å; E329-I331 VanDerWaalsContact C-N 3.28Å; E329-I331 PolarHBondContact O-N 3.11Å; I331-V334 PolarHBondContact O-N 3.42Å; I331-F335 VanDerWaalsContact O-CB 3.24Å; I331-F335 WeakPolarHBondContact O-CB 3.48Å; I331-F335 PolarHBondContact O-N 3.29Å
332	R	96.9	Very high	94.9	Very high	103 Å²	103	36.8 Å²	36.8	39%	0.389	20%	0.197	S	C	.	.	H	α-helix	trans	-58.2	-50.9	174.4	-172.5	-170.5	-54.9	-74.6	-5.4	111.2	I56 T328 E329 F335 V336	I56-R332 HydrophobicContact CD1-CB 4.34Å; I56-R332 HydrophobicContact CG2-CG 4.43Å; T328-R332 WeakPolarHBondContact O-CB 3.41Å; T328-R332 PolarHBondContact O-N 3.48Å; E329-R332 WeakPolarHBondContact O-CB 3.26Å; E329-R332 PolarHBondContact O-N 2.88Å; E329-R332 IonicContact OE2-NE 3.76Å; E329-R332 PolarHBondContact OE2-NE 3.43Å; E329-R332 VanDerWaalsContact OE2-NE 3.15Å; R332-F335 PolarHBondContact O-N 2.89Å; R332-V336 WeakPolarHBondContact O-CG2 3.3Å; R332-V336 PolarHBondContact O-N 3.49Å; R332-V336 VanDerWaalsContact O-N 3.17Å
333	V	96.5	Very high	94.3	Very high	87 Å²	87	36.3 Å²	36.3	53%	0.527	20%	0.196	S	C	.	.	H	α-helix	trans	-64	-46.1	-179.5	175.8	0	0	0	0	111.2	E329 F335 V336 A337	E329-V333 WeakPolarHBondContact O-CG2 3.44Å; E329-V333 PolarHBondContact O-N 2.95Å; V333-F335 VanDerWaalsContact C-N 3.33Å; V333-F335 PolarHBondContact O-N 3.5Å; V333-V336 PolarHBondContact O-N 3.08Å; V333-A337 PolarHBondContact O-N 3.33Å
334	V	95.4	Very high	93.4	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-40.1	-180	168.6	0	0	0	0	111.3	F266 H321 T323 N330 I331 V336 A337 V338	F266-V334 HydrophobicContact CD1-CG1 4.3Å; F266-V334 HydrophobicContact CE1-CG1 3.44Å; F266-V334 VanDerWaalsContact CE1-CG1 3.44Å; F266-V334 HydrophobicContact CE2-CG1 4.41Å; F266-V334 HydrophobicContact CZ-CG1 3.52Å; H321-V334 HydrophobicContact CB-CG1 3.69Å; H321-V334 HydrophobicContact CB-CG2 4.22Å; T323-V334 HydrophobicContact CG2-CB 4.36Å; T323-V334 HydrophobicContact CG2-CG1 3.88Å; T323-V334 HydrophobicContact CG2-CG2 4.11Å; N330-V334 WeakPolarHBondContact O-CB 3.39Å; N330-V334 VanDerWaalsContact O-CG2 3.27Å; N330-V334 WeakPolarHBondContact O-CG2 3.31Å; N330-V334 PolarHBondContact O-N 3.47Å; I331-V334 PolarHBondContact O-N 3.42Å; V334-V336 VanDerWaalsContact C-N 3.33Å; V334-V336 PolarHBondContact O-N 3.23Å; V334-A337 PolarHBondContact O-N 2.85Å; V334-V338 HydrophobicContact CG1-CG2 4.3Å; V334-V338 WeakPolarHBondContact O-CG2 3.28Å; V334-V338 PolarHBondContact O-N 3.15Å
