A0A077Z3Q1_TRITR Loading...

TUDOR domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3Q1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 343 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	67.3	Low	221 Å²	221	86.7 Å²	86.7	100%	1.089	42%	0.424	S	S	*	.				0	-7.2	0	-64.9	-170	-162.3	0	0	115.1	G3	M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 2.77Å
2	V	45.7	Very low	68.6	Low	125 Å²	125	84.4 Å²	84.4	76%	0.758	42%	0.415	S	S	*	.			trans	-80.5	-8.2	-179.8	-173.4	0	0	0	0	113.2
3	G	50.2	Low	70	Confident	16 Å²	16	78.1 Å²	78.1	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-79.2	-42.7	-172.4	0	0	0	0	0	115.5	M1 N5 R106 R110	M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 2.77Å; G3-N5 VanDerWaalsContact C-N 3.32Å; G3-N5 PolarHBondContact O-N 2.92Å; G3-R106 PolarHBondContact O-NH1 3.15Å; G3-R110 PolarHBondContact O-NH2 3.49Å
4	D	59.5	Low	70.6	Confident	110 Å²	110	73.7 Å²	73.7	59%	0.588	37%	0.366	S	S	*	.	H	α-helix	trans	-74.1	-25.8	-170.7	-64.6	-14.7	0	0	0	112.6	F6 R8	D4-F6 PolarHBondContact O-N 2.8Å; D4-R8 VanDerWaalsContact O-CB 3.3Å; D4-R8 WeakPolarHBondContact O-CB 3.44Å; D4-R8 PolarHBondContact O-N 3.41Å
5	N	74.8	Confident	71.3	Confident	81 Å²	81	79.5 Å²	79.5	43%	0.433	39%	0.392	S	S	.	.	H	α-helix	trans	-64.4	-41.9	-179.8	-77.2	-4.6	0	0	0	111.9	G3 E7 R8 Y9	G3-N5 VanDerWaalsContact C-N 3.32Å; G3-N5 PolarHBondContact O-N 2.92Å; N5-E7 PolarHBondContact O-N 3.24Å; N5-R8 PolarHBondContact O-N 3.12Å; N5-Y9 HydrophobicContact CB-CD2 4.25Å; N5-Y9 HydrophobicContact CB-CE2 3.93Å; N5-Y9 WeakPolarHBondContact O-CD2 3.26Å; N5-Y9 PolarHBondContact O-N 3.16Å
6	F	74.6	Confident	72.1	Confident	24 Å²	24	76.9 Å²	76.9	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-48.7	-178.6	-177.3	-70.8	0	0	0	112	D4 R8 Y9 C10 K28 I32 A102	D4-F6 PolarHBondContact O-N 2.8Å; F6-R8 VanDerWaalsContact C-N 3.35Å; F6-Y9 PolarHBondContact O-N 3.21Å; F6-C10 VanDerWaalsContact CD1-SG 3.58Å; F6-C10 WeakPolarHBondContact CE1-SG 3.38Å; F6-C10 PolarHBondContact O-N 2.97Å; F6-C10 PolarHBondContact O-SG 3.04Å; F6-K28 HydrophobicContact CD2-CD 4.23Å; F6-K28 HydrophobicContact CE2-CD 4.44Å; F6-I32 HydrophobicContact CZ-CG1 4.48Å; F6-A102 HydrophobicContact CE1-CB 4.07Å; F6-A102 WeakPolarHBondContact CE1-O 3.4Å; F6-A102 HydrophobicContact CZ-CB 4.17Å
7	E	75	Confident	72.8	Confident	43 Å²	43	83.7 Å²	83.7	20%	0.201	40%	0.402	C	S	.	.	H	α-helix	trans	-63.4	-45	179.7	173	178	172	0	0	110.5	N5 Y9 C10 K11 V103	N5-E7 PolarHBondContact O-N 3.24Å; E7-Y9 VanDerWaalsContact C-N 3.28Å; E7-Y9 PolarHBondContact O-N 2.75Å; E7-C10 PolarHBondContact O-N 2.81Å; E7-C10 VanDerWaalsContact O-N 3.14Å; E7-K11 HydrophobicContact CG-CD 4.15Å; E7-K11 WeakPolarHBondContact O-CB 3.44Å; E7-K11 PolarHBondContact O-N 2.94Å; E7-K11 WeakPolarHBondContact OE1-CE 3.19Å; E7-K11 IonicContact OE1-NZ 3.9Å; E7-K11 PolarHBondContact OE1-NZ 2.91Å; E7-V103 HydrophobicContact CB-CG1 4.18Å; E7-V103 HydrophobicContact CG-CG1 3.57Å; E7-V103 HydrophobicContact CG-CG2 4.2Å
8	R	81.5	Confident	73.6	Confident	186 Å²	186	79.1 Å²	79.1	70%	0.702	38%	0.38	S	S	*	.	H	α-helix	trans	-56	-43.5	174.2	-176.1	179.7	179.7	-179.1	0.5	111.9	D4 N5 F6 N12	D4-R8 VanDerWaalsContact O-CB 3.3Å; D4-R8 WeakPolarHBondContact O-CB 3.44Å; D4-R8 PolarHBondContact O-N 3.41Å; N5-R8 PolarHBondContact O-N 3.12Å; F6-R8 VanDerWaalsContact C-N 3.35Å; R8-N12 VanDerWaalsContact O-CB 3.24Å; R8-N12 WeakPolarHBondContact O-CB 3.46Å; R8-N12 PolarHBondContact O-N 3.48Å
9	Y	81.8	Confident	74.4	Confident	59 Å²	59	80.3 Å²	80.3	23%	0.231	39%	0.386	C	S	.	.	H	α-helix	trans	-68.1	-38.8	177.1	-72.3	-62	0	0	0	112.2	N5 F6 E7 N12 L13 D24 K28	N5-Y9 HydrophobicContact CB-CD2 4.25Å; N5-Y9 HydrophobicContact CB-CE2 3.93Å; N5-Y9 WeakPolarHBondContact O-CD2 3.26Å; N5-Y9 PolarHBondContact O-N 3.16Å; F6-Y9 PolarHBondContact O-N 3.21Å; E7-Y9 VanDerWaalsContact C-N 3.28Å; E7-Y9 PolarHBondContact O-N 2.75Å; Y9-N12 WeakPolarHBondContact O-CB 3.34Å; Y9-N12 PolarHBondContact O-N 3.38Å; Y9-L13 WeakPolarHBondContact O-CB 3.38Å; Y9-L13 VanDerWaalsContact O-CG 3.24Å; Y9-L13 WeakPolarHBondContact O-CG 3.46Å; Y9-L13 PolarHBondContact O-N 2.96Å; Y9-D24 HydrophobicContact CD1-CB 4.19Å; Y9-D24 HydrophobicContact CE1-CB 3.36Å; Y9-D24 PolarHBondContact OH-OD2 3.32Å; Y9-K28 HydrophobicContact CD2-CD 4.15Å; Y9-K28 HydrophobicContact CG-CD 4.36Å; Y9-K28 HydrophobicContact CG-CG 4.49Å
10	C	78.6	Confident	75.3	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-69	-39.8	177.5	-64.7	0	0	0	0	112.3	F6 E7 L13 A14 V103	F6-C10 VanDerWaalsContact CD1-SG 3.58Å; F6-C10 WeakPolarHBondContact CE1-SG 3.38Å; F6-C10 PolarHBondContact O-N 2.97Å; F6-C10 PolarHBondContact O-SG 3.04Å; E7-C10 PolarHBondContact O-N 2.81Å; E7-C10 VanDerWaalsContact O-N 3.14Å; C10-L13 PolarHBondContact O-N 3.38Å; C10-A14 PolarHBondContact O-N 3.36Å; C10-V103 HydrophobicContact CB-CG2 3.32Å
11	K	79.1	Confident	76.1	Confident	89 Å²	89	77.7 Å²	77.7	39%	0.387	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-45.9	170.2	-75.2	177	171	167.3	0	110.9	E7 L13 A14 E15	E7-K11 HydrophobicContact CG-CD 4.15Å; E7-K11 WeakPolarHBondContact O-CB 3.44Å; E7-K11 PolarHBondContact O-N 2.94Å; E7-K11 WeakPolarHBondContact OE1-CE 3.19Å; E7-K11 IonicContact OE1-NZ 3.9Å; E7-K11 PolarHBondContact OE1-NZ 2.91Å; K11-L13 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 3.48Å; K11-A14 PolarHBondContact O-N 3.11Å; K11-A14 VanDerWaalsContact O-N 3.15Å; K11-E15 WeakPolarHBondContact O-CB 3.22Å; K11-E15 WeakPolarHBondContact O-CG 3.5Å; K11-E15 PolarHBondContact O-N 3.34Å
12	N	82.3	Confident	78.7	Confident	59 Å²	59	70.6 Å²	70.6	32%	0.316	35%	0.346	S	S	.	.	H	α-helix	trans	-58.3	-44.2	174.6	-175.5	-76.7	0	0	0	111.9	R8 Y9 A14 E15 T16	R8-N12 VanDerWaalsContact O-CB 3.24Å; R8-N12 WeakPolarHBondContact O-CB 3.46Å; R8-N12 PolarHBondContact O-N 3.48Å; Y9-N12 WeakPolarHBondContact O-CB 3.34Å; Y9-N12 PolarHBondContact O-N 3.38Å; N12-A14 VanDerWaalsContact C-N 3.34Å; N12-A14 PolarHBondContact O-N 3.21Å; N12-E15 PolarHBondContact O-N 3.14Å; N12-T16 WeakPolarHBondContact O-CA 3.33Å; N12-T16 WeakPolarHBondContact O-CB 3.23Å; N12-T16 PolarHBondContact O-N 3.02Å; N12-T16 PolarHBondContact O-OG1 3.21Å; N12-T16 PolarHBondContact OD1-OG1 3.04Å
13	L	86.4	Confident	81	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176.1	-74.9	172.6	0	0	0	111.8	Y9 C10 K11 Y21 A25 K28 W29 I32 Y99	Y9-L13 WeakPolarHBondContact O-CB 3.38Å; Y9-L13 VanDerWaalsContact O-CG 3.24Å; Y9-L13 WeakPolarHBondContact O-CG 3.46Å; Y9-L13 PolarHBondContact O-N 2.96Å; C10-L13 PolarHBondContact O-N 3.38Å; K11-L13 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 3.48Å; L13-Y21 HydrophobicContact CB-CE1 4.35Å; L13-Y21 HydrophobicContact CD2-CD1 3.86Å; L13-Y21 HydrophobicContact CD2-CD2 3.46Å; L13-Y21 VanDerWaalsContact CD2-CD2 3.46Å; L13-Y21 HydrophobicContact CD2-CE1 3.63Å; L13-Y21 HydrophobicContact CD2-CE2 3.2Å; L13-Y21 HydrophobicContact CD2-CG 3.79Å; L13-Y21 WeakPolarHBondContact O-CE1 3.37Å; L13-Y21 PolarHBondContact O-OH 3.23Å; L13-A25 HydrophobicContact CD2-CB 3.83Å; L13-A25 HydrophobicContact CG-CB 4.35Å; L13-K28 HydrophobicContact CD1-CB 4.02Å; L13-K28 HydrophobicContact CD1-CG 4.42Å; L13-W29 HydrophobicContact CD1-CB 4.43Å; L13-I32 HydrophobicContact CD1-CD1 4.02Å; L13-Y99 HydrophobicContact CB-CD1 4.15Å; L13-Y99 HydrophobicContact CB-CD2 3.67Å; L13-Y99 HydrophobicContact CB-CE1 4.16Å; L13-Y99 HydrophobicContact CB-CE2 3.67Å; L13-Y99 HydrophobicContact CB-CG 3.89Å; L13-Y99 HydrophobicContact CD1-CD1 4.04Å; L13-Y99 HydrophobicContact CD1-CE1 3.87Å
14	A	79.4	Confident	83.1	Confident	17 Å²	17	69.8 Å²	69.8	14%	0.14	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-39.4	177.6	0	0	0	0	0	113.1	C10 K11 N12 I96 Y99 L100	C10-A14 PolarHBondContact O-N 3.36Å; K11-A14 PolarHBondContact O-N 3.11Å; K11-A14 VanDerWaalsContact O-N 3.15Å; N12-A14 VanDerWaalsContact C-N 3.34Å; N12-A14 PolarHBondContact O-N 3.21Å; A14-I96 HydrophobicContact CB-CG1 4.49Å; A14-I96 HydrophobicContact CB-CG2 4.12Å; A14-Y99 HydrophobicContact CB-CD2 4.35Å; A14-L100 HydrophobicContact CB-CD2 4.44Å
15	E	80.9	Confident	84.6	Confident	160 Å²	160	64.5 Å²	64.5	75%	0.748	31%	0.306	S	S	*	.	H	α-helix	trans	-92.1	-20	-172.2	-66.4	169	-176.1	0	0	113.3	K11 N12	K11-E15 WeakPolarHBondContact O-CB 3.22Å; K11-E15 WeakPolarHBondContact O-CG 3.5Å; K11-E15 PolarHBondContact O-N 3.34Å; N12-E15 PolarHBondContact O-N 3.14Å
16	T	83.8	Confident	85.5	Confident	39 Å²	39	60.7 Å²	60.7	24%	0.239	29%	0.286	C	S	.	.	S	Bend	trans	-100.9	136.8	-174.5	-50.6	0	0	0	0	110.4	N12 A18 N20 Y21	N12-T16 WeakPolarHBondContact O-CA 3.33Å; N12-T16 WeakPolarHBondContact O-CB 3.23Å; N12-T16 PolarHBondContact O-N 3.02Å; N12-T16 PolarHBondContact O-OG1 3.21Å; N12-T16 PolarHBondContact OD1-OG1 3.04Å; T16-A18 PolarHBondContact O-N 2.93Å; T16-N20 HydrophobicContact CG2-CB 3.71Å; T16-Y21 HydrophobicContact CG2-CD1 4.18Å; T16-Y21 HydrophobicContact CG2-CE1 4.46Å; T16-Y21 WeakPolarHBondContact O-CE1 3.27Å
17	R	84.1	Confident	86.4	Confident	192 Å²	192	60.6 Å²	60.6	73%	0.725	29%	0.288	S	S	*	.			trans	-61.8	134.2	169.1	-68.8	-174.3	174	-174	-1.9	109.3	M19 N20	R17-M19 HydrophobicContact CB-CG 4.04Å; R17-M19 PolarHBondContact O-N 3.13Å; R17-N20 WeakPolarHBondContact O-CA 2.81Å; R17-N20 WeakPolarHBondContact O-CB 3.4Å; R17-N20 PolarHBondContact O-N 3.07Å
18	A	86.4	Confident	87.1	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.008	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-61.3	-26	-173.3	0	0	0	0	0	115.2	T16 N20 Y21 G50 L54 F84	T16-A18 PolarHBondContact O-N 2.93Å; A18-N20 PolarHBondContact O-N 3.24Å; A18-Y21 HydrophobicContact CB-CD1 4.43Å; A18-Y21 HydrophobicContact CB-CD2 3.51Å; A18-Y21 HydrophobicContact CB-CE1 4.24Å; A18-Y21 HydrophobicContact CB-CE2 3.28Å; A18-Y21 HydrophobicContact CB-CG 4.08Å; A18-Y21 WeakPolarHBondContact O-CB 3.43Å; A18-Y21 PolarHBondContact O-N 3.31Å; A18-G50 CarbonylContact O-C 3.57Å; A18-G50 WeakPolarHBondContact O-CA 3.3Å; A18-L54 HydrophobicContact CB-CD1 4.35Å; A18-F84 HydrophobicContact CB-CE1 3.89Å; A18-F84 HydrophobicContact CB-CZ 3.54Å
19	M	89.2	Confident	87.6	Confident	101 Å²	101	50.7 Å²	50.7	50%	0.498	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-54.9	-22.1	171.7	64.9	-177	-70.4	0	0	113.4	R17 K51 L54	R17-M19 HydrophobicContact CB-CG 4.04Å; R17-M19 PolarHBondContact O-N 3.13Å; M19-K51 PolarHBondContact O-N 2.87Å; M19-L54 HydrophobicContact CB-CD1 3.9Å
20	N	92	Very high	87.9	Confident	101 Å²	101	47.9 Å²	47.9	54%	0.54	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-105.7	7.6	-179.3	-58.7	-30.7	0	0	0	112.9	T16 R17 A18 T22	T16-N20 HydrophobicContact CG2-CB 3.71Å; R17-N20 WeakPolarHBondContact O-CA 2.81Å; R17-N20 WeakPolarHBondContact O-CB 3.4Å; R17-N20 PolarHBondContact O-N 3.07Å; A18-N20 PolarHBondContact O-N 3.24Å; N20-T22 PolarHBondContact O-N 2.92Å
21	Y	93	Very high	88.3	Confident	6 Å²	6	51 Å²	51	2%	0.024	25%	0.253	C	S	.	.			trans	-63.1	134.5	174.7	-71.1	-12.7	0	0	0	110.7	L13 T16 A18 A25 I26 G50 F84 Y99	L13-Y21 HydrophobicContact CB-CE1 4.35Å; L13-Y21 HydrophobicContact CD2-CD1 3.86Å; L13-Y21 HydrophobicContact CD2-CD2 3.46Å; L13-Y21 VanDerWaalsContact CD2-CD2 3.46Å; L13-Y21 HydrophobicContact CD2-CE1 3.63Å; L13-Y21 HydrophobicContact CD2-CE2 3.2Å; L13-Y21 HydrophobicContact CD2-CG 3.79Å; L13-Y21 WeakPolarHBondContact O-CE1 3.37Å; L13-Y21 PolarHBondContact O-OH 3.23Å; T16-Y21 HydrophobicContact CG2-CD1 4.18Å; T16-Y21 HydrophobicContact CG2-CE1 4.46Å; T16-Y21 WeakPolarHBondContact O-CE1 3.27Å; A18-Y21 HydrophobicContact CB-CD1 4.43Å; A18-Y21 HydrophobicContact CB-CD2 3.51Å; A18-Y21 HydrophobicContact CB-CE1 4.24Å; A18-Y21 HydrophobicContact CB-CE2 3.28Å; A18-Y21 HydrophobicContact CB-CG 4.08Å; A18-Y21 WeakPolarHBondContact O-CB 3.43Å; A18-Y21 PolarHBondContact O-N 3.31Å; Y21-A25 HydrophobicContact CG-CB 4.25Å; Y21-I26 HydrophobicContact CD2-CD1 3.65Å; Y21-I26 HydrophobicContact CG-CD1 4.13Å; Y21-G50 PolarHBondContact O-N 3.23Å; Y21-F84 AromaticContact CE2-CZ 3.88Å; Y21-F84 HydrophobicContact CE2-CZ 3.88Å; Y21-Y99 WeakPolarHBondContact OH-CE2 3.29Å; Y21-Y99 PolarHBondContact OH-OH 2.9Å
22	T	94.2	Very high	88.3	Confident	72 Å²	72	48.5 Å²	48.5	44%	0.442	24%	0.244	S	C	.	.			trans	-72.6	162.7	169.7	62.5	0	0	0	0	110.3	N20 D24 A25 I26	N20-T22 PolarHBondContact O-N 2.92Å; T22-D24 PolarHBondContact O-N 3.24Å; T22-A25 WeakPolarHBondContact O-CA 3.5Å; T22-A25 WeakPolarHBondContact O-CB 3.44Å; T22-A25 PolarHBondContact O-N 3.16Å; T22-A25 PolarHBondContact OG1-N 2.86Å; T22-I26 PolarHBondContact O-N 2.91Å
23	T	94.8	Very high	88.1	Confident	38 Å²	38	47.4 Å²	47.4	23%	0.233	24%	0.236	C	C	.	.	H	α-helix	trans	-54.5	-37.3	173.4	-49.8	0	0	0	0	111.9	I26 S27 I43 K47 V48	T23-I26 PolarHBondContact O-N 2.92Å; T23-S27 PolarHBondContact O-N 2.92Å; T23-I43 HydrophobicContact CG2-CD1 4.13Å; T23-I43 HydrophobicContact CG2-CG2 3.99Å; T23-K47 HydrophobicContact CG2-CB 4.45Å; T23-K47 PolarHBondContact OG1-O 2.89Å; T23-V48 WeakPolarHBondContact CA-O 3.46Å
24	D	93	Very high	88	Confident	85 Å²	85	51.8 Å²	51.8	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-41.3	173.9	-69.8	-15	0	0	0	112.9	Y9 T22 I26 S27 K28	Y9-D24 HydrophobicContact CD1-CB 4.19Å; Y9-D24 HydrophobicContact CE1-CB 3.36Å; Y9-D24 PolarHBondContact OH-OD2 3.32Å; T22-D24 PolarHBondContact O-N 3.24Å; D24-I26 VanDerWaalsContact C-N 3.3Å; D24-I26 PolarHBondContact O-N 2.91Å; D24-S27 WeakPolarHBondContact O-CB 3.47Å; D24-S27 PolarHBondContact O-N 2.8Å; D24-K28 PolarHBondContact O-N 2.8Å
25	A	91.7	Very high	88.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-38	176.1	0	0	0	0	0	110.7	L13 Y21 T22 K28 W29	L13-A25 HydrophobicContact CD2-CB 3.83Å; L13-A25 HydrophobicContact CG-CB 4.35Å; Y21-A25 HydrophobicContact CG-CB 4.25Å; T22-A25 WeakPolarHBondContact O-CA 3.5Å; T22-A25 WeakPolarHBondContact O-CB 3.44Å; T22-A25 PolarHBondContact O-N 3.16Å; T22-A25 PolarHBondContact OG1-N 2.86Å; A25-K28 WeakPolarHBondContact O-CA 3.34Å; A25-K28 VanDerWaalsContact O-CB 3.27Å; A25-K28 WeakPolarHBondContact O-CB 3.29Å; A25-K28 PolarHBondContact O-N 3.32Å; A25-K28 VanDerWaalsContact O-N 3.14Å; A25-W29 PolarHBondContact O-N 3.19Å
26	I	93.4	Very high	88.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-42.7	172.3	-58.5	-44.3	0	0	0	111.6	Y21 T22 T23 D24 K28 W29 L30 I43 L53	Y21-I26 HydrophobicContact CD2-CD1 3.65Å; Y21-I26 HydrophobicContact CG-CD1 4.13Å; T22-I26 PolarHBondContact O-N 2.91Å; T23-I26 PolarHBondContact O-N 2.92Å; D24-I26 VanDerWaalsContact C-N 3.3Å; D24-I26 PolarHBondContact O-N 2.91Å; I26-K28 PolarHBondContact O-N 2.86Å; I26-W29 HydrophobicContact CG2-CE3 4.2Å; I26-W29 WeakPolarHBondContact O-CB 3.41Å; I26-W29 PolarHBondContact O-N 2.72Å; I26-W29 VanDerWaalsContact O-N 3.13Å; I26-L30 WeakPolarHBondContact O-CG 3.38Å; I26-L30 PolarHBondContact O-N 2.77Å; I26-I43 HydrophobicContact CB-CD1 4.06Å; I26-I43 HydrophobicContact CG2-CD1 3.89Å; I26-L53 HydrophobicContact CD1-CD2 3.83Å; I26-L53 HydrophobicContact CG2-CD2 4.36Å
27	S	93.6	Very high	89	Confident	22 Å²	22	49 Å²	49	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-36.4	173.6	-170.5	0	0	0	0	111.2	T23 D24 E31 K39	T23-S27 PolarHBondContact O-N 2.92Å; D24-S27 WeakPolarHBondContact O-CB 3.47Å; D24-S27 PolarHBondContact O-N 2.8Å; S27-E31 PolarHBondContact O-N 3.33Å; S27-K39 WeakPolarHBondContact O-CE 3.1Å; S27-K39 PolarHBondContact O-NZ 2.78Å; S27-K39 VanDerWaalsContact O-NZ 3.13Å; S27-K39 WeakPolarHBondContact OG-CE 3.2Å; S27-K39 PolarHBondContact OG-NZ 2.89Å
28	K	90.5	Very high	89.4	Confident	21 Å²	21	39.8 Å²	39.8	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-71.1	-44.6	175.2	-146.5	73.9	-138.9	161.6	0	113.2	F6 Y9 L13 D24 A25 I26 L30 E31 I32	F6-K28 HydrophobicContact CD2-CD 4.23Å; F6-K28 HydrophobicContact CE2-CD 4.44Å; Y9-K28 HydrophobicContact CD2-CD 4.15Å; Y9-K28 HydrophobicContact CG-CD 4.36Å; Y9-K28 HydrophobicContact CG-CG 4.49Å; L13-K28 HydrophobicContact CD1-CB 4.02Å; L13-K28 HydrophobicContact CD1-CG 4.42Å; D24-K28 PolarHBondContact O-N 2.8Å; A25-K28 WeakPolarHBondContact O-CA 3.34Å; A25-K28 VanDerWaalsContact O-CB 3.27Å; A25-K28 WeakPolarHBondContact O-CB 3.29Å; A25-K28 PolarHBondContact O-N 3.32Å; A25-K28 VanDerWaalsContact O-N 3.14Å; I26-K28 PolarHBondContact O-N 2.86Å; K28-L30 VanDerWaalsContact C-N 3.29Å; K28-L30 PolarHBondContact O-N 3.5Å; K28-E31 WeakPolarHBondContact CE-OE2 3.41Å; K28-E31 IonicContact NZ-OE1 2.86Å; K28-E31 PolarHBondContact NZ-OE1 3.28Å; K28-E31 IonicContact NZ-OE2 2.65Å; K28-E31 PolarHBondContact NZ-OE2 2.9Å; K28-E31 WeakPolarHBondContact O-CB 3.39Å; K28-E31 PolarHBondContact O-N 3.01Å; K28-I32 WeakPolarHBondContact O-CG1 3.3Å; K28-I32 PolarHBondContact O-N 3.12Å
29	W	90.6	Very high	89.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.2	-44.5	174	168.7	82.5	0	0	0	111.4	L13 A25 I26 E31 I32 F33 L53 I81 F84	L13-W29 HydrophobicContact CD1-CB 4.43Å; A25-W29 PolarHBondContact O-N 3.19Å; I26-W29 HydrophobicContact CG2-CE3 4.2Å; I26-W29 WeakPolarHBondContact O-CB 3.41Å; I26-W29 PolarHBondContact O-N 2.72Å; I26-W29 VanDerWaalsContact O-N 3.13Å; W29-E31 VanDerWaalsContact C-N 3.27Å; W29-E31 PolarHBondContact O-N 2.89Å; W29-I32 PolarHBondContact O-N 3.41Å; W29-I32 VanDerWaalsContact O-N 3.14Å; W29-F33 AromaticContact CD1-CD2 3.39Å; W29-F33 AromaticContact CD1-CE2 3.39Å; W29-F33 HydrophobicContact CD2-CD2 4.48Å; W29-F33 AromaticContact CE2-CD2 3.99Å; W29-F33 HydrophobicContact CG-CD2 4.13Å; W29-F33 HydrophobicContact CG-CE2 4.47Å; W29-F33 AromaticContact NE1-CD2 3.26Å; W29-F33 VanDerWaalsContact NE1-CD2 3.26Å; W29-F33 AromaticContact NE1-CE2 3.3Å; W29-F33 VanDerWaalsContact NE1-CE2 3.3Å; W29-F33 AromaticContact NE1-CG 3.95Å; W29-F33 WeakPolarHBondContact O-CD2 3.43Å; W29-F33 PolarHBondContact O-N 3.23Å; W29-L53 HydrophobicContact CD2-CD2 4.23Å; W29-L53 HydrophobicContact CE3-CD2 3.87Å; W29-L53 HydrophobicContact CH2-CD1 4.26Å; W29-L53 HydrophobicContact CH2-CD2 4.18Å; W29-L53 HydrophobicContact CZ2-CD2 4.49Å; W29-L53 HydrophobicContact CZ3-CD1 3.87Å; W29-L53 HydrophobicContact CZ3-CD2 3.84Å; W29-I81 HydrophobicContact CH2-CG1 3.89Å; W29-F84 AromaticContact CD1-CE2 3.93Å; W29-F84 HydrophobicContact CZ2-CB 3.99Å; W29-F84 HydrophobicContact CZ2-CD1 4.47Å; W29-F84 HydrophobicContact CZ2-CG 4.11Å; W29-F84 AromaticContact NE1-CD2 3.36Å; W29-F84 AromaticContact NE1-CE2 3.71Å; W29-F84 AromaticContact NE1-CG 3.73Å
30	L	89.3	Confident	89.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-35.8	175.1	-70.8	172.4	0	0	0	112.7	I26 K28 C34 Q35 T36 W38 K39 L42 I43	I26-L30 WeakPolarHBondContact O-CG 3.38Å; I26-L30 PolarHBondContact O-N 2.77Å; K28-L30 VanDerWaalsContact C-N 3.29Å; K28-L30 PolarHBondContact O-N 3.5Å; L30-C34 PolarHBondContact O-N 2.84Å; L30-Q35 HydrophobicContact CB-CB 4.44Å; L30-Q35 HydrophobicContact CD2-CB 3.56Å; L30-Q35 CarbonylContact O-C 3.52Å; L30-Q35 WeakPolarHBondContact O-CA 3.23Å; L30-Q35 PolarHBondContact O-N 3.06Å; L30-T36 PolarHBondContact O-N 2.99Å; L30-W38 HydrophobicContact CD2-CB 4.29Å; L30-K39 HydrophobicContact CB-CG 4.33Å; L30-K39 HydrophobicContact CD1-CG 3.88Å; L30-L42 HydrophobicContact CD1-CB 4.36Å; L30-L42 HydrophobicContact CD1-CD1 4.17Å; L30-L42 HydrophobicContact CD2-CD1 4.08Å; L30-I43 HydrophobicContact CD1-CD1 4.09Å; L30-I43 HydrophobicContact CD1-CG1 3.95Å
31	E	86	Confident	89.8	Confident	65 Å²	65	37.9 Å²	37.9	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-66.7	-47.6	174	-70	175.1	-132	0	0	112	S27 K28 W29 F33 C34 T36 K39	S27-E31 PolarHBondContact O-N 3.33Å; K28-E31 WeakPolarHBondContact CE-OE2 3.41Å; K28-E31 IonicContact NZ-OE1 2.86Å; K28-E31 PolarHBondContact NZ-OE1 3.28Å; K28-E31 IonicContact NZ-OE2 2.65Å; K28-E31 PolarHBondContact NZ-OE2 2.9Å; K28-E31 WeakPolarHBondContact O-CB 3.39Å; K28-E31 PolarHBondContact O-N 3.01Å; W29-E31 VanDerWaalsContact C-N 3.27Å; W29-E31 PolarHBondContact O-N 2.89Å; E31-F33 VanDerWaalsContact C-N 3.27Å; E31-F33 PolarHBondContact O-N 2.81Å; E31-C34 PolarHBondContact O-N 3.12Å; E31-C34 VanDerWaalsContact O-N 3.11Å; E31-T36 HydrophobicContact CB-CG2 4.26Å; E31-T36 HydrophobicContact CG-CG2 3.84Å; E31-K39 VanDerWaalsContact CD-NZ 3.34Å; E31-K39 VanDerWaalsContact CG-CE 3.42Å; E31-K39 VanDerWaalsContact CG-NZ 3.31Å; E31-K39 IonicContact OE1-NZ 2.8Å; E31-K39 PolarHBondContact OE1-NZ 2.69Å
32	I	78.9	Confident	89.9	Confident	38 Å²	38	37.6 Å²	37.6	20%	0.195	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-38.7	-176.9	-65.2	171.6	0	0	0	110.8	F6 L13 K28 W29 C34 Y99 A102	F6-I32 HydrophobicContact CZ-CG1 4.48Å; L13-I32 HydrophobicContact CD1-CD1 4.02Å; K28-I32 WeakPolarHBondContact O-CG1 3.3Å; K28-I32 PolarHBondContact O-N 3.12Å; W29-I32 PolarHBondContact O-N 3.41Å; W29-I32 VanDerWaalsContact O-N 3.14Å; I32-C34 VanDerWaalsContact C-N 3.32Å; I32-C34 PolarHBondContact O-N 2.93Å; I32-Y99 HydrophobicContact CD1-CD1 3.64Å; I32-Y99 HydrophobicContact CD1-CE1 4.13Å; I32-Y99 HydrophobicContact CG2-CD1 4.47Å; I32-A102 HydrophobicContact CD1-CB 3.99Å; I32-A102 HydrophobicContact CG1-CB 3.95Å; I32-A102 HydrophobicContact CG2-CB 4.43Å
33	F	79.9	Confident	89.9	Confident	35 Å²	35	35 Å²	35	15%	0.154	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	12.7	179.5	-74.6	-94.9	0	0	0	113.8	W29 E31 Q35 L95 Y99	W29-F33 AromaticContact CD1-CD2 3.39Å; W29-F33 AromaticContact CD1-CE2 3.39Å; W29-F33 HydrophobicContact CD2-CD2 4.48Å; W29-F33 AromaticContact CE2-CD2 3.99Å; W29-F33 HydrophobicContact CG-CD2 4.13Å; W29-F33 HydrophobicContact CG-CE2 4.47Å; W29-F33 AromaticContact NE1-CD2 3.26Å; W29-F33 VanDerWaalsContact NE1-CD2 3.26Å; W29-F33 AromaticContact NE1-CE2 3.3Å; W29-F33 VanDerWaalsContact NE1-CE2 3.3Å; W29-F33 AromaticContact NE1-CG 3.95Å; W29-F33 WeakPolarHBondContact O-CD2 3.43Å; W29-F33 PolarHBondContact O-N 3.23Å; E31-F33 VanDerWaalsContact C-N 3.27Å; E31-F33 PolarHBondContact O-N 2.81Å; F33-Q35 HydrophobicContact CB-CG 4.43Å; F33-Q35 PolarHBondContact O-N 3.29Å; F33-L95 HydrophobicContact CE2-CD1 4.36Å; F33-L95 HydrophobicContact CZ-CD1 3.97Å; F33-Y99 HydrophobicContact CE2-CE1 4.14Å
34	C	82.5	Confident	89.8	Confident	94 Å²	94	38.4 Å²	38.4	64%	0.635	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	28.9	179.2	-60.9	0	0	0	0	114.4	L30 E31 I32	L30-C34 PolarHBondContact O-N 2.84Å; E31-C34 PolarHBondContact O-N 3.12Å; E31-C34 VanDerWaalsContact O-N 3.11Å; I32-C34 VanDerWaalsContact C-N 3.32Å; I32-C34 PolarHBondContact O-N 2.93Å
35	Q	87.3	Confident	89.7	Confident	5 Å²	5	38.4 Å²	38.4	2%	0.023	20%	0.197	C	C	.	.			trans	-100.6	28.3	177.2	-66.2	-62.5	-16.8	0	0	112	L30 F33 K37 W38 C80	L30-Q35 HydrophobicContact CB-CB 4.44Å; L30-Q35 HydrophobicContact CD2-CB 3.56Å; L30-Q35 CarbonylContact O-C 3.52Å; L30-Q35 WeakPolarHBondContact O-CA 3.23Å; L30-Q35 PolarHBondContact O-N 3.06Å; F33-Q35 HydrophobicContact CB-CG 4.43Å; F33-Q35 PolarHBondContact O-N 3.29Å; Q35-K37 PolarHBondContact O-N 3.3Å; Q35-K37 VanDerWaalsContact O-N 3.13Å; Q35-W38 WeakPolarHBondContact O-CB 3.49Å; Q35-W38 PolarHBondContact O-N 3.13Å; Q35-C80 HydrophobicContact CG-CB 4.48Å
36	T	87.3	Confident	89.7	Confident	78 Å²	78	41.8 Å²	41.8	48%	0.479	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-61	-25.1	-174.6	52.6	0	0	0	0	114	L30 E31 W38 K39	L30-T36 PolarHBondContact O-N 2.99Å; E31-T36 HydrophobicContact CB-CG2 4.26Å; E31-T36 HydrophobicContact CG-CG2 3.84Å; T36-W38 PolarHBondContact O-N 3Å; T36-K39 WeakPolarHBondContact O-CB 3.45Å; T36-K39 WeakPolarHBondContact O-CG 3.45Å; T36-K39 PolarHBondContact O-N 3.32Å
37	K	91.2	Very high	89.7	Confident	74 Å²	74	48.5 Å²	48.5	32%	0.322	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-55.6	-32.6	174.5	70.5	-179.9	-177.3	179.8	0	112.4	Q35 K39 Y69 E73 E76	Q35-K37 PolarHBondContact O-N 3.3Å; Q35-K37 VanDerWaalsContact O-N 3.13Å; K37-K39 VanDerWaalsContact C-N 3.29Å; K37-K39 PolarHBondContact O-N 3.46Å; K37-Y69 PolarHBondContact O-OH 2.72Å; K37-E73 IonicContact NZ-OE1 2.67Å; K37-E73 PolarHBondContact NZ-OE1 3.35Å; K37-E76 IonicContact NZ-OE2 2.71Å
38	W	93.3	Very high	89.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-80.2	-5.5	-178.3	-64.9	103.9	0	0	0	114.4	L30 Q35 T36 K40 I41 L42 L61 A64 Y69 E73 L74 L77	L30-W38 HydrophobicContact CD2-CB 4.29Å; Q35-W38 WeakPolarHBondContact O-CB 3.49Å; Q35-W38 PolarHBondContact O-N 3.13Å; T36-W38 PolarHBondContact O-N 3Å; W38-K40 VanDerWaalsContact C-N 3.33Å; W38-K40 PolarHBondContact O-N 3.43Å; W38-I41 HydrophobicContact CE3-CG2 3.57Å; W38-I41 HydrophobicContact CZ3-CG2 4.16Å; W38-I41 WeakPolarHBondContact O-CG2 3.21Å; W38-I41 PolarHBondContact O-N 3.29Å; W38-L42 HydrophobicContact CB-CD1 3.8Å; W38-L42 HydrophobicContact CB-CG 4.12Å; W38-L42 WeakPolarHBondContact O-CB 3.5Å; W38-L42 WeakPolarHBondContact O-CG 3.37Å; W38-L42 PolarHBondContact O-N 3.01Å; W38-L61 HydrophobicContact CZ3-CD2 4.39Å; W38-A64 HydrophobicContact CH2-CB 4.41Å; W38-A64 HydrophobicContact CZ3-CB 3.86Å; W38-Y69 HydrophobicContact CE3-CE1 4.39Å; W38-Y69 AromaticContact CH2-CD1 3.82Å; W38-Y69 HydrophobicContact CH2-CD1 3.82Å; W38-Y69 HydrophobicContact CH2-CE1 4.42Å; W38-Y69 HydrophobicContact CH2-CG 4.14Å; W38-Y69 HydrophobicContact CZ2-CD1 4.13Å; W38-Y69 HydrophobicContact CZ3-CD1 4.07Å; W38-Y69 HydrophobicContact CZ3-CE1 4.34Å; W38-Y69 HydrophobicContact CZ3-CG 4.26Å; W38-E73 HydrophobicContact CZ2-CB 3.98Å; W38-E73 VanDerWaalsContact CZ2-O 3.26Å; W38-E73 WeakPolarHBondContact CZ2-O 3.5Å; W38-L74 HydrophobicContact CH2-CD1 3.76Å; W38-L74 HydrophobicContact CH2-CG 3.96Å; W38-L77 HydrophobicContact CB-CD2 4.41Å; W38-L77 HydrophobicContact CD2-CB 4.27Å; W38-L77 HydrophobicContact CD2-CD1 4.43Å; W38-L77 HydrophobicContact CD2-CD2 3.38Å; W38-L77 HydrophobicContact CD2-CG 4.21Å; W38-L77 HydrophobicContact CE3-CD2 3.5Å; W38-L77 HydrophobicContact CG-CD1 4.07Å; W38-L77 HydrophobicContact CG-CD2 3.78Å; W38-L77 HydrophobicContact CG-CG 4.37Å; W38-L77 HydrophobicContact CH2-CD2 4.25Å; W38-L77 HydrophobicContact CZ2-CB 3.84Å; W38-L77 HydrophobicContact CZ2-CD2 4.14Å; W38-L77 HydrophobicContact CZ3-CD2 3.95Å
