A0A087X5I1_POEFO Loading...

Ribosomal RNA processing 7 homolog A

AlphaFold DB , UniProt , Accession A0A087X5I1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 282 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	41.6	Very low	248 Å²	248	150.2 Å²	150.2	100%	1.222	79%	0.793	S	S	*	*				0	134.6	0	-69.8	174.6	172.1	0	0	108.4
2	A	38.3	Very low	43.7	Very low	95 Å²	95	148.8 Å²	148.8	79%	0.785	78%	0.779	S	S	*	*			trans	-97.2	133.5	173.6	0	0	0	0	0	109.7	S4	A2-S4 PolarHBondContact O-N 3.16Å
3	P	39.7	Very low	46.1	Very low	123 Å²	123	139.6 Å²	139.6	80%	0.799	74%	0.738	S	S	*	*			trans	-70	131.7	-178.4	27.9	-33.9	0	0	0	111.1	K5	P3-K5 PolarHBondContact O-N 3.35Å
4	S	36.9	Very low	48.4	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	71%	0.712	S	S	*	*			trans	-69.3	114.9	178	50.2	0	0	0	0	110.5	A2 K6	A2-S4 PolarHBondContact O-N 3.16Å; S4-K6 VanDerWaalsContact C-N 3.34Å; S4-K6 PolarHBondContact O-N 3.43Å
5	K	37.5	Very low	50.6	Low	201 Å²	201	130.9 Å²	130.9	87%	0.874	70%	0.702	S	S	*	*			trans	-66.2	92.2	172.8	-71.1	-176.7	178	-179.9	0	109.3	P3 K7	P3-K5 PolarHBondContact O-N 3.35Å; K5-K7 PolarHBondContact O-N 3.33Å
6	K	43.4	Very low	52.6	Low	181 Å²	181	126.4 Å²	126.4	79%	0.787	68%	0.677	S	S	*	*			trans	-54.7	107.5	164.9	-75.9	-178.4	176.4	179.2	0	107.7	S4 H8	S4-K6 VanDerWaalsContact C-N 3.34Å; S4-K6 PolarHBondContact O-N 3.43Å; K6-H8 PolarHBondContact O-CD2 3.48Å; K6-H8 PolarHBondContact O-N 3.39Å
7	K	39.3	Very low	53.3	Low	202 Å²	202	127.2 Å²	127.2	88%	0.878	69%	0.691	S	S	*	*			trans	-66.5	106.4	172.7	-69.4	-177.9	179.5	179.4	0	107.1	K5 A9	K5-K7 PolarHBondContact O-N 3.33Å; K7-A9 PolarHBondContact O-N 2.9Å
8	H	37.3	Very low	54.4	Low	172 Å²	172	127.3 Å²	127.3	80%	0.796	69%	0.685	S	S	*	*			trans	-65.2	105.1	166.8	-73.9	-100.2	0	0	0	107.4	K6 T10	K6-H8 PolarHBondContact O-CD2 3.48Å; K6-H8 PolarHBondContact O-N 3.39Å; H8-T10 PolarHBondContact O-N 2.98Å; H8-T10 VanDerWaalsContact O-N 3.13Å
9	A	43.8	Very low	55.8	Low	62 Å²	62	122.6 Å²	122.6	51%	0.512	67%	0.67	S	S	.	*			trans	-62.2	113.7	168	0	0	0	0	0	107.5	K7 K11	K7-A9 PolarHBondContact O-N 2.9Å; A9-K11 PolarHBondContact O-N 3.43Å
10	T	43.8	Very low	57.3	Low	101 Å²	101	118 Å²	118	62%	0.62	64%	0.643	S	S	*	*			trans	-67.8	108.9	-175.9	-12.2	0	0	0	0	108.6	H8 Q12	H8-T10 PolarHBondContact O-N 2.98Å; H8-T10 VanDerWaalsContact O-N 3.13Å; T10-Q12 HydrophobicContact CG2-CG 3.97Å; T10-Q12 PolarHBondContact O-N 3.47Å
11	K	58.8	Low	58.8	Low	158 Å²	158	112.5 Å²	112.5	69%	0.687	61%	0.614	S	S	*	*			trans	-70.5	67.7	174.1	-70.4	-161.5	172.9	-132	0	110.7	A9 P133 E136	A9-K11 PolarHBondContact O-N 3.43Å; K11-P133 HydrophobicContact CB-CB 4.46Å; K11-E136 IonicContact NZ-OE1 3.76Å; K11-E136 PolarHBondContact NZ-OE1 3.44Å
12	Q	66.6	Low	61.3	Low	134 Å²	134	101.1 Å²	101.1	63%	0.626	56%	0.558	S	S	*	*			trans	-127.8	143.8	-177.1	-70.7	178.5	-17.7	0	0	109.3	T10 H134	T10-Q12 HydrophobicContact CG2-CG 3.97Å; T10-Q12 PolarHBondContact O-N 3.47Å; Q12-H134 PolarHBondContact O-N 3.38Å
13	A	74.6	Confident	63.7	Low	29 Å²	29	96.6 Å²	96.6	24%	0.24	52%	0.521	C	S	.	.			trans	-68.8	131.6	171.3	0	0	0	0	0	109.7	V15 K130	A13-V15 PolarHBondContact O-N 3.26Å; A13-K130 WeakPolarHBondContact CB-O 3.48Å
14	C	78.4	Confident	66.2	Low	56 Å²	56	90.9 Å²	90.9	38%	0.378	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	118.9	172.1	-178	0	0	0	0	108.6	A21 V22 H134	C14-A21 CarbonylContact O-C 3.53Å; C14-A21 WeakPolarHBondContact O-CA 3.27Å; C14-V22 HydrophobicContact CB-CB 4.18Å; C14-V22 HydrophobicContact CB-CG2 4.35Å; C14-V22 PolarHBondContact O-N 2.84Å; C14-H134 HydrophobicContact CB-CB 3.94Å