335	F	94.6	Very high	92.3	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-32.9	-179.6	-168.9	-108.6	0	0	0	112.9	L36 F49 M53 H57 F188 L190 F195 I331 R332 V333 V338 K339	L36-F335 HydrophobicContact CD1-CE2 4.14Å; F49-F335 HydrophobicContact CE2-CD2 4.37Å; F49-F335 AromaticContact CZ-CD2 3.74Å; F49-F335 HydrophobicContact CZ-CD2 3.74Å; F49-F335 HydrophobicContact CZ-CE2 4.16Å; M53-F335 HydrophobicContact CE-CB 3.97Å; M53-F335 HydrophobicContact CE-CD1 4.18Å; M53-F335 HydrophobicContact CE-CD2 4.05Å; M53-F335 HydrophobicContact CE-CG 3.78Å; M53-F335 HydrophobicContact SD-CD1 3.94Å; M53-F335 HydrophobicContact SD-CD2 3.73Å; M53-F335 HydrophobicContact SD-CE1 3.96Å; M53-F335 HydrophobicContact SD-CE2 3.75Å; M53-F335 HydrophobicContact SD-CG 3.82Å; M53-F335 HydrophobicContact SD-CZ 3.88Å; H57-F335 AromaticContact CD2-CD1 3.95Å; H57-F335 AromaticContact CD2-CE1 3.93Å; H57-F335 AromaticContact NE2-CD1 3.24Å; H57-F335 WeakPolarHBondContact NE2-CD1 3.37Å; H57-F335 AromaticContact NE2-CE1 3.56Å; F188-F335 HydrophobicContact CE2-CE1 4.05Å; F188-F335 HydrophobicContact CE2-CZ 4.18Å; F188-F335 AromaticContact CZ-CE1 3.93Å; F188-F335 HydrophobicContact CZ-CE1 3.93Å; F188-F335 AromaticContact CZ-CZ 3.64Å; F188-F335 HydrophobicContact CZ-CZ 3.64Å; L190-F335 HydrophobicContact CD2-CE1 4.24Å; F195-F335 HydrophobicContact CD1-CZ 4.22Å; F195-F335 HydrophobicContact CE1-CZ 4.34Å; I331-F335 VanDerWaalsContact O-CB 3.24Å; I331-F335 WeakPolarHBondContact O-CB 3.48Å; I331-F335 PolarHBondContact O-N 3.29Å; R332-F335 PolarHBondContact O-N 2.89Å; V333-F335 VanDerWaalsContact C-N 3.33Å; V333-F335 PolarHBondContact O-N 3.5Å; F335-V338 HydrophobicContact CD2-CG1 4.38Å; F335-V338 HydrophobicContact CE2-CG1 4.47Å; F335-V338 PolarHBondContact O-N 2.95Å; F335-K339 VanDerWaalsContact O-CB 3.26Å; F335-K339 WeakPolarHBondContact O-CB 3.37Å; F335-K339 PolarHBondContact O-N 3.04Å
336	V	93.2	Very high	91	Very high	74 Å²	74	43.7 Å²	43.7	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-59.6	-48.2	171.6	171.2	0	0	0	0	110.8	R332 V333 V334 V338 K339 D340	R332-V336 WeakPolarHBondContact O-CG2 3.3Å; R332-V336 PolarHBondContact O-N 3.49Å; R332-V336 VanDerWaalsContact O-N 3.17Å; V333-V336 PolarHBondContact O-N 3.08Å; V334-V336 VanDerWaalsContact C-N 3.33Å; V334-V336 PolarHBondContact O-N 3.23Å; V336-V338 PolarHBondContact O-N 3.37Å; V336-K339 WeakPolarHBondContact O-CB 3.29Å; V336-K339 PolarHBondContact O-N 2.89Å; V336-D340 PolarHBondContact O-N 3.39Å; V336-D340 VanDerWaalsContact O-N 3.11Å