39	K	93.5	Very high	90	Very high	42 Å²	42	49.2 Å²	49.2	18%	0.183	25%	0.247	C	C	.	.	H	α-helix	trans	-58.7	-44.4	-178.3	-77	-173.5	172.7	-140.8	0	112.5	S27 L30 E31 T36 K37 I41 I43 D44	S27-K39 WeakPolarHBondContact O-CE 3.1Å; S27-K39 PolarHBondContact O-NZ 2.78Å; S27-K39 VanDerWaalsContact O-NZ 3.13Å; S27-K39 WeakPolarHBondContact OG-CE 3.2Å; S27-K39 PolarHBondContact OG-NZ 2.89Å; L30-K39 HydrophobicContact CB-CG 4.33Å; L30-K39 HydrophobicContact CD1-CG 3.88Å; E31-K39 VanDerWaalsContact CD-NZ 3.34Å; E31-K39 VanDerWaalsContact CG-CE 3.42Å; E31-K39 VanDerWaalsContact CG-NZ 3.31Å; E31-K39 IonicContact OE1-NZ 2.8Å; E31-K39 PolarHBondContact OE1-NZ 2.69Å; T36-K39 WeakPolarHBondContact O-CB 3.45Å; T36-K39 WeakPolarHBondContact O-CG 3.45Å; T36-K39 PolarHBondContact O-N 3.32Å; K37-K39 VanDerWaalsContact C-N 3.29Å; K37-K39 PolarHBondContact O-N 3.46Å; K39-I41 VanDerWaalsContact C-N 3.29Å; K39-I41 PolarHBondContact O-N 3.04Å; K39-I43 HydrophobicContact CB-CG1 4.33Å; K39-I43 HydrophobicContact CG-CG1 4.31Å; K39-I43 WeakPolarHBondContact O-CA 3.35Å; K39-I43 WeakPolarHBondContact O-CB 3.44Å; K39-I43 PolarHBondContact O-N 3.04Å; K39-D44 PolarHBondContact O-N 3.03Å
40	K	90.7	Very high	90.1	Very high	119 Å²	119	49.2 Å²	49.2	52%	0.517	25%	0.247	S	C	.	.	I	π-helix	trans	-53.8	-49	-179.1	-174.6	-174.8	172.8	-167.4	0	111.3	W38 D44 E45	W38-K40 VanDerWaalsContact C-N 3.33Å; W38-K40 PolarHBondContact O-N 3.43Å; K40-D44 WeakPolarHBondContact CA-OD2 3.32Å; K40-D44 VanDerWaalsContact O-CB 3.26Å; K40-D44 WeakPolarHBondContact O-CB 3.09Å; K40-D44 PolarHBondContact O-N 2.82Å; K40-E45 WeakPolarHBondContact CE-OE1 3.5Å; K40-E45 PolarHBondContact O-N 2.83Å
41	I	92	Very high	90.3	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.277	C	S	.	.	I	π-helix	trans	-80.3	-47.2	-177.4	-164.4	171.8	0	0	0	112.6	W38 K39 E45 L46 A64	W38-I41 HydrophobicContact CE3-CG2 3.57Å; W38-I41 HydrophobicContact CZ3-CG2 4.16Å; W38-I41 WeakPolarHBondContact O-CG2 3.21Å; W38-I41 PolarHBondContact O-N 3.29Å; K39-I41 VanDerWaalsContact C-N 3.29Å; K39-I41 PolarHBondContact O-N 3.04Å; I41-E45 WeakPolarHBondContact O-CB 3.27Å; I41-L46 HydrophobicContact CG1-CD1 4.2Å; I41-L46 HydrophobicContact CG1-CG 4.37Å; I41-L46 WeakPolarHBondContact O-CB 3.28Å; I41-L46 WeakPolarHBondContact O-CG 3.45Å; I41-L46 PolarHBondContact O-N 3.13Å; I41-A64 VanDerWaalsContact CD1-CA 3.47Å; I41-A64 HydrophobicContact CD1-CB 3.49Å; I41-A64 VanDerWaalsContact CD1-CB 3.49Å
42	L	93.9	Very high	90.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.277	C	S	.	.	I	π-helix	trans	-75.2	-35.6	-174	-61.6	-177.7	0	0	0	112.4	L30 W38 L46 K47 V48 F56 L61 L77	L30-L42 HydrophobicContact CD1-CB 4.36Å; L30-L42 HydrophobicContact CD1-CD1 4.17Å; L30-L42 HydrophobicContact CD2-CD1 4.08Å; W38-L42 HydrophobicContact CB-CD1 3.8Å; W38-L42 HydrophobicContact CB-CG 4.12Å; W38-L42 WeakPolarHBondContact O-CB 3.5Å; W38-L42 WeakPolarHBondContact O-CG 3.37Å; W38-L42 PolarHBondContact O-N 3.01Å; L42-L46 HydrophobicContact CD2-CD1 4.35Å; L42-K47 PolarHBondContact O-N 2.96Å; L42-K47 VanDerWaalsContact O-N 3.13Å; L42-V48 HydrophobicContact CB-CB 4.41Å; L42-V48 HydrophobicContact CB-CG2 4.18Å; L42-V48 HydrophobicContact CD2-CG2 4.11Å; L42-V48 VanDerWaalsContact O-CB 3.31Å; L42-V48 WeakPolarHBondContact O-CB 3.47Å; L42-V48 VanDerWaalsContact O-CG2 3.25Å; L42-V48 WeakPolarHBondContact O-CG2 3.3Å; L42-V48 PolarHBondContact O-N 3.38Å; L42-F56 HydrophobicContact CD2-CE1 4.5Å; L42-F56 HydrophobicContact CD2-CE2 4.07Å; L42-F56 HydrophobicContact CD2-CZ 3.81Å; L42-L61 HydrophobicContact CD2-CD2 3.95Å; L42-L77 HydrophobicContact CD1-CD1 4.42Å; L42-L77 HydrophobicContact CD1-CD2 3.98Å
43	I	95.1	Very high	91.4	Very high	18 Å²	18	54 Å²	54	9%	0.092	27%	0.268	C	S	.	.	I	π-helix	trans	-97.6	-52.3	-173.9	-53.1	-54.4	0	0	0	110.3	T23 I26 L30 K39 K47	T23-I43 HydrophobicContact CG2-CD1 4.13Å; T23-I43 HydrophobicContact CG2-CG2 3.99Å; I26-I43 HydrophobicContact CB-CD1 4.06Å; I26-I43 HydrophobicContact CG2-CD1 3.89Å; L30-I43 HydrophobicContact CD1-CD1 4.09Å; L30-I43 HydrophobicContact CD1-CG1 3.95Å; K39-I43 HydrophobicContact CB-CG1 4.33Å; K39-I43 HydrophobicContact CG-CG1 4.31Å; K39-I43 WeakPolarHBondContact O-CA 3.35Å; K39-I43 WeakPolarHBondContact O-CB 3.44Å; K39-I43 PolarHBondContact O-N 3.04Å; I43-K47 WeakPolarHBondContact O-CA 3.35Å; I43-K47 PolarHBondContact O-N 2.81Å
44	D	92.7	Very high	91.8	Very high	109 Å²	109	54.8 Å²	54.8	58%	0.583	27%	0.274	S	S	*	.	I	π-helix	trans	-80.5	-43.7	-171.3	-49.2	-29.2	0	0	0	111.6	K39 K40	K39-D44 PolarHBondContact O-N 3.03Å; K40-D44 WeakPolarHBondContact CA-OD2 3.32Å; K40-D44 VanDerWaalsContact O-CB 3.26Å; K40-D44 WeakPolarHBondContact O-CB 3.09Å; K40-D44 PolarHBondContact O-N 2.82Å
45	E	90.7	Very high	92.2	Very high	85 Å²	85	53.6 Å²	53.6	40%	0.397	27%	0.267	S	S	.	.	I	π-helix	trans	-85.7	-55.4	-177.7	-64.4	174.8	-156.1	0	0	112.6	K40 I41	K40-E45 WeakPolarHBondContact CE-OE1 3.5Å; K40-E45 PolarHBondContact O-N 2.83Å; I41-E45 WeakPolarHBondContact O-CB 3.27Å
46	L	91.3	Very high	92.2	Very high	71 Å²	71	53.9 Å²	53.9	37%	0.372	27%	0.268	S	S	.	.	S	Bend	trans	-90.4	-16	-173	-63.8	179.5	0	0	0	114	I41 L42 V48 F56	I41-L46 HydrophobicContact CG1-CD1 4.2Å; I41-L46 HydrophobicContact CG1-CG 4.37Å; I41-L46 WeakPolarHBondContact O-CB 3.28Å; I41-L46 WeakPolarHBondContact O-CG 3.45Å; I41-L46 PolarHBondContact O-N 3.13Å; L42-L46 HydrophobicContact CD2-CD1 4.35Å; L46-V48 HydrophobicContact CB-CG2 3.71Å; L46-V48 HydrophobicContact CD1-CG2 4.49Å; L46-V48 PolarHBondContact O-N 3.37Å; L46-F56 HydrophobicContact CD1-CE2 4.49Å; L46-F56 HydrophobicContact CD1-CZ 3.88Å
47	K	94.4	Very high	92.3	Very high	141 Å²	141	58.4 Å²	58.4	61%	0.613	28%	0.276	S	S	*	.			trans	52.5	35.3	-179.7	-57.5	-176.7	-179.7	-178.9	0	114.5	T23 L42 I43 N49	T23-K47 HydrophobicContact CG2-CB 4.45Å; T23-K47 PolarHBondContact OG1-O 2.89Å; L42-K47 PolarHBondContact O-N 2.96Å; L42-K47 VanDerWaalsContact O-N 3.13Å; I43-K47 WeakPolarHBondContact O-CA 3.35Å; I43-K47 PolarHBondContact O-N 2.81Å; K47-N49 PolarHBondContact O-N 3.06Å
48	V	94.6	Very high	91.9	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.018	28%	0.275	C	S	.	.			trans	-53.7	120	-175.6	177.3	0	0	0	0	110.9	T23 L42 L46 D52 L53 F56	T23-V48 WeakPolarHBondContact CA-O 3.46Å; L42-V48 HydrophobicContact CB-CB 4.41Å; L42-V48 HydrophobicContact CB-CG2 4.18Å; L42-V48 HydrophobicContact CD2-CG2 4.11Å; L42-V48 VanDerWaalsContact O-CB 3.31Å; L42-V48 WeakPolarHBondContact O-CB 3.47Å; L42-V48 VanDerWaalsContact O-CG2 3.25Å; L42-V48 WeakPolarHBondContact O-CG2 3.3Å; L42-V48 PolarHBondContact O-N 3.38Å; L46-V48 HydrophobicContact CB-CG2 3.71Å; L46-V48 HydrophobicContact CD1-CG2 4.49Å; L46-V48 PolarHBondContact O-N 3.37Å; V48-D52 HydrophobicContact CB-CB 4.45Å; V48-D52 HydrophobicContact CG1-CB 3.84Å; V48-L53 HydrophobicContact CG1-CB 3.92Å; V48-L53 HydrophobicContact CG1-CD1 4.3Å; V48-F56 HydrophobicContact CG1-CD2 4.27Å; V48-F56 HydrophobicContact CG1-CE2 4.23Å; V48-F56 HydrophobicContact CG2-CD2 4.41Å; V48-F56 HydrophobicContact CG2-CE2 3.58Å; V48-F56 HydrophobicContact CG2-CZ 4.42Å
49	N	94.9	Very high	91.5	Very high	55 Å²	55	63.9 Å²	63.9	29%	0.294	30%	0.302	S	S	.	.			trans	-96.2	-177.3	168	67.4	51.4	0	0	0	110.8	K47 K51 D52 L53	K47-N49 PolarHBondContact O-N 3.06Å; N49-K51 PolarHBondContact O-N 2.83Å; N49-K51 WeakPolarHBondContact OD1-CA 3.42Å; N49-K51 VanDerWaalsContact OD1-CB 3.3Å; N49-K51 WeakPolarHBondContact OD1-CB 3.2Å; N49-K51 PolarHBondContact OD1-N 3.34Å; N49-D52 PolarHBondContact N-OD2 2.7Å; N49-D52 PolarHBondContact ND2-OD2 3.31Å; N49-D52 PolarHBondContact O-N 3.47Å; N49-D52 PolarHBondContact OD1-N 3.3Å; N49-D52 VanDerWaalsContact OD1-N 3.1Å; N49-D52 PolarHBondContact OD1-OD2 3.31Å; N49-L53 WeakPolarHBondContact O-CB 3.4Å; N49-L53 PolarHBondContact O-N 2.85Å
50	G	92.6	Very high	91.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-55	-44.3	178.4	0	0	0	0	0	115.7	A18 Y21 L53 L54	A18-G50 CarbonylContact O-C 3.57Å; A18-G50 WeakPolarHBondContact O-CA 3.3Å; Y21-G50 PolarHBondContact O-N 3.23Å; G50-L53 PolarHBondContact O-N 3.2Å; G50-L54 VanDerWaalsContact O-CG 3.28Å; G50-L54 WeakPolarHBondContact O-CG 3.49Å; G50-L54 PolarHBondContact O-N 3.29Å; G50-L54 VanDerWaalsContact O-N 3.07Å
51	K	93.5	Very high	90.8	Very high	147 Å²	147	60 Å²	60	64%	0.639	29%	0.289	S	S	*	.	H	α-helix	trans	-63.1	-46.6	177.3	-175.2	-177.2	177	-175.4	0	110.4	M19 N49 L53 L54 S55	M19-K51 PolarHBondContact O-N 2.87Å; N49-K51 PolarHBondContact O-N 2.83Å; N49-K51 WeakPolarHBondContact OD1-CA 3.42Å; N49-K51 VanDerWaalsContact OD1-CB 3.3Å; N49-K51 WeakPolarHBondContact OD1-CB 3.2Å; N49-K51 PolarHBondContact OD1-N 3.34Å; K51-L53 PolarHBondContact O-N 3.48Å; K51-L54 PolarHBondContact O-N 3.42Å; K51-S55 PolarHBondContact O-N 3.28Å; K51-S55 PolarHBondContact O-OG 2.69Å; K51-S55 VanDerWaalsContact O-OG 3.05Å
52	D	94.3	Very high	90.4	Very high	57 Å²	57	63.6 Å²	63.6	31%	0.305	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-46.2	180	-53.5	-34.9	0	0	0	110.7	V48 N49 L54 S55 F56	V48-D52 HydrophobicContact CB-CB 4.45Å; V48-D52 HydrophobicContact CG1-CB 3.84Å; N49-D52 PolarHBondContact N-OD2 2.7Å; N49-D52 PolarHBondContact ND2-OD2 3.31Å; N49-D52 PolarHBondContact O-N 3.47Å; N49-D52 PolarHBondContact OD1-N 3.3Å; N49-D52 VanDerWaalsContact OD1-N 3.1Å; N49-D52 PolarHBondContact OD1-OD2 3.31Å; D52-L54 VanDerWaalsContact C-N 3.3Å; D52-L54 PolarHBondContact O-N 2.79Å; D52-S55 CarbonylContact O-C 3.6Å; D52-S55 PolarHBondContact O-N 2.94Å; D52-S55 VanDerWaalsContact O-N 3.09Å; D52-S55 PolarHBondContact O-OG 3.35Å; D52-S55 VanDerWaalsContact O-OG 3.06Å; D52-F56 PolarHBondContact O-N 2.98Å
53	L	93.1	Very high	89.9	Confident	1 Å²	1	67 Å²	67	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-59.2	-40.2	177.9	-171.3	72.1	0	0	0	112	I26 W29 V48 N49 G50 K51 S55 F56 I81 F84 R85	I26-L53 HydrophobicContact CD1-CD2 3.83Å; I26-L53 HydrophobicContact CG2-CD2 4.36Å; W29-L53 HydrophobicContact CD2-CD2 4.23Å; W29-L53 HydrophobicContact CE3-CD2 3.87Å; W29-L53 HydrophobicContact CH2-CD1 4.26Å; W29-L53 HydrophobicContact CH2-CD2 4.18Å; W29-L53 HydrophobicContact CZ2-CD2 4.49Å; W29-L53 HydrophobicContact CZ3-CD1 3.87Å; W29-L53 HydrophobicContact CZ3-CD2 3.84Å; V48-L53 HydrophobicContact CG1-CB 3.92Å; V48-L53 HydrophobicContact CG1-CD1 4.3Å; N49-L53 WeakPolarHBondContact O-CB 3.4Å; N49-L53 PolarHBondContact O-N 2.85Å; G50-L53 PolarHBondContact O-N 3.2Å; K51-L53 PolarHBondContact O-N 3.48Å; L53-S55 VanDerWaalsContact C-N 3.33Å; L53-F56 WeakPolarHBondContact O-CB 3.27Å; L53-I81 HydrophobicContact CD1-CD1 3.82Å; L53-I81 HydrophobicContact CD1-CG1 3.94Å; L53-F84 HydrophobicContact CD2-CD1 4.21Å; L53-F84 HydrophobicContact CD2-CE1 4.02Å; L53-R85 PolarHBondContact O-NH2 3.43Å
54	L	89.2	Confident	89.4	Confident	51 Å²	51	66.1 Å²	66.1	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-73.9	-23	178.3	-67.4	179.4	0	0	0	113.2	A18 M19 G50 K51 D52 F84 R85	A18-L54 HydrophobicContact CB-CD1 4.35Å; M19-L54 HydrophobicContact CB-CD1 3.9Å; G50-L54 VanDerWaalsContact O-CG 3.28Å; G50-L54 WeakPolarHBondContact O-CG 3.49Å; G50-L54 PolarHBondContact O-N 3.29Å; G50-L54 VanDerWaalsContact O-N 3.07Å; K51-L54 PolarHBondContact O-N 3.42Å; D52-L54 VanDerWaalsContact C-N 3.3Å; D52-L54 PolarHBondContact O-N 2.79Å; L54-F84 HydrophobicContact CD2-CD1 4.29Å; L54-F84 HydrophobicContact CD2-CE1 3.95Å; L54-R85 VanDerWaalsContact C-NH2 3.34Å; L54-R85 HydrophobicContact CD2-CG 3.82Å; L54-R85 PolarHBondContact O-NE 3.37Å; L54-R85 VanDerWaalsContact O-NE 3.09Å; L54-R85 PolarHBondContact O-NH2 3.33Å; L54-R85 VanDerWaalsContact O-NH2 3.1Å
55	S	90.6	Very high	89.1	Confident	69 Å²	69	64.3 Å²	64.3	48%	0.483	32%	0.317	S	S	.	.	H	α-helix	trans	-96	-10	174.7	56	0	0	0	0	114.9	K51 D52 L53 R57	K51-S55 PolarHBondContact O-N 3.28Å; K51-S55 PolarHBondContact O-OG 2.69Å; K51-S55 VanDerWaalsContact O-OG 3.05Å; D52-S55 CarbonylContact O-C 3.6Å; D52-S55 PolarHBondContact O-N 2.94Å; D52-S55 VanDerWaalsContact O-N 3.09Å; D52-S55 PolarHBondContact O-OG 3.35Å; D52-S55 VanDerWaalsContact O-OG 3.06Å; L53-S55 VanDerWaalsContact C-N 3.33Å; S55-R57 WeakPolarHBondContact O-CG 3.07Å; S55-R57 PolarHBondContact O-N 2.83Å
56	F	87.9	Confident	88.8	Confident	11 Å²	11	65.7 Å²	65.7	5%	0.048	34%	0.336	C	S	.	.			trans	-49.7	133	-175.5	-131.5	-81.6	0	0	0	112.8	L42 L46 V48 D52 L53 D60 L61 M78 I81 R85	L42-F56 HydrophobicContact CD2-CE1 4.5Å; L42-F56 HydrophobicContact CD2-CE2 4.07Å; L42-F56 HydrophobicContact CD2-CZ 3.81Å; L46-F56 HydrophobicContact CD1-CE2 4.49Å; L46-F56 HydrophobicContact CD1-CZ 3.88Å; V48-F56 HydrophobicContact CG1-CD2 4.27Å; V48-F56 HydrophobicContact CG1-CE2 4.23Å; V48-F56 HydrophobicContact CG2-CD2 4.41Å; V48-F56 HydrophobicContact CG2-CE2 3.58Å; V48-F56 HydrophobicContact CG2-CZ 4.42Å; D52-F56 PolarHBondContact O-N 2.98Å; L53-F56 WeakPolarHBondContact O-CB 3.27Å; F56-D60 HydrophobicContact CD1-CB 3.84Å; F56-D60 HydrophobicContact CE1-CB 3.4Å; F56-D60 HydrophobicContact CZ-CB 3.86Å; F56-L61 HydrophobicContact CD1-CD2 4.2Å; F56-L61 HydrophobicContact CD1-CG 4.09Å; F56-L61 HydrophobicContact CE1-CD1 4.45Å; F56-L61 HydrophobicContact CE1-CD2 3.28Å; F56-L61 HydrophobicContact CE1-CG 3.47Å; F56-L61 VanDerWaalsContact CE1-CG 3.47Å; F56-L61 HydrophobicContact CZ-CD2 3.77Å; F56-L61 HydrophobicContact CZ-CG 4.41Å; F56-M78 HydrophobicContact CD1-SD 4.41Å; F56-I81 HydrophobicContact CB-CD1 4.49Å; F56-R85 PolarHBondContact O-NH1 3.36Å; F56-R85 PolarHBondContact O-NH2 3.14Å
57	R	88	Confident	88.5	Confident	172 Å²	172	65.9 Å²	65.9	65%	0.649	34%	0.337	S	S	*	.			trans	-118.7	164.5	173.2	-48.5	-174.4	175.7	-167.4	-1.1	110.1	S55 E59 D60	S55-R57 WeakPolarHBondContact O-CG 3.07Å; S55-R57 PolarHBondContact O-N 2.83Å; R57-E59 WeakPolarHBondContact CB-OE2 3.28Å; R57-E59 PolarHBondContact O-N 3.15Å; R57-D60 PolarHBondContact N-OD2 2.9Å; R57-D60 WeakPolarHBondContact O-CB 3.45Å; R57-D60 PolarHBondContact O-N 3.37Å; R57-D60 VanDerWaalsContact O-N 3.15Å
58	K	83.2	Confident	88.2	Confident	68 Å²	68	62.2 Å²	62.2	30%	0.296	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-63.3	-31.2	-178	-172.2	173.6	-180	172.1	0	110.9	D60 L61 D75 M78	K58-D60 VanDerWaalsContact C-N 3.26Å; K58-D60 PolarHBondContact O-N 3.07Å; K58-L61 PolarHBondContact O-N 2.83Å; K58-L61 VanDerWaalsContact O-N 3.14Å; K58-D75 VanDerWaalsContact CE-OD1 3.27Å; K58-D75 WeakPolarHBondContact CE-OD1 3.43Å; K58-D75 IonicContact NZ-OD1 2.69Å; K58-D75 PolarHBondContact NZ-OD1 3.29Å; K58-D75 IonicContact NZ-OD2 2.8Å; K58-D75 PolarHBondContact NZ-OD2 3.02Å; K58-M78 HydrophobicContact CB-CG 4.38Å
59	E	86	Confident	88	Confident	122 Å²	122	64.2 Å²	64.2	57%	0.57	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-64.4	-31.9	179.1	-58.6	73	-153.6	0	0	112.1	R57 L61 T62	R57-E59 WeakPolarHBondContact CB-OE2 3.28Å; R57-E59 PolarHBondContact O-N 3.15Å; E59-L61 PolarHBondContact O-N 2.85Å; E59-T62 WeakPolarHBondContact O-CB 3.42Å; E59-T62 VanDerWaalsContact O-CG2 3.27Å; E59-T62 WeakPolarHBondContact O-CG2 3.09Å; E59-T62 PolarHBondContact O-N 3.01Å; E59-T62 VanDerWaalsContact O-N 3.15Å; E59-T62 PolarHBondContact O-OG1 2.86Å
60	D	85.9	Confident	87.7	Confident	79 Å²	79	68.1 Å²	68.1	42%	0.422	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-68.5	-18	178	-56.2	-41.8	0	0	0	112	F56 R57 K58	F56-D60 HydrophobicContact CD1-CB 3.84Å; F56-D60 HydrophobicContact CE1-CB 3.4Å; F56-D60 HydrophobicContact CZ-CB 3.86Å; R57-D60 PolarHBondContact N-OD2 2.9Å; R57-D60 WeakPolarHBondContact O-CB 3.45Å; R57-D60 PolarHBondContact O-N 3.37Å; R57-D60 VanDerWaalsContact O-N 3.15Å; K58-D60 VanDerWaalsContact C-N 3.26Å; K58-D60 PolarHBondContact O-N 3.07Å
61	L	83.4	Confident	87.4	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-93	3	175.7	-65.5	179.2	0	0	0	113.6	W38 L42 F56 K58 E59 V63 A64 L74 L77 M78	W38-L61 HydrophobicContact CZ3-CD2 4.39Å; L42-L61 HydrophobicContact CD2-CD2 3.95Å; F56-L61 HydrophobicContact CD1-CD2 4.2Å; F56-L61 HydrophobicContact CD1-CG 4.09Å; F56-L61 HydrophobicContact CE1-CD1 4.45Å; F56-L61 HydrophobicContact CE1-CD2 3.28Å; F56-L61 HydrophobicContact CE1-CG 3.47Å; F56-L61 VanDerWaalsContact CE1-CG 3.47Å; F56-L61 HydrophobicContact CZ-CD2 3.77Å; F56-L61 HydrophobicContact CZ-CG 4.41Å; K58-L61 PolarHBondContact O-N 2.83Å; K58-L61 VanDerWaalsContact O-N 3.14Å; E59-L61 PolarHBondContact O-N 2.85Å; L61-V63 PolarHBondContact O-N 3.35Å; L61-V63 VanDerWaalsContact O-N 3.13Å; L61-A64 WeakPolarHBondContact O-CA 3.44Å; L61-A64 WeakPolarHBondContact O-CB 3.18Å; L61-A64 PolarHBondContact O-N 2.95Å; L61-L74 HydrophobicContact CB-CD2 3.58Å; L61-L74 HydrophobicContact CB-CG 3.96Å; L61-L74 HydrophobicContact CD1-CB 4.31Å; L61-L74 HydrophobicContact CD1-CD2 4.49Å; L61-L74 HydrophobicContact CD1-CG 4.08Å; L61-L77 HydrophobicContact CD1-CD2 3.7Å; L61-L77 HydrophobicContact CD1-CG 4.4Å; L61-L77 HydrophobicContact CD2-CD2 4.06Å; L61-M78 HydrophobicContact CD1-CG 4.06Å; L61-M78 HydrophobicContact CD1-SD 3.99Å
62	T	82.6	Confident	87	Confident	77 Å²	77	70.1 Å²	70.1	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-58	-31.5	-178.1	46	0	0	0	0	112.9	E59 A64 L65	E59-T62 WeakPolarHBondContact O-CB 3.42Å; E59-T62 VanDerWaalsContact O-CG2 3.27Å; E59-T62 WeakPolarHBondContact O-CG2 3.09Å; E59-T62 PolarHBondContact O-N 3.01Å; E59-T62 VanDerWaalsContact O-N 3.15Å; E59-T62 PolarHBondContact O-OG1 2.86Å; T62-A64 PolarHBondContact O-N 3.34Å; T62-L65 WeakPolarHBondContact O-CB 3.19Å; T62-L65 PolarHBondContact O-N 3.15Å; T62-L65 VanDerWaalsContact O-N 3.1Å
63	V	83.9	Confident	86.7	Confident	71 Å²	71	69.7 Å²	69.7	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-27.3	172.9	178.6	0	0	0	0	112.4	L61 L65 S66 N67	L61-V63 PolarHBondContact O-N 3.35Å; L61-V63 VanDerWaalsContact O-N 3.13Å; V63-L65 VanDerWaalsContact C-N 3.32Å; V63-L65 PolarHBondContact O-N 3.42Å; V63-S66 PolarHBondContact O-N 2.77Å; V63-N67 PolarHBondContact O-N 2.98Å; V63-N67 PolarHBondContact O-ND2 3.24Å; V63-N67 VanDerWaalsContact O-ND2 3.15Å
64	A	85.4	Confident	86.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-65	-35.9	175.4	0	0	0	0	0	112.1	W38 I41 L61 T62 S66 N67 G68 Y69 L74	W38-A64 HydrophobicContact CH2-CB 4.41Å; W38-A64 HydrophobicContact CZ3-CB 3.86Å; I41-A64 VanDerWaalsContact CD1-CA 3.47Å; I41-A64 HydrophobicContact CD1-CB 3.49Å; I41-A64 VanDerWaalsContact CD1-CB 3.49Å; L61-A64 WeakPolarHBondContact O-CA 3.44Å; L61-A64 WeakPolarHBondContact O-CB 3.18Å; L61-A64 PolarHBondContact O-N 2.95Å; T62-A64 PolarHBondContact O-N 3.34Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 3.34Å; A64-N67 CarbonylContact O-C 3.53Å; A64-N67 WeakPolarHBondContact O-CA 3.36Å; A64-N67 WeakPolarHBondContact O-CB 3.44Å; A64-N67 PolarHBondContact O-N 2.81Å; A64-G68 PolarHBondContact O-N 3.1Å; A64-Y69 HydrophobicContact CB-CD2 3.96Å; A64-Y69 HydrophobicContact CB-CG 4.2Å; A64-Y69 WeakPolarHBondContact O-CB 3.4Å; A64-Y69 VanDerWaalsContact O-CD2 3.31Å; A64-Y69 WeakPolarHBondContact O-CD2 2.75Å; A64-Y69 PolarHBondContact O-N 2.99Å; A64-L74 HydrophobicContact CB-CD1 4.13Å
65	L	86.3	Confident	86.3	Confident	71 Å²	71	70 Å²	70	37%	0.372	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-41.7	179.8	-60.9	175.5	0	0	0	110.9	T62 V63 N67 G68 Y69 V71 L74	T62-L65 WeakPolarHBondContact O-CB 3.19Å; T62-L65 PolarHBondContact O-N 3.15Å; T62-L65 VanDerWaalsContact O-N 3.1Å; V63-L65 VanDerWaalsContact C-N 3.32Å; V63-L65 PolarHBondContact O-N 3.42Å; L65-N67 PolarHBondContact O-N 2.94Å; L65-G68 PolarHBondContact O-N 2.71Å; L65-G68 VanDerWaalsContact O-N 3.13Å; L65-Y69 WeakPolarHBondContact CD2-O 3.31Å; L65-V71 HydrophobicContact CD2-CG2 3.84Å; L65-L74 HydrophobicContact CD1-CD2 4.47Å; L65-L74 HydrophobicContact CD2-CD1 3.68Å; L65-L74 HydrophobicContact CD2-CD2 3.88Å; L65-L74 HydrophobicContact CD2-CG 4.46Å; L65-L74 HydrophobicContact CG-CD1 4.42Å; L65-L74 HydrophobicContact CG-CD2 3.98Å
66	S	84.5	Confident	86	Confident	113 Å²	113	70.4 Å²	70.4	79%	0.79	37%	0.37	S	S	*	.	H	α-helix	trans	-65.3	-19.5	174.6	-56	0	0	0	0	113.4	V63 A64	V63-S66 PolarHBondContact O-N 2.77Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 3.34Å
67	N	84.7	Confident	86.1	Confident	75 Å²	75	69.9 Å²	69.9	40%	0.401	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	10.7	176.8	-80.9	-57.2	0	0	0	113.4	V63 A64 L65 Y69	V63-N67 PolarHBondContact O-N 2.98Å; V63-N67 PolarHBondContact O-ND2 3.24Å; V63-N67 VanDerWaalsContact O-ND2 3.15Å; A64-N67 CarbonylContact O-C 3.53Å; A64-N67 WeakPolarHBondContact O-CA 3.36Å; A64-N67 WeakPolarHBondContact O-CB 3.44Å; A64-N67 PolarHBondContact O-N 2.81Å; L65-N67 PolarHBondContact O-N 2.94Å; N67-Y69 HydrophobicContact CB-CD2 4.15Å; N67-Y69 HydrophobicContact CB-CE2 4.27Å
68	G	88.5	Confident	86.2	Confident	65 Å²	65	61.9 Å²	61.9	67%	0.67	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	6.2	173.8	0	0	0	0	0	115.4	A64 L65	A64-G68 PolarHBondContact O-N 3.1Å; L65-G68 PolarHBondContact O-N 2.71Å; L65-G68 VanDerWaalsContact O-N 3.13Å
69	Y	89.7	Confident	86.2	Confident	44 Å²	44	61.4 Å²	61.4	17%	0.173	34%	0.338	C	S	.	.			trans	-74.3	146.5	170	-66.5	-92.8	0	0	0	110.5	K37 W38 A64 L65 N67 E73	K37-Y69 PolarHBondContact O-OH 2.72Å; W38-Y69 HydrophobicContact CE3-CE1 4.39Å; W38-Y69 AromaticContact CH2-CD1 3.82Å; W38-Y69 HydrophobicContact CH2-CD1 3.82Å; W38-Y69 HydrophobicContact CH2-CE1 4.42Å; W38-Y69 HydrophobicContact CH2-CG 4.14Å; W38-Y69 HydrophobicContact CZ2-CD1 4.13Å; W38-Y69 HydrophobicContact CZ3-CD1 4.07Å; W38-Y69 HydrophobicContact CZ3-CE1 4.34Å; W38-Y69 HydrophobicContact CZ3-CG 4.26Å; A64-Y69 HydrophobicContact CB-CD2 3.96Å; A64-Y69 HydrophobicContact CB-CG 4.2Å; A64-Y69 WeakPolarHBondContact O-CB 3.4Å; A64-Y69 VanDerWaalsContact O-CD2 3.31Å; A64-Y69 WeakPolarHBondContact O-CD2 2.75Å; A64-Y69 PolarHBondContact O-N 2.99Å; L65-Y69 WeakPolarHBondContact CD2-O 3.31Å; N67-Y69 HydrophobicContact CB-CD2 4.15Å; N67-Y69 HydrophobicContact CB-CE2 4.27Å; Y69-E73 WeakPolarHBondContact CA-OE2 3.32Å
70	K	89.4	Confident	86.2	Confident	137 Å²	137	56.6 Å²	56.6	60%	0.596	32%	0.318	S	S	*	.			trans	-90.6	155.1	178.3	-53.1	-179.1	179.4	177.5	0	111.9	E72 E73 L74	K70-E72 VanDerWaalsContact CB-OE2 3.26Å; K70-E72 WeakPolarHBondContact CB-OE2 3.26Å; K70-E72 PolarHBondContact O-N 3.15Å; K70-E73 HydrophobicContact CB-CG 4.2Å; K70-E73 PolarHBondContact N-OE2 2.88Å; K70-E73 WeakPolarHBondContact O-CB 3.18Å; K70-E73 PolarHBondContact O-N 2.98Å; K70-L74 WeakPolarHBondContact O-CD1 3.26Å; K70-L74 PolarHBondContact O-N 3.41Å; K70-L74 VanDerWaalsContact O-N 3.17Å
71	V	86	Confident	86.4	Confident	67 Å²	67	52.9 Å²	52.9	41%	0.406	30%	0.298	S	S	.	.	H	α-helix	trans	-57.2	-37.6	178.8	178.5	0	0	0	0	111.4	L65 E73 L74 D75	L65-V71 HydrophobicContact CD2-CG2 3.84Å; V71-E73 VanDerWaalsContact C-N 3.3Å; V71-E73 PolarHBondContact O-N 3.34Å; V71-L74 WeakPolarHBondContact O-CB 3.25Å; V71-L74 PolarHBondContact O-N 2.66Å; V71-D75 PolarHBondContact O-N 3.45Å
72	E	85.4	Confident	86.6	Confident	123 Å²	123	58 Å²	58	58%	0.575	32%	0.317	S	S	*	.	H	α-helix	trans	-64.4	-36.5	178.1	-57.7	75	-159.5	0	0	111.6	K70 D75 E76	K70-E72 VanDerWaalsContact CB-OE2 3.26Å; K70-E72 WeakPolarHBondContact CB-OE2 3.26Å; K70-E72 PolarHBondContact O-N 3.15Å; E72-D75 PolarHBondContact O-N 2.81Å; E72-E76 WeakPolarHBondContact O-CG 3.45Å; E72-E76 PolarHBondContact O-N 2.91Å
73	E	86.1	Confident	86.6	Confident	47 Å²	47	57.1 Å²	57.1	22%	0.22	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-38.4	176.6	-59.1	-175.8	96.9	0	0	111.3	K37 W38 Y69 K70 V71 D75 E76 L77	K37-E73 IonicContact NZ-OE1 2.67Å; K37-E73 PolarHBondContact NZ-OE1 3.35Å; W38-E73 HydrophobicContact CZ2-CB 3.98Å; W38-E73 VanDerWaalsContact CZ2-O 3.26Å; W38-E73 WeakPolarHBondContact CZ2-O 3.5Å; Y69-E73 WeakPolarHBondContact CA-OE2 3.32Å; K70-E73 HydrophobicContact CB-CG 4.2Å; K70-E73 PolarHBondContact N-OE2 2.88Å; K70-E73 WeakPolarHBondContact O-CB 3.18Å; K70-E73 PolarHBondContact O-N 2.98Å; V71-E73 VanDerWaalsContact C-N 3.3Å; V71-E73 PolarHBondContact O-N 3.34Å; E73-D75 VanDerWaalsContact C-N 3.28Å; E73-D75 PolarHBondContact O-N 2.9Å; E73-E76 WeakPolarHBondContact O-CB 3.45Å; E73-E76 PolarHBondContact O-N 3.37Å; E73-L77 PolarHBondContact O-N 3.13Å
74	L	88.9	Confident	86.7	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-41.7	173.8	-83.3	72.8	0	0	0	110.3	W38 L61 A64 L65 K70 V71 L77 M78	W38-L74 HydrophobicContact CH2-CD1 3.76Å; W38-L74 HydrophobicContact CH2-CG 3.96Å; L61-L74 HydrophobicContact CB-CD2 3.58Å; L61-L74 HydrophobicContact CB-CG 3.96Å; L61-L74 HydrophobicContact CD1-CB 4.31Å; L61-L74 HydrophobicContact CD1-CD2 4.49Å; L61-L74 HydrophobicContact CD1-CG 4.08Å; A64-L74 HydrophobicContact CB-CD1 4.13Å; L65-L74 HydrophobicContact CD1-CD2 4.47Å; L65-L74 HydrophobicContact CD2-CD1 3.68Å; L65-L74 HydrophobicContact CD2-CD2 3.88Å; L65-L74 HydrophobicContact CD2-CG 4.46Å; L65-L74 HydrophobicContact CG-CD1 4.42Å; L65-L74 HydrophobicContact CG-CD2 3.98Å; K70-L74 WeakPolarHBondContact O-CD1 3.26Å; K70-L74 PolarHBondContact O-N 3.41Å; K70-L74 VanDerWaalsContact O-N 3.17Å; V71-L74 WeakPolarHBondContact O-CB 3.25Å; V71-L74 PolarHBondContact O-N 2.66Å; L74-L77 PolarHBondContact O-N 3.44Å; L74-M78 WeakPolarHBondContact O-CB 3.39Å; L74-M78 VanDerWaalsContact O-CG 3.32Å; L74-M78 WeakPolarHBondContact O-CG 3.25Å; L74-M78 PolarHBondContact O-N 2.84Å
75	D	85.5	Confident	86.8	Confident	55 Å²	55	56.7 Å²	56.7	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-43.7	176.9	-75.9	-40	0	0	0	111.6	K58 V71 E72 E73 L77 M78 D79	K58-D75 VanDerWaalsContact CE-OD1 3.27Å; K58-D75 WeakPolarHBondContact CE-OD1 3.43Å; K58-D75 IonicContact NZ-OD1 2.69Å; K58-D75 PolarHBondContact NZ-OD1 3.29Å; K58-D75 IonicContact NZ-OD2 2.8Å; K58-D75 PolarHBondContact NZ-OD2 3.02Å; V71-D75 PolarHBondContact O-N 3.45Å; E72-D75 PolarHBondContact O-N 2.81Å; E73-D75 VanDerWaalsContact C-N 3.28Å; E73-D75 PolarHBondContact O-N 2.9Å; D75-L77 VanDerWaalsContact C-N 3.35Å; D75-L77 PolarHBondContact O-N 2.67Å; D75-M78 PolarHBondContact O-N 3.24Å; D75-D79 WeakPolarHBondContact O-CB 3.42Å; D75-D79 PolarHBondContact O-N 3.42Å
76	E	85	Confident	86.4	Confident	79 Å²	79	58.5 Å²	58.5	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-57.3	-44.1	173	-72	175.2	177.7	0	0	112.5	K37 E72 E73 D79 C80	K37-E76 IonicContact NZ-OE2 2.71Å; E72-E76 WeakPolarHBondContact O-CG 3.45Å; E72-E76 PolarHBondContact O-N 2.91Å; E73-E76 WeakPolarHBondContact O-CB 3.45Å; E73-E76 PolarHBondContact O-N 3.37Å; E76-D79 PolarHBondContact O-N 3.22Å; E76-C80 WeakPolarHBondContact O-CB 3.33Å; E76-C80 PolarHBondContact O-N 3.46Å
77	L	89.3	Confident	86	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-45.7	177	176.4	61.8	0	0	0	111.1	W38 L42 L61 E73 L74 D75 D79 C80 I81	W38-L77 HydrophobicContact CB-CD2 4.41Å; W38-L77 HydrophobicContact CD2-CB 4.27Å; W38-L77 HydrophobicContact CD2-CD1 4.43Å; W38-L77 HydrophobicContact CD2-CD2 3.38Å; W38-L77 HydrophobicContact CD2-CG 4.21Å; W38-L77 HydrophobicContact CE3-CD2 3.5Å; W38-L77 HydrophobicContact CG-CD1 4.07Å; W38-L77 HydrophobicContact CG-CD2 3.78Å; W38-L77 HydrophobicContact CG-CG 4.37Å; W38-L77 HydrophobicContact CH2-CD2 4.25Å; W38-L77 HydrophobicContact CZ2-CB 3.84Å; W38-L77 HydrophobicContact CZ2-CD2 4.14Å; W38-L77 HydrophobicContact CZ3-CD2 3.95Å; L42-L77 HydrophobicContact CD1-CD1 4.42Å; L42-L77 HydrophobicContact CD1-CD2 3.98Å; L61-L77 HydrophobicContact CD1-CD2 3.7Å; L61-L77 HydrophobicContact CD1-CG 4.4Å; L61-L77 HydrophobicContact CD2-CD2 4.06Å; E73-L77 PolarHBondContact O-N 3.13Å; L74-L77 PolarHBondContact O-N 3.44Å; D75-L77 VanDerWaalsContact C-N 3.35Å; D75-L77 PolarHBondContact O-N 2.67Å; L77-D79 VanDerWaalsContact C-N 3.28Å; L77-D79 PolarHBondContact O-N 2.86Å; L77-C80 WeakPolarHBondContact O-CB 3.48Å; L77-C80 PolarHBondContact O-N 3.41Å; L77-C80 VanDerWaalsContact O-N 3.16Å; L77-I81 HydrophobicContact CD1-CD1 4.08Å; L77-I81 HydrophobicContact CD1-CG1 4.22Å; L77-I81 HydrophobicContact CD2-CD1 4.39Å; L77-I81 HydrophobicContact CG-CD1 3.9Å; L77-I81 HydrophobicContact CG-CG1 4.44Å; L77-I81 WeakPolarHBondContact O-CG1 3.44Å; L77-I81 PolarHBondContact O-N 3.26Å
78	M	89.7	Confident	85.6	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.02	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-36.3	-179.6	-73.8	-57.6	-58.6	0	0	111.5	F56 K58 L61 L74 D75 I81 R82	F56-M78 HydrophobicContact CD1-SD 4.41Å; K58-M78 HydrophobicContact CB-CG 4.38Å; L61-M78 HydrophobicContact CD1-CG 4.06Å; L61-M78 HydrophobicContact CD1-SD 3.99Å; L74-M78 WeakPolarHBondContact O-CB 3.39Å; L74-M78 VanDerWaalsContact O-CG 3.32Å; L74-M78 WeakPolarHBondContact O-CG 3.25Å; L74-M78 PolarHBondContact O-N 2.84Å; D75-M78 PolarHBondContact O-N 3.24Å; M78-I81 PolarHBondContact O-N 2.74Å; M78-I81 HydrophobicContact SD-CD1 4.36Å; M78-R82 WeakPolarHBondContact O-CB 3.32Å; M78-R82 VanDerWaalsContact O-CG 3.22Å; M78-R82 WeakPolarHBondContact O-CG 3.34Å; M78-R82 PolarHBondContact O-N 2.78Å
79	D	84.8	Confident	84.9	Confident	57 Å²	57	56.3 Å²	56.3	31%	0.305	27%	0.274	S	S	.	.	H	α-helix	trans	-67.1	-40.6	173.1	-74.6	-16.8	0	0	0	111.9	D75 E76 L77 I81 R82 S83	D75-D79 WeakPolarHBondContact O-CB 3.42Å; D75-D79 PolarHBondContact O-N 3.42Å; E76-D79 PolarHBondContact O-N 3.22Å; L77-D79 VanDerWaalsContact C-N 3.28Å; L77-D79 PolarHBondContact O-N 2.86Å; D79-I81 VanDerWaalsContact C-N 3.35Å; D79-I81 PolarHBondContact O-N 3.15Å; D79-R82 PolarHBondContact O-N 2.68Å; D79-R82 IonicContact OD1-CZ 2.64Å; D79-R82 IonicContact OD1-NH1 3.3Å; D79-R82 PolarHBondContact OD1-NH1 3.43Å; D79-S83 WeakPolarHBondContact O-CB 3.45Å; D79-S83 PolarHBondContact O-N 3.1Å
80	C	85.4	Confident	83.7	Confident	22 Å²	22	58.4 Å²	58.4	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-44.7	171.7	-171.8	0	0	0	0	111.9	Q35 E76 L77 S83 F84	Q35-C80 HydrophobicContact CG-CB 4.48Å; E76-C80 WeakPolarHBondContact O-CB 3.33Å; E76-C80 PolarHBondContact O-N 3.46Å; L77-C80 WeakPolarHBondContact O-CB 3.48Å; L77-C80 PolarHBondContact O-N 3.41Å; L77-C80 VanDerWaalsContact O-N 3.16Å; C80-S83 PolarHBondContact O-N 2.96Å; C80-F84 WeakPolarHBondContact O-CB 3.35Å; C80-F84 PolarHBondContact O-N 3.28Å
81	I	90.1	Very high	82.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-41.6	177.7	-67.9	170.6	0	0	0	111	W29 L53 F56 L77 M78 D79 F84 R85	W29-I81 HydrophobicContact CH2-CG1 3.89Å; L53-I81 HydrophobicContact CD1-CD1 3.82Å; L53-I81 HydrophobicContact CD1-CG1 3.94Å; F56-I81 HydrophobicContact CB-CD1 4.49Å; L77-I81 HydrophobicContact CD1-CD1 4.08Å; L77-I81 HydrophobicContact CD1-CG1 4.22Å; L77-I81 HydrophobicContact CD2-CD1 4.39Å; L77-I81 HydrophobicContact CG-CD1 3.9Å; L77-I81 HydrophobicContact CG-CG1 4.44Å; L77-I81 WeakPolarHBondContact O-CG1 3.44Å; L77-I81 PolarHBondContact O-N 3.26Å; M78-I81 PolarHBondContact O-N 2.74Å; M78-I81 HydrophobicContact SD-CD1 4.36Å; D79-I81 VanDerWaalsContact C-N 3.35Å; D79-I81 PolarHBondContact O-N 3.15Å; I81-F84 WeakPolarHBondContact O-CB 3.35Å; I81-F84 PolarHBondContact O-N 2.97Å; I81-R85 WeakPolarHBondContact O-CG 3.42Å; I81-R85 PolarHBondContact O-N 3.15Å
82	R	87.9	Confident	81.9	Confident	108 Å²	108	56.3 Å²	56.3	41%	0.408	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-44.8	175.6	-74.2	172.3	-168.5	119.3	3.4	111.5	M78 D79 F84 R85 M86	M78-R82 WeakPolarHBondContact O-CB 3.32Å; M78-R82 VanDerWaalsContact O-CG 3.22Å; M78-R82 WeakPolarHBondContact O-CG 3.34Å; M78-R82 PolarHBondContact O-N 2.78Å; D79-R82 PolarHBondContact O-N 2.68Å; D79-R82 IonicContact OD1-CZ 2.64Å; D79-R82 IonicContact OD1-NH1 3.3Å; D79-R82 PolarHBondContact OD1-NH1 3.43Å; R82-F84 VanDerWaalsContact C-N 3.31Å; R82-F84 PolarHBondContact O-N 2.95Å; R82-R85 WeakPolarHBondContact O-CB 3.38Å; R82-R85 PolarHBondContact O-N 3.42Å; R82-M86 WeakPolarHBondContact O-CG 3.28Å; R82-M86 PolarHBondContact O-N 2.89Å
83	S	82.6	Confident	80.9	Confident	59 Å²	59	55.4 Å²	55.4	41%	0.413	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-44.1	175.7	-174.8	0	0	0	0	111	D79 C80 M86 Q87	D79-S83 WeakPolarHBondContact O-CB 3.45Å; D79-S83 PolarHBondContact O-N 3.1Å; C80-S83 PolarHBondContact O-N 2.96Å; S83-M86 PolarHBondContact O-N 2.91Å; S83-Q87 WeakPolarHBondContact O-CG 3.3Å; S83-Q87 PolarHBondContact O-N 2.85Å
84	F	85.1	Confident	79.9	Confident	1 Å²	1	55.1 Å²	55.1	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-58.6	-48.4	175	173.3	-110.5	0	0	0	111.9	A18 Y21 W29 L53 L54 C80 I81 R82 M86 Q87 Q88 L95 Y99	A18-F84 HydrophobicContact CB-CE1 3.89Å; A18-F84 HydrophobicContact CB-CZ 3.54Å; Y21-F84 AromaticContact CE2-CZ 3.88Å; Y21-F84 HydrophobicContact CE2-CZ 3.88Å; W29-F84 AromaticContact CD1-CE2 3.93Å; W29-F84 HydrophobicContact CZ2-CB 3.99Å; W29-F84 HydrophobicContact CZ2-CD1 4.47Å; W29-F84 HydrophobicContact CZ2-CG 4.11Å; W29-F84 AromaticContact NE1-CD2 3.36Å; W29-F84 AromaticContact NE1-CE2 3.71Å; W29-F84 AromaticContact NE1-CG 3.73Å; L53-F84 HydrophobicContact CD2-CD1 4.21Å; L53-F84 HydrophobicContact CD2-CE1 4.02Å; L54-F84 HydrophobicContact CD2-CD1 4.29Å; L54-F84 HydrophobicContact CD2-CE1 3.95Å; C80-F84 WeakPolarHBondContact O-CB 3.35Å; C80-F84 PolarHBondContact O-N 3.28Å; I81-F84 WeakPolarHBondContact O-CB 3.35Å; I81-F84 PolarHBondContact O-N 2.97Å; R82-F84 VanDerWaalsContact C-N 3.31Å; R82-F84 PolarHBondContact O-N 2.95Å; F84-M86 VanDerWaalsContact C-N 3.31Å; F84-M86 PolarHBondContact O-N 3.22Å; F84-Q87 PolarHBondContact O-N 3.23Å; F84-Q88 HydrophobicContact CD2-CG 4.41Å; F84-Q88 HydrophobicContact CE1-CG 4.39Å; F84-Q88 HydrophobicContact CE2-CG 4.02Å; F84-Q88 HydrophobicContact CZ-CG 4.02Å; F84-Q88 WeakPolarHBondContact O-CG 3.29Å; F84-Q88 PolarHBondContact O-N 2.81Å; F84-L95 HydrophobicContact CD2-CD1 3.98Å; F84-L95 HydrophobicContact CD2-CD2 4.23Å; F84-L95 HydrophobicContact CE2-CD1 3.92Å; F84-L95 HydrophobicContact CE2-CD2 3.63Å; F84-L95 HydrophobicContact CE2-CG 4.4Å; F84-L95 HydrophobicContact CZ-CD2 4.47Å; F84-Y99 WeakPolarHBondContact CE2-OH 3.37Å
85	R	87.2	Confident	78.9	Confident	61 Å²	61	55.3 Å²	55.3	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-56.4	-43.8	175.6	-70.7	170.7	-172.2	174.5	4.5	112.1	L53 L54 F56 I81 R82 Q88 L89	L53-R85 PolarHBondContact O-NH2 3.43Å; L54-R85 VanDerWaalsContact C-NH2 3.34Å; L54-R85 HydrophobicContact CD2-CG 3.82Å; L54-R85 PolarHBondContact O-NE 3.37Å; L54-R85 VanDerWaalsContact O-NE 3.09Å; L54-R85 PolarHBondContact O-NH2 3.33Å; L54-R85 VanDerWaalsContact O-NH2 3.1Å; F56-R85 PolarHBondContact O-NH1 3.36Å; F56-R85 PolarHBondContact O-NH2 3.14Å; I81-R85 WeakPolarHBondContact O-CG 3.42Å; I81-R85 PolarHBondContact O-N 3.15Å; R82-R85 WeakPolarHBondContact O-CB 3.38Å; R82-R85 PolarHBondContact O-N 3.42Å; R85-Q88 PolarHBondContact O-N 2.73Å; R85-L89 WeakPolarHBondContact O-CG 3.46Å; R85-L89 PolarHBondContact O-N 2.68Å
86	M	78.1	Confident	78.3	Confident	109 Å²	109	55.5 Å²	55.5	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-45.6	178.2	-74.4	-57.2	-57.3	0	0	112.2	R82 S83 F84 Q88 L89 C90	R82-M86 WeakPolarHBondContact O-CG 3.28Å; R82-M86 PolarHBondContact O-N 2.89Å; S83-M86 PolarHBondContact O-N 2.91Å; F84-M86 VanDerWaalsContact C-N 3.31Å; F84-M86 PolarHBondContact O-N 3.22Å; M86-Q88 VanDerWaalsContact C-N 3.28Å; M86-Q88 PolarHBondContact O-N 3.46Å; M86-L89 PolarHBondContact O-N 3.41Å; M86-L89 VanDerWaalsContact O-N 3.13Å; M86-C90 WeakPolarHBondContact O-CB 3.38Å; M86-C90 PolarHBondContact O-N 3.01Å
87	Q	76.5	Confident	77.3	Confident	19 Å²	19	52.8 Å²	52.8	9%	0.089	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-39.2	177.6	-76.1	177	-6.7	0	0	111.8	S83 F84 L89 E91	S83-Q87 WeakPolarHBondContact O-CG 3.3Å; S83-Q87 PolarHBondContact O-N 2.85Å; F84-Q87 PolarHBondContact O-N 3.23Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 2.75Å; Q87-E91 CarbonylContact O-C 3.5Å; Q87-E91 VanDerWaalsContact O-CA 3.29Å; Q87-E91 WeakPolarHBondContact O-CA 3.46Å; Q87-E91 PolarHBondContact O-N 3.41Å
88	Q	77.2	Confident	76.4	Confident	48 Å²	48	57.1 Å²	57.1	22%	0.224	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-35.3	176.5	-70.2	-149.8	-67.3	0	0	114.2	F84 R85 M86 L95	F84-Q88 HydrophobicContact CD2-CG 4.41Å; F84-Q88 HydrophobicContact CE1-CG 4.39Å; F84-Q88 HydrophobicContact CE2-CG 4.02Å; F84-Q88 HydrophobicContact CZ-CG 4.02Å; F84-Q88 WeakPolarHBondContact O-CG 3.29Å; F84-Q88 PolarHBondContact O-N 2.81Å; R85-Q88 PolarHBondContact O-N 2.73Å; M86-Q88 VanDerWaalsContact C-N 3.28Å; M86-Q88 PolarHBondContact O-N 3.46Å; Q88-L95 HydrophobicContact CG-CD2 3.57Å
89	L	72.2	Confident	75.8	Confident	140 Å²	140	57 Å²	57	73%	0.733	30%	0.298	S	S	*	.	H	α-helix	trans	-82	-40.1	-177.7	-69	170.5	0	0	0	111.7	R85 M86 Q87	R85-L89 WeakPolarHBondContact O-CG 3.46Å; R85-L89 PolarHBondContact O-N 2.68Å; M86-L89 PolarHBondContact O-N 3.41Å; M86-L89 VanDerWaalsContact O-N 3.13Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 2.75Å
90	C	66.1	Low	75	Confident	87 Å²	87	57.9 Å²	57.9	59%	0.588	30%	0.303	S	S	*	.	H	α-helix	trans	-108.6	-29.7	-167.9	-59.5	0	0	0	0	113.8	M86	M86-C90 WeakPolarHBondContact O-CB 3.38Å; M86-C90 PolarHBondContact O-N 3.01Å
91	E	68.2	Low	74.1	Confident	99 Å²	99	57.8 Å²	57.8	46%	0.463	30%	0.301	S	S	.	.			trans	-137.2	53.1	-171.8	-58.7	-176.4	154.5	0	0	112.4	Q87 D93 A94 L95	Q87-E91 CarbonylContact O-C 3.5Å; Q87-E91 VanDerWaalsContact O-CA 3.29Å; Q87-E91 WeakPolarHBondContact O-CA 3.46Å; Q87-E91 PolarHBondContact O-N 3.41Å; E91-D93 VanDerWaalsContact C-N 3.25Å; E91-D93 PolarHBondContact O-N 2.74Å; E91-A94 HydrophobicContact CB-CB 4.05Å; E91-A94 WeakPolarHBondContact O-CB 3.45Å; E91-A94 PolarHBondContact O-N 2.85Å; E91-A94 VanDerWaalsContact O-N 3.1Å; E91-L95 PolarHBondContact O-N 3.27Å
92	P	69.2	Low	72.8	Confident	62 Å²	62	58.6 Å²	58.6	40%	0.403	31%	0.308	S	S	.	.	H	α-helix	trans	-59.9	-35.1	-173.3	24.3	-34.4	0	0	0	112.8	A94 L95 I96	P92-A94 VanDerWaalsContact C-N 3.34Å; P92-A94 PolarHBondContact O-N 3.08Å; P92-L95 WeakPolarHBondContact O-CB 3.44Å; P92-L95 PolarHBondContact O-N 2.88Å; P92-I96 WeakPolarHBondContact O-CG1 3.39Å; P92-I96 PolarHBondContact O-N 2.82Å
93	D	64.6	Low	71.7	Confident	104 Å²	104	53.9 Å²	53.9	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-66.2	-35.8	178.7	-63.5	-23.6	0	0	0	112.3	E91 L95 I96 C97	E91-D93 VanDerWaalsContact C-N 3.25Å; E91-D93 PolarHBondContact O-N 2.74Å; D93-L95 VanDerWaalsContact C-N 3.32Å; D93-L95 PolarHBondContact O-N 2.86Å; D93-I96 PolarHBondContact O-N 3.01Å; D93-C97 WeakPolarHBondContact O-CB 3.39Å; D93-C97 PolarHBondContact O-N 2.69Å; D93-C97 PolarHBondContact O-SG 2.95Å
94	A	64	Low	70.5	Confident	40 Å²	40	53.5 Å²	53.5	33%	0.331	29%	0.289	S	S	.	.	H	α-helix	trans	-66.5	-37.9	176.6	0	0	0	0	0	111.1	E91 P92 C97 R98	E91-A94 HydrophobicContact CB-CB 4.05Å; E91-A94 WeakPolarHBondContact O-CB 3.45Å; E91-A94 PolarHBondContact O-N 2.85Å; E91-A94 VanDerWaalsContact O-N 3.1Å; P92-A94 VanDerWaalsContact C-N 3.34Å; P92-A94 PolarHBondContact O-N 3.08Å; A94-C97 PolarHBondContact O-N 2.74Å; A94-R98 WeakPolarHBondContact O-CG 3.4Å; A94-R98 PolarHBondContact O-N 2.9Å; A94-R98 VanDerWaalsContact O-N 3.09Å
95	L	68.1	Low	69.2	Low	7 Å²	7	55.1 Å²	55.1	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-45	175.5	-176.5	67.5	0	0	0	111.7	F33 F84 Q88 E91 P92 D93 C97 R98 Y99	F33-L95 HydrophobicContact CE2-CD1 4.36Å; F33-L95 HydrophobicContact CZ-CD1 3.97Å; F84-L95 HydrophobicContact CD2-CD1 3.98Å; F84-L95 HydrophobicContact CD2-CD2 4.23Å; F84-L95 HydrophobicContact CE2-CD1 3.92Å; F84-L95 HydrophobicContact CE2-CD2 3.63Å; F84-L95 HydrophobicContact CE2-CG 4.4Å; F84-L95 HydrophobicContact CZ-CD2 4.47Å; Q88-L95 HydrophobicContact CG-CD2 3.57Å; E91-L95 PolarHBondContact O-N 3.27Å; P92-L95 WeakPolarHBondContact O-CB 3.44Å; P92-L95 PolarHBondContact O-N 2.88Å; D93-L95 VanDerWaalsContact C-N 3.32Å; D93-L95 PolarHBondContact O-N 2.86Å; L95-C97 VanDerWaalsContact C-N 3.31Å; L95-C97 PolarHBondContact O-N 2.83Å; L95-R98 PolarHBondContact O-N 3.27Å; L95-Y99 HydrophobicContact CD1-CE1 4.3Å; L95-Y99 HydrophobicContact CD1-CE2 3.99Å; L95-Y99 HydrophobicContact CD2-CE2 4.04Å; L95-Y99 HydrophobicContact CG-CD2 4.34Å; L95-Y99 HydrophobicContact CG-CE2 3.6Å; L95-Y99 WeakPolarHBondContact O-CD2 3.02Å; L95-Y99 PolarHBondContact O-N 3.22Å
96	I	72.2	Confident	67.9	Low	60 Å²	60	56.2 Å²	56.2	31%	0.308	30%	0.303	S	S	.	.	H	α-helix	trans	-57	-47.6	173.6	-71	168.1	0	0	0	110.2	A14 P92 D93 R98 Y99 L100	A14-I96 HydrophobicContact CB-CG1 4.49Å; A14-I96 HydrophobicContact CB-CG2 4.12Å; P92-I96 WeakPolarHBondContact O-CG1 3.39Å; P92-I96 PolarHBondContact O-N 2.82Å; D93-I96 PolarHBondContact O-N 3.01Å; I96-R98 VanDerWaalsContact C-N 3.31Å; I96-R98 PolarHBondContact O-N 3.24Å; I96-Y99 PolarHBondContact O-N 3.1Å; I96-Y99 VanDerWaalsContact O-N 3.09Å; I96-L100 HydrophobicContact CG2-CD1 3.8Å; I96-L100 HydrophobicContact CG2-CG 4.22Å; I96-L100 WeakPolarHBondContact O-CG 3.19Å; I96-L100 PolarHBondContact O-N 2.79Å
97	C	64.7	Low	66.4	Low	21 Å²	21	55.2 Å²	55.2	14%	0.142	30%	0.297	C	S	.	.	H	α-helix	trans	-54.9	-46.6	178.1	-73.8	0	0	0	0	111.2	D93 A94 L95 Y99 L100 T101 P223	D93-C97 WeakPolarHBondContact O-CB 3.39Å; D93-C97 PolarHBondContact O-N 2.69Å; D93-C97 PolarHBondContact O-SG 2.95Å; A94-C97 PolarHBondContact O-N 2.74Å; L95-C97 VanDerWaalsContact C-N 3.31Å; L95-C97 PolarHBondContact O-N 2.83Å; C97-Y99 VanDerWaalsContact C-N 3.32Å; C97-Y99 PolarHBondContact O-N 2.82Å; C97-L100 PolarHBondContact O-N 3.01Å; C97-T101 WeakPolarHBondContact O-CB 3.17Å; C97-T101 PolarHBondContact O-N 3.42Å; C97-T101 PolarHBondContact O-OG1 2.91Å; C97-P223 HydrophobicContact CB-CG 4.02Å
98	R	70.4	Confident	64.7	Low	91 Å²	91	57.7 Å²	57.7	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-58.6	-40.2	177.5	-73.1	178.8	-171.4	-118.9	0.8	113	A94 L95 I96 T101 A102	A94-R98 WeakPolarHBondContact O-CG 3.4Å; A94-R98 PolarHBondContact O-N 2.9Å; A94-R98 VanDerWaalsContact O-N 3.09Å; L95-R98 PolarHBondContact O-N 3.27Å; I96-R98 VanDerWaalsContact C-N 3.31Å; I96-R98 PolarHBondContact O-N 3.24Å; R98-T101 VanDerWaalsContact O-CB 3.3Å; R98-T101 WeakPolarHBondContact O-CB 2.89Å; R98-T101 PolarHBondContact O-N 2.99Å; R98-A102 PolarHBondContact O-N 3.4Å; R98-A102 VanDerWaalsContact O-N 3.09Å
99	Y	77.5	Confident	63.1	Low	1 Å²	1	59.1 Å²	59.1	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-69.2	-43.8	178	-60.3	-39	0	0	0	112.6	L13 A14 Y21 I32 F33 F84 L95 I96 C97 T101 A102 V103	L13-Y99 HydrophobicContact CB-CD1 4.15Å; L13-Y99 HydrophobicContact CB-CD2 3.67Å; L13-Y99 HydrophobicContact CB-CE1 4.16Å; L13-Y99 HydrophobicContact CB-CE2 3.67Å; L13-Y99 HydrophobicContact CB-CG 3.89Å; L13-Y99 HydrophobicContact CD1-CD1 4.04Å; L13-Y99 HydrophobicContact CD1-CE1 3.87Å; A14-Y99 HydrophobicContact CB-CD2 4.35Å; Y21-Y99 WeakPolarHBondContact OH-CE2 3.29Å; Y21-Y99 PolarHBondContact OH-OH 2.9Å; I32-Y99 HydrophobicContact CD1-CD1 3.64Å; I32-Y99 HydrophobicContact CD1-CE1 4.13Å; I32-Y99 HydrophobicContact CG2-CD1 4.47Å; F33-Y99 HydrophobicContact CE2-CE1 4.14Å; F84-Y99 WeakPolarHBondContact CE2-OH 3.37Å; L95-Y99 HydrophobicContact CD1-CE1 4.3Å; L95-Y99 HydrophobicContact CD1-CE2 3.99Å; L95-Y99 HydrophobicContact CD2-CE2 4.04Å; L95-Y99 HydrophobicContact CG-CD2 4.34Å; L95-Y99 HydrophobicContact CG-CE2 3.6Å; L95-Y99 WeakPolarHBondContact O-CD2 3.02Å; L95-Y99 PolarHBondContact O-N 3.22Å; I96-Y99 PolarHBondContact O-N 3.1Å; I96-Y99 VanDerWaalsContact O-N 3.09Å; C97-Y99 VanDerWaalsContact C-N 3.32Å; C97-Y99 PolarHBondContact O-N 2.82Å; Y99-T101 VanDerWaalsContact C-N 3.27Å; Y99-T101 PolarHBondContact O-N 2.88Å; Y99-A102 WeakPolarHBondContact O-CB 3.49Å; Y99-A102 PolarHBondContact O-N 3.37Å; Y99-V103 PolarHBondContact O-N 2.88Å
100	L	68	Low	61.8	Low	77 Å²	77	58 Å²	58	40%	0.403	31%	0.312	S	S	.	.	H	α-helix	trans	-62.8	-37.8	175.5	-65	177.7	0	0	0	111.3	A14 I96 C97 A102 V103 S104	A14-L100 HydrophobicContact CB-CD2 4.44Å; I96-L100 HydrophobicContact CG2-CD1 3.8Å; I96-L100 HydrophobicContact CG2-CG 4.22Å; I96-L100 WeakPolarHBondContact O-CG 3.19Å; I96-L100 PolarHBondContact O-N 2.79Å; C97-L100 PolarHBondContact O-N 3.01Å; L100-A102 PolarHBondContact O-N 3.34Å; L100-V103 VanDerWaalsContact O-CB 3.31Å; L100-V103 WeakPolarHBondContact O-CB 3.41Å; L100-V103 PolarHBondContact O-N 3.45Å; L100-V103 VanDerWaalsContact O-N 3.14Å; L100-S104 PolarHBondContact O-N 3.35Å; L100-S104 VanDerWaalsContact O-N 3.1Å; L100-S104 PolarHBondContact O-OG 3.5Å
101	T	65.3	Low	60.5	Low	19 Å²	19	61.7 Å²	61.7	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-54.3	-54.5	171.8	-48.1	0	0	0	0	110.8	C97 R98 Y99 V103 S104 V105 F222 P223	C97-T101 WeakPolarHBondContact O-CB 3.17Å; C97-T101 PolarHBondContact O-N 3.42Å; C97-T101 PolarHBondContact O-OG1 2.91Å; R98-T101 VanDerWaalsContact O-CB 3.3Å; R98-T101 WeakPolarHBondContact O-CB 2.89Å; R98-T101 PolarHBondContact O-N 2.99Å; Y99-T101 VanDerWaalsContact C-N 3.27Å; Y99-T101 PolarHBondContact O-N 2.88Å; T101-V103 CarbonylContact O-C 3.52Å; T101-V103 PolarHBondContact O-N 3.23Å; T101-S104 PolarHBondContact O-N 3.13Å; T101-V105 HydrophobicContact CG2-CG2 3.73Å; T101-V105 WeakPolarHBondContact O-CB 3.42Å; T101-V105 WeakPolarHBondContact O-CG2 3.48Å; T101-V105 PolarHBondContact O-N 3.37Å; T101-F222 HydrophobicContact CG2-CB 3.9Å; T101-F222 HydrophobicContact CG2-CD2 4.47Å; T101-P223 WeakPolarHBondContact OG1-CD 3.44Å; T101-P223 WeakPolarHBondContact OG1-CG 3.5Å
102	A	64.5	Low	58.5	Low	17 Å²	17	66.1 Å²	66.1	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-56.5	-28.5	-177.5	0	0	0	0	0	112.3	F6 I32 R98 Y99 L100	F6-A102 HydrophobicContact CE1-CB 4.07Å; F6-A102 WeakPolarHBondContact CE1-O 3.4Å; F6-A102 HydrophobicContact CZ-CB 4.17Å; I32-A102 HydrophobicContact CD1-CB 3.99Å; I32-A102 HydrophobicContact CG1-CB 3.95Å; I32-A102 HydrophobicContact CG2-CB 4.43Å; R98-A102 PolarHBondContact O-N 3.4Å; R98-A102 VanDerWaalsContact O-N 3.09Å; Y99-A102 WeakPolarHBondContact O-CB 3.49Å; Y99-A102 PolarHBondContact O-N 3.37Å; L100-A102 PolarHBondContact O-N 3.34Å
103	V	64.6	Low	56.6	Low	10 Å²	10	71.8 Å²	71.8	6%	0.061	35%	0.353	C	S	.	.	H	α-helix	trans	-67.9	-59.2	170	179.1	0	0	0	0	111.4	E7 C10 Y99 L100 T101 V105 R106 E107	E7-V103 HydrophobicContact CB-CG1 4.18Å; E7-V103 HydrophobicContact CG-CG1 3.57Å; E7-V103 HydrophobicContact CG-CG2 4.2Å; C10-V103 HydrophobicContact CB-CG2 3.32Å; Y99-V103 PolarHBondContact O-N 2.88Å; L100-V103 VanDerWaalsContact O-CB 3.31Å; L100-V103 WeakPolarHBondContact O-CB 3.41Å; L100-V103 PolarHBondContact O-N 3.45Å; L100-V103 VanDerWaalsContact O-N 3.14Å; T101-V103 CarbonylContact O-C 3.52Å; T101-V103 PolarHBondContact O-N 3.23Å; V103-V105 VanDerWaalsContact C-N 3.28Å; V103-V105 PolarHBondContact O-N 2.83Å; V103-R106 WeakPolarHBondContact O-CB 3.43Å; V103-R106 PolarHBondContact O-N 3.08Å; V103-E107 PolarHBondContact O-N 3.41Å
104	S	57.4	Low	54.9	Low	50 Å²	50	71.9 Å²	71.9	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-59	-39	-173.6	-56.5	0	0	0	0	112.8	L100 T101 R106 E107 N108	L100-S104 PolarHBondContact O-N 3.35Å; L100-S104 VanDerWaalsContact O-N 3.1Å; L100-S104 PolarHBondContact O-OG 3.5Å; T101-S104 PolarHBondContact O-N 3.13Å; S104-R106 PolarHBondContact O-N 2.96Å; S104-E107 PolarHBondContact O-N 3.26Å; S104-E107 VanDerWaalsContact O-N 3.17Å; S104-N108 PolarHBondContact O-N 3.19Å; S104-N108 VanDerWaalsContact O-N 3.13Å
105	V	57.7	Low	53.3	Low	35 Å²	35	79.8 Å²	79.8	21%	0.212	39%	0.386	C	S	.	.	H	α-helix	trans	-53.9	-41.7	174.9	167.8	0	0	0	0	111.6	T101 V103 S109 V153	T101-V105 HydrophobicContact CG2-CG2 3.73Å; T101-V105 WeakPolarHBondContact O-CB 3.42Å; T101-V105 WeakPolarHBondContact O-CG2 3.48Å; T101-V105 PolarHBondContact O-N 3.37Å; V103-V105 VanDerWaalsContact C-N 3.28Å; V103-V105 PolarHBondContact O-N 2.83Å; V105-S109 PolarHBondContact O-N 3.2Å; V105-V153 HydrophobicContact CB-CB 4.11Å; V105-V153 HydrophobicContact CB-CG1 3.96Å; V105-V153 HydrophobicContact CB-CG2 3.66Å; V105-V153 HydrophobicContact CG1-CB 3.57Å; V105-V153 HydrophobicContact CG1-CG1 3.43Å; V105-V153 VanDerWaalsContact CG1-CG1 3.43Å; V105-V153 HydrophobicContact CG1-CG2 3.66Å; V105-V153 HydrophobicContact CG2-CB 3.83Å; V105-V153 HydrophobicContact CG2-CG1 3.4Å; V105-V153 HydrophobicContact CG2-CG2 3.32Å
106	R	59.8	Low	51.7	Low	84 Å²	84	84.2 Å²	84.2	32%	0.317	42%	0.417	S	S	.	.	H	α-helix	trans	-78.8	-27.9	-175.3	-150.6	174.5	-168.7	-136.7	5.6	111.8	G3 V103 S104 S109 R110	G3-R106 PolarHBondContact O-NH1 3.15Å; V103-R106 WeakPolarHBondContact O-CB 3.43Å; V103-R106 PolarHBondContact O-N 3.08Å; S104-R106 PolarHBondContact O-N 2.96Å; R106-S109 WeakPolarHBondContact CA-OG 3.4Å; R106-S109 PolarHBondContact O-OG 2.82Å; R106-R110 WeakPolarHBondContact O-CG 3.48Å; R106-R110 PolarHBondContact O-N 2.91Å
107	E	47.1	Very low	49.7	Very low	88 Å²	88	90.6 Å²	90.6	41%	0.411	45%	0.446	S	S	.	.	H	α-helix	trans	-67.1	-44.3	172	-66.6	-176.5	139.5	0	0	111.2	V103 S104 S109 R110 Q111	V103-E107 PolarHBondContact O-N 3.41Å; S104-E107 PolarHBondContact O-N 3.26Å; S104-E107 VanDerWaalsContact O-N 3.17Å; E107-S109 VanDerWaalsContact C-N 3.34Å; E107-S109 PolarHBondContact O-N 3.09Å; E107-R110 WeakPolarHBondContact O-CB 3.08Å; E107-R110 PolarHBondContact O-N 3.44Å; E107-Q111 PolarHBondContact O-N 2.65Å
108	N	41	Very low	48.1	Very low	71 Å²	71	98.8 Å²	98.8	38%	0.38	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-38.2	178.6	-70	-13.4	0	0	0	112.2	S104 R110 Q111 Y112	S104-N108 PolarHBondContact O-N 3.19Å; S104-N108 VanDerWaalsContact O-N 3.13Å; N108-R110 VanDerWaalsContact C-N 3.27Å; N108-R110 PolarHBondContact O-N 3.26Å; N108-Q111 PolarHBondContact O-N 2.86Å; N108-Y112 PolarHBondContact O-N 2.81Å
109	S	43.2	Very low	46.2	Very low	78 Å²	78	98.2 Å²	98.2	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-67.5	-21.3	173.6	62.8	0	0	0	0	114.4	V105 R106 E107	V105-S109 PolarHBondContact O-N 3.2Å; R106-S109 WeakPolarHBondContact CA-OG 3.4Å; R106-S109 PolarHBondContact O-OG 2.82Å; E107-S109 VanDerWaalsContact C-N 3.34Å; E107-S109 PolarHBondContact O-N 3.09Å
110	R	44.3	Very low	44.1	Very low	116 Å²	116	105.2 Å²	105.2	44%	0.438	54%	0.544	S	S	.	.	H	α-helix	trans	-82.5	-28	174.3	-73.5	-178.5	-168.4	169.7	15.8	113.5	G3 R106 E107 N108 Y112	G3-R110 PolarHBondContact O-NH2 3.49Å; R106-R110 WeakPolarHBondContact O-CG 3.48Å; R106-R110 PolarHBondContact O-N 2.91Å; E107-R110 WeakPolarHBondContact O-CB 3.08Å; E107-R110 PolarHBondContact O-N 3.44Å; N108-R110 VanDerWaalsContact C-N 3.27Å; N108-R110 PolarHBondContact O-N 3.26Å; R110-Y112 VanDerWaalsContact C-N 3.31Å
111	Q	37.8	Very low	42.3	Very low	165 Å²	165	105.8 Å²	105.8	77%	0.771	56%	0.56	S	S	*	*	H	α-helix	trans	-75.6	-22.4	176.2	-73.4	-173.9	1	0	0	112.5	E107 N108 K113	E107-Q111 PolarHBondContact O-N 2.65Å; N108-Q111 PolarHBondContact O-N 2.86Å; Q111-K113 PolarHBondContact O-N 3.32Å
112	Y	27.3	Very low	40.6	Very low	192 Å²	192	116.4 Å²	116.4	75%	0.753	60%	0.598	S	S	*	*			trans	-79.8	82.9	174.3	-154.6	-96.6	0	0	0	111.7	N108 R110	N108-Y112 PolarHBondContact O-N 2.81Å; R110-Y112 VanDerWaalsContact C-N 3.31Å
113	K	28.2	Very low	39.1	Very low	182 Å²	182	121 Å²	121	79%	0.791	63%	0.626	S	S	*	*			trans	-85.1	122.2	158.2	-84.9	-176.9	178.2	176.9	0	108.2	Q111 K115	Q111-K113 PolarHBondContact O-N 3.32Å; K113-K115 PolarHBondContact O-N 3.37Å
114	P	29.2	Very low	37.6	Very low	105 Å²	105	126.8 Å²	126.8	68%	0.682	66%	0.664	S	S	*	*			trans	-60.2	127.9	169.3	25.5	-30	0	0	0	107.6	S116	P114-S116 PolarHBondContact O-N 3.32Å
115	K	31.4	Very low	36.2	Very low	207 Å²	207	127.8 Å²	127.8	90%	0.9	68%	0.682	S	S	*	*			trans	-56.1	112.1	171.9	-76.6	-179.8	177.1	175.7	0	107.1	K113 E117	K113-K115 PolarHBondContact O-N 3.37Å; K115-E117 PolarHBondContact O-N 2.95Å
116	S	33.8	Very low	35.1	Very low	100 Å²	100	134 Å²	134	70%	0.699	71%	0.714	S	S	*	*			trans	-61.1	121.2	171.9	57.1	0	0	0	0	108.7	P114 K118	P114-S116 PolarHBondContact O-N 3.32Å; S116-K118 PolarHBondContact O-N 3Å
117	E	30.2	Very low	33.7	Very low	193 Å²	193	138.8 Å²	138.8	90%	0.902	74%	0.737	S	S	*	*			trans	-54.4	107.3	164.9	-69.4	175.7	147.9	0	0	109.7	K115	K115-E117 PolarHBondContact O-N 2.95Å
118	K	31.6	Very low	33.1	Very low	194 Å²	194	141.5 Å²	141.5	84%	0.843	75%	0.754	S	S	*	*			trans	-142.5	108.3	161.7	-76.5	-164.6	176.9	-177.9	0	110.3	S116	S116-K118 PolarHBondContact O-N 3Å
119	G	29.3	Very low	32.7	Very low	79 Å²	79	146.1 Å²	146.1	81%	0.814	77%	0.774	S	S	*	*			trans	87.5	75.6	146.1	0	0	0	0	0	117.1
120	V	33.9	Very low	32.1	Very low	148 Å²	148	149.5 Å²	149.5	90%	0.897	79%	0.786	S	S	*	*			trans	-90.6	109.8	156	180	0	0	0	0	108.1
121	A	31.6	Very low	31.5	Very low	88 Å²	88	152.4 Å²	152.4	73%	0.727	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.6	136.2	167.1	0	0	0	0	0	109.8
122	R	29	Very low	31.2	Very low	243 Å²	243	151.4 Å²	151.4	92%	0.917	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.3	140.1	170.8	-74	177.6	172.4	-175.9	-3.4	110.7
123	P	32.7	Very low	31.4	Very low	114 Å²	114	151.2 Å²	151.2	74%	0.74	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-94.2	147.2	148.1	30.1	-19.8	0	0	0	110.4
124	P	32.9	Very low	31.5	Very low	130 Å²	130	146.3 Å²	146.3	84%	0.844	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80	152.8	177.7	34.8	-31.6	0	0	0	110.5
125	G	29.2	Very low	31.7	Very low	71 Å²	71	145 Å²	145	73%	0.732	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-76	173.9	-161.6	0	0	0	0	0	116.6
126	D	33.6	Very low	31.8	Very low	166 Å²	166	137.1 Å²	137.1	89%	0.888	79%	0.792	S	S	*	*			trans	-146.8	149.9	140.5	-112.9	-27.4	0	0	0	110.6
127	K	30.7	Very low	32	Very low	185 Å²	185	136.9 Å²	136.9	80%	0.804	79%	0.79	S	S	*	*			trans	-78.1	143	-168.5	-60.3	164.3	177.4	175.2	0	111.2