337	A	91.6	Very high	89.6	Confident	38 Å²	38	45.6 Å²	45.6	31%	0.314	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-43.7	177.9	0	0	0	0	0	112.2	V333 V334 D340 T341	V333-A337 PolarHBondContact O-N 3.33Å; V334-A337 PolarHBondContact O-N 2.85Å; A337-D340 PolarHBondContact O-N 3.45Å; A337-T341 PolarHBondContact O-N 3.17Å; A337-T341 VanDerWaalsContact O-N 3.07Å; A337-T341 PolarHBondContact O-OG1 3.19Å
338	V	91.9	Very high	87.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-45.2	176.7	161.8	0	0	0	0	111.8	I221 I264 F266 V334 F335 V336 D340 T341 I342	I221-V338 HydrophobicContact CD1-CG1 4.38Å; I264-V338 HydrophobicContact CD1-CG1 3.61Å; I264-V338 HydrophobicContact CD1-CG2 4.46Å; I264-V338 HydrophobicContact CG2-CG2 3.77Å; F266-V338 HydrophobicContact CE1-CG2 3.64Å; F266-V338 HydrophobicContact CZ-CG2 3.81Å; V334-V338 HydrophobicContact CG1-CG2 4.3Å; V334-V338 WeakPolarHBondContact O-CG2 3.28Å; V334-V338 PolarHBondContact O-N 3.15Å; F335-V338 HydrophobicContact CD2-CG1 4.38Å; F335-V338 HydrophobicContact CE2-CG1 4.47Å; F335-V338 PolarHBondContact O-N 2.95Å; V336-V338 PolarHBondContact O-N 3.37Å; V338-D340 VanDerWaalsContact C-N 3.31Å; V338-D340 PolarHBondContact O-N 3.1Å; V338-T341 WeakPolarHBondContact O-CB 3.23Å; V338-T341 PolarHBondContact O-N 3.5Å; V338-I342 HydrophobicContact CG1-CD1 3.41Å; V338-I342 VanDerWaalsContact CG1-CD1 3.41Å; V338-I342 HydrophobicContact CG1-CG1 4.28Å; V338-I342 WeakPolarHBondContact O-CD1 3.32Å; V338-I342 VanDerWaalsContact O-CG1 3.24Å; V338-I342 WeakPolarHBondContact O-CG1 3.33Å; V338-I342 PolarHBondContact O-N 2.88Å
339	K	90.5	Very high	86	Confident	44 Å²	44	54 Å²	54	19%	0.191	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-47	176.9	-177.3	-153.8	67.1	155.3	0	110.7	L190 F195 F335 V336 T341 I342 L343	L190-K339 HydrophobicContact CD2-CD 3.51Å; L190-K339 HydrophobicContact CD2-CG 4.18Å; F195-K339 HydrophobicContact CZ-CG 3.89Å; F335-K339 VanDerWaalsContact O-CB 3.26Å; F335-K339 WeakPolarHBondContact O-CB 3.37Å; F335-K339 PolarHBondContact O-N 3.04Å; V336-K339 WeakPolarHBondContact O-CB 3.29Å; V336-K339 PolarHBondContact O-N 2.89Å; K339-T341 PolarHBondContact O-N 3.29Å; K339-I342 PolarHBondContact O-N 3.23Å; K339-L343 HydrophobicContact CD-CD1 4.24Å; K339-L343 HydrophobicContact CG-CD1 3.87Å; K339-L343 HydrophobicContact CG-CG 4.38Å; K339-L343 WeakPolarHBondContact O-CB 3.38Å; K339-L343 VanDerWaalsContact O-CG 3.3Å; K339-L343 WeakPolarHBondContact O-CG 3.26Å; K339-L343 PolarHBondContact O-N 3.37Å