128	N	34.1	Very low	32.3	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	78%	0.781	S	S	*	*				-175.6	122.2	119.1	-97	-5.9	0	0	0	113.6
129	E	32.5	Very low	32.6	Very low	168 Å²	168	131 Å²	131	79%	0.785	77%	0.773	S	S	*	*			trans	30.3	117.1	137.8	-59.2	-176.3	165.6	0	0	121.5
130	N	30.7	Very low	32.9	Very low	149 Å²	149	132.6 Å²	132.6	80%	0.797	76%	0.762	S	S	*	*			trans	39.9	119.5	137	-62.4	-26	0	0	0	119.1
131	L	31.2	Very low	33.1	Very low	176 Å²	176	128 Å²	128	92%	0.921	74%	0.74	S	S	*	*				-166.2	139.2	114.1	-94	150.2	0	0	0	110.3
132	D	32.2	Very low	33.4	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	73%	0.728	S	S	*	*			trans	-16.1	131.5	165.1	-164.5	16	0	0	0	117.7
133	E	31.9	Very low	34	Very low	188 Å²	188	123.3 Å²	123.3	88%	0.879	72%	0.716	S	S	*	*			trans	-175.7	91.7	139.7	-104	178.4	-157.1	0	0	111.7
134	G	30.7	Very low	34.5	Very low	79 Å²	79	124.3 Å²	124.3	81%	0.814	71%	0.71	S	S	*	*			trans	-89	94.4	161.9	0	0	0	0	0	110.9
135	A	33.4	Very low	35.1	Very low	77 Å²	77	124.5 Å²	124.5	64%	0.636	70%	0.7	S	S	*	*	S	Bend	trans	-172.6	-22.8	162.4	0	0	0	0	0	114.7
136	G	32.9	Very low	35.9	Very low	42 Å²	42	125.3 Å²	125.3	43%	0.433	69%	0.685	S	S	.	*	H	α-helix	trans	-79.4	-23.4	-168.1	0	0	0	0	0	117
137	S	37.5	Very low	36.5	Very low	95 Å²	95	122.7 Å²	122.7	66%	0.664	67%	0.671	S	S	*	*	H	α-helix	trans	-76.2	-25.8	-170.8	41	0	0	0	0	114.4
138	V	37.5	Very low	37.7	Very low	116 Å²	116	118.7 Å²	118.7	70%	0.703	66%	0.658	S	S	*	*	H	α-helix	trans	-78.4	-33.8	179.6	-177.4	0	0	0	0	111.8	A142	V138-A142 WeakPolarHBondContact O-CB 3.43Å; V138-A142 PolarHBondContact O-N 3.08Å
139	Q	36.6	Very low	39	Very low	147 Å²	147	113.7 Å²	113.7	69%	0.687	63%	0.629	S	S	*	*	H	α-helix	trans	-76.6	-31.9	179.9	-96.3	172	-7.7	0	0	113.7	R143	Q139-R143 WeakPolarHBondContact O-CG 3.28Å; Q139-R143 PolarHBondContact O-N 3.42Å
140	L	35.9	Very low	40.2	Very low	112 Å²	112	105.7 Å²	105.7	59%	0.586	59%	0.592	S	S	*	*	H	α-helix	trans	-68.4	-46.4	175.3	-91.4	150.5	0	0	0	111.7	A142 R143 E144	L140-A142 PolarHBondContact O-N 2.94Å; L140-R143 PolarHBondContact O-N 3.5Å; L140-E144 WeakPolarHBondContact O-CG 3.39Å; L140-E144 PolarHBondContact O-N 3.42Å
141	A	38.2	Very low	41.4	Very low	53 Å²	53	103.4 Å²	103.4	44%	0.438	58%	0.584	S	S	.	*	H	α-helix	trans	-63.7	-38.5	177.8	0	0	0	0	0	112.7	R143 E144 E145	A141-R143 VanDerWaalsContact C-N 3.34Å; A141-R143 PolarHBondContact O-N 3.09Å; A141-E144 PolarHBondContact O-N 2.92Å; A141-E145 PolarHBondContact O-N 2.84Å; A141-E145 VanDerWaalsContact O-N 3.15Å
142	A	38.4	Very low	42.7	Very low	56 Å²	56	99 Å²	99	46%	0.463	56%	0.561	S	S	.	*	H	α-helix	trans	-64.6	-37.1	175.3	0	0	0	0	0	112.4	V138 L140 E146	V138-A142 WeakPolarHBondContact O-CB 3.43Å; V138-A142 PolarHBondContact O-N 3.08Å; L140-A142 PolarHBondContact O-N 2.94Å; A142-E146 WeakPolarHBondContact O-CG 3.34Å; A142-E146 PolarHBondContact O-N 2.89Å
143	R	40.9	Very low	43.8	Very low	176 Å²	176	93.2 Å²	93.2	66%	0.664	53%	0.531	S	S	*	.	H	α-helix	trans	-72.8	-33.2	175.2	-81.2	179.2	163.9	177.5	-4	113.2	Q139 L140 A141 E146 N147	Q139-R143 WeakPolarHBondContact O-CG 3.28Å; Q139-R143 PolarHBondContact O-N 3.42Å; L140-R143 PolarHBondContact O-N 3.5Å; A141-R143 VanDerWaalsContact C-N 3.34Å; A141-R143 PolarHBondContact O-N 3.09Å; R143-E146 PolarHBondContact O-N 3.23Å; R143-N147 PolarHBondContact O-N 3.02Å
144	E	42.6	Very low	45	Very low	134 Å²	134	90.6 Å²	90.6	63%	0.626	52%	0.523	S	S	*	.	H	α-helix	trans	-67.4	-38.3	175.9	-76.5	178.4	164.3	0	0	111.9	L140 A141 E146 N147	L140-E144 WeakPolarHBondContact O-CG 3.39Å; L140-E144 PolarHBondContact O-N 3.42Å; A141-E144 PolarHBondContact O-N 2.92Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E144-N147 PolarHBondContact O-N 3.22Å
145	E	45.8	Very low	46.7	Very low	134 Å²	134	89 Å²	89	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-67.2	-32.6	171.7	-83.8	-162.7	162.6	0	0	113.2	A141 N147 L148	A141-E145 PolarHBondContact O-N 2.84Å; A141-E145 VanDerWaalsContact O-N 3.15Å; E145-N147 PolarHBondContact O-N 2.99Å; E145-L148 HydrophobicContact CG-CD1 4.41Å; E145-L148 PolarHBondContact O-N 3.49Å
146	E	46	Very low	48.9	Very low	88 Å²	88	88.7 Å²	88.7	41%	0.411	49%	0.486	S	S	.	.	H	α-helix	trans	-66.4	-24.9	176.7	-77.5	-167	127.8	0	0	113.5	A142 R143 E144 K276	A142-E146 WeakPolarHBondContact O-CG 3.34Å; A142-E146 PolarHBondContact O-N 2.89Å; R143-E146 PolarHBondContact O-N 3.23Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E146-K276 HydrophobicContact CG-CD 4.39Å; E146-K276 IonicContact OE1-NZ 2.9Å; E146-K276 PolarHBondContact OE1-NZ 3.34Å
147	N	46.5	Very low	51.6	Low	112 Å²	112	88 Å²	88	60%	0.599	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	6.9	-178.8	-73.5	-21.9	0	0	0	114.1	R143 E144 E145 H149	R143-N147 PolarHBondContact O-N 3.02Å; E144-N147 PolarHBondContact O-N 3.22Å; E145-N147 PolarHBondContact O-N 2.99Å; N147-H149 PolarHBondContact O-CD2 2.87Å; N147-H149 PolarHBondContact O-CE1 3.22Å; N147-H149 VanDerWaalsContact O-CE1 3.26Å; N147-H149 PolarHBondContact O-NE2 3.4Å
148	L	57.2	Low	53.9	Low	100 Å²	100	85.9 Å²	85.9	52%	0.524	45%	0.454	S	S	.	.			trans	-74.3	136.5	169.8	-77.9	156.4	0	0	0	110	E145 V275	E145-L148 HydrophobicContact CG-CD1 4.41Å; E145-L148 PolarHBondContact O-N 3.49Å; L148-V275 VanDerWaalsContact C-CG2 3.5Å; L148-V275 HydrophobicContact CB-CB 4.21Å; L148-V275 HydrophobicContact CB-CG2 3.96Å; L148-V275 WeakPolarHBondContact O-CB 3.42Å; L148-V275 VanDerWaalsContact O-CG2 3.3Å; L148-V275 WeakPolarHBondContact O-CG2 3.2Å; L148-V275 PolarHBondContact O-N 3.23Å
149	H	61.2	Low	56	Low	40 Å²	40	86.4 Å²	86.4	19%	0.185	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-126.9	154.2	-176.6	-53.2	-41.4	0	0	0	111.1	N147 T151 P214 E272	N147-H149 PolarHBondContact O-CD2 2.87Å; N147-H149 PolarHBondContact O-CE1 3.22Å; N147-H149 VanDerWaalsContact O-CE1 3.26Å; N147-H149 PolarHBondContact O-NE2 3.4Å; H149-T151 PolarHBondContact O-N 2.71Å; H149-P214 VanDerWaalsContact CD2-CG 3.4Å; H149-P214 WeakPolarHBondContact CD2-CG 3.22Å; H149-P214 WeakPolarHBondContact NE2-CD 3.47Å; H149-P214 WeakPolarHBondContact NE2-CG 3.47Å; H149-E272 HydrophobicContact CB-CB 4.08Å
150	A	56.1	Low	58.4	Low	0 Å²	0	80.6 Å²	80.6	0%	0	42%	0.42	C	S	.	.			trans	-69.3	93.4	-178.7	0	0	0	0	0	112.8	D155 K225 I278	A150-D155 WeakPolarHBondContact CA-OD2 3.31Å; A150-D155 HydrophobicContact CB-CB 3.57Å; A150-K225 PolarHBondContact O-NZ 2.8Å; A150-I278 HydrophobicContact CB-CD1 3.25Å
151	T	56.2	Low	60.4	Low	102 Å²	102	78.3 Å²	78.3	63%	0.626	41%	0.408	S	S	*	.			trans	-105.4	-5	172.7	60.1	0	0	0	0	112.2	H149 D155	H149-T151 PolarHBondContact O-N 2.71Å; T151-D155 PolarHBondContact N-OD2 2.9Å
152	N	58.7	Low	62.5	Low	82 Å²	82	78.6 Å²	78.6	44%	0.439	41%	0.407	S	S	.	.	S	Bend	trans	-111.7	149.7	-177.8	-160.6	-22	0	0	0	111.2	N154 D155	N152-N154 PolarHBondContact O-N 3.01Å; N152-N154 PolarHBondContact OD1-N 3.35Å; N152-D155 WeakPolarHBondContact CB-OD2 3.2Å; N152-D155 PolarHBondContact N-OD2 3.17Å; N152-D155 VanDerWaalsContact O-CB 3.26Å; N152-D155 WeakPolarHBondContact O-CB 3.36Å; N152-D155 PolarHBondContact O-N 3.31Å
153	V	55.6	Low	64.9	Low	25 Å²	25	75.9 Å²	75.9	15%	0.152	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.7	178.1	168.9	0	0	0	0	111.8	V105 D155 V156 F222	V105-V153 HydrophobicContact CB-CB 4.11Å; V105-V153 HydrophobicContact CB-CG1 3.96Å; V105-V153 HydrophobicContact CB-CG2 3.66Å; V105-V153 HydrophobicContact CG1-CB 3.57Å; V105-V153 HydrophobicContact CG1-CG1 3.43Å; V105-V153 VanDerWaalsContact CG1-CG1 3.43Å; V105-V153 HydrophobicContact CG1-CG2 3.66Å; V105-V153 HydrophobicContact CG2-CB 3.83Å; V105-V153 HydrophobicContact CG2-CG1 3.4Å; V105-V153 HydrophobicContact CG2-CG2 3.32Å; V153-D155 PolarHBondContact O-N 3.5Å; V153-V156 WeakPolarHBondContact O-CG2 3.44Å; V153-F222 HydrophobicContact CB-CE2 4.49Å; V153-F222 HydrophobicContact CB-CZ 4.46Å; V153-F222 HydrophobicContact CG2-CD1 4.09Å; V153-F222 HydrophobicContact CG2-CD2 4.37Å; V153-F222 HydrophobicContact CG2-CE1 4.01Å; V153-F222 HydrophobicContact CG2-CE2 4.31Å; V153-F222 HydrophobicContact CG2-CG 4.29Å; V153-F222 HydrophobicContact CG2-CZ 4.14Å
154	N	56.6	Low	67.2	Low	132 Å²	132	67.6 Å²	67.6	71%	0.706	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-13.5	174.6	-62.6	-36.2	0	0	0	112.4	N152 V156	N152-N154 PolarHBondContact O-N 3.01Å; N152-N154 PolarHBondContact OD1-N 3.35Å; N154-V156 PolarHBondContact O-N 2.64Å
155	D	66.9	Low	69.4	Low	45 Å²	45	68 Å²	68	24%	0.241	36%	0.36	C	S	.	.			trans	-79.9	63.6	175.4	-53.7	-39.1	0	0	0	109.3	A150 T151 N152 V153 P226 I278	A150-D155 WeakPolarHBondContact CA-OD2 3.31Å; A150-D155 HydrophobicContact CB-CB 3.57Å; T151-D155 PolarHBondContact N-OD2 2.9Å; N152-D155 WeakPolarHBondContact CB-OD2 3.2Å; N152-D155 PolarHBondContact N-OD2 3.17Å; N152-D155 VanDerWaalsContact O-CB 3.26Å; N152-D155 WeakPolarHBondContact O-CB 3.36Å; N152-D155 PolarHBondContact O-N 3.31Å; V153-D155 PolarHBondContact O-N 3.5Å; D155-P226 WeakPolarHBondContact O-CD 3.4Å; D155-P226 WeakPolarHBondContact O-CG 3.41Å; D155-I278 HydrophobicContact CB-CD1 4.36Å
156	V	79.7	Confident	71.6	Confident	72 Å²	72	64 Å²	64	44%	0.436	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-102.9	151.9	172.3	-156.9	0	0	0	0	108.6	V153 N154	V153-V156 WeakPolarHBondContact O-CG2 3.44Å; N154-V156 PolarHBondContact O-N 2.64Å
157	Y	88.6	Confident	73.8	Confident	26 Å²	26	60.4 Å²	60.4	10%	0.102	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-54.5	136.9	173.4	-73	-64.7	0	0	0	112.4	P226 G240 R241 V257 L273 I278 P282	Y157-P226 HydrophobicContact CD2-CB 4.32Å; Y157-P226 HydrophobicContact CD2-CG 3.96Å; Y157-P226 HydrophobicContact CE1-CB 4.36Å; Y157-P226 HydrophobicContact CE2-CB 3.68Å; Y157-P226 HydrophobicContact CE2-CG 3.83Å; Y157-P226 HydrophobicContact CG-CG 4.45Å; Y157-G240 WeakPolarHBondContact CE2-O 3.22Å; Y157-G240 PolarHBondContact OH-O 2.93Å; Y157-R241 HydrophobicContact CE2-CB 4.24Å; Y157-V257 HydrophobicContact CD2-CG1 4.16Å; Y157-V257 HydrophobicContact CE1-CG2 4.29Å; Y157-V257 HydrophobicContact CE2-CB 4.4Å; Y157-V257 HydrophobicContact CE2-CG1 3.72Å; Y157-V257 HydrophobicContact CE2-CG2 3.99Å; Y157-L273 HydrophobicContact CE1-CD2 4.03Å; Y157-L273 WeakPolarHBondContact OH-CD2 3.49Å; Y157-I278 HydrophobicContact CD1-CG2 4.49Å; Y157-P282 HydrophobicContact CD1-CG 4.18Å; Y157-P282 HydrophobicContact CD2-CG 4.25Å; Y157-P282 HydrophobicContact CG-CG 3.82Å
158	P	87.3	Confident	76	Confident	51 Å²	51	63.1 Å²	63.1	33%	0.331	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-63.8	156.3	172.9	-7.1	14.7	0	0	0	111.6	I278 K279 P281	P158-I278 WeakPolarHBondContact CD-O 3.26Å; P158-K279 WeakPolarHBondContact CG-O 3.36Å; P158-P281 HydrophobicContact CB-CG 4.15Å; P158-P281 HydrophobicContact CG-CG 4.38Å
159	K	81.9	Confident	77.7	Confident	127 Å²	127	63.4 Å²	63.4	55%	0.552	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-64.7	137.1	-179.6	-62.2	-171.7	-179.8	-176.5	0	112.1	L161 S162	K159-L161 VanDerWaalsContact C-N 3.29Å; K159-L161 PolarHBondContact O-N 3.2Å; K159-S162 PolarHBondContact O-OG 3.1Å
160	Q	86.1	Confident	79.2	Confident	26 Å²	26	65.5 Å²	65.5	12%	0.121	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-73	-16.6	-176.1	-54.8	-179.2	-78.1	0	0	114.2	S162 L163 P282 S284 L285	Q160-S162 PolarHBondContact O-N 3.46Å; Q160-S162 VanDerWaalsContact O-N 3.07Å; Q160-L163 HydrophobicContact CB-CD1 4.24Å; Q160-L163 WeakPolarHBondContact O-CB 3.42Å; Q160-L163 WeakPolarHBondContact O-CG 3.18Å; Q160-L163 PolarHBondContact O-N 2.98Å; Q160-P282 HydrophobicContact CG-CB 4.21Å; Q160-P282 HydrophobicContact CG-CG 4.43Å; Q160-P282 PolarHBondContact NE2-O 3.29Å; Q160-S284 VanDerWaalsContact NE2-C 3.3Å; Q160-S284 PolarHBondContact NE2-O 3.22Å; Q160-L285 HydrophobicContact CB-CD2 3.54Å; Q160-L285 HydrophobicContact CG-CD2 4.5Å
161	L	78.1	Confident	80.8	Confident	63 Å²	63	72 Å²	72	33%	0.33	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-56.5	-28.5	179.4	-116.3	74.9	0	0	0	112.8	K159 L163 L164 K320	K159-L161 VanDerWaalsContact C-N 3.29Å; K159-L161 PolarHBondContact O-N 3.2Å; L161-L163 PolarHBondContact O-N 3.41Å; L161-L164 HydrophobicContact CG-CD1 4.12Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 WeakPolarHBondContact O-CG 3.33Å; L161-L164 PolarHBondContact O-N 3.37Å; L161-K320 HydrophobicContact CD1-CB 4.47Å; L161-K320 HydrophobicContact CD2-CB 4.18Å; L161-K320 HydrophobicContact CD2-CD 4.48Å
162	S	82.7	Confident	82.4	Confident	59 Å²	59	70.8 Å²	70.8	41%	0.413	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-61.2	-30.8	173.9	58.7	0	0	0	0	113.1	K159 Q160 L164 N165	K159-S162 PolarHBondContact O-OG 3.1Å; Q160-S162 PolarHBondContact O-N 3.46Å; Q160-S162 VanDerWaalsContact O-N 3.07Å; S162-L164 PolarHBondContact O-N 3.26Å; S162-N165 PolarHBondContact O-N 2.74Å
163	L	88.3	Confident	84	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-66.9	-22.9	178.4	-60	177.6	0	0	0	112.7	Q160 L161 N165 E166 W195 P281 P282 L283	Q160-L163 HydrophobicContact CB-CD1 4.24Å; Q160-L163 WeakPolarHBondContact O-CB 3.42Å; Q160-L163 WeakPolarHBondContact O-CG 3.18Å; Q160-L163 PolarHBondContact O-N 2.98Å; L161-L163 PolarHBondContact O-N 3.41Å; L163-N165 PolarHBondContact O-N 3.17Å; L163-N165 VanDerWaalsContact O-N 3.12Å; L163-E166 WeakPolarHBondContact O-CB 3.48Å; L163-E166 PolarHBondContact O-N 3.19Å; L163-W195 HydrophobicContact CB-CH2 4.2Å; L163-W195 HydrophobicContact CB-CZ2 3.69Å; L163-P281 HydrophobicContact CD1-CB 4.06Å; L163-P281 HydrophobicContact CD2-CB 4.1Å; L163-P281 HydrophobicContact CD2-CG 4.01Å; L163-P281 HydrophobicContact CG-CB 3.99Å; L163-P281 HydrophobicContact CG-CG 4.25Å; L163-P282 WeakPolarHBondContact CD1-O 3.36Å; L163-L283 HydrophobicContact CD1-CD2 3.88Å; L163-L283 HydrophobicContact CD2-CD2 3.77Å
164	L	88.3	Confident	85.9	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-62.3	-22.2	-179	-61.3	-175.6	0	0	0	113.3	L161 S162 E166 I167 K169 L285 I317 K320	L161-L164 HydrophobicContact CG-CD1 4.12Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 WeakPolarHBondContact O-CG 3.33Å; L161-L164 PolarHBondContact O-N 3.37Å; S162-L164 PolarHBondContact O-N 3.26Å; L164-E166 VanDerWaalsContact C-N 3.31Å; L164-I167 HydrophobicContact CD2-CD1 3.68Å; L164-K169 PolarHBondContact O-NZ 2.89Å; L164-K169 VanDerWaalsContact O-NZ 3.11Å; L164-L285 HydrophobicContact CD2-CD1 3.52Å; L164-L285 HydrophobicContact CD2-CD2 4.47Å; L164-I317 HydrophobicContact CD1-CD1 4.32Å; L164-I317 HydrophobicContact CD2-CD1 3.42Å; L164-I317 VanDerWaalsContact CD2-CD1 3.42Å; L164-I317 HydrophobicContact CG-CD1 4.44Å; L164-K320 HydrophobicContact CD1-CD 3.58Å; L164-K320 HydrophobicContact CD1-CG 3.91Å
165	N	89.4	Confident	87.8	Confident	141 Å²	141	61.3 Å²	61.3	75%	0.754	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-77.4	-18.8	175.5	-62.4	-21.7	0	0	0	112.3	S162 L163	S162-N165 PolarHBondContact O-N 2.74Å; L163-N165 PolarHBondContact O-N 3.17Å; L163-N165 VanDerWaalsContact O-N 3.12Å
166	E	92.6	Very high	89.1	Confident	52 Å²	52	62.3 Å²	62.3	24%	0.243	34%	0.335	C	S	.	.	S	Bend	trans	-90.5	-8.9	178.6	-58.4	-178.7	-153.3	0	0	113.3	L163 L164 E168 K194 R280	L163-E166 WeakPolarHBondContact O-CB 3.48Å; L163-E166 PolarHBondContact O-N 3.19Å; L164-E166 VanDerWaalsContact C-N 3.31Å; E166-E168 PolarHBondContact O-N 2.81Å; E166-K194 IonicContact OE2-NZ 3.77Å; E166-R280 IonicContact OE1-CZ 3.02Å; E166-R280 IonicContact OE1-NH1 3.56Å; E166-R280 PolarHBondContact OE1-NH1 3.45Å; E166-R280 IonicContact OE1-NH2 3.53Å; E166-R280 PolarHBondContact OE1-NH2 3.1Å; E166-R280 IonicContact OE2-CZ 3.54Å; E166-R280 IonicContact OE2-NH1 3.63Å; E166-R280 IonicContact OE2-NH2 2.72Å; E166-R280 PolarHBondContact OE2-NH2 3.22Å
167	I	92.7	Very high	89.9	Confident	11 Å²	11	59 Å²	59	6%	0.056	32%	0.315	C	S	.	.			trans	-76.9	114.9	178.4	-58.4	176.9	0	0	0	108.8	L164 K169 F175 T192 W195 L285 I317	L164-I167 HydrophobicContact CD2-CD1 3.68Å; I167-K169 HydrophobicContact CG2-CG 4.13Å; I167-K169 PolarHBondContact O-N 2.85Å; I167-K169 PolarHBondContact O-NZ 2.9Å; I167-F175 HydrophobicContact CD1-CD2 4.44Å; I167-F175 HydrophobicContact CD1-CE1 4.29Å; I167-F175 HydrophobicContact CD1-CE2 3.94Å; I167-F175 HydrophobicContact CD1-CZ 3.86Å; I167-F175 HydrophobicContact CG2-CB 3.49Å; I167-F175 VanDerWaalsContact CG2-CB 3.49Å; I167-F175 HydrophobicContact CG2-CD1 3.7Å; I167-F175 HydrophobicContact CG2-CD2 3.41Å; I167-F175 VanDerWaalsContact CG2-CD2 3.41Å; I167-F175 HydrophobicContact CG2-CE1 4.23Å; I167-F175 HydrophobicContact CG2-CE2 3.97Å; I167-F175 HydrophobicContact CG2-CG 3.24Å; I167-F175 HydrophobicContact CG2-CZ 4.36Å; I167-T192 HydrophobicContact CG1-CG2 4.43Å; I167-W195 HydrophobicContact CD1-CH2 3.72Å; I167-W195 HydrophobicContact CD1-CZ2 4.15Å; I167-W195 HydrophobicContact CG1-CH2 3.67Å; I167-W195 HydrophobicContact CG1-CZ2 3.59Å; I167-L285 HydrophobicContact CD1-CD1 4.31Å; I167-I317 HydrophobicContact CD1-CD1 4.38Å
168	E	92.3	Very high	90.2	Very high	169 Å²	169	61.4 Å²	61.4	79%	0.79	32%	0.324	S	S	*	.			trans	-68.4	115.9	167.6	-68	173	-162.2	0	0	109.1	E166 F175	E166-E168 PolarHBondContact O-N 2.81Å; E168-F175 WeakPolarHBondContact O-CB 3.32Å
169	K	93.2	Very high	90.5	Very high	106 Å²	106	59.2 Å²	59.2	46%	0.461	31%	0.31	S	S	.	.			trans	-106.9	144.6	179.5	-58.4	179.7	-170.8	70.4	0	109.7	L164 I167 L174 F175	L164-K169 PolarHBondContact O-NZ 2.89Å; L164-K169 VanDerWaalsContact O-NZ 3.11Å; I167-K169 HydrophobicContact CG2-CG 4.13Å; I167-K169 PolarHBondContact O-N 2.85Å; I167-K169 PolarHBondContact O-NZ 2.9Å; K169-L174 CarbonylContact C-O 3.53Å; K169-L174 WeakPolarHBondContact CA-O 3.34Å; K169-F175 HydrophobicContact CG-CB 4.35Å; K169-F175 HydrophobicContact CG-CD1 4.42Å
170	E	92.6	Very high	91	Very high	84 Å²	84	54.2 Å²	54.2	39%	0.393	29%	0.29	S	S	.	.			trans	-69	169.9	167.5	-65.8	175.8	-148.2	0	0	110.3	D172 G173 L174 K335	E170-D172 WeakPolarHBondContact CB-OD1 3.16Å; E170-D172 PolarHBondContact O-N 2.87Å; E170-D172 VanDerWaalsContact O-N 3.16Å; E170-G173 PolarHBondContact O-N 3.44Å; E170-L174 PolarHBondContact N-O 3.42Å; E170-K335 IonicContact OE1-NZ 2.81Å; E170-K335 PolarHBondContact OE1-NZ 3.4Å; E170-K335 WeakPolarHBondContact OE2-CE 3.3Å; E170-K335 IonicContact OE2-NZ 2.75Å; E170-K335 PolarHBondContact OE2-NZ 3.46Å
171	S	89.5	Confident	91.2	Very high	138 Å²	138	55.9 Å²	55.9	97%	0.965	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24	-176.5	50.8	0	0	0	0	114.2	G173	S171-G173 VanDerWaalsContact C-N 3.29Å
172	D	88.8	Confident	91.6	Very high	75 Å²	75	54.5 Å²	54.5	40%	0.401	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.1	175.7	59.2	11.4	0	0	0	113.3	E170 L174	E170-D172 WeakPolarHBondContact CB-OD1 3.16Å; E170-D172 PolarHBondContact O-N 2.87Å; E170-D172 VanDerWaalsContact O-N 3.16Å; D172-L174 VanDerWaalsContact C-N 3.28Å; D172-L174 PolarHBondContact O-N 2.69Å; D172-L174 VanDerWaalsContact OD1-CB 3.23Å; D172-L174 WeakPolarHBondContact OD1-CB 3.44Å; D172-L174 WeakPolarHBondContact OD1-CG 3.07Å; D172-L174 PolarHBondContact OD1-N 3.43Å; D172-L174 VanDerWaalsContact OD2-CD1 3.26Å; D172-L174 WeakPolarHBondContact OD2-CD1 3.31Å
173	G	92.3	Very high	91.6	Very high	27 Å²	27	55.2 Å²	55.2	28%	0.278	29%	0.286	S	S	.	.	S	Bend	trans	79.9	2.9	-177.8	0	0	0	0	0	114.5	E170 S171	E170-G173 PolarHBondContact O-N 3.44Å; S171-G173 VanDerWaalsContact C-N 3.29Å
174	L	95.5	Very high	91.4	Very high	9 Å²	9	57.3 Å²	57.3	5%	0.047	30%	0.299	C	S	.	.			trans	-75.4	153.2	172.2	-65	171	0	0	0	110.7	K169 E170 D172 A314 V315 Q316 F330 K335	K169-L174 CarbonylContact C-O 3.53Å; K169-L174 WeakPolarHBondContact CA-O 3.34Å; E170-L174 PolarHBondContact N-O 3.42Å; D172-L174 VanDerWaalsContact C-N 3.28Å; D172-L174 PolarHBondContact O-N 2.69Å; D172-L174 VanDerWaalsContact OD1-CB 3.23Å; D172-L174 WeakPolarHBondContact OD1-CB 3.44Å; D172-L174 WeakPolarHBondContact OD1-CG 3.07Å; D172-L174 PolarHBondContact OD1-N 3.43Å; D172-L174 VanDerWaalsContact OD2-CD1 3.26Å; D172-L174 WeakPolarHBondContact OD2-CD1 3.31Å; L174-A314 HydrophobicContact CD1-CB 4.48Å; L174-V315 WeakPolarHBondContact CA-O 3.1Å; L174-Q316 HydrophobicContact CD2-CB 3.79Å; L174-F330 HydrophobicContact CD2-CD2 3.4Å; L174-F330 VanDerWaalsContact CD2-CD2 3.4Å; L174-F330 HydrophobicContact CD2-CE2 3.5Å; L174-F330 HydrophobicContact CD2-CG 4.15Å; L174-F330 HydrophobicContact CD2-CZ 4.31Å; L174-K335 HydrophobicContact CD1-CD 3.87Å
175	F	96.3	Very high	91.2	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153	166.1	63.1	-82.4	0	0	0	110	I167 E168 K169 A177 I190 T192 A314 V315 I317	I167-F175 HydrophobicContact CD1-CD2 4.44Å; I167-F175 HydrophobicContact CD1-CE1 4.29Å; I167-F175 HydrophobicContact CD1-CE2 3.94Å; I167-F175 HydrophobicContact CD1-CZ 3.86Å; I167-F175 HydrophobicContact CG2-CB 3.49Å; I167-F175 VanDerWaalsContact CG2-CB 3.49Å; I167-F175 HydrophobicContact CG2-CD1 3.7Å; I167-F175 HydrophobicContact CG2-CD2 3.41Å; I167-F175 VanDerWaalsContact CG2-CD2 3.41Å; I167-F175 HydrophobicContact CG2-CE1 4.23Å; I167-F175 HydrophobicContact CG2-CE2 3.97Å; I167-F175 HydrophobicContact CG2-CG 3.24Å; I167-F175 HydrophobicContact CG2-CZ 4.36Å; E168-F175 WeakPolarHBondContact O-CB 3.32Å; K169-F175 HydrophobicContact CG-CB 4.35Å; K169-F175 HydrophobicContact CG-CD1 4.42Å; F175-A177 HydrophobicContact CD2-CB 4.14Å; F175-A177 HydrophobicContact CE2-CB 3.84Å; F175-I190 HydrophobicContact CE2-CD1 4.14Å; F175-I190 HydrophobicContact CZ-CD1 4Å; F175-T192 HydrophobicContact CD2-CG2 4.38Å; F175-T192 HydrophobicContact CE2-CG2 4.47Å; F175-A314 CarbonylContact O-C 3.52Å; F175-A314 WeakPolarHBondContact O-CA 3.33Å; F175-V315 HydrophobicContact CD1-CB 4.29Å; F175-V315 WeakPolarHBondContact CD1-O 3.47Å; F175-V315 HydrophobicContact CD2-CB 4.45Å; F175-V315 HydrophobicContact CE1-CB 3.82Å; F175-V315 HydrophobicContact CE1-CG1 3.82Å; F175-V315 WeakPolarHBondContact CE1-O 3.46Å; F175-V315 HydrophobicContact CE2-CB 4.01Å; F175-V315 HydrophobicContact CE2-CG1 4.36Å; F175-V315 HydrophobicContact CZ-CB 3.66Å; F175-V315 HydrophobicContact CZ-CG1 3.6Å; F175-V315 PolarHBondContact N-O 3.37Å; F175-V315 PolarHBondContact O-N 3.35Å; F175-I317 HydrophobicContact CE1-CD1 3.85Å; F175-I317 HydrophobicContact CE1-CG1 3.95Å; F175-I317 HydrophobicContact CZ-CD1 3.99Å; F175-I317 HydrophobicContact CZ-CG1 4.22Å
176	I	95.7	Very high	90.8	Very high	67 Å²	67	54.4 Å²	54.4	34%	0.344	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.3	176.1	-59.2	-57.8	0	0	0	109.4	M312 A314 P332	I176-M312 HydrophobicContact CG2-CE 3.49Å; I176-M312 VanDerWaalsContact CG2-CE 3.49Å; I176-A314 HydrophobicContact CD1-CB 3.95Å; I176-P332 HydrophobicContact CD1-CB 3.98Å
177	A	96.6	Very high	90.6	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.2	175.4	0	0	0	0	0	110.9	F175 I190 T191 V313 V315	F175-A177 HydrophobicContact CD2-CB 4.14Å; F175-A177 HydrophobicContact CE2-CB 3.84Å; A177-I190 HydrophobicContact CB-CB 4.19Å; A177-I190 HydrophobicContact CB-CD1 4.34Å; A177-T191 CarbonylContact C-O 3.55Å; A177-T191 VanDerWaalsContact CA-O 3.3Å; A177-T191 WeakPolarHBondContact CA-O 3.31Å; A177-T191 WeakPolarHBondContact CB-O 3.47Å; A177-V313 PolarHBondContact N-O 2.94Å; A177-V313 PolarHBondContact O-N 2.95Å; A177-V313 VanDerWaalsContact O-O 3.11Å; A177-V315 HydrophobicContact CB-CG2 3.74Å
178	R	94.9	Very high	90.4	Very high	77 Å²	77	55.7 Å²	55.7	29%	0.291	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133	168.4	-175.1	175.4	61.2	79.7	-4.5	108	S180 I190 T191 D196 F311 M312	R178-S180 PolarHBondContact O-N 2.91Å; R178-I190 CarbonylContact O-C 3.58Å; R178-I190 VanDerWaalsContact O-CA 3.27Å; R178-I190 WeakPolarHBondContact O-CA 3.45Å; R178-T191 HydrophobicContact CB-CG2 4.1Å; R178-T191 PolarHBondContact N-O 3.11Å; R178-T191 VanDerWaalsContact NH2-CG2 3.26Å; R178-T191 PolarHBondContact O-N 3.49Å; R178-D196 IonicContact CZ-OD1 2.68Å; R178-D196 IonicContact CZ-OD2 2.74Å; R178-D196 IonicContact NE-OD2 3.35Å; R178-D196 PolarHBondContact NE-OD2 3.4Å; R178-D196 VanDerWaalsContact NH2-CG 3.25Å; R178-D196 IonicContact NH2-OD1 3.62Å; R178-D196 PolarHBondContact NH2-OD1 3.29Å; R178-D196 IonicContact NH2-OD2 3.81Å; R178-D196 PolarHBondContact NH2-OD2 3.05Å; R178-F311 CarbonylContact C-O 3.49Å; R178-F311 WeakPolarHBondContact CA-O 3.47Å; R178-M312 HydrophobicContact CB-SD 3.63Å; R178-M312 HydrophobicContact CG-SD 3.88Å
179	I	93.4	Very high	90.4	Very high	6 Å²	6	48 Å²	48	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	110.3	166.3	-63.2	167	0	0	0	106.6	W182 F188 F189 I190 V306 F311 V313	I179-W182 HydrophobicContact CD1-CE3 4.05Å; I179-W182 HydrophobicContact CD1-CZ3 4.12Å; I179-W182 HydrophobicContact CG2-CB 4.16Å; I179-W182 HydrophobicContact CG2-CE3 4.12Å; I179-F188 HydrophobicContact CG1-CD2 4.22Å; I179-F188 HydrophobicContact CG1-CE2 4.4Å; I179-F188 HydrophobicContact CG2-CD2 4.28Å; I179-F189 CarbonylContact C-O 3.56Å; I179-F189 VanDerWaalsContact CA-O 3.28Å; I179-F189 WeakPolarHBondContact CA-O 3.36Å; I179-I190 HydrophobicContact CG1-CG2 4.16Å; I179-V306 HydrophobicContact CD1-CB 3.88Å; I179-V306 HydrophobicContact CD1-CG1 3.76Å; I179-V306 HydrophobicContact CD1-CG2 4.25Å; I179-F311 HydrophobicContact CB-CB 4.06Å; I179-F311 HydrophobicContact CB-CD1 4Å; I179-F311 HydrophobicContact CD1-CD1 4.44Å; I179-F311 HydrophobicContact CG2-CD1 4.01Å; I179-F311 PolarHBondContact N-O 3.4Å; I179-V313 HydrophobicContact CD1-CG1 4.09Å; I179-V313 HydrophobicContact CD1-CG2 4.24Å; I179-V313 HydrophobicContact CG1-CG2 4Å
180	S	90.8	Very high	90.5	Very high	21 Å²	21	43 Å²	43	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-35.6	-178	45.8	0	0	0	0	112.3	R178 F189 H259 S284	R178-S180 PolarHBondContact O-N 2.91Å; S180-F189 PolarHBondContact N-O 2.72Å; S180-F189 WeakPolarHBondContact OG-CB 3.32Å; S180-F189 PolarHBondContact OG-O 2.96Å; S180-H259 WeakPolarHBondContact CB-O 3.48Å; S180-H259 PolarHBondContact OG-O 3.45Å; S180-S284 PolarHBondContact OG-OG 3.17Å
181	Q	91	Very high	90.7	Very high	62 Å²	62	39 Å²	39	29%	0.29	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	133.2	175.2	-179.6	62.6	13.3	0	0	109.2	F188 F189	Q181-F188 CarbonylContact O-C 3.46Å; Q181-F188 WeakPolarHBondContact O-CA 3.39Å; Q181-F188 WeakPolarHBondContact O-CB 3.36Å; Q181-F189 HydrophobicContact CB-CB 4.24Å; Q181-F189 HydrophobicContact CB-CD2 4.06Å; Q181-F189 HydrophobicContact CG-CD2 4.37Å; Q181-F189 PolarHBondContact O-N 3.43Å
182	W	86	Confident	91	Very high	34 Å²	34	33 Å²	33	13%	0.129	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.5	173.6	-177.3	-86.2	0	0	0	110	I179 P185 F188 C302 L303 V306 F311 L329	I179-W182 HydrophobicContact CD1-CE3 4.05Å; I179-W182 HydrophobicContact CD1-CZ3 4.12Å; I179-W182 HydrophobicContact CG2-CB 4.16Å; I179-W182 HydrophobicContact CG2-CE3 4.12Å; W182-P185 HydrophobicContact CH2-CG 4.32Å; W182-P185 HydrophobicContact CZ2-CG 3.98Å; W182-F188 HydrophobicContact CD2-CB 4.43Å; W182-F188 HydrophobicContact CE3-CB 3.84Å; W182-F188 HydrophobicContact CE3-CD2 4.41Å; W182-F188 HydrophobicContact CE3-CG 4.03Å; W182-F188 HydrophobicContact CZ3-CB 4.34Å; W182-F188 HydrophobicContact CZ3-CD1 4.16Å; W182-F188 HydrophobicContact CZ3-CD2 4.41Å; W182-F188 HydrophobicContact CZ3-CG 4.06Å; W182-C302 HydrophobicContact CH2-CB 4.29Å; W182-C302 VanDerWaalsContact CH2-SG 3.57Å; W182-C302 HydrophobicContact CZ2-CB 4.2Å; W182-L303 HydrophobicContact CD2-CD1 4.27Å; W182-L303 HydrophobicContact CG-CD1 3.92Å; W182-L303 HydrophobicContact CZ2-CB 4.43Å; W182-V306 HydrophobicContact CD2-CG2 4.46Å; W182-V306 HydrophobicContact CE3-CG2 4.14Å; W182-V306 HydrophobicContact CH2-CG2 4.34Å; W182-V306 HydrophobicContact CZ3-CG1 4.45Å; W182-V306 HydrophobicContact CZ3-CG2 4.08Å; W182-F311 HydrophobicContact CB-CE1 4.14Å; W182-L329 HydrophobicContact CZ3-CD1 4.49Å
183	E	83.5	Confident	91.2	Very high	73 Å²	73	36 Å²	36	34%	0.341	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-58.9	168.6	-53.2	176.5	180	0	0	109.7	R187	E183-R187 WeakPolarHBondContact CB-O 3.49Å; E183-R187 PolarHBondContact N-O 3.43Å; E183-R187 IonicContact OE1-CZ 2.94Å; E183-R187 IonicContact OE1-NH1 2.91Å; E183-R187 PolarHBondContact OE1-NH1 3.02Å; E183-R187 WeakPolarHBondContact OE2-CD 3.26Å; E183-R187 WeakPolarHBondContact OE2-CG 2.99Å; E183-R187 IonicContact OE2-CZ 3.43Å; E183-R187 VanDerWaalsContact OE2-CZ 3.3Å; E183-R187 IonicContact OE2-NE 3.37Å; E183-R187 PolarHBondContact OE2-NE 3.07Å; E183-R187 IonicContact OE2-NH1 3.65Å; E183-R187 PolarHBondContact OE2-NH1 3.21Å
184	T	83.9	Confident	91.4	Very high	45 Å²	45	39.5 Å²	39.5	28%	0.276	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	165.8	177.3	65.3	0	0	0	0	109.9	N186 R187	T184-N186 PolarHBondContact O-N 2.79Å; T184-N186 VanDerWaalsContact O-N 3.08Å; T184-N186 PolarHBondContact OG1-N 2.98Å; T184-R187 PolarHBondContact N-O 2.84Å; T184-R187 CarbonylContact O-C 3.53Å; T184-R187 PolarHBondContact O-N 3.29Å; T184-R187 PolarHBondContact OG1-N 2.77Å; T184-R187 VanDerWaalsContact OG1-N 3.09Å
185	P	83.6	Confident	91.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.1	168.2	-25.3	36	0	0	0	113.2	W182 K288 V289 D299 C302	W182-P185 HydrophobicContact CH2-CG 4.32Å; W182-P185 HydrophobicContact CZ2-CG 3.98Å; P185-K288 CarbonylContact O-C 3.6Å; P185-K288 WeakPolarHBondContact O-CA 3.44Å; P185-V289 HydrophobicContact CB-CB 4.27Å; P185-V289 HydrophobicContact CB-CG2 4.1Å; P185-V289 PolarHBondContact O-N 3.43Å; P185-D299 WeakPolarHBondContact CD-OD1 2.99Å; P185-D299 WeakPolarHBondContact CD-OD2 3.48Å; P185-D299 HydrophobicContact CG-CB 4.23Å; P185-D299 VanDerWaalsContact CG-OD1 3.31Å; P185-D299 WeakPolarHBondContact CG-OD1 3.25Å; P185-C302 HydrophobicContact CG-CB 4.03Å
186	N	82.6	Confident	91.3	Very high	81 Å²	81	40.4 Å²	40.4	43%	0.433	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.9	178	-71.8	-46.7	0	0	0	114.2	T184 K288	T184-N186 PolarHBondContact O-N 2.79Å; T184-N186 VanDerWaalsContact O-N 3.08Å; T184-N186 PolarHBondContact OG1-N 2.98Å; N186-K288 WeakPolarHBondContact O-CB 3.47Å
187	R	86.9	Confident	91.4	Very high	89 Å²	89	44.3 Å²	44.3	34%	0.336	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	107.3	-179.9	-173.2	170.6	177.9	-133.9	9.6	110.3	E183 T184 M286 C287	E183-R187 WeakPolarHBondContact CB-O 3.49Å; E183-R187 PolarHBondContact N-O 3.43Å; E183-R187 IonicContact OE1-CZ 2.94Å; E183-R187 IonicContact OE1-NH1 2.91Å; E183-R187 PolarHBondContact OE1-NH1 3.02Å; E183-R187 WeakPolarHBondContact OE2-CD 3.26Å; E183-R187 WeakPolarHBondContact OE2-CG 2.99Å; E183-R187 IonicContact OE2-CZ 3.43Å; E183-R187 VanDerWaalsContact OE2-CZ 3.3Å; E183-R187 IonicContact OE2-NE 3.37Å; E183-R187 PolarHBondContact OE2-NE 3.07Å; E183-R187 IonicContact OE2-NH1 3.65Å; E183-R187 PolarHBondContact OE2-NH1 3.21Å; T184-R187 PolarHBondContact N-O 2.84Å; T184-R187 CarbonylContact O-C 3.53Å; T184-R187 PolarHBondContact O-N 3.29Å; T184-R187 PolarHBondContact OG1-N 2.77Å; T184-R187 VanDerWaalsContact OG1-N 3.09Å; R187-M286 HydrophobicContact CG-SD 4.4Å; R187-C287 WeakPolarHBondContact CA-O 3.48Å
188	F	88.2	Confident	91.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	172.2	170.7	63.7	-81	0	0	0	108.4	I179 Q181 W182 I190 M286 C287 V289 V327 L329	I179-F188 HydrophobicContact CG1-CD2 4.22Å; I179-F188 HydrophobicContact CG1-CE2 4.4Å; I179-F188 HydrophobicContact CG2-CD2 4.28Å; Q181-F188 CarbonylContact O-C 3.46Å; Q181-F188 WeakPolarHBondContact O-CA 3.39Å; Q181-F188 WeakPolarHBondContact O-CB 3.36Å; W182-F188 HydrophobicContact CD2-CB 4.43Å; W182-F188 HydrophobicContact CE3-CB 3.84Å; W182-F188 HydrophobicContact CE3-CD2 4.41Å; W182-F188 HydrophobicContact CE3-CG 4.03Å; W182-F188 HydrophobicContact CZ3-CB 4.34Å; W182-F188 HydrophobicContact CZ3-CD1 4.16Å; W182-F188 HydrophobicContact CZ3-CD2 4.41Å; W182-F188 HydrophobicContact CZ3-CG 4.06Å; F188-I190 HydrophobicContact CD2-CG2 3.83Å; F188-I190 HydrophobicContact CE2-CG2 3.55Å; F188-M286 CarbonylContact O-C 3.16Å; F188-C287 HydrophobicContact CD1-CB 4.26Å; F188-C287 WeakPolarHBondContact CD1-O 3.4Å; F188-C287 HydrophobicContact CD2-CB 4.04Å; F188-C287 HydrophobicContact CE1-CB 3.83Å; F188-C287 HydrophobicContact CE2-CB 3.6Å; F188-C287 HydrophobicContact CG-CB 4.36Å; F188-C287 HydrophobicContact CZ-CB 3.49Å; F188-C287 VanDerWaalsContact CZ-CB 3.49Å; F188-C287 PolarHBondContact N-O 3.1Å; F188-C287 VanDerWaalsContact N-O 3.08Å; F188-C287 PolarHBondContact O-N 3.21Å; F188-V289 HydrophobicContact CD1-CG2 4.5Å; F188-V289 HydrophobicContact CE1-CG2 3.58Å; F188-V289 HydrophobicContact CZ-CG2 4.01Å; F188-V327 HydrophobicContact CE1-CG2 4.41Å; F188-V327 HydrophobicContact CE2-CG2 4.3Å; F188-V327 HydrophobicContact CZ-CG2 3.53Å; F188-L329 HydrophobicContact CE2-CD1 4.35Å; F188-L329 HydrophobicContact CE2-CD2 4.29Å; F188-L329 HydrophobicContact CZ-CD1 4.03Å; F188-L329 HydrophobicContact CZ-CD2 4.16Å; F188-L329 HydrophobicContact CZ-CG 4.42Å
189	F	93.7	Very high	91.5	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.5	-177	-65.3	-99	0	0	0	110.9	I179 S180 Q181 H255 G260 S284 L285 M286	I179-F189 CarbonylContact C-O 3.56Å; I179-F189 VanDerWaalsContact CA-O 3.28Å; I179-F189 WeakPolarHBondContact CA-O 3.36Å; S180-F189 PolarHBondContact N-O 2.72Å; S180-F189 WeakPolarHBondContact OG-CB 3.32Å; S180-F189 PolarHBondContact OG-O 2.96Å; Q181-F189 HydrophobicContact CB-CB 4.24Å; Q181-F189 HydrophobicContact CB-CD2 4.06Å; Q181-F189 HydrophobicContact CG-CD2 4.37Å; Q181-F189 PolarHBondContact O-N 3.43Å; F189-H255 AromaticContact CZ-CE1 3.9Å; F189-G260 WeakPolarHBondContact CD2-O 3.5Å; F189-G260 WeakPolarHBondContact CE2-O 3.45Å; F189-S284 WeakPolarHBondContact CB-OG 3.42Å; F189-L285 CarbonylContact C-O 3.55Å; F189-L285 VanDerWaalsContact CA-O 3.29Å; F189-L285 WeakPolarHBondContact CA-O 3.26Å; F189-M286 HydrophobicContact CD1-CB 3.99Å; F189-M286 HydrophobicContact CE1-CB 3.63Å; F189-M286 HydrophobicContact CE1-CG 3.96Å; F189-M286 HydrophobicContact CE1-SD 4.38Å; F189-M286 HydrophobicContact CZ-CB 4.19Å; F189-M286 HydrophobicContact CZ-CG 3.99Å; F189-M286 HydrophobicContact CZ-SD 4.08Å
190	I	95.6	Very high	91.6	Very high	1 Å²	1	50 Å²	50	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.8	176.9	69.1	176.9	0	0	0	111.7	F175 A177 R178 I179 F188 S284 L285 C287 V315	F175-I190 HydrophobicContact CE2-CD1 4.14Å; F175-I190 HydrophobicContact CZ-CD1 4Å; A177-I190 HydrophobicContact CB-CB 4.19Å; A177-I190 HydrophobicContact CB-CD1 4.34Å; R178-I190 CarbonylContact O-C 3.58Å; R178-I190 VanDerWaalsContact O-CA 3.27Å; R178-I190 WeakPolarHBondContact O-CA 3.45Å; I179-I190 HydrophobicContact CG1-CG2 4.16Å; F188-I190 HydrophobicContact CD2-CG2 3.83Å; F188-I190 HydrophobicContact CE2-CG2 3.55Å; I190-S284 CarbonylContact O-C 3.58Å; I190-S284 WeakPolarHBondContact O-CA 3.27Å; I190-L285 HydrophobicContact CG1-CB 3.91Å; I190-L285 PolarHBondContact N-O 3.25Å; I190-L285 PolarHBondContact O-N 3.22Å; I190-C287 VanDerWaalsContact CD1-SG 3.6Å; I190-V315 HydrophobicContact CD1-CG1 4.07Å; I190-V315 HydrophobicContact CD1-CG2 4.42Å
191	T	95.3	Very high	92	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	163.7	173.5	-178.9	0	0	0	0	110.7	A177 R178 D196 L283	A177-T191 CarbonylContact C-O 3.55Å; A177-T191 VanDerWaalsContact CA-O 3.3Å; A177-T191 WeakPolarHBondContact CA-O 3.31Å; A177-T191 WeakPolarHBondContact CB-O 3.47Å; R178-T191 HydrophobicContact CB-CG2 4.1Å; R178-T191 PolarHBondContact N-O 3.11Å; R178-T191 VanDerWaalsContact NH2-CG2 3.26Å; R178-T191 PolarHBondContact O-N 3.49Å; T191-D196 WeakPolarHBondContact CG2-OD1 3.47Å; T191-D196 PolarHBondContact OG1-OD1 2.86Å; T191-L283 PolarHBondContact OG1-O 3.29Å
192	T	95.7	Very high	92.2	Very high	13 Å²	13	54 Å²	54	8%	0.08	24%	0.243	C	C	.	.			trans	-109.8	161.3	175.3	69.2	0	0	0	0	110.3	I167 F175 K194 W195 D196	I167-T192 HydrophobicContact CG1-CG2 4.43Å; F175-T192 HydrophobicContact CD2-CG2 4.38Å; F175-T192 HydrophobicContact CE2-CG2 4.47Å; T192-K194 PolarHBondContact O-N 3.36Å; T192-W195 HydrophobicContact CG2-CD2 4.14Å; T192-W195 HydrophobicContact CG2-CE3 3.9Å; T192-W195 HydrophobicContact CG2-CH2 4.01Å; T192-W195 HydrophobicContact CG2-CZ2 4.27Å; T192-W195 HydrophobicContact CG2-CZ3 3.84Å; T192-W195 PolarHBondContact O-N 3.17Å; T192-W195 VanDerWaalsContact O-N 3.16Å; T192-W195 VanDerWaalsContact OG1-CD2 3.24Å; T192-W195 VanDerWaalsContact OG1-CG 3.24Å; T192-W195 PolarHBondContact OG1-N 2.88Å; T192-D196 PolarHBondContact O-N 3.38Å
193	Q	94.1	Very high	92.7	Very high	137 Å²	137	53.8 Å²	53.8	64%	0.64	24%	0.243	S	C	*	.	H	α-helix	trans	-59	-35.5	176.9	-167.8	-175	43.6	0	0	112.5	R197	Q193-R197 WeakPolarHBondContact O-CG 3.42Å; Q193-R197 PolarHBondContact O-N 3.47Å; Q193-R197 VanDerWaalsContact OE1-NH2 3.09Å
194	K	95.7	Very high	93.3	Very high	100 Å²	100	56.6 Å²	56.6	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-61.9	-48.5	176.8	180	-178.3	175.4	-173.5	0	110.7	E166 T192 R197 E198	E166-K194 IonicContact OE2-NZ 3.77Å; T192-K194 PolarHBondContact O-N 3.36Å; K194-R197 PolarHBondContact O-N 3.06Å; K194-E198 PolarHBondContact O-N 2.77Å
195	W	96.5	Very high	93.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-42.4	178.7	-64.6	-17.1	0	0	0	112.3	L163 I167 T192 R197 E198 V199 L283 L285	L163-W195 HydrophobicContact CB-CH2 4.2Å; L163-W195 HydrophobicContact CB-CZ2 3.69Å; I167-W195 HydrophobicContact CD1-CH2 3.72Å; I167-W195 HydrophobicContact CD1-CZ2 4.15Å; I167-W195 HydrophobicContact CG1-CH2 3.67Å; I167-W195 HydrophobicContact CG1-CZ2 3.59Å; T192-W195 HydrophobicContact CG2-CD2 4.14Å; T192-W195 HydrophobicContact CG2-CE3 3.9Å; T192-W195 HydrophobicContact CG2-CH2 4.01Å; T192-W195 HydrophobicContact CG2-CZ2 4.27Å; T192-W195 HydrophobicContact CG2-CZ3 3.84Å; T192-W195 PolarHBondContact O-N 3.17Å; T192-W195 VanDerWaalsContact O-N 3.16Å; T192-W195 VanDerWaalsContact OG1-CD2 3.24Å; T192-W195 VanDerWaalsContact OG1-CG 3.24Å; T192-W195 PolarHBondContact OG1-N 2.88Å; W195-R197 PolarHBondContact O-N 3.13Å; W195-E198 CarbonylContact O-C 3.57Å; W195-E198 WeakPolarHBondContact O-CA 3.07Å; W195-E198 WeakPolarHBondContact O-CB 3.44Å; W195-E198 PolarHBondContact O-N 3.37Å; W195-V199 WeakPolarHBondContact O-CG2 3.4Å; W195-V199 PolarHBondContact O-N 3.44Å; W195-L283 HydrophobicContact CB-CB 4.08Å; W195-L283 HydrophobicContact CB-CD1 4.45Å; W195-L283 VanDerWaalsContact CE3-O 3.29Å; W195-L283 HydrophobicContact CG-CB 4.34Å; W195-L283 HydrophobicContact CG-CD2 4.3Å; W195-L285 HydrophobicContact CH2-CD1 3.51Å; W195-L285 HydrophobicContact CH2-CG 4.11Å; W195-L285 HydrophobicContact CZ3-CD1 3.75Å; W195-L285 HydrophobicContact CZ3-CG 4.01Å
196	D	94.4	Very high	94.5	Very high	32 Å²	32	57.9 Å²	57.9	17%	0.171	25%	0.254	C	S	.	.	H	α-helix	trans	-56.7	-38.7	175.9	-81.5	-11	0	0	0	112.4	R178 T191 T192 E198 K200	R178-D196 IonicContact CZ-OD1 2.68Å; R178-D196 IonicContact CZ-OD2 2.74Å; R178-D196 IonicContact NE-OD2 3.35Å; R178-D196 PolarHBondContact NE-OD2 3.4Å; R178-D196 VanDerWaalsContact NH2-CG 3.25Å; R178-D196 IonicContact NH2-OD1 3.62Å; R178-D196 PolarHBondContact NH2-OD1 3.29Å; R178-D196 IonicContact NH2-OD2 3.81Å; R178-D196 PolarHBondContact NH2-OD2 3.05Å; T191-D196 WeakPolarHBondContact CG2-OD1 3.47Å; T191-D196 PolarHBondContact OG1-OD1 2.86Å; T192-D196 PolarHBondContact O-N 3.38Å; D196-E198 VanDerWaalsContact C-N 3.32Å; D196-K200 VanDerWaalsContact O-CG 3.3Å; D196-K200 WeakPolarHBondContact O-CG 3.44Å; D196-K200 PolarHBondContact O-N 3.16Å; D196-K200 VanDerWaalsContact O-N 3.14Å
197	R	96.8	Very high	95.1	Very high	149 Å²	149	56.1 Å²	56.1	56%	0.562	25%	0.247	S	C	*	.	H	α-helix	trans	-67.6	-34.3	175	-68.4	174.6	-168.6	166	6.3	112.1	Q193 K194 W195 K201	Q193-R197 WeakPolarHBondContact O-CG 3.42Å; Q193-R197 PolarHBondContact O-N 3.47Å; Q193-R197 VanDerWaalsContact OE1-NH2 3.09Å; K194-R197 PolarHBondContact O-N 3.06Å; W195-R197 PolarHBondContact O-N 3.13Å; R197-K201 WeakPolarHBondContact O-CG 3.32Å; R197-K201 PolarHBondContact O-N 3.37Å
198	E	97	Very high	95.6	Very high	51 Å²	51	58.2 Å²	58.2	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-73.1	-45.7	178.4	-167.9	178	166.8	0	0	111.3	K194 W195 D196 K200 K201 M202 R280 L283	K194-E198 PolarHBondContact O-N 2.77Å; W195-E198 CarbonylContact O-C 3.57Å; W195-E198 WeakPolarHBondContact O-CA 3.07Å; W195-E198 WeakPolarHBondContact O-CB 3.44Å; W195-E198 PolarHBondContact O-N 3.37Å; D196-E198 VanDerWaalsContact C-N 3.32Å; E198-K200 VanDerWaalsContact C-N 3.32Å; E198-K200 PolarHBondContact O-N 3.07Å; E198-K201 WeakPolarHBondContact O-CB 3.08Å; E198-K201 PolarHBondContact O-N 2.87Å; E198-M202 HydrophobicContact CG-CE 4.48Å; E198-M202 PolarHBondContact O-N 3.19Å; E198-R280 WeakPolarHBondContact OE1-CD 3.33Å; E198-R280 IonicContact OE1-CZ 3.41Å; E198-R280 IonicContact OE1-NE 3.45Å; E198-R280 PolarHBondContact OE1-NE 3.31Å; E198-R280 IonicContact OE1-NH2 3.15Å; E198-R280 IonicContact OE2-CZ 2.93Å; E198-R280 IonicContact OE2-NE 3.65Å; E198-R280 IonicContact OE2-NH2 3.68Å; E198-R280 PolarHBondContact OE2-NH2 2.82Å; E198-L283 HydrophobicContact CB-CD1 3.85Å; E198-L283 HydrophobicContact CG-CD1 3.85Å
199	V	96.7	Very high	95.9	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.024	27%	0.265	C	S	.	.	H	α-helix	trans	-53.5	-49.5	173.5	174	0	0	0	0	110.4	W195 K201 M202 E203 D258 L283	W195-V199 WeakPolarHBondContact O-CG2 3.4Å; W195-V199 PolarHBondContact O-N 3.44Å; V199-K201 VanDerWaalsContact C-N 3.26Å; V199-K201 PolarHBondContact O-N 3.32Å; V199-M202 HydrophobicContact CG2-CE 4.17Å; V199-M202 PolarHBondContact O-N 2.96Å; V199-E203 HydrophobicContact CG1-CG 4.1Å; V199-E203 WeakPolarHBondContact O-CG 3.3Å; V199-E203 PolarHBondContact O-N 3.14Å; V199-D258 HydrophobicContact CG1-CB 4Å; V199-D258 HydrophobicContact CG2-CB 3.78Å; V199-L283 HydrophobicContact CG2-CB 3.82Å; V199-L283 HydrophobicContact CG2-CD1 3.81Å; V199-L283 HydrophobicContact CG2-CG 4.38Å
200	K	96.1	Very high	95.8	Very high	148 Å²	148	61.4 Å²	61.4	64%	0.643	27%	0.274	S	S	*	.	H	α-helix	trans	-57.7	-35.6	177.2	-73.1	178.1	-175.2	-172.3	0	113.7	D196 E198 K204	D196-K200 VanDerWaalsContact O-CG 3.3Å; D196-K200 WeakPolarHBondContact O-CG 3.44Å; D196-K200 PolarHBondContact O-N 3.16Å; D196-K200 VanDerWaalsContact O-N 3.14Å; E198-K200 VanDerWaalsContact C-N 3.32Å; E198-K200 PolarHBondContact O-N 3.07Å; K200-K204 VanDerWaalsContact O-CB 3.27Å; K200-K204 WeakPolarHBondContact O-CB 3.47Å; K200-K204 PolarHBondContact O-N 3.38Å
201	K	97.5	Very high	95.7	Very high	155 Å²	155	71.1 Å²	71.1	67%	0.674	31%	0.311	S	S	*	.	H	α-helix	trans	-70.5	-42.2	175.9	-70.9	174.2	-177.3	-177.6	0	111.3	R197 E198 V199 Y205	R197-K201 WeakPolarHBondContact O-CG 3.32Å; R197-K201 PolarHBondContact O-N 3.37Å; E198-K201 WeakPolarHBondContact O-CB 3.08Å; E198-K201 PolarHBondContact O-N 2.87Å; V199-K201 VanDerWaalsContact C-N 3.26Å; V199-K201 PolarHBondContact O-N 3.32Å; K201-Y205 WeakPolarHBondContact O-CB 3.43Å; K201-Y205 PolarHBondContact O-N 3.15Å
202	M	97.1	Very high	95.7	Very high	14 Å²	14	78.9 Å²	78.9	7%	0.069	35%	0.347	C	S	.	.	H	α-helix	trans	-63.8	-45.3	176.6	-67.5	-171.6	-66.1	0	0	111.4	E198 V199 Y205 L206 M277 L283	E198-M202 HydrophobicContact CG-CE 4.48Å; E198-M202 PolarHBondContact O-N 3.19Å; V199-M202 HydrophobicContact CG2-CE 4.17Å; V199-M202 PolarHBondContact O-N 2.96Å; M202-Y205 PolarHBondContact O-N 3.26Å; M202-L206 VanDerWaalsContact O-CG 3.3Å; M202-L206 WeakPolarHBondContact O-CG 3.45Å; M202-L206 PolarHBondContact O-N 3.25Å; M202-M277 HydrophobicContact CB-CE 4.37Å; M202-M277 HydrophobicContact CB-SD 4.31Å; M202-M277 HydrophobicContact CG-CE 4.31Å; M202-M277 HydrophobicContact CG-SD 3.96Å; M202-M277 HydrophobicContact SD-SD 4.15Å; M202-L283 HydrophobicContact CE-CD1 3.45Å; M202-L283 VanDerWaalsContact CE-CD1 3.45Å; M202-L283 HydrophobicContact CE-CG 4.21Å
203	E	95.9	Very high	95.5	Very high	28 Å²	28	79 Å²	79	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-41.6	177.5	-70	174.1	154.6	0	0	112.4	V199 L206 T207 W237 M238 H259	V199-E203 HydrophobicContact CG1-CG 4.1Å; V199-E203 WeakPolarHBondContact O-CG 3.3Å; V199-E203 PolarHBondContact O-N 3.14Å; E203-L206 PolarHBondContact O-N 3.41Å; E203-T207 VanDerWaalsContact O-CB 3.26Å; E203-T207 WeakPolarHBondContact O-CB 3.36Å; E203-T207 PolarHBondContact O-N 3.15Å; E203-T207 PolarHBondContact O-OG1 3.13Å; E203-W237 WeakPolarHBondContact CA-O 3.1Å; E203-M238 HydrophobicContact CG-CG 4.25Å; E203-H259 IonicContact OE1-CD2 2.81Å; E203-H259 IonicContact OE1-CE1 3.83Å; E203-H259 PolarHBondContact OE1-CE1 2.77Å; E203-H259 VanDerWaalsContact OE1-CE1 3.24Å; E203-H259 IonicContact OE1-NE2 2.72Å; E203-H259 PolarHBondContact OE1-NE2 2.83Å
204	K	96.6	Very high	95.4	Very high	132 Å²	132	74.8 Å²	74.8	57%	0.574	33%	0.332	S	S	*	.	H	α-helix	trans	-59.3	-49.8	174	-179.9	176.3	174	179.6	0	110.6	K200 L206 T207 E208	K200-K204 VanDerWaalsContact O-CB 3.27Å; K200-K204 WeakPolarHBondContact O-CB 3.47Å; K200-K204 PolarHBondContact O-N 3.38Å; K204-L206 PolarHBondContact O-N 3.15Å; K204-T207 PolarHBondContact O-N 2.72Å; K204-E208 WeakPolarHBondContact CE-OE1 3.39Å; K204-E208 IonicContact NZ-OE1 3.81Å; K204-E208 WeakPolarHBondContact O-CB 3.3Å; K204-E208 WeakPolarHBondContact O-CG 3.1Å; K204-E208 PolarHBondContact O-N 3Å
205	Y	96.2	Very high	95.2	Very high	73 Å²	73	73.6 Å²	73.6	29%	0.286	33%	0.333	S	S	.	.	H	α-helix	trans	-58	-48.9	177.7	173.1	-85.7	0	0	0	111.8	K201 M202 T207 E208 C209 K276 M277	K201-Y205 WeakPolarHBondContact O-CB 3.43Å; K201-Y205 PolarHBondContact O-N 3.15Å; M202-Y205 PolarHBondContact O-N 3.26Å; Y205-T207 VanDerWaalsContact C-N 3.32Å; Y205-T207 PolarHBondContact O-N 3.28Å; Y205-E208 PolarHBondContact O-N 3.43Å; Y205-E208 VanDerWaalsContact O-N 3.15Å; Y205-C209 WeakPolarHBondContact CE1-SG 3.4Å; Y205-C209 PolarHBondContact O-N 2.82Å; Y205-C209 PolarHBondContact O-SG 3.4Å; Y205-C209 VanDerWaalsContact O-SG 3.35Å; Y205-K276 VanDerWaalsContact CZ-CE 3.49Å; Y205-K276 VanDerWaalsContact CZ-NZ 3.31Å; Y205-K276 WeakPolarHBondContact OH-CE 3.44Å; Y205-K276 PolarHBondContact OH-NZ 2.84Å; Y205-M277 HydrophobicContact CD1-CE 3.14Å; Y205-M277 HydrophobicContact CE1-CE 3.75Å; Y205-M277 HydrophobicContact CG-CE 3.65Å
206	L	96.3	Very high	94.9	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-41.4	-179.2	-70.1	171.4	0	0	0	111.3	M202 E203 K204 E208 C209 Y210 L213 W237 R239 L273 M277	M202-L206 VanDerWaalsContact O-CG 3.3Å; M202-L206 WeakPolarHBondContact O-CG 3.45Å; M202-L206 PolarHBondContact O-N 3.25Å; E203-L206 PolarHBondContact O-N 3.41Å; K204-L206 PolarHBondContact O-N 3.15Å; L206-E208 VanDerWaalsContact C-N 3.28Å; L206-E208 PolarHBondContact O-N 2.86Å; L206-C209 PolarHBondContact O-N 2.99Å; L206-Y210 WeakPolarHBondContact O-CA 3.19Å; L206-Y210 WeakPolarHBondContact O-CB 3.48Å; L206-Y210 PolarHBondContact O-N 2.99Å; L206-L213 HydrophobicContact CD2-CD1 4.21Å; L206-W237 HydrophobicContact CB-CB 3.87Å; L206-R239 HydrophobicContact CD1-CG 3.85Å; L206-L273 HydrophobicContact CD1-CD1 4.23Å; L206-L273 HydrophobicContact CD2-CD1 3.88Å; L206-M277 HydrophobicContact CD2-CG 4.31Å
207	T	95.7	Very high	94.6	Very high	44 Å²	44	77.3 Å²	77.3	27%	0.27	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-30.1	176.4	-54.4	0	0	0	0	112.4	E203 K204 Y205 Y210 W237	E203-T207 VanDerWaalsContact O-CB 3.26Å; E203-T207 WeakPolarHBondContact O-CB 3.36Å; E203-T207 PolarHBondContact O-N 3.15Å; E203-T207 PolarHBondContact O-OG1 3.13Å; K204-T207 PolarHBondContact O-N 2.72Å; Y205-T207 VanDerWaalsContact C-N 3.32Å; Y205-T207 PolarHBondContact O-N 3.28Å; T207-Y210 VanDerWaalsContact O-CD1 3.25Å; T207-Y210 WeakPolarHBondContact O-CD1 3.31Å; T207-W237 PolarHBondContact OG1-N 3.05Å
208	E	95.8	Very high	94	Very high	133 Å²	133	74.5 Å²	74.5	62%	0.621	35%	0.345	S	S	*	.	H	α-helix	trans	-75.9	-38.1	175.9	-74.9	169.8	171	0	0	112	K204 Y205 L206	K204-E208 WeakPolarHBondContact CE-OE1 3.39Å; K204-E208 IonicContact NZ-OE1 3.81Å; K204-E208 WeakPolarHBondContact O-CB 3.3Å; K204-E208 WeakPolarHBondContact O-CG 3.1Å; K204-E208 PolarHBondContact O-N 3Å; Y205-E208 PolarHBondContact O-N 3.43Å; Y205-E208 VanDerWaalsContact O-N 3.15Å; L206-E208 VanDerWaalsContact C-N 3.28Å; L206-E208 PolarHBondContact O-N 2.86Å
209	C	94.4	Very high	93.4	Very high	13 Å²	13	78.3 Å²	78.3	9%	0.088	37%	0.367	C	S	.	.	H	α-helix	trans	-101.1	-0.7	-174.3	77.2	0	0	0	0	115.2	Y205 L206 R211 E212 L213	Y205-C209 WeakPolarHBondContact CE1-SG 3.4Å; Y205-C209 PolarHBondContact O-N 2.82Å; Y205-C209 PolarHBondContact O-SG 3.4Å; Y205-C209 VanDerWaalsContact O-SG 3.35Å; L206-C209 PolarHBondContact O-N 2.99Å; C209-R211 PolarHBondContact O-N 3.36Å; C209-E212 WeakPolarHBondContact O-CB 3.4Å; C209-E212 PolarHBondContact O-N 2.92Å; C209-L213 PolarHBondContact O-N 2.7Å
210	Y	93.4	Very high	92.7	Very high	60 Å²	60	79.8 Å²	79.8	24%	0.235	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.2	-169.2	82.6	-82.8	0	0	0	115.2	L206 T207 E212 L213 W237	L206-Y210 WeakPolarHBondContact O-CA 3.19Å; L206-Y210 WeakPolarHBondContact O-CB 3.48Å; L206-Y210 PolarHBondContact O-N 2.99Å; T207-Y210 VanDerWaalsContact O-CD1 3.25Å; T207-Y210 WeakPolarHBondContact O-CD1 3.31Å; Y210-E212 VanDerWaalsContact C-N 3.26Å; Y210-E212 PolarHBondContact O-N 3.39Å; Y210-L213 PolarHBondContact O-N 3.28Å; Y210-W237 AromaticContact CD1-CD1 3.9Å; Y210-W237 AromaticContact CD1-NE1 3.55Å; Y210-W237 HydrophobicContact CD2-CD2 4.4Å; Y210-W237 AromaticContact CD2-CE2 3.36Å; Y210-W237 HydrophobicContact CD2-CH2 4.32Å; Y210-W237 AromaticContact CD2-CZ2 3.31Å; Y210-W237 HydrophobicContact CD2-CZ2 3.31Å; Y210-W237 AromaticContact CD2-NE1 3.3Å; Y210-W237 VanDerWaalsContact CD2-NE1 3.3Å; Y210-W237 AromaticContact CE2-CZ2 3.95Å; Y210-W237 HydrophobicContact CE2-CZ2 3.95Å; Y210-W237 AromaticContact CE2-NE1 3.84Å; Y210-W237 AromaticContact CG-CD1 3.69Å; Y210-W237 HydrophobicContact CG-CD2 4.19Å; Y210-W237 AromaticContact CG-CE2 3.48Å; Y210-W237 VanDerWaalsContact CG-CE2 3.48Å; Y210-W237 HydrophobicContact CG-CG 4.28Å; Y210-W237 AromaticContact CG-CZ2 3.94Å; Y210-W237 HydrophobicContact CG-CZ2 3.94Å; Y210-W237 AromaticContact CG-NE1 3.12Å
211	R	93.3	Very high	92.1	Very high	205 Å²	205	73.5 Å²	73.5	77%	0.774	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.3	178.9	-64	-177	-175.3	148.9	1.7	112.5	C209	C209-R211 PolarHBondContact O-N 3.36Å
212	E	93.5	Very high	91.4	Very high	165 Å²	165	66.6 Å²	66.6	77%	0.771	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-18.8	177.9	-56.7	176.2	177	0	0	111.1	C209 Y210	C209-E212 WeakPolarHBondContact O-CB 3.4Å; C209-E212 PolarHBondContact O-N 2.92Å; Y210-E212 VanDerWaalsContact C-N 3.26Å; Y210-E212 PolarHBondContact O-N 3.39Å
213	L	92.1	Very high	90.7	Very high	14 Å²	14	66.5 Å²	66.5	7%	0.073	32%	0.32	C	S	.	.	S	Bend	trans	-70.5	132.8	176.1	-58.7	-176.6	0	0	0	110.5	L206 C209 Y210 C228 R271 P274	L206-L213 HydrophobicContact CD2-CD1 4.21Å; C209-L213 PolarHBondContact O-N 2.7Å; Y210-L213 PolarHBondContact O-N 3.28Å; L213-C228 HydrophobicContact CD1-CB 4.31Å; L213-R271 HydrophobicContact CB-CB 4.09Å; L213-R271 HydrophobicContact CB-CG 4.4Å; L213-R271 WeakPolarHBondContact O-CD 3.35Å; L213-P274 HydrophobicContact CD2-CG 3.49Å; L213-P274 VanDerWaalsContact CD2-CG 3.49Å
214	P	92.4	Very high	90.2	Very high	50 Å²	50	67.3 Å²	67.3	33%	0.325	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-61.4	148.3	175.3	-27.4	38.2	0	0	0	112.7	H149 R271 E272	H149-P214 VanDerWaalsContact CD2-CG 3.4Å; H149-P214 WeakPolarHBondContact CD2-CG 3.22Å; H149-P214 WeakPolarHBondContact NE2-CD 3.47Å; H149-P214 WeakPolarHBondContact NE2-CG 3.47Å; P214-R271 WeakPolarHBondContact O-CA 3.44Å; P214-R271 VanDerWaalsContact O-CD 3.3Å; P214-R271 WeakPolarHBondContact O-CD 3.49Å; P214-E272 HydrophobicContact CB-CB 4.38Å; P214-E272 HydrophobicContact CB-CG 4.22Å; P214-E272 PolarHBondContact O-N 3.13Å
215	T	91.8	Very high	89.9	Confident	74 Å²	74	61 Å²	61	45%	0.454	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-64	136.6	164.9	52.9	0	0	0	0	109.6
216	I	89.7	Confident	89.9	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-63.8	138.6	170.4	-168.9	157	0	0	0	109.5	I221 K225 C227 I242 F267 I270	I216-I221 HydrophobicContact CD1-CG1 4.26Å; I216-I221 HydrophobicContact CG1-CG1 4.17Å; I216-K225 HydrophobicContact CD1-CD 3.99Å; I216-C227 HydrophobicContact CD1-CB 4.3Å; I216-I242 HydrophobicContact CD1-CD1 3.51Å; I216-F267 HydrophobicContact CG2-CD2 4.27Å; I216-F267 HydrophobicContact CG2-CE2 3.45Å; I216-F267 VanDerWaalsContact CG2-CE2 3.45Å; I216-F267 HydrophobicContact CG2-CZ 3.67Å; I216-F267 WeakPolarHBondContact O-CZ 3.37Å; I216-I270 HydrophobicContact CB-CG2 4.42Å; I216-I270 HydrophobicContact CD1-CG2 4.19Å; I216-I270 HydrophobicContact CG2-CB 3.95Å; I216-I270 HydrophobicContact CG2-CG2 3.77Å
217	Q	87.6	Confident	89.8	Confident	107 Å²	107	57.5 Å²	57.5	50%	0.5	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-97.2	136.2	178.5	-61.2	-67.3	-9.9	0	0	109.9	D219 T220	Q217-D219 VanDerWaalsContact C-N 3.28Å; Q217-D219 VanDerWaalsContact CB-OD1 3.22Å; Q217-D219 WeakPolarHBondContact CB-OD1 3.47Å; Q217-D219 PolarHBondContact O-N 3.36Å; Q217-T220 HydrophobicContact CB-CG2 3.9Å; Q217-T220 PolarHBondContact O-N 2.6Å; Q217-T220 PolarHBondContact O-OG1 3.43Å