340	D	87.5	Confident	84.1	Confident	70 Å²	70	55.4 Å²	55.4	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-42.1	-179.5	-67.4	-14.2	0	0	0	111.4	V336 A337 V338 L343 Q344	V336-D340 PolarHBondContact O-N 3.39Å; V336-D340 VanDerWaalsContact O-N 3.11Å; A337-D340 PolarHBondContact O-N 3.45Å; V338-D340 VanDerWaalsContact C-N 3.31Å; V338-D340 PolarHBondContact O-N 3.1Å; D340-L343 PolarHBondContact O-N 3.35Å; D340-Q344 VanDerWaalsContact O-CB 3.31Å; D340-Q344 WeakPolarHBondContact O-CB 2.97Å; D340-Q344 WeakPolarHBondContact O-CG 3.43Å; D340-Q344 PolarHBondContact O-N 2.99Å
341	T	87.1	Confident	81.9	Confident	20 Å²	20	61.3 Å²	61.3	12%	0.123	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-50.8	172.7	-60.4	0	0	0	0	112.1	Y319 A337 V338 K339 L343 Q344 S345	Y319-T341 HydrophobicContact CD1-CG2 3.67Å; Y319-T341 HydrophobicContact CD2-CG2 3.48Å; Y319-T341 VanDerWaalsContact CD2-CG2 3.48Å; Y319-T341 HydrophobicContact CE1-CG2 3.67Å; Y319-T341 HydrophobicContact CE2-CG2 3.46Å; Y319-T341 VanDerWaalsContact CE2-CG2 3.46Å; Y319-T341 HydrophobicContact CG-CG2 3.57Å; A337-T341 PolarHBondContact O-N 3.17Å; A337-T341 VanDerWaalsContact O-N 3.07Å; A337-T341 PolarHBondContact O-OG1 3.19Å; V338-T341 WeakPolarHBondContact O-CB 3.23Å; V338-T341 PolarHBondContact O-N 3.5Å; K339-T341 PolarHBondContact O-N 3.29Å; T341-L343 PolarHBondContact O-N 3.06Å; T341-Q344 PolarHBondContact O-N 2.86Å; T341-S345 PolarHBondContact O-N 3.05Å; T341-S345 PolarHBondContact O-OG 2.94Å
342	I	87.5	Confident	79.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-46.8	-177.8	-65	156.2	0	0	0	110.4	V34 L36 T218 I264 V338 K339 S345 N346	V34-I342 HydrophobicContact CG1-CG2 3.71Å; L36-I342 HydrophobicContact CD1-CD1 4.18Å; L36-I342 HydrophobicContact CD2-CD1 3.53Å; L36-I342 HydrophobicContact CD2-CG1 4.35Å; T218-I342 HydrophobicContact CG2-CG2 4.13Å; I264-I342 HydrophobicContact CD1-CD1 3.98Å; I264-I342 HydrophobicContact CD1-CG1 3.87Å; V338-I342 HydrophobicContact CG1-CD1 3.41Å; V338-I342 VanDerWaalsContact CG1-CD1 3.41Å; V338-I342 HydrophobicContact CG1-CG1 4.28Å; V338-I342 WeakPolarHBondContact O-CD1 3.32Å; V338-I342 VanDerWaalsContact O-CG1 3.24Å; V338-I342 WeakPolarHBondContact O-CG1 3.33Å; V338-I342 PolarHBondContact O-N 2.88Å; K339-I342 PolarHBondContact O-N 3.23Å; I342-S345 PolarHBondContact O-N 3.45Å; I342-N346 WeakPolarHBondContact CG2-ND2 3.29Å; I342-N346 PolarHBondContact O-N 2.92Å; I342-N346 PolarHBondContact O-ND2 3.21Å