218	L	85.5	Confident	89.8	Confident	89 Å²	89	55.4 Å²	55.4	47%	0.466	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.9	-36.5	-171.9	-173.5	61.4	0	0	0	113	T220 I221 L247 F267	L218-T220 PolarHBondContact O-N 3.09Å; L218-I221 HydrophobicContact CD1-CD1 3.69Å; L218-I221 PolarHBondContact O-N 3.25Å; L218-L247 HydrophobicContact CD1-CD1 3.49Å; L218-L247 VanDerWaalsContact CD1-CD1 3.49Å; L218-L247 HydrophobicContact CD1-CG 4.12Å; L218-L247 HydrophobicContact CD2-CD1 3.88Å; L218-L247 HydrophobicContact CG-CD1 4.36Å; L218-F267 HydrophobicContact CB-CE1 4.46Å; L218-F267 HydrophobicContact CB-CZ 4.15Å; L218-F267 HydrophobicContact CD1-CE2 4.39Å; L218-F267 HydrophobicContact CD1-CZ 4.3Å
219	D	83.6	Confident	89.8	Confident	131 Å²	131	49.1 Å²	49.1	70%	0.701	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-72.2	-14.3	177.1	61.4	-15.4	0	0	0	113.8	Q217	Q217-D219 VanDerWaalsContact C-N 3.28Å; Q217-D219 VanDerWaalsContact CB-OD1 3.22Å; Q217-D219 WeakPolarHBondContact CB-OD1 3.47Å; Q217-D219 PolarHBondContact O-N 3.36Å
220	T	82.8	Confident	89.8	Confident	36 Å²	36	50.3 Å²	50.3	22%	0.221	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-95	-2.3	176	71.3	0	0	0	0	113.3	Q217 L218 F222 K225	Q217-T220 HydrophobicContact CB-CG2 3.9Å; Q217-T220 PolarHBondContact O-N 2.6Å; Q217-T220 PolarHBondContact O-OG1 3.43Å; L218-T220 PolarHBondContact O-N 3.09Å; T220-F222 VanDerWaalsContact O-CD1 3.31Å; T220-F222 WeakPolarHBondContact O-CD1 3.39Å; T220-K225 VanDerWaalsContact O-CD 3.31Å; T220-K225 WeakPolarHBondContact O-CD 3.35Å
221	I	83.3	Confident	89.3	Confident	16 Å²	16	48.4 Å²	48.4	8%	0.082	24%	0.242	C	C	.	.			trans	-75.9	131.6	-176.9	-61.4	-179.6	0	0	0	110.8	I216 L218 I242 T245 L252 F267	I216-I221 HydrophobicContact CD1-CG1 4.26Å; I216-I221 HydrophobicContact CG1-CG1 4.17Å; L218-I221 HydrophobicContact CD1-CD1 3.69Å; L218-I221 PolarHBondContact O-N 3.25Å; I221-I242 HydrophobicContact CB-CD1 4.41Å; I221-I242 HydrophobicContact CD1-CD1 4.26Å; I221-I242 HydrophobicContact CG1-CD1 4.07Å; I221-I242 HydrophobicContact CG2-CD1 3.66Å; I221-I242 HydrophobicContact CG2-CG2 3.81Å; I221-T245 HydrophobicContact CG2-CG2 3.99Å; I221-L252 HydrophobicContact CD1-CD1 3.57Å; I221-F267 HydrophobicContact CD1-CD2 4.29Å; I221-F267 HydrophobicContact CD1-CE2 3.38Å; I221-F267 HydrophobicContact CD1-CZ 4.02Å; I221-F267 HydrophobicContact CG1-CE2 4.49Å
222	F	82.3	Confident	88.7	Confident	10 Å²	10	44.3 Å²	44.3	4%	0.044	23%	0.232	C	C	.	.			trans	-137.3	153.7	166.5	54	-86.4	0	0	0	109.6	T101 V153 T220 K225	T101-F222 HydrophobicContact CG2-CB 3.9Å; T101-F222 HydrophobicContact CG2-CD2 4.47Å; V153-F222 HydrophobicContact CB-CE2 4.49Å; V153-F222 HydrophobicContact CB-CZ 4.46Å; V153-F222 HydrophobicContact CG2-CD1 4.09Å; V153-F222 HydrophobicContact CG2-CD2 4.37Å; V153-F222 HydrophobicContact CG2-CE1 4.01Å; V153-F222 HydrophobicContact CG2-CE2 4.31Å; V153-F222 HydrophobicContact CG2-CG 4.29Å; V153-F222 HydrophobicContact CG2-CZ 4.14Å; T220-F222 VanDerWaalsContact O-CD1 3.31Å; T220-F222 WeakPolarHBondContact O-CD1 3.39Å; F222-K225 HydrophobicContact CD1-CB 3.99Å; F222-K225 HydrophobicContact CD1-CD 3.97Å; F222-K225 HydrophobicContact CD1-CG 4.29Å; F222-K225 HydrophobicContact CD2-CB 3.8Å; F222-K225 HydrophobicContact CE1-CB 3.83Å; F222-K225 HydrophobicContact CE1-CD 3.65Å; F222-K225 HydrophobicContact CE1-CG 3.77Å; F222-K225 HydrophobicContact CE2-CB 3.61Å; F222-K225 HydrophobicContact CE2-CG 4.26Å; F222-K225 HydrophobicContact CG-CB 3.96Å; F222-K225 HydrophobicContact CZ-CB 3.62Å; F222-K225 HydrophobicContact CZ-CD 4.16Å; F222-K225 HydrophobicContact CZ-CG 3.73Å; F222-K225 WeakPolarHBondContact O-CB 3.39Å; F222-K225 PolarHBondContact O-N 2.93Å; F222-K225 VanDerWaalsContact O-N 3.07Å
223	P	81.7	Confident	87.7	Confident	11 Å²	11	41.4 Å²	41.4	7%	0.071	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	141.9	170.4	-25	39.6	0	0	0	111.2	C97 T101 K225 T245	C97-P223 HydrophobicContact CB-CG 4.02Å; T101-P223 WeakPolarHBondContact OG1-CD 3.44Å; T101-P223 WeakPolarHBondContact OG1-CG 3.5Å; P223-K225 PolarHBondContact O-N 2.88Å; P223-T245 HydrophobicContact CG-CG2 3.67Å
224	D	86.7	Confident	87	Confident	46 Å²	46	43.8 Å²	43.8	25%	0.246	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	4.3	-172.9	-64.4	-56.7	0	0	0	115.4	P226 R241 I242	D224-P226 VanDerWaalsContact O-CD 3.25Å; D224-P226 WeakPolarHBondContact O-CD 3.27Å; D224-R241 WeakPolarHBondContact OD1-CD 2.87Å; D224-R241 IonicContact OD1-CZ 3.89Å; D224-R241 IonicContact OD1-NE 2.98Å; D224-R241 IonicContact OD1-NH1 3.24Å; D224-R241 PolarHBondContact OD1-NH1 3.28Å; D224-I242 PolarHBondContact N-O 3.26Å
225	K	90	Very high	86.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.273	C	S	.	.			trans	-55.7	121.9	172.3	177.6	171.6	159.9	106.5	0	109.8	A150 I216 T220 F222 P223 C227 R241 I242 E272	A150-K225 PolarHBondContact O-NZ 2.8Å; I216-K225 HydrophobicContact CD1-CD 3.99Å; T220-K225 VanDerWaalsContact O-CD 3.31Å; T220-K225 WeakPolarHBondContact O-CD 3.35Å; F222-K225 HydrophobicContact CD1-CB 3.99Å; F222-K225 HydrophobicContact CD1-CD 3.97Å; F222-K225 HydrophobicContact CD1-CG 4.29Å; F222-K225 HydrophobicContact CD2-CB 3.8Å; F222-K225 HydrophobicContact CE1-CB 3.83Å; F222-K225 HydrophobicContact CE1-CD 3.65Å; F222-K225 HydrophobicContact CE1-CG 3.77Å; F222-K225 HydrophobicContact CE2-CB 3.61Å; F222-K225 HydrophobicContact CE2-CG 4.26Å; F222-K225 HydrophobicContact CG-CB 3.96Å; F222-K225 HydrophobicContact CZ-CB 3.62Å; F222-K225 HydrophobicContact CZ-CD 4.16Å; F222-K225 HydrophobicContact CZ-CG 3.73Å; F222-K225 WeakPolarHBondContact O-CB 3.39Å; F222-K225 PolarHBondContact O-N 2.93Å; F222-K225 VanDerWaalsContact O-N 3.07Å; P223-K225 PolarHBondContact O-N 2.88Å; K225-C227 PolarHBondContact O-N 3.13Å; K225-R241 VanDerWaalsContact O-CA 3.3Å; K225-R241 WeakPolarHBondContact O-CA 2.91Å; K225-I242 PolarHBondContact O-N 2.97Å; K225-E272 WeakPolarHBondContact CE-OE2 3.03Å; K225-E272 VanDerWaalsContact NZ-CD 3.33Å; K225-E272 IonicContact NZ-OE1 2.6Å; K225-E272 PolarHBondContact NZ-OE1 3.33Å; K225-E272 IonicContact NZ-OE2 2.77Å; K225-E272 PolarHBondContact NZ-OE2 3.33Å
226	P	95	Very high	86.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	136.3	171.7	-27	39.1	0	0	0	111.2	D155 Y157 D224 G240 L273 I278	D155-P226 WeakPolarHBondContact O-CD 3.4Å; D155-P226 WeakPolarHBondContact O-CG 3.41Å; Y157-P226 HydrophobicContact CD2-CB 4.32Å; Y157-P226 HydrophobicContact CD2-CG 3.96Å; Y157-P226 HydrophobicContact CE1-CB 4.36Å; Y157-P226 HydrophobicContact CE2-CB 3.68Å; Y157-P226 HydrophobicContact CE2-CG 3.83Å; Y157-P226 HydrophobicContact CG-CG 4.45Å; D224-P226 VanDerWaalsContact O-CD 3.25Å; D224-P226 WeakPolarHBondContact O-CD 3.27Å; P226-G240 WeakPolarHBondContact CA-O 3.31Å; P226-L273 HydrophobicContact CB-CD2 4.09Å; P226-I278 HydrophobicContact CB-CD1 4.06Å; P226-I278 HydrophobicContact CB-CG1 4.06Å; P226-I278 HydrophobicContact CG-CD1 4.41Å; P226-I278 HydrophobicContact CG-CG2 4.29Å
227	C	95.6	Very high	86.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	170.3	177.9	63.9	0	0	0	0	110.3	I216 K225 G240 I242 V254 I270	I216-C227 HydrophobicContact CD1-CB 4.3Å; K225-C227 PolarHBondContact O-N 3.13Å; C227-G240 PolarHBondContact N-O 3.34Å; C227-G240 PolarHBondContact O-N 3.35Å; C227-I242 HydrophobicContact CB-CG1 4.47Å; C227-V254 VanDerWaalsContact SG-CG1 3.57Å; C227-I270 HydrophobicContact CB-CG2 3.74Å
228	C	95.9	Very high	87.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.8	164.9	-166.1	0	0	0	0	108.7	L213 W237 M238 I270 R271 L273	L213-C228 HydrophobicContact CD1-CB 4.31Å; C228-W237 HydrophobicContact CB-CE3 4.26Å; C228-W237 VanDerWaalsContact SG-CE3 3.57Å; C228-M238 VanDerWaalsContact CA-O 3.31Å; C228-M238 WeakPolarHBondContact CA-O 3.42Å; C228-M238 PolarHBondContact SG-O 3.41Å; C228-M238 VanDerWaalsContact SG-O 3.37Å; C228-I270 CarbonylContact O-C 3.58Å; C228-I270 WeakPolarHBondContact O-CA 3.47Å; C228-R271 HydrophobicContact CB-CB 4.16Å; C228-R271 PolarHBondContact N-O 3.35Å; C228-R271 PolarHBondContact O-N 3.03Å; C228-L273 HydrophobicContact CB-CD1 4.01Å
229	V	95.9	Very high	87.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.2	-176.3	63.8	0	0	0	0	110.7	W237 M238 V254 V263 S265 I270	V229-W237 WeakPolarHBondContact O-CA 3.38Å; V229-M238 HydrophobicContact CG1-CB 4.44Å; V229-M238 HydrophobicContact CG1-CE 4.45Å; V229-M238 PolarHBondContact N-O 3.23Å; V229-M238 PolarHBondContact O-N 2.98Å; V229-V254 HydrophobicContact CB-CB 4.38Å; V229-V254 HydrophobicContact CB-CG1 3.89Å; V229-V254 HydrophobicContact CG1-CB 4.47Å; V229-V254 HydrophobicContact CG1-CG1 3.75Å; V229-V254 HydrophobicContact CG2-CB 4.14Å; V229-V254 HydrophobicContact CG2-CG1 4.2Å; V229-V254 HydrophobicContact CG2-CG2 4.27Å; V229-V263 HydrophobicContact CG2-CG2 3.97Å; V229-S265 WeakPolarHBondContact CG2-OG 3.36Å; V229-I270 HydrophobicContact CG2-CG1 4.42Å
230	L	93.6	Very high	88.5	Confident	39 Å²	39	32.1 Å²	32.1	20%	0.204	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.8	175.5	177.2	62	0	0	0	110.7	E232 W237 S269	L230-E232 HydrophobicContact CD2-CG 4.41Å; L230-E232 HydrophobicContact CG-CG 4.47Å; L230-E232 PolarHBondContact O-N 3.33Å; L230-W237 HydrophobicContact CB-CD2 4.1Å; L230-W237 HydrophobicContact CB-CE3 4.21Å; L230-W237 HydrophobicContact CB-CH2 4.11Å; L230-W237 HydrophobicContact CB-CZ2 3.97Å; L230-W237 HydrophobicContact CB-CZ3 4.22Å; L230-W237 HydrophobicContact CD1-CD2 4.47Å; L230-W237 HydrophobicContact CD1-CG 4.41Å; L230-W237 HydrophobicContact CD2-CZ2 4.44Å; L230-S269 PolarHBondContact N-O 3.34Å; L230-S269 VanDerWaalsContact N-O 3.08Å
231	C	83.6	Confident	89	Confident	19 Å²	19	34.2 Å²	34.2	13%	0.128	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	107.1	159.4	-177.6	0	0	0	0	108.7	A233 S234 E235 T236 M238	C231-A233 VanDerWaalsContact C-N 3.27Å; C231-A233 PolarHBondContact O-N 3.23Å; C231-S234 VanDerWaalsContact CB-OG 3.32Å; C231-S234 WeakPolarHBondContact CB-OG 3.5Å; C231-S234 PolarHBondContact O-N 2.95Å; C231-S234 PolarHBondContact SG-OG 2.97Å; C231-E235 WeakPolarHBondContact O-CA 3.38Å; C231-E235 PolarHBondContact O-N 3.46Å; C231-T236 PolarHBondContact N-O 3.09Å; C231-T236 PolarHBondContact O-N 3.22Å; C231-M238 HydrophobicContact CB-CE 3.62Å; C231-M238 HydrophobicContact CB-SD 4.24Å
232	E	80.1	Confident	89.5	Confident	119 Å²	119	33.5 Å²	33.5	56%	0.556	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.1	-178.6	-64.7	-169.3	161.4	0	0	112.4	L230 S234	L230-E232 HydrophobicContact CD2-CG 4.41Å; L230-E232 HydrophobicContact CG-CG 4.47Å; L230-E232 PolarHBondContact O-N 3.33Å; E232-S234 VanDerWaalsContact C-N 3.33Å; E232-S234 PolarHBondContact O-N 3.41Å
233	A	71.9	Confident	89.7	Confident	104 Å²	104	35.1 Å²	35.1	86%	0.86	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-31	-178.3	0	0	0	0	0	113.6	C231	C231-A233 VanDerWaalsContact C-N 3.27Å; C231-A233 PolarHBondContact O-N 3.23Å
234	S	77.2	Confident	89.8	Confident	64 Å²	64	38 Å²	38	45%	0.448	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-0.5	-178.5	55.3	0	0	0	0	113.8	C231 E232 T236	C231-S234 VanDerWaalsContact CB-OG 3.32Å; C231-S234 WeakPolarHBondContact CB-OG 3.5Å; C231-S234 PolarHBondContact O-N 2.95Å; C231-S234 PolarHBondContact SG-OG 2.97Å; E232-S234 VanDerWaalsContact C-N 3.33Å; E232-S234 PolarHBondContact O-N 3.41Å; S234-T236 WeakPolarHBondContact CB-OG1 3.22Å; S234-T236 PolarHBondContact O-N 3.27Å; S234-T236 VanDerWaalsContact O-N 3.1Å; S234-T236 PolarHBondContact OG-OG1 3.04Å
235	E	87.2	Confident	89.5	Confident	157 Å²	157	38.1 Å²	38.1	73%	0.734	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	28.3	-173.9	-58.4	-169.2	140	0	0	113.9	C231	C231-E235 WeakPolarHBondContact O-CA 3.38Å; C231-E235 PolarHBondContact O-N 3.46Å
236	T	90.3	Very high	89	Confident	39 Å²	39	42.8 Å²	42.8	24%	0.239	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.7	-178.6	44.7	0	0	0	0	111.6	C231 S234	C231-T236 PolarHBondContact N-O 3.09Å; C231-T236 PolarHBondContact O-N 3.22Å; S234-T236 WeakPolarHBondContact CB-OG1 3.22Å; S234-T236 PolarHBondContact O-N 3.27Å; S234-T236 VanDerWaalsContact O-N 3.1Å; S234-T236 PolarHBondContact OG-OG1 3.04Å
237	W	95.9	Very high	88.4	Confident	10 Å²	10	45.6 Å²	45.6	4%	0.038	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.1	171.3	-73.6	84.7	0	0	0	110.5	E203 L206 T207 Y210 C228 V229 L230 S269 R271	E203-W237 WeakPolarHBondContact CA-O 3.1Å; L206-W237 HydrophobicContact CB-CB 3.87Å; T207-W237 PolarHBondContact OG1-N 3.05Å; Y210-W237 AromaticContact CD1-CD1 3.9Å; Y210-W237 AromaticContact CD1-NE1 3.55Å; Y210-W237 HydrophobicContact CD2-CD2 4.4Å; Y210-W237 AromaticContact CD2-CE2 3.36Å; Y210-W237 HydrophobicContact CD2-CH2 4.32Å; Y210-W237 AromaticContact CD2-CZ2 3.31Å; Y210-W237 HydrophobicContact CD2-CZ2 3.31Å; Y210-W237 AromaticContact CD2-NE1 3.3Å; Y210-W237 VanDerWaalsContact CD2-NE1 3.3Å; Y210-W237 AromaticContact CE2-CZ2 3.95Å; Y210-W237 HydrophobicContact CE2-CZ2 3.95Å; Y210-W237 AromaticContact CE2-NE1 3.84Å; Y210-W237 AromaticContact CG-CD1 3.69Å; Y210-W237 HydrophobicContact CG-CD2 4.19Å; Y210-W237 AromaticContact CG-CE2 3.48Å; Y210-W237 VanDerWaalsContact CG-CE2 3.48Å; Y210-W237 HydrophobicContact CG-CG 4.28Å; Y210-W237 AromaticContact CG-CZ2 3.94Å; Y210-W237 HydrophobicContact CG-CZ2 3.94Å; Y210-W237 AromaticContact CG-NE1 3.12Å; C228-W237 HydrophobicContact CB-CE3 4.26Å; C228-W237 VanDerWaalsContact SG-CE3 3.57Å; V229-W237 WeakPolarHBondContact O-CA 3.38Å; L230-W237 HydrophobicContact CB-CD2 4.1Å; L230-W237 HydrophobicContact CB-CE3 4.21Å; L230-W237 HydrophobicContact CB-CH2 4.11Å; L230-W237 HydrophobicContact CB-CZ2 3.97Å; L230-W237 HydrophobicContact CB-CZ3 4.22Å; L230-W237 HydrophobicContact CD1-CD2 4.47Å; L230-W237 HydrophobicContact CD1-CG 4.41Å; L230-W237 HydrophobicContact CD2-CZ2 4.44Å; W237-S269 VanDerWaalsContact CZ3-O 3.28Å; W237-S269 WeakPolarHBondContact CZ3-O 3.34Å; W237-R271 HydrophobicContact CE3-CG 4.34Å; W237-R271 HydrophobicContact CH2-CG 3.51Å; W237-R271 HydrophobicContact CZ2-CG 4.45Å; W237-R271 HydrophobicContact CZ3-CB 4Å; W237-R271 HydrophobicContact CZ3-CG 3.44Å; W237-R271 VanDerWaalsContact CZ3-CG 3.44Å
238	M	95.8	Very high	87.7	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	161.4	-174	-58.6	-179.1	-58.4	0	0	110.9	E203 C228 V229 C231 C256	E203-M238 HydrophobicContact CG-CG 4.25Å; C228-M238 VanDerWaalsContact CA-O 3.31Å; C228-M238 WeakPolarHBondContact CA-O 3.42Å; C228-M238 PolarHBondContact SG-O 3.41Å; C228-M238 VanDerWaalsContact SG-O 3.37Å; V229-M238 HydrophobicContact CG1-CB 4.44Å; V229-M238 HydrophobicContact CG1-CE 4.45Å; V229-M238 PolarHBondContact N-O 3.23Å; V229-M238 PolarHBondContact O-N 2.98Å; C231-M238 HydrophobicContact CB-CE 3.62Å; C231-M238 HydrophobicContact CB-SD 4.24Å; M238-C256 HydrophobicContact CE-CB 4.18Å; M238-C256 WeakPolarHBondContact CE-SG 3.35Å
239	R	97.5	Very high	87.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.6	168	-63.6	-163.4	-56.5	163.7	2.2	109.7	L206 V257 D258 L273 M277 R280 P281	L206-R239 HydrophobicContact CD1-CG 3.85Å; R239-V257 HydrophobicContact CB-CG2 3.86Å; R239-V257 PolarHBondContact O-N 3.47Å; R239-D258 IonicContact CZ-OD1 3.22Å; R239-D258 IonicContact CZ-OD2 3.49Å; R239-D258 IonicContact NE-OD1 2.69Å; R239-D258 IonicContact NE-OD2 2.7Å; R239-D258 PolarHBondContact NE-OD2 3.03Å; R239-D258 VanDerWaalsContact NH2-CG 3.32Å; R239-D258 IonicContact NH2-OD1 3.84Å; R239-D258 PolarHBondContact NH2-OD1 3.13Å; R239-D258 IonicContact NH2-OD2 3.62Å; R239-D258 PolarHBondContact NH2-OD2 2.82Å; R239-D258 VanDerWaalsContact NH2-OD2 3.15Å; R239-L273 HydrophobicContact CG-CD1 4.1Å; R239-L273 HydrophobicContact CG-CD2 4.21Å; R239-M277 PolarHBondContact NH1-O 2.98Å; R239-R280 PolarHBondContact NH1-O 3.25Å; R239-P281 PolarHBondContact NH2-O 3.36Å
240	G	96.3	Very high	86.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	171	179.5	0	0	0	0	0	112.1	Y157 P226 C227 H255	Y157-G240 WeakPolarHBondContact CE2-O 3.22Å; Y157-G240 PolarHBondContact OH-O 2.93Å; P226-G240 WeakPolarHBondContact CA-O 3.31Å; C227-G240 PolarHBondContact N-O 3.34Å; C227-G240 PolarHBondContact O-N 3.35Å; G240-H255 CarbonylContact C-O 3.56Å; G240-H255 WeakPolarHBondContact CA-O 3.4Å
241	R	94.3	Very high	86.8	Confident	80 Å²	80	60.8 Å²	60.8	30%	0.302	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.3	160.4	66	-180	178.5	168.9	-14.2	109.6	Y157 D224 K225 C243 V254 H255 V257	Y157-R241 HydrophobicContact CE2-CB 4.24Å; D224-R241 WeakPolarHBondContact OD1-CD 2.87Å; D224-R241 IonicContact OD1-CZ 3.89Å; D224-R241 IonicContact OD1-NE 2.98Å; D224-R241 IonicContact OD1-NH1 3.24Å; D224-R241 PolarHBondContact OD1-NH1 3.28Å; K225-R241 VanDerWaalsContact O-CA 3.3Å; K225-R241 WeakPolarHBondContact O-CA 2.91Å; R241-C243 PolarHBondContact O-N 3.46Å; R241-V254 CarbonylContact O-C 2.95Å; R241-V254 WeakPolarHBondContact O-CA 3.44Å; R241-H255 HydrophobicContact CG-CB 3.85Å; R241-H255 PolarHBondContact N-O 2.65Å; R241-H255 PolarHBondContact O-N 3.41Å; R241-V257 HydrophobicContact CB-CG1 3.99Å; R241-V257 HydrophobicContact CG-CG1 3.75Å
242	I	92	Very high	87.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126	178.7	-66.3	179.8	0	0	0	109.6	I216 I221 D224 K225 C227 K244 L252	I216-I242 HydrophobicContact CD1-CD1 3.51Å; I221-I242 HydrophobicContact CB-CD1 4.41Å; I221-I242 HydrophobicContact CD1-CD1 4.26Å; I221-I242 HydrophobicContact CG1-CD1 4.07Å; I221-I242 HydrophobicContact CG2-CD1 3.66Å; I221-I242 HydrophobicContact CG2-CG2 3.81Å; D224-I242 PolarHBondContact N-O 3.26Å; K225-I242 PolarHBondContact O-N 2.97Å; C227-I242 HydrophobicContact CB-CG1 4.47Å; I242-K244 WeakPolarHBondContact CG2-O 2.99Å; I242-L252 HydrophobicContact CD1-CD1 4.4Å; I242-L252 HydrophobicContact CG2-CD1 4.49Å
243	C	86.6	Confident	87.6	Confident	45 Å²	45	54.5 Å²	54.5	30%	0.304	31%	0.308	S	S	.	.	S	Bend	trans	-83.2	-35.9	-178.9	-60.1	0	0	0	0	112.5	R241 P253 H255	R241-C243 PolarHBondContact O-N 3.46Å; C243-P253 HydrophobicContact CB-CB 3.92Å; C243-P253 HydrophobicContact CB-CG 3.96Å; C243-P253 WeakPolarHBondContact CB-O 3.45Å; C243-P253 PolarHBondContact N-O 3.09Å; C243-H255 PolarHBondContact SG-N 2.6Å; C243-H255 VanDerWaalsContact SG-N 3.42Å
244	K	83.6	Confident	88.6	Confident	72 Å²	72	49.6 Å²	49.6	31%	0.313	27%	0.267	S	S	.	.			trans	-138.4	151.4	-178	-64.9	-180	177.5	172.5	0	109.9	I242 E248 P253	I242-K244 WeakPolarHBondContact CG2-O 2.99Å; K244-E248 IonicContact NZ-OE1 2.66Å; K244-E248 PolarHBondContact NZ-OE1 3.35Å; K244-P253 HydrophobicContact CB-CG 3.96Å; K244-P253 HydrophobicContact CD-CG 3.99Å; K244-P253 HydrophobicContact CG-CG 3.98Å
245	T	82.1	Confident	89.4	Confident	48 Å²	48	47 Å²	47	29%	0.294	25%	0.248	S	C	.	.	S	Bend	trans	-91.8	-17.7	180	57.3	0	0	0	0	114.3	I221 P223	I221-T245 HydrophobicContact CG2-CG2 3.99Å; P223-T245 HydrophobicContact CG-CG2 3.67Å
246	V	79.4	Confident	89.7	Confident	98 Å²	98	39.5 Å²	39.5	59%	0.594	21%	0.213	S	C	*	.	S	Bend	trans	-87.7	125.8	-177.9	-177.4	0	0	0	0	109.1	E248 L252	V246-E248 PolarHBondContact O-N 2.93Å; V246-L252 VanDerWaalsContact O-CD2 3.31Å; V246-L252 WeakPolarHBondContact O-CD2 3.48Å
247	L	82.3	Confident	90	Very high	59 Å²	59	38 Å²	38	31%	0.309	20%	0.203	S	C	.	.			trans	-67.5	118.8	172.7	-74.8	154.7	0	0	0	110	L218 S251 L252 F267	L218-L247 HydrophobicContact CD1-CD1 3.49Å; L218-L247 VanDerWaalsContact CD1-CD1 3.49Å; L218-L247 HydrophobicContact CD1-CG 4.12Å; L218-L247 HydrophobicContact CD2-CD1 3.88Å; L218-L247 HydrophobicContact CG-CD1 4.36Å; L247-S251 WeakPolarHBondContact CA-O 3.5Å; L247-L252 HydrophobicContact CD2-CD1 4.33Å; L247-L252 HydrophobicContact CD2-CD2 4.08Å; L247-L252 HydrophobicContact CD2-CG 3.79Å; L247-L252 HydrophobicContact CG-CD2 4.13Å; L247-L252 HydrophobicContact CG-CG 4.35Å; L247-F267 HydrophobicContact CD2-CB 3.76Å; L247-F267 HydrophobicContact CD2-CD2 4.06Å; L247-F267 HydrophobicContact CD2-CG 4.01Å
248	E	80.8	Confident	90	Very high	88 Å²	88	37.7 Å²	37.7	41%	0.411	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-98.1	112	170	-69	179.9	-155	0	0	107.4	K244 V246 G250 S251	K244-E248 IonicContact NZ-OE1 2.66Å; K244-E248 PolarHBondContact NZ-OE1 3.35Å; V246-E248 PolarHBondContact O-N 2.93Å; E248-G250 PolarHBondContact O-N 2.99Å; E248-G250 VanDerWaalsContact O-N 3.13Å; E248-S251 PolarHBondContact N-O 3.14Å; E248-S251 PolarHBondContact O-N 3.07Å
249	H	87.2	Confident	89.7	Confident	199 Å²	199	39.3 Å²	39.3	92%	0.921	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	35.7	-176.4	-54.5	-70.2	0	0	0	114.4	S251	H249-S251 VanDerWaalsContact C-N 3.25Å; H249-S251 PolarHBondContact O-N 2.91Å
250	G	88.1	Confident	89.4	Confident	42 Å²	42	39.2 Å²	39.2	43%	0.433	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	9.5	-179	0	0	0	0	0	114.7	E248 F267	E248-G250 PolarHBondContact O-N 2.99Å; E248-G250 VanDerWaalsContact O-N 3.13Å; G250-F267 PolarHBondContact O-N 2.86Å
251	S	90	Very high	88.8	Confident	28 Å²	28	42 Å²	42	20%	0.196	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	158.9	176.6	-57.8	0	0	0	0	111.2	L247 E248 H249 S265	L247-S251 WeakPolarHBondContact CA-O 3.5Å; E248-S251 PolarHBondContact N-O 3.14Å; E248-S251 PolarHBondContact O-N 3.07Å; H249-S251 VanDerWaalsContact C-N 3.25Å; H249-S251 PolarHBondContact O-N 2.91Å; S251-S265 CarbonylContact C-O 3.56Å; S251-S265 VanDerWaalsContact CA-O 3.22Å; S251-S265 WeakPolarHBondContact CA-O 3.47Å; S251-S265 WeakPolarHBondContact CB-O 3.33Å
252	L	89.8	Confident	88.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.3	171.7	-68.1	173.9	0	0	0	110.1	I221 I242 V246 L247 V254 S265 F267 I270	I221-L252 HydrophobicContact CD1-CD1 3.57Å; I242-L252 HydrophobicContact CD1-CD1 4.4Å; I242-L252 HydrophobicContact CG2-CD1 4.49Å; V246-L252 VanDerWaalsContact O-CD2 3.31Å; V246-L252 WeakPolarHBondContact O-CD2 3.48Å; L247-L252 HydrophobicContact CD2-CD1 4.33Å; L247-L252 HydrophobicContact CD2-CD2 4.08Å; L247-L252 HydrophobicContact CD2-CG 3.79Å; L247-L252 HydrophobicContact CG-CD2 4.13Å; L247-L252 HydrophobicContact CG-CG 4.35Å; L252-V254 PolarHBondContact O-N 3.28Å; L252-S265 PolarHBondContact N-O 2.81Å; L252-S265 PolarHBondContact O-N 3.06Å; L252-F267 HydrophobicContact CD1-CD2 3.86Å; L252-F267 HydrophobicContact CD1-CE2 4.15Å; L252-I270 HydrophobicContact CB-CD1 3.96Å; L252-I270 HydrophobicContact CD1-CD1 4.18Å
253	P	91	Very high	88.4	Confident	7 Å²	7	42.8 Å²	42.8	5%	0.045	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	123.2	165.6	22.7	-28.9	0	0	0	109.8	C243 K244 T262 V263 E264	C243-P253 HydrophobicContact CB-CB 3.92Å; C243-P253 HydrophobicContact CB-CG 3.96Å; C243-P253 WeakPolarHBondContact CB-O 3.45Å; C243-P253 PolarHBondContact N-O 3.09Å; K244-P253 HydrophobicContact CB-CG 3.96Å; K244-P253 HydrophobicContact CD-CG 3.99Å; K244-P253 HydrophobicContact CG-CG 3.98Å; P253-T262 HydrophobicContact CB-CG2 3.9Å; P253-V263 WeakPolarHBondContact CA-O 3.43Å; P253-E264 WeakPolarHBondContact CB-OE1 3.42Å
254	V	93.1	Very high	88.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.9	175.4	-178.7	0	0	0	0	109.6	C227 V229 R241 L252 T262 V263 I270	C227-V254 VanDerWaalsContact SG-CG1 3.57Å; V229-V254 HydrophobicContact CB-CB 4.38Å; V229-V254 HydrophobicContact CB-CG1 3.89Å; V229-V254 HydrophobicContact CG1-CB 4.47Å; V229-V254 HydrophobicContact CG1-CG1 3.75Å; V229-V254 HydrophobicContact CG2-CB 4.14Å; V229-V254 HydrophobicContact CG2-CG1 4.2Å; V229-V254 HydrophobicContact CG2-CG2 4.27Å; R241-V254 CarbonylContact O-C 2.95Å; R241-V254 WeakPolarHBondContact O-CA 3.44Å; L252-V254 PolarHBondContact O-N 3.28Å; V254-T262 WeakPolarHBondContact O-CA 3.49Å; V254-V263 HydrophobicContact CB-CG2 4.24Å; V254-V263 PolarHBondContact N-O 3.25Å; V254-V263 PolarHBondContact O-N 3.27Å; V254-I270 HydrophobicContact CG2-CD1 3.61Å; V254-I270 HydrophobicContact CG2-CG1 4.19Å
255	H	94	Very high	88.8	Confident	9 Å²	9	43 Å²	43	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.7	174.7	-177.1	75.1	0	0	0	110	F189 G240 R241 C243 V257 G260 Y261 T262	F189-H255 AromaticContact CZ-CE1 3.9Å; G240-H255 CarbonylContact C-O 3.56Å; G240-H255 WeakPolarHBondContact CA-O 3.4Å; R241-H255 HydrophobicContact CG-CB 3.85Å; R241-H255 PolarHBondContact N-O 2.65Å; R241-H255 PolarHBondContact O-N 3.41Å; C243-H255 PolarHBondContact SG-N 2.6Å; C243-H255 VanDerWaalsContact SG-N 3.42Å; H255-V257 WeakPolarHBondContact O-CG1 2.91Å; H255-V257 PolarHBondContact O-N 3.34Å; H255-V257 VanDerWaalsContact O-N 3.09Å; H255-G260 VanDerWaalsContact CE1-C 3.43Å; H255-G260 PolarHBondContact CE1-O 2.8Å; H255-Y261 PolarHBondContact ND1-O 3.13Å; H255-T262 PolarHBondContact ND1-OG1 2.8Å
256	C	94.1	Very high	89.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	93.9	179.1	-58.8	0	0	0	0	108.9	M238 D258 H259 G260 Y261	M238-C256 HydrophobicContact CE-CB 4.18Å; M238-C256 WeakPolarHBondContact CE-SG 3.35Å; C256-D258 PolarHBondContact O-N 3.4Å; C256-D258 VanDerWaalsContact O-N 3.1Å; C256-H259 HydrophobicContact CB-CB 4.32Å; C256-H259 PolarHBondContact O-N 2.79Å; C256-G260 PolarHBondContact O-N 2.87Å; C256-Y261 HydrophobicContact CB-CD2 4.38Å; C256-Y261 HydrophobicContact CB-CE2 4.15Å; C256-Y261 WeakPolarHBondContact CB-O 3.3Å; C256-Y261 PolarHBondContact N-O 3.06Å
257	V	95.7	Very high	89.7	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.042	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.7	-162	-56.8	0	0	0	0	113.7	Y157 R239 R241 H255 P282	Y157-V257 HydrophobicContact CD2-CG1 4.16Å; Y157-V257 HydrophobicContact CE1-CG2 4.29Å; Y157-V257 HydrophobicContact CE2-CB 4.4Å; Y157-V257 HydrophobicContact CE2-CG1 3.72Å; Y157-V257 HydrophobicContact CE2-CG2 3.99Å; R239-V257 HydrophobicContact CB-CG2 3.86Å; R239-V257 PolarHBondContact O-N 3.47Å; R241-V257 HydrophobicContact CB-CG1 3.99Å; R241-V257 HydrophobicContact CG-CG1 3.75Å; H255-V257 WeakPolarHBondContact O-CG1 2.91Å; H255-V257 PolarHBondContact O-N 3.34Å; H255-V257 VanDerWaalsContact O-N 3.09Å; V257-P282 HydrophobicContact CB-CB 3.77Å; V257-P282 HydrophobicContact CB-CG 3.93Å; V257-P282 HydrophobicContact CG2-CB 3.96Å; V257-P282 HydrophobicContact CG2-CG 4.05Å; V257-P282 WeakPolarHBondContact O-CB 3.49Å