343	L	84.4	Confident	77	Confident	40 Å²	40	70.2 Å²	70.2	21%	0.209	37%	0.371	C	S	.	.	H	α-helix	trans	-67.6	-38.9	-177.3	-67.8	178.2	0	0	0	112	K339 D340 T341 N346 L347	K339-L343 HydrophobicContact CD-CD1 4.24Å; K339-L343 HydrophobicContact CG-CD1 3.87Å; K339-L343 HydrophobicContact CG-CG 4.38Å; K339-L343 WeakPolarHBondContact O-CB 3.38Å; K339-L343 VanDerWaalsContact O-CG 3.3Å; K339-L343 WeakPolarHBondContact O-CG 3.26Å; K339-L343 PolarHBondContact O-N 3.37Å; D340-L343 PolarHBondContact O-N 3.35Å; T341-L343 PolarHBondContact O-N 3.06Å; L343-N346 PolarHBondContact O-N 3.14Å; L343-L347 VanDerWaalsContact O-CG 3.3Å; L343-L347 WeakPolarHBondContact O-CG 3.28Å; L343-L347 PolarHBondContact O-N 3.47Å
344	Q	79.6	Confident	76	Confident	124 Å²	124	69.4 Å²	69.4	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-63.8	-45.6	174.7	-74.8	176	5.6	0	0	112.2	D340 T341 N346 L347 K348	D340-Q344 VanDerWaalsContact O-CB 3.31Å; D340-Q344 WeakPolarHBondContact O-CB 2.97Å; D340-Q344 WeakPolarHBondContact O-CG 3.43Å; D340-Q344 PolarHBondContact O-N 2.99Å; T341-Q344 PolarHBondContact O-N 2.86Å; Q344-N346 VanDerWaalsContact C-N 3.34Å; Q344-N346 PolarHBondContact O-N 3.3Å; Q344-L347 PolarHBondContact O-N 2.84Å; Q344-K348 PolarHBondContact O-N 2.95Å
345	S	74.8	Confident	75	Confident	31 Å²	31	72.5 Å²	72.5	22%	0.217	38%	0.379	C	S	.	.	H	α-helix	trans	-61	-43.6	177.4	-65.8	0	0	0	0	111.7	S262 T341 I342 L347 K348 E349	S262-S345 VanDerWaalsContact OG-CB 3.3Å; S262-S345 WeakPolarHBondContact OG-CB 3.33Å; S262-S345 PolarHBondContact OG-OG 3.44Å; S262-S345 VanDerWaalsContact OG-OG 3.08Å; T341-S345 PolarHBondContact O-N 3.05Å; T341-S345 PolarHBondContact O-OG 2.94Å; I342-S345 PolarHBondContact O-N 3.45Å; S345-L347 PolarHBondContact O-N 2.95Å; S345-K348 PolarHBondContact O-N 3.06Å; S345-E349 PolarHBondContact O-N 3.14Å
346	N	70.6	Confident	73.9	Confident	17 Å²	17	76.4 Å²	76.4	9%	0.091	40%	0.399	C	S	.	.	H	α-helix	trans	-64.7	-36.8	176.7	-79.8	-82.8	0	0	0	112.5	K32 T218 I342 L343 Q344 K348 E349 F350	K32-N346 VanDerWaalsContact NZ-CB 3.26Å; T218-N346 WeakPolarHBondContact CG2-ND2 2.99Å; T218-N346 VanDerWaalsContact CG2-OD1 3.3Å; T218-N346 WeakPolarHBondContact CG2-OD1 3.45Å; I342-N346 WeakPolarHBondContact CG2-ND2 3.29Å; I342-N346 PolarHBondContact O-N 2.92Å; I342-N346 PolarHBondContact O-ND2 3.21Å; L343-N346 PolarHBondContact O-N 3.14Å; Q344-N346 VanDerWaalsContact C-N 3.34Å; Q344-N346 PolarHBondContact O-N 3.3Å; N346-K348 VanDerWaalsContact C-N 3.32Å; N346-K348 PolarHBondContact O-N 3.12Å; N346-E349 PolarHBondContact O-N 3.3Å; N346-F350 WeakPolarHBondContact O-CD2 3.26Å; N346-F350 PolarHBondContact O-N 3.21Å
347	L	68.5	Low	72.7	Confident	66 Å²	66	76.6 Å²	76.6	35%	0.346	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-35.9	179.3	-75.3	168.9	0	0	0	112.4	L343 Q344 S345 E349 F350 L352 V353	L343-L347 VanDerWaalsContact O-CG 3.3Å; L343-L347 WeakPolarHBondContact O-CG 3.28Å; L343-L347 PolarHBondContact O-N 3.47Å; Q344-L347 PolarHBondContact O-N 2.84Å; S345-L347 PolarHBondContact O-N 2.95Å; L347-E349 VanDerWaalsContact C-N 3.34Å; L347-F350 PolarHBondContact O-N 2.98Å; L347-L352 HydrophobicContact CD2-CB 4.1Å; L347-L352 HydrophobicContact CD2-CD1 4.18Å; L347-L352 PolarHBondContact O-N 3.26Å; L347-V353 HydrophobicContact CB-CG2 3.96Å
348	K	62.1	Low	71.6	Confident	147 Å²	147	79 Å²	79	64%	0.639	40%	0.402	S	S	*	.	H	α-helix	trans	-63.5	-39.7	173.8	-69.3	179.2	179	-178.8	0	112	Q344 S345 N346 F350 N351	Q344-K348 PolarHBondContact O-N 2.95Å; S345-K348 PolarHBondContact O-N 3.06Å; N346-K348 VanDerWaalsContact C-N 3.32Å; N346-K348 PolarHBondContact O-N 3.12Å; K348-F350 VanDerWaalsContact C-N 3.29Å; K348-F350 PolarHBondContact O-N 2.77Å; K348-N351 PolarHBondContact O-N 3.11Å
349	E	59.9	Low	70.2	Confident	133 Å²	133	84.3 Å²	84.3	62%	0.621	43%	0.428	S	S	*	.	H	α-helix	trans	-64	-32.4	179.1	-166.4	175.5	-176.7	0	0	112.7	S345 N346 L347	S345-E349 PolarHBondContact O-N 3.14Å; N346-E349 PolarHBondContact O-N 3.3Å; L347-E349 VanDerWaalsContact C-N 3.34Å
350	F	58.4	Low	68.8	Low	133 Å²	133	87.1 Å²	87.1	58%	0.583	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	8.5	177.7	-69	-70.9	0	0	0	114.7	N346 L347 K348 L352	N346-F350 WeakPolarHBondContact O-CD2 3.26Å; N346-F350 PolarHBondContact O-N 3.21Å; L347-F350 PolarHBondContact O-N 2.98Å; K348-F350 VanDerWaalsContact C-N 3.29Å; K348-F350 PolarHBondContact O-N 2.77Å; F350-L352 HydrophobicContact CB-CD1 3.86Å; F350-L352 HydrophobicContact CB-CG 3.96Å; F350-L352 PolarHBondContact O-N 3.38Å
351	N	52.1	Low	67.3	Low	147 Å²	147	88.5 Å²	88.5	79%	0.786	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	35.5	-173.7	-67.8	-33.9	0	0	0	113.6	K348	K348-N351 PolarHBondContact O-N 3.11Å
352	L	49.1	Very low	65.7	Low	125 Å²	125	94.2 Å²	94.2	65%	0.654	48%	0.478	S	S	*	.			trans	-94.8	13.2	179.6	-69	172.5	0	0	0	113.2	L347 F350	L347-L352 HydrophobicContact CD2-CB 4.1Å; L347-L352 HydrophobicContact CD2-CD1 4.18Å; L347-L352 PolarHBondContact O-N 3.26Å; F350-L352 HydrophobicContact CB-CD1 3.86Å; F350-L352 HydrophobicContact CB-CG 3.96Å; F350-L352 PolarHBondContact O-N 3.38Å
353	V	41.4	Very low	63.7	Low	167 Å²	167	102.7 Å²	102.7	100%	1.012	52%	0.522	S	S	*	.			trans	-129.2	0	175.8	-175.9	0	0	0	0	110.1	L347	L347-V353 HydrophobicContact CB-CG2 3.96Å

Retrieved 353 of 353 residues in 565 ms (Link to these results)

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