258	D	96.4	Very high	90.2	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.027	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.7	179	-68.7	-41.6	0	0	0	114.1	V199 R239 C256 L283 S284	V199-D258 HydrophobicContact CG1-CB 4Å; V199-D258 HydrophobicContact CG2-CB 3.78Å; R239-D258 IonicContact CZ-OD1 3.22Å; R239-D258 IonicContact CZ-OD2 3.49Å; R239-D258 IonicContact NE-OD1 2.69Å; R239-D258 IonicContact NE-OD2 2.7Å; R239-D258 PolarHBondContact NE-OD2 3.03Å; R239-D258 VanDerWaalsContact NH2-CG 3.32Å; R239-D258 IonicContact NH2-OD1 3.84Å; R239-D258 PolarHBondContact NH2-OD1 3.13Å; R239-D258 IonicContact NH2-OD2 3.62Å; R239-D258 PolarHBondContact NH2-OD2 2.82Å; R239-D258 VanDerWaalsContact NH2-OD2 3.15Å; C256-D258 PolarHBondContact O-N 3.4Å; C256-D258 VanDerWaalsContact O-N 3.1Å; D258-L283 PolarHBondContact OD1-N 2.9Å; D258-S284 VanDerWaalsContact C-CB 3.45Å; D258-S284 VanDerWaalsContact O-CB 3.32Å; D258-S284 WeakPolarHBondContact O-CB 3.32Å
259	H	90.1	Very high	90.8	Very high	36 Å²	36	42.7 Å²	42.7	17%	0.167	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-31.3	-177.9	-63.3	-84.3	0	0	0	112.8	S180 E203 C256 Y261	S180-H259 WeakPolarHBondContact CB-O 3.48Å; S180-H259 PolarHBondContact OG-O 3.45Å; E203-H259 IonicContact OE1-CD2 2.81Å; E203-H259 IonicContact OE1-CE1 3.83Å; E203-H259 PolarHBondContact OE1-CE1 2.77Å; E203-H259 VanDerWaalsContact OE1-CE1 3.24Å; E203-H259 IonicContact OE1-NE2 2.72Å; E203-H259 PolarHBondContact OE1-NE2 2.83Å; C256-H259 HydrophobicContact CB-CB 4.32Å; C256-H259 PolarHBondContact O-N 2.79Å; H259-Y261 HydrophobicContact CB-CD1 3.54Å; H259-Y261 HydrophobicContact CB-CE1 3.27Å; H259-Y261 AromaticContact CG-CE1 3.77Å
260	G	89.7	Confident	91.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	92.2	4.8	177	0	0	0	0	0	115.1	F189 H255 C256	F189-G260 WeakPolarHBondContact CD2-O 3.5Å; F189-G260 WeakPolarHBondContact CE2-O 3.45Å; H255-G260 VanDerWaalsContact CE1-C 3.43Å; H255-G260 PolarHBondContact CE1-O 2.8Å; C256-G260 PolarHBondContact O-N 2.87Å
261	Y	85.5	Confident	91.5	Very high	60 Å²	60	33.4 Å²	33.4	24%	0.235	16%	0.158	C	C	.	.			trans	-108.1	161.7	173.3	64.4	-97.8	0	0	0	112.1	H255 C256 H259 V263	H255-Y261 PolarHBondContact ND1-O 3.13Å; C256-Y261 HydrophobicContact CB-CD2 4.38Å; C256-Y261 HydrophobicContact CB-CE2 4.15Å; C256-Y261 WeakPolarHBondContact CB-O 3.3Å; C256-Y261 PolarHBondContact N-O 3.06Å; H259-Y261 HydrophobicContact CB-CD1 3.54Å; H259-Y261 HydrophobicContact CB-CE1 3.27Å; H259-Y261 AromaticContact CG-CE1 3.77Å; Y261-V263 HydrophobicContact CD2-CG1 3.77Å; Y261-V263 HydrophobicContact CE2-CG1 3.46Å; Y261-V263 VanDerWaalsContact CE2-CG1 3.46Å
262	T	90.2	Very high	91.7	Very high	67 Å²	67	32.6 Å²	32.6	41%	0.411	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.4	176.2	-59.7	0	0	0	0	109.8	P253 V254 H255	P253-T262 HydrophobicContact CB-CG2 3.9Å; V254-T262 WeakPolarHBondContact O-CA 3.49Å; H255-T262 PolarHBondContact ND1-OG1 2.8Å
263	V	86.8	Confident	92	Very high	28 Å²	28	32.6 Å²	32.6	17%	0.17	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.5	173.4	-65.1	0	0	0	0	109.7	V229 P253 V254 Y261 S265	V229-V263 HydrophobicContact CG2-CG2 3.97Å; P253-V263 WeakPolarHBondContact CA-O 3.43Å; V254-V263 HydrophobicContact CB-CG2 4.24Å; V254-V263 PolarHBondContact N-O 3.25Å; V254-V263 PolarHBondContact O-N 3.27Å; Y261-V263 HydrophobicContact CD2-CG1 3.77Å; Y261-V263 HydrophobicContact CE2-CG1 3.46Å; Y261-V263 VanDerWaalsContact CE2-CG1 3.46Å; V263-S265 VanDerWaalsContact CG2-OG 3.32Å; V263-S265 WeakPolarHBondContact CG2-OG 3.4Å
264	E	88.3	Confident	92	Very high	117 Å²	117	32.3 Å²	32.3	55%	0.547	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	115.6	163.1	-69.2	-55.7	148.7	0	0	107.9	P253	P253-E264 WeakPolarHBondContact CB-OE1 3.42Å
265	S	89.6	Confident	91.8	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.4	-174.5	-74.1	0	0	0	0	111.3	V229 S251 L252 V263 F267	V229-S265 WeakPolarHBondContact CG2-OG 3.36Å; S251-S265 CarbonylContact C-O 3.56Å; S251-S265 VanDerWaalsContact CA-O 3.22Å; S251-S265 WeakPolarHBondContact CA-O 3.47Å; S251-S265 WeakPolarHBondContact CB-O 3.33Å; L252-S265 PolarHBondContact N-O 2.81Å; L252-S265 PolarHBondContact O-N 3.06Å; V263-S265 VanDerWaalsContact CG2-OG 3.32Å; V263-S265 WeakPolarHBondContact CG2-OG 3.4Å; S265-F267 PolarHBondContact O-N 3.42Å
266	P	91.2	Very high	91.6	Very high	35 Å²	35	36.6 Å²	36.6	23%	0.227	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	140.4	168.9	-25.3	34.2	0	0	0	109.8	R268 S269	P266-R268 HydrophobicContact CB-CG 3.97Å; P266-R268 PolarHBondContact O-N 2.95Å; P266-S269 WeakPolarHBondContact O-CA 3.08Å; P266-S269 WeakPolarHBondContact O-CB 3.45Å; P266-S269 PolarHBondContact O-N 3.13Å
267	F	90.8	Very high	91.5	Very high	54 Å²	54	37.6 Å²	37.6	24%	0.237	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-54.7	-35.3	-176.5	-171.4	-119.6	0	0	0	113.3	I216 L218 I221 L247 G250 L252 S265 S269 I270	I216-F267 HydrophobicContact CG2-CD2 4.27Å; I216-F267 HydrophobicContact CG2-CE2 3.45Å; I216-F267 VanDerWaalsContact CG2-CE2 3.45Å; I216-F267 HydrophobicContact CG2-CZ 3.67Å; I216-F267 WeakPolarHBondContact O-CZ 3.37Å; L218-F267 HydrophobicContact CB-CE1 4.46Å; L218-F267 HydrophobicContact CB-CZ 4.15Å; L218-F267 HydrophobicContact CD1-CE2 4.39Å; L218-F267 HydrophobicContact CD1-CZ 4.3Å; I221-F267 HydrophobicContact CD1-CD2 4.29Å; I221-F267 HydrophobicContact CD1-CE2 3.38Å; I221-F267 HydrophobicContact CD1-CZ 4.02Å; I221-F267 HydrophobicContact CG1-CE2 4.49Å; L247-F267 HydrophobicContact CD2-CB 3.76Å; L247-F267 HydrophobicContact CD2-CD2 4.06Å; L247-F267 HydrophobicContact CD2-CG 4.01Å; G250-F267 PolarHBondContact O-N 2.86Å; L252-F267 HydrophobicContact CD1-CD2 3.86Å; L252-F267 HydrophobicContact CD1-CE2 4.15Å; S265-F267 PolarHBondContact O-N 3.42Å; F267-S269 PolarHBondContact O-N 3.34Å; F267-I270 PolarHBondContact O-N 2.86Å; F267-I270 VanDerWaalsContact O-N 3.17Å
268	R	91.1	Very high	91.4	Very high	190 Å²	190	37.8 Å²	37.8	72%	0.717	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-63.7	-17.8	175.6	67.8	178.1	-176.5	-177.3	0.3	114.8	P266 I270 R271	P266-R268 HydrophobicContact CB-CG 3.97Å; P266-R268 PolarHBondContact O-N 2.95Å; R268-I270 VanDerWaalsContact C-N 3.33Å; R268-R271 PolarHBondContact O-NH1 2.93Å
269	S	94.5	Very high	91.1	Very high	8 Å²	8	44.4 Å²	44.4	6%	0.056	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-96.6	12.2	-179.8	-59.5	0	0	0	0	112	L230 W237 P266 F267	L230-S269 PolarHBondContact N-O 3.34Å; L230-S269 VanDerWaalsContact N-O 3.08Å; W237-S269 VanDerWaalsContact CZ3-O 3.28Å; W237-S269 WeakPolarHBondContact CZ3-O 3.34Å; P266-S269 WeakPolarHBondContact O-CA 3.08Å; P266-S269 WeakPolarHBondContact O-CB 3.45Å; P266-S269 PolarHBondContact O-N 3.13Å; F267-S269 PolarHBondContact O-N 3.34Å
270	I	94.9	Very high	91.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.6	176.1	-52.8	172.9	0	0	0	109	I216 C227 C228 V229 L252 V254 F267 R268	I216-I270 HydrophobicContact CB-CG2 4.42Å; I216-I270 HydrophobicContact CD1-CG2 4.19Å; I216-I270 HydrophobicContact CG2-CB 3.95Å; I216-I270 HydrophobicContact CG2-CG2 3.77Å; C227-I270 HydrophobicContact CB-CG2 3.74Å; C228-I270 CarbonylContact O-C 3.58Å; C228-I270 WeakPolarHBondContact O-CA 3.47Å; V229-I270 HydrophobicContact CG2-CG1 4.42Å; L252-I270 HydrophobicContact CB-CD1 3.96Å; L252-I270 HydrophobicContact CD1-CD1 4.18Å; V254-I270 HydrophobicContact CG2-CD1 3.61Å; V254-I270 HydrophobicContact CG2-CG1 4.19Å; F267-I270 PolarHBondContact O-N 2.86Å; F267-I270 VanDerWaalsContact O-N 3.17Å; R268-I270 VanDerWaalsContact C-N 3.33Å
271	R	95.4	Very high	91.5	Very high	45 Å²	45	45.6 Å²	45.6	17%	0.17	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	160.4	180	-66.1	-71	-178.9	-83.7	-2.9	110.5	L213 P214 C228 W237 R268	L213-R271 HydrophobicContact CB-CB 4.09Å; L213-R271 HydrophobicContact CB-CG 4.4Å; L213-R271 WeakPolarHBondContact O-CD 3.35Å; P214-R271 WeakPolarHBondContact O-CA 3.44Å; P214-R271 VanDerWaalsContact O-CD 3.3Å; P214-R271 WeakPolarHBondContact O-CD 3.49Å; C228-R271 HydrophobicContact CB-CB 4.16Å; C228-R271 PolarHBondContact N-O 3.35Å; C228-R271 PolarHBondContact O-N 3.03Å; W237-R271 HydrophobicContact CE3-CG 4.34Å; W237-R271 HydrophobicContact CH2-CG 3.51Å; W237-R271 HydrophobicContact CZ2-CG 4.45Å; W237-R271 HydrophobicContact CZ3-CB 4Å; W237-R271 HydrophobicContact CZ3-CG 3.44Å; W237-R271 VanDerWaalsContact CZ3-CG 3.44Å; R268-R271 PolarHBondContact O-NH1 2.93Å
272	E	94.6	Very high	91.9	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	141.3	168.3	-68.5	-66	173.8	0	0	110.4	H149 P214 K225	H149-E272 HydrophobicContact CB-CB 4.08Å; P214-E272 HydrophobicContact CB-CB 4.38Å; P214-E272 HydrophobicContact CB-CG 4.22Å; P214-E272 PolarHBondContact O-N 3.13Å; K225-E272 WeakPolarHBondContact CE-OE2 3.03Å; K225-E272 VanDerWaalsContact NZ-CD 3.33Å; K225-E272 IonicContact NZ-OE1 2.6Å; K225-E272 PolarHBondContact NZ-OE1 3.33Å; K225-E272 IonicContact NZ-OE2 2.77Å; K225-E272 PolarHBondContact NZ-OE2 3.33Å
273	L	95.3	Very high	92.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-92.6	132.8	178.3	-169.5	66.7	0	0	0	110.2	Y157 L206 P226 C228 R239 V275 M277 I278	Y157-L273 HydrophobicContact CE1-CD2 4.03Å; Y157-L273 WeakPolarHBondContact OH-CD2 3.49Å; L206-L273 HydrophobicContact CD1-CD1 4.23Å; L206-L273 HydrophobicContact CD2-CD1 3.88Å; P226-L273 HydrophobicContact CB-CD2 4.09Å; C228-L273 HydrophobicContact CB-CD1 4.01Å; R239-L273 HydrophobicContact CG-CD1 4.1Å; R239-L273 HydrophobicContact CG-CD2 4.21Å; L273-V275 PolarHBondContact O-N 3.28Å; L273-M277 HydrophobicContact CD1-CB 3.93Å; L273-M277 HydrophobicContact CD2-CB 4.23Å; L273-M277 HydrophobicContact CG-CB 3.93Å; L273-I278 HydrophobicContact CB-CD1 4.48Å; L273-I278 HydrophobicContact CB-CG1 4.37Å; L273-I278 HydrophobicContact CD2-CG1 3.72Å; L273-I278 HydrophobicContact CG-CG1 4.11Å
274	P	91.7	Very high	92.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-57.6	136.7	173.3	-26.3	35.8	0	0	0	111.8	L213 K276 M277 I278	L213-P274 HydrophobicContact CD2-CG 3.49Å; L213-P274 VanDerWaalsContact CD2-CG 3.49Å; P274-K276 HydrophobicContact CB-CG 4.08Å; P274-K276 PolarHBondContact O-N 3.34Å; P274-K276 VanDerWaalsContact O-N 3.14Å; P274-M277 HydrophobicContact CB-CG 4.41Å; P274-M277 WeakPolarHBondContact O-CA 3.16Å; P274-M277 WeakPolarHBondContact O-CB 3.25Å; P274-M277 PolarHBondContact O-N 3.45Å; P274-I278 PolarHBondContact O-N 3.09Å
275	V	87.7	Confident	92.8	Very high	32 Å²	32	33.5 Å²	33.5	19%	0.194	15%	0.15	C	C	.	.	H	α-helix	trans	-56.6	-35.5	-178.1	166.2	0	0	0	0	111.9	L148 L273 M277 I278 K279	L148-V275 VanDerWaalsContact C-CG2 3.5Å; L148-V275 HydrophobicContact CB-CB 4.21Å; L148-V275 HydrophobicContact CB-CG2 3.96Å; L148-V275 WeakPolarHBondContact O-CB 3.42Å; L148-V275 VanDerWaalsContact O-CG2 3.3Å; L148-V275 WeakPolarHBondContact O-CG2 3.2Å; L148-V275 PolarHBondContact O-N 3.23Å; L273-V275 PolarHBondContact O-N 3.28Å; V275-M277 PolarHBondContact O-N 2.88Å; V275-I278 WeakPolarHBondContact O-CB 3.31Å; V275-I278 PolarHBondContact O-N 3.4Å; V275-K279 PolarHBondContact O-N 2.99Å
276	K	89.4	Confident	93	Very high	67 Å²	67	34.8 Å²	34.8	29%	0.291	16%	0.155	S	C	.	.	H	α-helix	trans	-58.6	-31.3	174.7	65.3	176.5	173	180	0	113.6	E146 Y205 P274	E146-K276 HydrophobicContact CG-CD 4.39Å; E146-K276 IonicContact OE1-NZ 2.9Å; E146-K276 PolarHBondContact OE1-NZ 3.34Å; Y205-K276 VanDerWaalsContact CZ-CE 3.49Å; Y205-K276 VanDerWaalsContact CZ-NZ 3.31Å; Y205-K276 WeakPolarHBondContact OH-CE 3.44Å; Y205-K276 PolarHBondContact OH-NZ 2.84Å; P274-K276 HydrophobicContact CB-CG 4.08Å; P274-K276 PolarHBondContact O-N 3.34Å; P274-K276 VanDerWaalsContact O-N 3.14Å
277	M	93.7	Very high	93	Very high	21 Å²	21	33.1 Å²	33.1	10%	0.103	14%	0.144	C	C	.	.	H	α-helix	trans	-81.4	-17.3	177.1	-69.2	-60.8	-173.3	0	0	112.9	M202 Y205 L206 R239 L273 P274 V275	M202-M277 HydrophobicContact CB-CE 4.37Å; M202-M277 HydrophobicContact CB-SD 4.31Å; M202-M277 HydrophobicContact CG-CE 4.31Å; M202-M277 HydrophobicContact CG-SD 3.96Å; M202-M277 HydrophobicContact SD-SD 4.15Å; Y205-M277 HydrophobicContact CD1-CE 3.14Å; Y205-M277 HydrophobicContact CE1-CE 3.75Å; Y205-M277 HydrophobicContact CG-CE 3.65Å; L206-M277 HydrophobicContact CD2-CG 4.31Å; R239-M277 PolarHBondContact NH1-O 2.98Å; L273-M277 HydrophobicContact CD1-CB 3.93Å; L273-M277 HydrophobicContact CD2-CB 4.23Å; L273-M277 HydrophobicContact CG-CB 3.93Å; P274-M277 HydrophobicContact CB-CG 4.41Å; P274-M277 WeakPolarHBondContact O-CA 3.16Å; P274-M277 WeakPolarHBondContact O-CB 3.25Å; P274-M277 PolarHBondContact O-N 3.45Å; V275-M277 PolarHBondContact O-N 2.88Å
278	I	92.1	Very high	92.9	Very high	11 Å²	11	33.1 Å²	33.1	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-81.6	-35.4	177.3	-59.7	173.6	0	0	0	110.8	A150 D155 Y157 P158 P226 L273 P274 V275 R280	A150-I278 HydrophobicContact CB-CD1 3.25Å; D155-I278 HydrophobicContact CB-CD1 4.36Å; Y157-I278 HydrophobicContact CD1-CG2 4.49Å; P158-I278 WeakPolarHBondContact CD-O 3.26Å; P226-I278 HydrophobicContact CB-CD1 4.06Å; P226-I278 HydrophobicContact CB-CG1 4.06Å; P226-I278 HydrophobicContact CG-CD1 4.41Å; P226-I278 HydrophobicContact CG-CG2 4.29Å; L273-I278 HydrophobicContact CB-CD1 4.48Å; L273-I278 HydrophobicContact CB-CG1 4.37Å; L273-I278 HydrophobicContact CD2-CG1 3.72Å; L273-I278 HydrophobicContact CG-CG1 4.11Å; P274-I278 PolarHBondContact O-N 3.09Å; V275-I278 WeakPolarHBondContact O-CB 3.31Å; V275-I278 PolarHBondContact O-N 3.4Å; I278-R280 PolarHBondContact O-N 3.5Å
279	K	91.1	Very high	92.7	Very high	144 Å²	144	24.2 Å²	24.2	63%	0.626	11%	0.111	S	C	*	.	S	Bend	trans	-56.8	-22	-179.8	-69.4	178.7	-178.9	176.6	0	113.7	P158 V275	P158-K279 WeakPolarHBondContact CG-O 3.36Å; V275-K279 PolarHBondContact O-N 2.99Å
280	R	93.9	Very high	92.3	Very high	53 Å²	53	26 Å²	26	20%	0.2	12%	0.118	C	C	.	.	S	Bend	trans	-88.7	128.4	176.2	-169.9	65.6	173.3	142.2	-0.1	110.2	E166 E198 R239 I278 L283	E166-R280 IonicContact OE1-CZ 3.02Å; E166-R280 IonicContact OE1-NH1 3.56Å; E166-R280 PolarHBondContact OE1-NH1 3.45Å; E166-R280 IonicContact OE1-NH2 3.53Å; E166-R280 PolarHBondContact OE1-NH2 3.1Å; E166-R280 IonicContact OE2-CZ 3.54Å; E166-R280 IonicContact OE2-NH1 3.63Å; E166-R280 IonicContact OE2-NH2 2.72Å; E166-R280 PolarHBondContact OE2-NH2 3.22Å; E198-R280 WeakPolarHBondContact OE1-CD 3.33Å; E198-R280 IonicContact OE1-CZ 3.41Å; E198-R280 IonicContact OE1-NE 3.45Å; E198-R280 PolarHBondContact OE1-NE 3.31Å; E198-R280 IonicContact OE1-NH2 3.15Å; E198-R280 IonicContact OE2-CZ 2.93Å; E198-R280 IonicContact OE2-NE 3.65Å; E198-R280 IonicContact OE2-NH2 3.68Å; E198-R280 PolarHBondContact OE2-NH2 2.82Å; R239-R280 PolarHBondContact NH1-O 3.25Å; I278-R280 PolarHBondContact O-N 3.5Å; R280-L283 HydrophobicContact CG-CD2 4.41Å
281	P	93.5	Very high	91	Very high	8 Å²	8	29.1 Å²	29.1	5%	0.052	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-58.6	156.5	174.2	-19.2	29.2	0	0	0	112.1	P158 L163 R239 L283	P158-P281 HydrophobicContact CB-CG 4.15Å; P158-P281 HydrophobicContact CG-CG 4.38Å; L163-P281 HydrophobicContact CD1-CB 4.06Å; L163-P281 HydrophobicContact CD2-CB 4.1Å; L163-P281 HydrophobicContact CD2-CG 4.01Å; L163-P281 HydrophobicContact CG-CB 3.99Å; L163-P281 HydrophobicContact CG-CG 4.25Å; R239-P281 PolarHBondContact NH2-O 3.36Å; P281-L283 PolarHBondContact O-N 3.04Å
282	P	95.2	Very high	88.9	Confident	14 Å²	14	29.2 Å²	29.2	9%	0.091	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-58.9	131	170.2	-28	37.5	0	0	0	110.9	Y157 Q160 L163 V257 S284	Y157-P282 HydrophobicContact CD1-CG 4.18Å; Y157-P282 HydrophobicContact CD2-CG 4.25Å; Y157-P282 HydrophobicContact CG-CG 3.82Å; Q160-P282 HydrophobicContact CG-CB 4.21Å; Q160-P282 HydrophobicContact CG-CG 4.43Å; Q160-P282 PolarHBondContact NE2-O 3.29Å; L163-P282 WeakPolarHBondContact CD1-O 3.36Å; V257-P282 HydrophobicContact CB-CB 3.77Å; V257-P282 HydrophobicContact CB-CG 3.93Å; V257-P282 HydrophobicContact CG2-CB 3.96Å; V257-P282 HydrophobicContact CG2-CG 4.05Å; V257-P282 WeakPolarHBondContact O-CB 3.49Å; P282-S284 VanDerWaalsContact C-N 3.29Å; P282-S284 PolarHBondContact O-N 3.13Å
283	L	96.3	Very high	86.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-93	21.4	-168	-64.6	-175	0	0	0	113.9	L163 T191 W195 E198 V199 M202 D258 R280 P281	L163-L283 HydrophobicContact CD1-CD2 3.88Å; L163-L283 HydrophobicContact CD2-CD2 3.77Å; T191-L283 PolarHBondContact OG1-O 3.29Å; W195-L283 HydrophobicContact CB-CB 4.08Å; W195-L283 HydrophobicContact CB-CD1 4.45Å; W195-L283 VanDerWaalsContact CE3-O 3.29Å; W195-L283 HydrophobicContact CG-CB 4.34Å; W195-L283 HydrophobicContact CG-CD2 4.3Å; E198-L283 HydrophobicContact CB-CD1 3.85Å; E198-L283 HydrophobicContact CG-CD1 3.85Å; V199-L283 HydrophobicContact CG2-CB 3.82Å; V199-L283 HydrophobicContact CG2-CD1 3.81Å; V199-L283 HydrophobicContact CG2-CG 4.38Å; M202-L283 HydrophobicContact CE-CD1 3.45Å; M202-L283 VanDerWaalsContact CE-CD1 3.45Å; M202-L283 HydrophobicContact CE-CG 4.21Å; D258-L283 PolarHBondContact OD1-N 2.9Å; R280-L283 HydrophobicContact CG-CD2 4.41Å; P281-L283 PolarHBondContact O-N 3.04Å
284	S	94.3	Very high	83.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.007	22%	0.223	C	C	.	.	S	Bend	trans	-132.9	107.5	178.6	-177.4	0	0	0	0	110.5	Q160 S180 F189 I190 D258 P282	Q160-S284 VanDerWaalsContact NE2-C 3.3Å; Q160-S284 PolarHBondContact NE2-O 3.22Å; S180-S284 PolarHBondContact OG-OG 3.17Å; F189-S284 WeakPolarHBondContact CB-OG 3.42Å; I190-S284 CarbonylContact O-C 3.58Å; I190-S284 WeakPolarHBondContact O-CA 3.27Å; D258-S284 VanDerWaalsContact C-CB 3.45Å; D258-S284 VanDerWaalsContact O-CB 3.32Å; D258-S284 WeakPolarHBondContact O-CB 3.32Å; P282-S284 VanDerWaalsContact C-N 3.29Å; P282-S284 PolarHBondContact O-N 3.13Å
285	L	93.5	Very high	81.7	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.2	-172.1	-74.1	170.7	0	0	0	111.8	Q160 L164 I167 F189 I190 W195 C287	Q160-L285 HydrophobicContact CB-CD2 3.54Å; Q160-L285 HydrophobicContact CG-CD2 4.5Å; L164-L285 HydrophobicContact CD2-CD1 3.52Å; L164-L285 HydrophobicContact CD2-CD2 4.47Å; I167-L285 HydrophobicContact CD1-CD1 4.31Å; F189-L285 CarbonylContact C-O 3.55Å; F189-L285 VanDerWaalsContact CA-O 3.29Å; F189-L285 WeakPolarHBondContact CA-O 3.26Å; I190-L285 HydrophobicContact CG1-CB 3.91Å; I190-L285 PolarHBondContact N-O 3.25Å; I190-L285 PolarHBondContact O-N 3.22Å; W195-L285 HydrophobicContact CH2-CD1 3.51Å; W195-L285 HydrophobicContact CH2-CG 4.11Å; W195-L285 HydrophobicContact CZ3-CD1 3.75Å; W195-L285 HydrophobicContact CZ3-CG 4.01Å; L285-C287 PolarHBondContact O-SG 3.14Å; L285-C287 VanDerWaalsContact O-SG 3.41Å
286	M	93	Very high	79.7	Confident	31 Å²	31	43.6 Å²	43.6	15%	0.153	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.5	170.3	-169.5	168.3	63.5	0	0	110.3	R187 F188 F189 R324 C325	R187-M286 HydrophobicContact CG-SD 4.4Å; F188-M286 CarbonylContact O-C 3.16Å; F189-M286 HydrophobicContact CD1-CB 3.99Å; F189-M286 HydrophobicContact CE1-CB 3.63Å; F189-M286 HydrophobicContact CE1-CG 3.96Å; F189-M286 HydrophobicContact CE1-SD 4.38Å; F189-M286 HydrophobicContact CZ-CB 4.19Å; F189-M286 HydrophobicContact CZ-CG 3.99Å; F189-M286 HydrophobicContact CZ-SD 4.08Å; M286-R324 HydrophobicContact CE-CB 3.93Å; M286-R324 HydrophobicContact CE-CG 4.35Å; M286-R324 HydrophobicContact CG-CG 4.27Å; M286-R324 CarbonylContact O-C 3.51Å; M286-R324 VanDerWaalsContact O-CA 3.29Å; M286-R324 WeakPolarHBondContact O-CA 3.24Å; M286-C325 PolarHBondContact O-N 2.85Å
287	C	91.6	Very high	78.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.1	-173.4	-66.9	0	0	0	0	112.2	R187 F188 I190 L285 C325 V327	R187-C287 WeakPolarHBondContact CA-O 3.48Å; F188-C287 HydrophobicContact CD1-CB 4.26Å; F188-C287 WeakPolarHBondContact CD1-O 3.4Å; F188-C287 HydrophobicContact CD2-CB 4.04Å; F188-C287 HydrophobicContact CE1-CB 3.83Å; F188-C287 HydrophobicContact CE2-CB 3.6Å; F188-C287 HydrophobicContact CG-CB 4.36Å; F188-C287 HydrophobicContact CZ-CB 3.49Å; F188-C287 VanDerWaalsContact CZ-CB 3.49Å; F188-C287 PolarHBondContact N-O 3.1Å; F188-C287 VanDerWaalsContact N-O 3.08Å; F188-C287 PolarHBondContact O-N 3.21Å; I190-C287 VanDerWaalsContact CD1-SG 3.6Å; L285-C287 PolarHBondContact O-SG 3.14Å; L285-C287 VanDerWaalsContact O-SG 3.41Å; C287-C325 CarbonylContact C-O 3.49Å; C287-C325 WeakPolarHBondContact CA-O 3.31Å; C287-V327 HydrophobicContact CB-CG1 4.4Å; C287-V327 HydrophobicContact CB-CG2 4.14Å
288	K	88.9	Confident	76.9	Confident	54 Å²	54	43 Å²	43	24%	0.235	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.6	162.3	66.7	176.5	-178.8	-176.8	0	110	P185 N186 C325 T326 V327	P185-K288 CarbonylContact O-C 3.6Å; P185-K288 WeakPolarHBondContact O-CA 3.44Å; N186-K288 WeakPolarHBondContact O-CB 3.47Å; K288-C325 PolarHBondContact N-O 3.29Å; K288-T326 WeakPolarHBondContact CE-OG1 3.4Å; K288-T326 HydrophobicContact CG-CG2 4.19Å; K288-T326 CarbonylContact O-C 3.52Å; K288-T326 WeakPolarHBondContact O-CA 3.48Å; K288-V327 PolarHBondContact O-N 3.34Å
289	V	87.2	Confident	76.1	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	136.1	175.4	179.4	0	0	0	0	108.2	P185 F188 L291 Y295 V327 L329	P185-V289 HydrophobicContact CB-CB 4.27Å; P185-V289 HydrophobicContact CB-CG2 4.1Å; P185-V289 PolarHBondContact O-N 3.43Å; F188-V289 HydrophobicContact CD1-CG2 4.5Å; F188-V289 HydrophobicContact CE1-CG2 3.58Å; F188-V289 HydrophobicContact CZ-CG2 4.01Å; V289-L291 HydrophobicContact CB-CD2 4.29Å; V289-L291 HydrophobicContact CG1-CD2 4.18Å; V289-L291 PolarHBondContact O-N 3.23Å; V289-Y295 HydrophobicContact CG1-CE2 4.15Å; V289-V327 CarbonylContact C-O 3.51Å; V289-V327 WeakPolarHBondContact CA-O 3.47Å; V289-L329 HydrophobicContact CG2-CD1 3.82Å; V289-L329 HydrophobicContact CG2-CG 4.32Å
290	E	85.8	Confident	75.5	Confident	44 Å²	44	45.1 Å²	45.1	21%	0.206	28%	0.281	C	S	.	.			trans	-70.3	98.6	168.5	-168.6	-169.3	-92.8	0	0	109.6	G292 T318 T326 V327 K328 R337	E290-G292 VanDerWaalsContact C-N 3.33Å; E290-G292 PolarHBondContact O-N 3.23Å; E290-G292 VanDerWaalsContact O-N 3.1Å; E290-T318 WeakPolarHBondContact OE1-CB 3.5Å; E290-T318 VanDerWaalsContact OE1-CG2 3.31Å; E290-T318 WeakPolarHBondContact OE1-CG2 3.47Å; E290-T318 PolarHBondContact OE1-OG1 2.61Å; E290-T326 HydrophobicContact CB-CG2 3.79Å; E290-T326 HydrophobicContact CG-CG2 4.16Å; E290-V327 PolarHBondContact N-O 2.89Å; E290-K328 HydrophobicContact CB-CG 4.1Å; E290-K328 WeakPolarHBondContact OE2-CE 2.99Å; E290-K328 IonicContact OE2-NZ 2.89Å; E290-R337 PolarHBondContact O-NH2 3.24Å; E290-R337 IonicContact OE2-CZ 3.7Å; E290-R337 IonicContact OE2-NH1 3.82Å; E290-R337 IonicContact OE2-NH2 2.69Å; E290-R337 PolarHBondContact OE2-NH2 3.43Å
291	L	67.3	Low	74.9	Confident	68 Å²	68	46.1 Å²	46.1	36%	0.356	29%	0.288	S	S	.	.			trans	-78.9	83.8	170.7	-52.6	179.3	0	0	0	107.5	V289 G293 Y295	V289-L291 HydrophobicContact CB-CD2 4.29Å; V289-L291 HydrophobicContact CG1-CD2 4.18Å; V289-L291 PolarHBondContact O-N 3.23Å; L291-G293 VanDerWaalsContact C-N 3.26Å; L291-G293 PolarHBondContact O-N 3.43Å; L291-Y295 HydrophobicContact CB-CD2 4.34Å; L291-Y295 HydrophobicContact CB-CG 4.31Å; L291-Y295 HydrophobicContact CD2-CD1 3.47Å; L291-Y295 VanDerWaalsContact CD2-CD1 3.47Å; L291-Y295 HydrophobicContact CD2-CD2 3.3Å; L291-Y295 HydrophobicContact CD2-CE1 3.83Å; L291-Y295 HydrophobicContact CD2-CE2 3.65Å; L291-Y295 HydrophobicContact CD2-CG 3.16Å; L291-Y295 HydrophobicContact CG-CD2 4.37Å; L291-Y295 HydrophobicContact CG-CG 4.21Å
292	G	51.3	Low	74.2	Confident	47 Å²	47	45.9 Å²	45.9	49%	0.485	29%	0.286	S	S	.	.			trans	-68.8	79.4	-179.5	0	0	0	0	0	111.7	E290 L294	E290-G292 VanDerWaalsContact C-N 3.33Å; E290-G292 PolarHBondContact O-N 3.23Å; E290-G292 VanDerWaalsContact O-N 3.1Å; G292-L294 WeakPolarHBondContact O-CB 3.29Å; G292-L294 PolarHBondContact O-N 3.45Å
293	G	41.7	Very low	73.6	Confident	84 Å²	84	48.1 Å²	48.1	87%	0.866	30%	0.297	S	S	*	.	S	Bend	trans	56.6	-7.7	171.2	0	0	0	0	0	118.2	L291	L291-G293 VanDerWaalsContact C-N 3.26Å; L291-G293 PolarHBondContact O-N 3.43Å
294	L	41.4	Very low	73.1	Confident	135 Å²	135	53.1 Å²	53.1	71%	0.707	32%	0.32	S	S	*	.			trans	-143.7	24.9	-164.6	-80.8	163	0	0	0	111.5	G292 G296 L341	G292-L294 WeakPolarHBondContact O-CB 3.29Å; G292-L294 PolarHBondContact O-N 3.45Å; L294-G296 VanDerWaalsContact C-N 3.26Å; L294-G296 PolarHBondContact O-N 3.1Å; L294-L341 WeakPolarHBondContact O-CD1 3.49Å
295	Y	46.1	Very low	72.6	Confident	57 Å²	57	55.5 Å²	55.5	22%	0.224	33%	0.33	C	S	.	.			trans	-74.3	90.8	169.1	-130.9	-98.7	0	0	0	109	V289 L291 C302 S339	V289-Y295 HydrophobicContact CG1-CE2 4.15Å; L291-Y295 HydrophobicContact CB-CD2 4.34Å; L291-Y295 HydrophobicContact CB-CG 4.31Å; L291-Y295 HydrophobicContact CD2-CD1 3.47Å; L291-Y295 VanDerWaalsContact CD2-CD1 3.47Å; L291-Y295 HydrophobicContact CD2-CD2 3.3Å; L291-Y295 HydrophobicContact CD2-CE1 3.83Å; L291-Y295 HydrophobicContact CD2-CE2 3.65Å; L291-Y295 HydrophobicContact CD2-CG 3.16Å; L291-Y295 HydrophobicContact CG-CD2 4.37Å; L291-Y295 HydrophobicContact CG-CG 4.21Å; Y295-C302 HydrophobicContact CE1-CB 4.43Å; Y295-C302 PolarHBondContact OH-SG 2.98Å; Y295-S339 WeakPolarHBondContact CE2-O 3.36Å
296	G	47.2	Very low	72.2	Confident	68 Å²	68	55.3 Å²	55.3	70%	0.701	33%	0.329	S	S	*	.			trans	-92.2	-1.4	168.5	0	0	0	0	0	113.2	L294	L294-G296 VanDerWaalsContact C-N 3.26Å; L294-G296 PolarHBondContact O-N 3.1Å
297	G	55.5	Low	71.9	Confident	18 Å²	18	56.2 Å²	56.2	19%	0.186	34%	0.339	C	S	.	.	S	Bend	trans	-82.2	145	177.6	0	0	0	0	0	111.6	E301	G297-E301 VanDerWaalsContact CA-OE2 3.28Å; G297-E301 WeakPolarHBondContact CA-OE2 3.31Å
298	S	67.7	Low	71.7	Confident	57 Å²	57	62.8 Å²	62.8	40%	0.399	37%	0.367	S	S	.	.			trans	-75.5	162.8	176.7	82.2	0	0	0	0	111.7	E300 E301 C302	S298-E300 WeakPolarHBondContact CB-OE2 3.41Å; S298-E300 PolarHBondContact O-N 3.46Å; S298-E300 PolarHBondContact OG-N 2.97Å; S298-E300 PolarHBondContact OG-OE2 2.86Å; S298-E301 PolarHBondContact O-N 3.22Å; S298-E301 VanDerWaalsContact O-N 3.15Å; S298-E301 PolarHBondContact OG-N 3.14Å; S298-C302 PolarHBondContact O-N 3.24Å
299	D	75.5	Confident	71.5	Confident	70 Å²	70	64.6 Å²	64.6	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-57.1	-35	176.1	-74.7	4.6	0	0	0	111.2	P185 C302 L303	P185-D299 WeakPolarHBondContact CD-OD1 2.99Å; P185-D299 WeakPolarHBondContact CD-OD2 3.48Å; P185-D299 HydrophobicContact CG-CB 4.23Å; P185-D299 VanDerWaalsContact CG-OD1 3.31Å; P185-D299 WeakPolarHBondContact CG-OD1 3.25Å; D299-C302 PolarHBondContact O-N 3.48Å; D299-L303 WeakPolarHBondContact O-CB 3.5Å; D299-L303 PolarHBondContact O-N 3.27Å
300	E	78.2	Confident	71.3	Confident	131 Å²	131	66.9 Å²	66.9	61%	0.612	40%	0.398	S	S	*	.	H	α-helix	trans	-65.4	-41.8	176.7	-59.4	77	-165.4	0	0	112.6	S298 C302 L303 E304	S298-E300 WeakPolarHBondContact CB-OE2 3.41Å; S298-E300 PolarHBondContact O-N 3.46Å; S298-E300 PolarHBondContact OG-N 2.97Å; S298-E300 PolarHBondContact OG-OE2 2.86Å; E300-C302 VanDerWaalsContact C-N 3.29Å; E300-C302 PolarHBondContact O-N 3.13Å; E300-L303 PolarHBondContact O-N 3.41Å; E300-E304 PolarHBondContact O-N 3.25Å
301	E	80.8	Confident	71.5	Confident	74 Å²	74	68.2 Å²	68.2	35%	0.346	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-40	178.2	-166.8	-163.5	153	0	0	110.7	G297 S298 E304 K305	G297-E301 VanDerWaalsContact CA-OE2 3.28Å; G297-E301 WeakPolarHBondContact CA-OE2 3.31Å; S298-E301 PolarHBondContact O-N 3.22Å; S298-E301 VanDerWaalsContact O-N 3.15Å; S298-E301 PolarHBondContact OG-N 3.14Å; E301-E304 PolarHBondContact O-N 3.35Å; E301-K305 WeakPolarHBondContact O-CG 3.38Å; E301-K305 PolarHBondContact O-N 3.07Å; E301-K305 VanDerWaalsContact O-N 3.13Å; E301-K305 WeakPolarHBondContact OE1-CE 3.38Å; E301-K305 IonicContact OE1-NZ 3.33Å; E301-K305 PolarHBondContact OE1-NZ 3.49Å
302	C	79.6	Confident	72.8	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.014	40%	0.403	C	S	.	.	H	α-helix	trans	-64.7	-46.1	176.6	-165.1	0	0	0	0	111.1	W182 P185 Y295 S298 D299 E300 E304 K305 V306	W182-C302 HydrophobicContact CH2-CB 4.29Å; W182-C302 VanDerWaalsContact CH2-SG 3.57Å; W182-C302 HydrophobicContact CZ2-CB 4.2Å; P185-C302 HydrophobicContact CG-CB 4.03Å; Y295-C302 HydrophobicContact CE1-CB 4.43Å; Y295-C302 PolarHBondContact OH-SG 2.98Å; S298-C302 PolarHBondContact O-N 3.24Å; D299-C302 PolarHBondContact O-N 3.48Å; E300-C302 VanDerWaalsContact C-N 3.29Å; E300-C302 PolarHBondContact O-N 3.13Å; C302-E304 PolarHBondContact O-N 2.87Å; C302-K305 PolarHBondContact O-N 2.9Å; C302-V306 WeakPolarHBondContact O-CG2 3.46Å; C302-V306 PolarHBondContact O-N 3.48Å
303	L	82.5	Confident	74.8	Confident	62 Å²	62	66.1 Å²	66.1	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-58.7	-43.1	175.7	177.7	55.7	0	0	0	112.2	W182 D299 E300 K305 V306 S307 F311	W182-L303 HydrophobicContact CD2-CD1 4.27Å; W182-L303 HydrophobicContact CG-CD1 3.92Å; W182-L303 HydrophobicContact CZ2-CB 4.43Å; D299-L303 WeakPolarHBondContact O-CB 3.5Å; D299-L303 PolarHBondContact O-N 3.27Å; E300-L303 PolarHBondContact O-N 3.41Å; L303-K305 VanDerWaalsContact C-N 3.32Å; L303-K305 PolarHBondContact O-N 2.91Å; L303-V306 HydrophobicContact CD1-CG2 4.28Å; L303-V306 WeakPolarHBondContact O-CG2 3.35Å; L303-V306 PolarHBondContact O-N 3.06Å; L303-S307 VanDerWaalsContact O-CB 3.25Å; L303-S307 WeakPolarHBondContact O-CB 3.21Å; L303-S307 PolarHBondContact O-N 3.09Å; L303-S307 PolarHBondContact O-OG 3.1Å; L303-F311 HydrophobicContact CD1-CE1 3.91Å; L303-F311 HydrophobicContact CD1-CZ 4.03Å
304	E	85.1	Confident	77.4	Confident	104 Å²	104	62.1 Å²	62.1	49%	0.486	34%	0.338	S	S	.	.	H	α-helix	trans	-60.5	-43	177.2	-162.7	-162.7	146	0	0	111.2	E300 E301 C302 S307 K308	E300-E304 PolarHBondContact O-N 3.25Å; E301-E304 PolarHBondContact O-N 3.35Å; C302-E304 PolarHBondContact O-N 2.87Å; E304-S307 WeakPolarHBondContact CA-OG 3.34Å; E304-S307 PolarHBondContact O-OG 3.27Å; E304-K308 WeakPolarHBondContact O-CG 3.47Å; E304-K308 PolarHBondContact O-N 3.05Å; E304-K308 VanDerWaalsContact O-N 3.13Å; E304-K308 VanDerWaalsContact OE1-CE 3.28Å; E304-K308 WeakPolarHBondContact OE1-CE 3.24Å; E304-K308 IonicContact OE1-NZ 2.77Å; E304-K308 PolarHBondContact OE1-NZ 3.06Å
305	K	85	Confident	80	Confident	51 Å²	51	55.7 Å²	55.7	22%	0.222	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-42.5	178.5	-69	175.8	-173.9	168.6	0	112.6	E301 C302 L303 Y309 I338	E301-K305 WeakPolarHBondContact O-CG 3.38Å; E301-K305 PolarHBondContact O-N 3.07Å; E301-K305 VanDerWaalsContact O-N 3.13Å; E301-K305 WeakPolarHBondContact OE1-CE 3.38Å; E301-K305 IonicContact OE1-NZ 3.33Å; E301-K305 PolarHBondContact OE1-NZ 3.49Å; C302-K305 PolarHBondContact O-N 2.9Å; L303-K305 VanDerWaalsContact C-N 3.32Å; L303-K305 PolarHBondContact O-N 2.91Å; K305-Y309 WeakPolarHBondContact O-CD2 3.28Å; K305-Y309 VanDerWaalsContact O-CE2 3.29Å; K305-Y309 WeakPolarHBondContact O-CE2 3.27Å; K305-I338 HydrophobicContact CB-CG2 3.57Å; K305-I338 HydrophobicContact CD-CG2 4.01Å; K305-I338 WeakPolarHBondContact CD-O 3.35Å; K305-I338 HydrophobicContact CG-CG2 4.42Å
306	V	85.2	Confident	82.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-73	-34.5	178.6	-69.3	0	0	0	0	112.6	I179 W182 C302 L303 Y309 F311 V313 L329 I338	I179-V306 HydrophobicContact CD1-CB 3.88Å; I179-V306 HydrophobicContact CD1-CG1 3.76Å; I179-V306 HydrophobicContact CD1-CG2 4.25Å; W182-V306 HydrophobicContact CD2-CG2 4.46Å; W182-V306 HydrophobicContact CE3-CG2 4.14Å; W182-V306 HydrophobicContact CH2-CG2 4.34Å; W182-V306 HydrophobicContact CZ3-CG1 4.45Å; W182-V306 HydrophobicContact CZ3-CG2 4.08Å; C302-V306 WeakPolarHBondContact O-CG2 3.46Å; C302-V306 PolarHBondContact O-N 3.48Å; L303-V306 HydrophobicContact CD1-CG2 4.28Å; L303-V306 WeakPolarHBondContact O-CG2 3.35Å; L303-V306 PolarHBondContact O-N 3.06Å; V306-Y309 PolarHBondContact O-N 3.23Å; V306-F311 HydrophobicContact CG2-CD1 4.36Å; V306-F311 HydrophobicContact CG2-CE1 4.25Å; V306-F311 PolarHBondContact O-N 2.89Å; V306-F311 VanDerWaalsContact O-N 3.13Å; V306-V313 HydrophobicContact CG1-CG1 4.04Å; V306-L329 HydrophobicContact CG1-CD1 4.11Å; V306-I338 HydrophobicContact CG1-CD1 4.29Å; V306-I338 HydrophobicContact CG1-CG2 4.32Å
307	S	87	Confident	84.4	Confident	50 Å²	50	54.1 Å²	54.1	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-69.1	-32.4	178.6	59.2	0	0	0	0	112.8	L303 E304 Y309 G310	L303-S307 VanDerWaalsContact O-CB 3.25Å; L303-S307 WeakPolarHBondContact O-CB 3.21Å; L303-S307 PolarHBondContact O-N 3.09Å; L303-S307 PolarHBondContact O-OG 3.1Å; E304-S307 WeakPolarHBondContact CA-OG 3.34Å; E304-S307 PolarHBondContact O-OG 3.27Å; S307-Y309 PolarHBondContact O-N 3.02Å; S307-G310 PolarHBondContact O-N 2.98Å
308	K	86.9	Confident	86.1	Confident	138 Å²	138	55.4 Å²	55.4	60%	0.6	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.5	172.6	-86.2	175	-176.8	160	0	114.2	E304	E304-K308 WeakPolarHBondContact O-CG 3.47Å; E304-K308 PolarHBondContact O-N 3.05Å; E304-K308 VanDerWaalsContact O-N 3.13Å; E304-K308 VanDerWaalsContact OE1-CE 3.28Å; E304-K308 WeakPolarHBondContact OE1-CE 3.24Å; E304-K308 IonicContact OE1-NZ 2.77Å; E304-K308 PolarHBondContact OE1-NZ 3.06Å
309	Y	83.8	Confident	87	Confident	93 Å²	93	57.8 Å²	57.8	37%	0.365	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	19.4	179	-53.4	-67	0	0	0	112.8	K305 V306 S307 F311 M312 N331 I338	K305-Y309 WeakPolarHBondContact O-CD2 3.28Å; K305-Y309 VanDerWaalsContact O-CE2 3.29Å; K305-Y309 WeakPolarHBondContact O-CE2 3.27Å; V306-Y309 PolarHBondContact O-N 3.23Å; S307-Y309 PolarHBondContact O-N 3.02Å; Y309-F311 PolarHBondContact O-N 3.19Å; Y309-M312 WeakPolarHBondContact CB-O 3.46Å; Y309-M312 WeakPolarHBondContact O-CB 3.33Å; Y309-M312 PolarHBondContact O-N 3.39Å; Y309-M312 VanDerWaalsContact O-N 3.13Å; Y309-N331 VanDerWaalsContact CE1-ND2 3.34Å; Y309-N331 WeakPolarHBondContact CE1-ND2 3.49Å; Y309-N331 PolarHBondContact OH-ND2 2.76Å; Y309-N331 VanDerWaalsContact OH-ND2 3.07Å; Y309-I338 HydrophobicContact CD2-CD1 4.5Å
310	G	83.8	Confident	87.4	Confident	52 Å²	52	60.5 Å²	60.5	54%	0.536	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	36.1	-179.2	0	0	0	0	0	112.4	S307 M312	S307-G310 PolarHBondContact O-N 2.98Å; G310-M312 PolarHBondContact O-N 3.24Å; G310-M312 VanDerWaalsContact O-N 3.12Å
311	F	89.5	Confident	87.1	Confident	71 Å²	71	55.9 Å²	55.9	31%	0.311	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	13.3	-177.8	-65.6	-85	0	0	0	114.9	R178 I179 W182 L303 V306 Y309	R178-F311 CarbonylContact C-O 3.49Å; R178-F311 WeakPolarHBondContact CA-O 3.47Å; I179-F311 HydrophobicContact CB-CB 4.06Å; I179-F311 HydrophobicContact CB-CD1 4Å; I179-F311 HydrophobicContact CD1-CD1 4.44Å; I179-F311 HydrophobicContact CG2-CD1 4.01Å; I179-F311 PolarHBondContact N-O 3.4Å; W182-F311 HydrophobicContact CB-CE1 4.14Å; L303-F311 HydrophobicContact CD1-CE1 3.91Å; L303-F311 HydrophobicContact CD1-CZ 4.03Å; V306-F311 HydrophobicContact CG2-CD1 4.36Å; V306-F311 HydrophobicContact CG2-CE1 4.25Å; V306-F311 PolarHBondContact O-N 2.89Å; V306-F311 VanDerWaalsContact O-N 3.13Å; Y309-F311 PolarHBondContact O-N 3.19Å
312	M	94.1	Very high	86.4	Confident	71 Å²	71	57 Å²	57	35%	0.35	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.5	170.4	-66.5	-58.6	-64.3	0	0	110.4	I176 R178 Y309 G310 P332	I176-M312 HydrophobicContact CG2-CE 3.49Å; I176-M312 VanDerWaalsContact CG2-CE 3.49Å; R178-M312 HydrophobicContact CB-SD 3.63Å; R178-M312 HydrophobicContact CG-SD 3.88Å; Y309-M312 WeakPolarHBondContact CB-O 3.46Å; Y309-M312 WeakPolarHBondContact O-CB 3.33Å; Y309-M312 PolarHBondContact O-N 3.39Å; Y309-M312 VanDerWaalsContact O-N 3.13Å; G310-M312 PolarHBondContact O-N 3.24Å; G310-M312 VanDerWaalsContact O-N 3.12Å; M312-P332 HydrophobicContact CB-CG 4.43Å; M312-P332 WeakPolarHBondContact O-CG 3.47Å
313	V	94.4	Very high	86.2	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.6	-176	-71.6	0	0	0	0	110.8	A177 I179 V306 V315 L329 I338	A177-V313 PolarHBondContact N-O 2.94Å; A177-V313 PolarHBondContact O-N 2.95Å; A177-V313 VanDerWaalsContact O-O 3.11Å; I179-V313 HydrophobicContact CD1-CG1 4.09Å; I179-V313 HydrophobicContact CD1-CG2 4.24Å; I179-V313 HydrophobicContact CG1-CG2 4Å; V306-V313 HydrophobicContact CG1-CG1 4.04Å; V313-V315 HydrophobicContact CB-CG2 4.35Å; V313-V315 HydrophobicContact CG2-CG2 3.61Å; V313-L329 HydrophobicContact CB-CD2 4.45Å; V313-L329 HydrophobicContact CG2-CD2 4.16Å; V313-I338 HydrophobicContact CG1-CD1 3.81Å
314	A	95.6	Very high	86.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.8	159.4	0	0	0	0	0	108.2	L174 F175 I176 F330 K335	L174-A314 HydrophobicContact CD1-CB 4.48Å; F175-A314 CarbonylContact O-C 3.52Å; F175-A314 WeakPolarHBondContact O-CA 3.33Å; I176-A314 HydrophobicContact CD1-CB 3.95Å; A314-F330 HydrophobicContact CB-CB 3.96Å; A314-F330 PolarHBondContact N-O 3.15Å; A314-F330 PolarHBondContact O-N 3.29Å; A314-K335 HydrophobicContact CB-CD 4.26Å
315	V	95.6	Very high	86.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.7	-170.6	-176.6	0	0	0	0	109.8	L174 F175 A177 I190 V313 V327 K328 L329	L174-V315 WeakPolarHBondContact CA-O 3.1Å; F175-V315 HydrophobicContact CD1-CB 4.29Å; F175-V315 WeakPolarHBondContact CD1-O 3.47Å; F175-V315 HydrophobicContact CD2-CB 4.45Å; F175-V315 HydrophobicContact CE1-CB 3.82Å; F175-V315 HydrophobicContact CE1-CG1 3.82Å; F175-V315 WeakPolarHBondContact CE1-O 3.46Å; F175-V315 HydrophobicContact CE2-CB 4.01Å; F175-V315 HydrophobicContact CE2-CG1 4.36Å; F175-V315 HydrophobicContact CZ-CB 3.66Å; F175-V315 HydrophobicContact CZ-CG1 3.6Å; F175-V315 PolarHBondContact N-O 3.37Å; F175-V315 PolarHBondContact O-N 3.35Å; A177-V315 HydrophobicContact CB-CG2 3.74Å; I190-V315 HydrophobicContact CD1-CG1 4.07Å; I190-V315 HydrophobicContact CD1-CG2 4.42Å; V313-V315 HydrophobicContact CB-CG2 4.35Å; V313-V315 HydrophobicContact CG2-CG2 3.61Å; V315-V327 HydrophobicContact CG1-CB 3.76Å; V315-V327 HydrophobicContact CG1-CG1 3.79Å; V315-V327 HydrophobicContact CG1-CG2 4.32Å; V315-K328 WeakPolarHBondContact CA-O 3.39Å; V315-L329 HydrophobicContact CG2-CD2 4.03Å
316	Q	94.5	Very high	86.8	Confident	57 Å²	57	54.2 Å²	54.2	27%	0.266	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.7	164.3	-170	176.8	55.3	0	0	108.7	L174 V327 K328 F330	L174-Q316 HydrophobicContact CD2-CB 3.79Å; Q316-V327 CarbonylContact O-C 3.58Å; Q316-V327 WeakPolarHBondContact O-CA 3.08Å; Q316-K328 HydrophobicContact CB-CB 4.31Å; Q316-K328 PolarHBondContact N-O 3.46Å; Q316-K328 PolarHBondContact O-N 2.94Å; Q316-F330 HydrophobicContact CB-CE2 3.79Å
317	I	92.5	Very high	87.1	Confident	35 Å²	35	54.2 Å²	54.2	18%	0.179	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	121.4	172.5	-65.2	163.3	0	0	0	108.3	L164 I167 F175 K320 C325 V327	L164-I317 HydrophobicContact CD1-CD1 4.32Å; L164-I317 HydrophobicContact CD2-CD1 3.42Å; L164-I317 VanDerWaalsContact CD2-CD1 3.42Å; L164-I317 HydrophobicContact CG-CD1 4.44Å; I167-I317 HydrophobicContact CD1-CD1 4.38Å; F175-I317 HydrophobicContact CE1-CD1 3.85Å; F175-I317 HydrophobicContact CE1-CG1 3.95Å; F175-I317 HydrophobicContact CZ-CD1 3.99Å; F175-I317 HydrophobicContact CZ-CG1 4.22Å; I317-K320 HydrophobicContact CG2-CG 3.9Å; I317-C325 HydrophobicContact CG1-CB 4.37Å; I317-C325 HydrophobicContact CG2-CB 4.25Å; I317-V327 HydrophobicContact CG1-CG1 3.96Å
318	T	90.5	Very high	87.4	Confident	45 Å²	45	54.1 Å²	54.1	28%	0.276	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-34.6	-178.6	61.5	0	0	0	0	112.8	E290 T326 K328	E290-T318 WeakPolarHBondContact OE1-CB 3.5Å; E290-T318 VanDerWaalsContact OE1-CG2 3.31Å; E290-T318 WeakPolarHBondContact OE1-CG2 3.47Å; E290-T318 PolarHBondContact OE1-OG1 2.61Å; T318-T326 PolarHBondContact N-O 3.47Å; T318-T326 PolarHBondContact OG1-O 3.25Å; T318-K328 HydrophobicContact CG2-CD 3.9Å; T318-K328 HydrophobicContact CG2-CG 3.79Å
319	M	86.8	Confident	87.6	Confident	107 Å²	107	47.5 Å²	47.5	53%	0.527	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.7	172.4	-61.9	-178	-74.7	0	0	110.6	T326	M319-T326 HydrophobicContact CE-CG2 3.82Å; M319-T326 PolarHBondContact N-O 2.91Å; M319-T326 PolarHBondContact O-N 3.14Å
320	K	84.8	Confident	88	Confident	127 Å²	127	44.4 Å²	44.4	55%	0.552	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.4	175.7	-57.3	171.7	-171.9	-179.7	0	107.2	L161 L164 I317	L161-K320 HydrophobicContact CD1-CB 4.47Å; L161-K320 HydrophobicContact CD2-CB 4.18Å; L161-K320 HydrophobicContact CD2-CD 4.48Å; L164-K320 HydrophobicContact CD1-CD 3.58Å; L164-K320 HydrophobicContact CD1-CG 3.91Å; I317-K320 HydrophobicContact CG2-CG 3.9Å
321	D	72.1	Confident	88.3	Confident	35 Å²	35	42.3 Å²	42.3	19%	0.187	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	152.3	173.7	-175.4	5.8	0	0	0	107	D323 R324	D321-D323 PolarHBondContact O-N 3.41Å; D321-R324 CarbonylContact C-O 3.47Å; D321-R324 WeakPolarHBondContact CA-O 3.42Å; D321-R324 WeakPolarHBondContact CB-O 3.02Å; D321-R324 PolarHBondContact N-O 3.04Å; D321-R324 CarbonylContact O-C 3.53Å; D321-R324 PolarHBondContact O-N 3.34Å; D321-R324 IonicContact OD2-NH2 3.98Å; D321-R324 PolarHBondContact OD2-NH2 3.34Å
322	Y	65.6	Low	88.4	Confident	96 Å²	96	40.2 Å²	40.2	38%	0.376	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-27.2	-51.6	-165.2	-112.2	-109.9	0	0	0	116.5
323	D	75.3	Confident	88.2	Confident	86 Å²	86	45.8 Å²	45.8	46%	0.46	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	9.5	179.8	64.1	-10.7	0	0	0	113.5	D321	D321-D323 PolarHBondContact O-N 3.41Å
324	R	83.5	Confident	88	Confident	70 Å²	70	49.4 Å²	49.4	26%	0.264	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.6	-173.2	-172.7	177	56	-169.7	-11.3	112.6	M286 D321	M286-R324 HydrophobicContact CE-CB 3.93Å; M286-R324 HydrophobicContact CE-CG 4.35Å; M286-R324 HydrophobicContact CG-CG 4.27Å; M286-R324 CarbonylContact O-C 3.51Å; M286-R324 VanDerWaalsContact O-CA 3.29Å; M286-R324 WeakPolarHBondContact O-CA 3.24Å; D321-R324 CarbonylContact C-O 3.47Å; D321-R324 WeakPolarHBondContact CA-O 3.42Å; D321-R324 WeakPolarHBondContact CB-O 3.02Å; D321-R324 PolarHBondContact N-O 3.04Å; D321-R324 CarbonylContact O-C 3.53Å; D321-R324 PolarHBondContact O-N 3.34Å; D321-R324 IonicContact OD2-NH2 3.98Å; D321-R324 PolarHBondContact OD2-NH2 3.34Å
325	C	90.4	Very high	87.7	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.7	172.2	-64.8	0	0	0	0	111.3	M286 C287 K288 I317 V327	M286-C325 PolarHBondContact O-N 2.85Å; C287-C325 CarbonylContact C-O 3.49Å; C287-C325 WeakPolarHBondContact CA-O 3.31Å; K288-C325 PolarHBondContact N-O 3.29Å; I317-C325 HydrophobicContact CG1-CB 4.37Å; I317-C325 HydrophobicContact CG2-CB 4.25Å; C325-V327 HydrophobicContact CB-CG1 3.9Å
326	T	90	Very high	87.4	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.2	161.1	-51.6	0	0	0	0	107.9	K288 E290 T318 M319	K288-T326 WeakPolarHBondContact CE-OG1 3.4Å; K288-T326 HydrophobicContact CG-CG2 4.19Å; K288-T326 CarbonylContact O-C 3.52Å; K288-T326 WeakPolarHBondContact O-CA 3.48Å; E290-T326 HydrophobicContact CB-CG2 3.79Å; E290-T326 HydrophobicContact CG-CG2 4.16Å; T318-T326 PolarHBondContact N-O 3.47Å; T318-T326 PolarHBondContact OG1-O 3.25Å; M319-T326 HydrophobicContact CE-CG2 3.82Å; M319-T326 PolarHBondContact N-O 2.91Å; M319-T326 PolarHBondContact O-N 3.14Å
327	V	92.8	Very high	87	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148	-171.9	-55.7	0	0	0	0	112.9	F188 C287 K288 V289 E290 V315 Q316 I317 C325 L329	F188-V327 HydrophobicContact CE1-CG2 4.41Å; F188-V327 HydrophobicContact CE2-CG2 4.3Å; F188-V327 HydrophobicContact CZ-CG2 3.53Å; C287-V327 HydrophobicContact CB-CG1 4.4Å; C287-V327 HydrophobicContact CB-CG2 4.14Å; K288-V327 PolarHBondContact O-N 3.34Å; V289-V327 CarbonylContact C-O 3.51Å; V289-V327 WeakPolarHBondContact CA-O 3.47Å; E290-V327 PolarHBondContact N-O 2.89Å; V315-V327 HydrophobicContact CG1-CB 3.76Å; V315-V327 HydrophobicContact CG1-CG1 3.79Å; V315-V327 HydrophobicContact CG1-CG2 4.32Å; Q316-V327 CarbonylContact O-C 3.58Å; Q316-V327 WeakPolarHBondContact O-CA 3.08Å; I317-V327 HydrophobicContact CG1-CG1 3.96Å; C325-V327 HydrophobicContact CB-CG1 3.9Å; V327-L329 HydrophobicContact CG2-CD2 3.77Å; V327-L329 HydrophobicContact CG2-CG 4.33Å
328	K	92	Very high	86.5	Confident	47 Å²	47	58.6 Å²	58.6	20%	0.204	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.9	161.4	-65	175.2	-177.6	157.8	0	108.7	E290 V315 Q316 T318 F330	E290-K328 HydrophobicContact CB-CG 4.1Å; E290-K328 WeakPolarHBondContact OE2-CE 2.99Å; E290-K328 IonicContact OE2-NZ 2.89Å; V315-K328 WeakPolarHBondContact CA-O 3.39Å; Q316-K328 HydrophobicContact CB-CB 4.31Å; Q316-K328 PolarHBondContact N-O 3.46Å; Q316-K328 PolarHBondContact O-N 2.94Å; T318-K328 HydrophobicContact CG2-CD 3.9Å; T318-K328 HydrophobicContact CG2-CG 3.79Å; K328-F330 HydrophobicContact CB-CD2 4.27Å; K328-F330 HydrophobicContact CB-CE2 3.38Å; K328-F330 HydrophobicContact CB-CZ 3.74Å; K328-F330 HydrophobicContact CD-CE2 4.45Å; K328-F330 HydrophobicContact CD-CZ 4.06Å
329	L	91.6	Very high	85.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.3	177.4	-57.8	-177.2	0	0	0	109.9	W182 F188 V289 V306 V313 V315 V327 I338	W182-L329 HydrophobicContact CZ3-CD1 4.49Å; F188-L329 HydrophobicContact CE2-CD1 4.35Å; F188-L329 HydrophobicContact CE2-CD2 4.29Å; F188-L329 HydrophobicContact CZ-CD1 4.03Å; F188-L329 HydrophobicContact CZ-CD2 4.16Å; F188-L329 HydrophobicContact CZ-CG 4.42Å; V289-L329 HydrophobicContact CG2-CD1 3.82Å; V289-L329 HydrophobicContact CG2-CG 4.32Å; V306-L329 HydrophobicContact CG1-CD1 4.11Å; V313-L329 HydrophobicContact CB-CD2 4.45Å; V313-L329 HydrophobicContact CG2-CD2 4.16Å; V315-L329 HydrophobicContact CG2-CD2 4.03Å; V327-L329 HydrophobicContact CG2-CD2 3.77Å; V327-L329 HydrophobicContact CG2-CG 4.33Å; L329-I338 HydrophobicContact CB-CB 4.28Å; L329-I338 HydrophobicContact CB-CD1 4.32Å; L329-I338 PolarHBondContact O-N 2.84Å
330	F	92.5	Very high	83.6	Confident	27 Å²	27	53.9 Å²	53.9	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154	-178.6	-56.5	-98.3	0	0	0	110.4	L174 A314 Q316 K328 K335 E336 R337	L174-F330 HydrophobicContact CD2-CD2 3.4Å; L174-F330 VanDerWaalsContact CD2-CD2 3.4Å; L174-F330 HydrophobicContact CD2-CE2 3.5Å; L174-F330 HydrophobicContact CD2-CG 4.15Å; L174-F330 HydrophobicContact CD2-CZ 4.31Å; A314-F330 HydrophobicContact CB-CB 3.96Å; A314-F330 PolarHBondContact N-O 3.15Å; A314-F330 PolarHBondContact O-N 3.29Å; Q316-F330 HydrophobicContact CB-CE2 3.79Å; K328-F330 HydrophobicContact CB-CD2 4.27Å; K328-F330 HydrophobicContact CB-CE2 3.38Å; K328-F330 HydrophobicContact CB-CZ 3.74Å; K328-F330 HydrophobicContact CD-CE2 4.45Å; K328-F330 HydrophobicContact CD-CZ 4.06Å; F330-K335 VanDerWaalsContact CD1-O 3.27Å; F330-K335 WeakPolarHBondContact CD1-O 3.48Å; F330-E336 CarbonylContact C-O 3.48Å; F330-E336 VanDerWaalsContact CA-O 3.23Å; F330-E336 WeakPolarHBondContact CA-O 3.38Å; F330-R337 HydrophobicContact CD1-CB 3.86Å; F330-R337 HydrophobicContact CD1-CG 4.3Å; F330-R337 HydrophobicContact CE1-CB 3.87Å; F330-R337 HydrophobicContact CE1-CG 4.1Å
331	N	91.2	Very high	81.4	Confident	9 Å²	9	52.7 Å²	52.7	5%	0.048	26%	0.255	C	S	.	.			trans	-58.1	126.7	169.2	-179	-45	0	0	0	108.7	Y309 K333 T334 K335 E336	Y309-N331 VanDerWaalsContact CE1-ND2 3.34Å; Y309-N331 WeakPolarHBondContact CE1-ND2 3.49Å; Y309-N331 PolarHBondContact OH-ND2 2.76Å; Y309-N331 VanDerWaalsContact OH-ND2 3.07Å; N331-K333 PolarHBondContact O-N 2.97Å; N331-K333 WeakPolarHBondContact OD1-CA 2.86Å; N331-K333 PolarHBondContact OD1-N 3.05Å; N331-T334 WeakPolarHBondContact CB-OG1 3.3Å; N331-T334 PolarHBondContact ND2-OG1 3Å; N331-T334 PolarHBondContact OD1-N 2.83Å; N331-K335 VanDerWaalsContact O-CA 3.22Å; N331-K335 WeakPolarHBondContact O-CA 3.43Å; N331-K335 PolarHBondContact O-N 3.36Å; N331-E336 PolarHBondContact N-O 2.8Å
332	P	90.9	Very high	79.7	Confident	27 Å²	27	59.9 Å²	59.9	18%	0.175	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.3	-175.8	26.7	-35.1	0	0	0	113.4	I176 M312	I176-P332 HydrophobicContact CD1-CB 3.98Å; M312-P332 HydrophobicContact CB-CG 4.43Å; M312-P332 WeakPolarHBondContact O-CG 3.47Å
333	K	89.3	Confident	78	Confident	188 Å²	188	70.3 Å²	70.3	82%	0.817	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-52.3	-179.4	-60.1	-176.4	-179	179.1	0	112.6	N331	N331-K333 PolarHBondContact O-N 2.97Å; N331-K333 WeakPolarHBondContact OD1-CA 2.86Å; N331-K333 PolarHBondContact OD1-N 3.05Å
334	T	91	Very high	78.2	Confident	76 Å²	76	69.5 Å²	69.5	47%	0.466	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.3	-174.5	68.6	0	0	0	0	113.1	N331 E336	N331-T334 WeakPolarHBondContact CB-OG1 3.3Å; N331-T334 PolarHBondContact ND2-OG1 3Å; N331-T334 PolarHBondContact OD1-N 2.83Å; T334-E336 PolarHBondContact O-N 2.87Å; T334-E336 VanDerWaalsContact O-N 3.12Å; T334-E336 WeakPolarHBondContact OG1-CB 3.45Å; T334-E336 WeakPolarHBondContact OG1-CG 3.4Å; T334-E336 PolarHBondContact OG1-N 3.26Å; T334-E336 PolarHBondContact OG1-OE2 3.46Å
335	K	89.4	Confident	77.9	Confident	61 Å²	61	69.5 Å²	69.5	27%	0.265	32%	0.322	S	S	.	.			trans	59.2	13.8	-173.2	-49.5	-62.8	-167.4	166.3	0	114.1	E170 L174 A314 F330 N331	E170-K335 IonicContact OE1-NZ 2.81Å; E170-K335 PolarHBondContact OE1-NZ 3.4Å; E170-K335 WeakPolarHBondContact OE2-CE 3.3Å; E170-K335 IonicContact OE2-NZ 2.75Å; E170-K335 PolarHBondContact OE2-NZ 3.46Å; L174-K335 HydrophobicContact CD1-CD 3.87Å; A314-K335 HydrophobicContact CB-CD 4.26Å; F330-K335 VanDerWaalsContact CD1-O 3.27Å; F330-K335 WeakPolarHBondContact CD1-O 3.48Å; N331-K335 VanDerWaalsContact O-CA 3.22Å; N331-K335 WeakPolarHBondContact O-CA 3.43Å; N331-K335 PolarHBondContact O-N 3.36Å
336	E	88.8	Confident	77.2	Confident	130 Å²	130	73.2 Å²	73.2	61%	0.607	34%	0.34	S	S	*	.			trans	-71.7	141.2	172.5	-68.5	169.5	146.1	0	0	110.8	F330 N331 T334 I338	F330-E336 CarbonylContact C-O 3.48Å; F330-E336 VanDerWaalsContact CA-O 3.23Å; F330-E336 WeakPolarHBondContact CA-O 3.38Å; N331-E336 PolarHBondContact N-O 2.8Å; T334-E336 PolarHBondContact O-N 2.87Å; T334-E336 VanDerWaalsContact O-N 3.12Å; T334-E336 WeakPolarHBondContact OG1-CB 3.45Å; T334-E336 WeakPolarHBondContact OG1-CG 3.4Å; T334-E336 PolarHBondContact OG1-N 3.26Å; T334-E336 PolarHBondContact OG1-OE2 3.46Å; E336-I338 PolarHBondContact O-N 3.29Å
337	R	87	Confident	76.4	Confident	82 Å²	82	77.3 Å²	77.3	31%	0.309	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-70.5	121.5	-177.7	-169	170.6	176.4	174.7	2.6	110.2	E290 F330 S339 A340	E290-R337 PolarHBondContact O-NH2 3.24Å; E290-R337 IonicContact OE2-CZ 3.7Å; E290-R337 IonicContact OE2-NH1 3.82Å; E290-R337 IonicContact OE2-NH2 2.69Å; E290-R337 PolarHBondContact OE2-NH2 3.43Å; F330-R337 HydrophobicContact CD1-CB 3.86Å; F330-R337 HydrophobicContact CD1-CG 4.3Å; F330-R337 HydrophobicContact CE1-CB 3.87Å; F330-R337 HydrophobicContact CE1-CG 4.1Å; R337-S339 VanDerWaalsContact C-N 3.27Å; R337-S339 PolarHBondContact NE-OG 2.79Å; R337-S339 PolarHBondContact O-N 2.99Å; R337-A340 HydrophobicContact CB-CB 4.03Å; R337-A340 HydrophobicContact CG-CB 4.09Å
338	I	81.9	Confident	75.4	Confident	11 Å²	11	82.1 Å²	82.1	6%	0.056	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-36.4	175.7	-69	169.1	0	0	0	110.5	K305 V306 Y309 V313 L329 E336 A340	K305-I338 HydrophobicContact CB-CG2 3.57Å; K305-I338 HydrophobicContact CD-CG2 4.01Å; K305-I338 WeakPolarHBondContact CD-O 3.35Å; K305-I338 HydrophobicContact CG-CG2 4.42Å; V306-I338 HydrophobicContact CG1-CD1 4.29Å; V306-I338 HydrophobicContact CG1-CG2 4.32Å; Y309-I338 HydrophobicContact CD2-CD1 4.5Å; V313-I338 HydrophobicContact CG1-CD1 3.81Å; L329-I338 HydrophobicContact CB-CB 4.28Å; L329-I338 HydrophobicContact CB-CD1 4.32Å; L329-I338 PolarHBondContact O-N 2.84Å; E336-I338 PolarHBondContact O-N 3.29Å; I338-A340 VanDerWaalsContact C-N 3.27Å; I338-A340 PolarHBondContact O-N 2.87Å
339	S	63.7	Low	74.3	Confident	9 Å²	9	84.5 Å²	84.5	6%	0.063	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	16.4	-170.5	97.2	0	0	0	0	113.1	Y295 R337	Y295-S339 WeakPolarHBondContact CE2-O 3.36Å; R337-S339 VanDerWaalsContact C-N 3.27Å; R337-S339 PolarHBondContact NE-OG 2.79Å; R337-S339 PolarHBondContact O-N 2.99Å
340	A	51.5	Low	73.1	Confident	44 Å²	44	90.5 Å²	90.5	36%	0.364	42%	0.42	S	S	.	.	S	Bend	trans	-108.9	134.8	176.9	0	0	0	0	0	109.5	R337 I338 Q342	R337-A340 HydrophobicContact CB-CB 4.03Å; R337-A340 HydrophobicContact CG-CB 4.09Å; I338-A340 VanDerWaalsContact C-N 3.27Å; I338-A340 PolarHBondContact O-N 2.87Å; A340-Q342 PolarHBondContact O-N 2.66Å
341	L	39.9	Very low	71.6	Confident	103 Å²	103	95.4 Å²	95.4	54%	0.539	44%	0.443	S	S	.	.			trans	-53.7	126	164.7	-85	153.4	0	0	0	108.4	L294 R343	L294-L341 WeakPolarHBondContact O-CD1 3.49Å; L341-R343 PolarHBondContact O-N 2.86Å
342	Q	36.1	Very low	69.9	Low	185 Å²	185	102.6 Å²	102.6	86%	0.864	48%	0.476	S	S	*	.			trans	-65	119.4	155.3	-78.6	-178.1	-30.9	0	0	105.8	A340	A340-Q342 PolarHBondContact O-N 2.66Å
343	R	29.8	Very low	68	Low	315 Å²	315	109.5 Å²	109.5	100%	1.189	50%	0.504	S	S	*	.			trans	-72.1	0	172.3	-86.7	-173	177.5	179.3	-0.6	110.9	L341	L341-R343 PolarHBondContact O-N 2.86Å

Retrieved 343 of 343 residues in 399.5 ms (Link to these results)

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