15	V	81	Confident	68.7	Low	92 Å²	92	85.7 Å²	85.7	56%	0.558	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.7	179.7	-176.4	0	0	0	0	109.7	A13 F20	A13-V15 PolarHBondContact O-N 3.26Å; V15-F20 WeakPolarHBondContact CA-O 3.25Å
16	I	82.9	Confident	71.2	Confident	60 Å²	60	77.2 Å²	77.2	31%	0.308	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	147.3	175.9	-70.3	175.4	0	0	0	109.1	E18 G19 F20 V22 Y38	I16-E18 PolarHBondContact O-N 3.32Å; I16-G19 PolarHBondContact O-N 2.67Å; I16-F20 PolarHBondContact N-O 2.9Å; I16-V22 HydrophobicContact CD1-CG2 3.55Å; I16-V22 HydrophobicContact CG1-CG2 3.75Å; I16-Y38 HydrophobicContact CD1-CD1 3.71Å; I16-Y38 HydrophobicContact CD1-CE1 3.59Å
17	P	64.6	Low	73.3	Confident	140 Å²	140	71.3 Å²	71.3	91%	0.909	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-21.5	-177.1	11.7	-29.6	0	0	0	117	G19	P17-G19 PolarHBondContact O-N 2.91Å
18	E	73.1	Confident	75.5	Confident	128 Å²	128	63.2 Å²	63.2	60%	0.598	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	11.9	170.7	-90.2	-64.9	143.8	0	0	114.4	I16 F20 K40	I16-E18 PolarHBondContact O-N 3.32Å; E18-F20 VanDerWaalsContact C-N 3.29Å; E18-F20 HydrophobicContact CB-CD2 3.64Å; E18-F20 HydrophobicContact CB-CE2 3.92Å; E18-F20 PolarHBondContact O-N 3.36Å; E18-K40 VanDerWaalsContact O-CE 3.31Å; E18-K40 WeakPolarHBondContact O-CE 3.3Å; E18-K40 PolarHBondContact O-NZ 3.33Å; E18-K40 IonicContact OE2-NZ 3.15Å; E18-K40 PolarHBondContact OE2-NZ 3.35Å
19	G	81	Confident	77.7	Confident	38 Å²	38	59 Å²	59	39%	0.392	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	24.9	-179.3	0	0	0	0	0	114.4	I16 P17	I16-G19 PolarHBondContact O-N 2.67Å; P17-G19 PolarHBondContact O-N 2.91Å
20	F	85.8	Confident	79.5	Confident	31 Å²	31	62.9 Å²	62.9	14%	0.136	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.3	170.2	-72.2	-94.9	0	0	0	110	V15 I16 E18 V39 K40 F59 L61	V15-F20 WeakPolarHBondContact CA-O 3.25Å; I16-F20 PolarHBondContact N-O 2.9Å; E18-F20 VanDerWaalsContact C-N 3.29Å; E18-F20 HydrophobicContact CB-CD2 3.64Å; E18-F20 HydrophobicContact CB-CE2 3.92Å; E18-F20 PolarHBondContact O-N 3.36Å; F20-V39 CarbonylContact C-O 3.07Å; F20-V39 WeakPolarHBondContact CA-O 3.46Å; F20-K40 HydrophobicContact CD1-CB 3.63Å; F20-K40 HydrophobicContact CD1-CD 4.01Å; F20-K40 HydrophobicContact CD1-CG 4.43Å; F20-K40 HydrophobicContact CD2-CD 3.86Å; F20-K40 HydrophobicContact CE1-CB 3.69Å; F20-K40 HydrophobicContact CE1-CD 3.78Å; F20-K40 HydrophobicContact CE1-CG 4.4Å; F20-K40 HydrophobicContact CE2-CD 3.62Å; F20-K40 HydrophobicContact CG-CB 4.26Å; F20-K40 HydrophobicContact CG-CD 4.05Å; F20-K40 HydrophobicContact CZ-CB 4.38Å; F20-K40 HydrophobicContact CZ-CD 3.58Å; F20-F59 HydrophobicContact CE1-CD1 4.08Å; F20-F59 HydrophobicContact CE1-CE1 4.09Å; F20-F59 HydrophobicContact CZ-CE1 4.41Å; F20-L61 HydrophobicContact CD1-CD1 4.32Å; F20-L61 HydrophobicContact CE1-CD1 3.53Å; F20-L61 HydrophobicContact CE1-CG 4.17Å; F20-L61 HydrophobicContact CZ-CD1 3.82Å
21	A	89.4	Confident	81.4	Confident	3 Å²	3	59.4 Å²	59.4	3%	0.025	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	144.1	165	0	0	0	0	0	110.1	C14 V39 K130	C14-A21 CarbonylContact O-C 3.53Å; C14-A21 WeakPolarHBondContact O-CA 3.27Å; A21-V39 HydrophobicContact CB-CB 4.44Å; A21-V39 PolarHBondContact N-O 3.49Å; A21-V39 PolarHBondContact O-N 3.41Å; A21-K130 HydrophobicContact CB-CB 4.48Å; A21-K130 HydrophobicContact CB-CG 4.41Å
22	V	90.7	Very high	82.5	Confident	8 Å²	8	56.8 Å²	56.8	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.9	177.4	-172	0	0	0	0	109.5	C14 I16 L37 Y38	C14-V22 HydrophobicContact CB-CB 4.18Å; C14-V22 HydrophobicContact CB-CG2 4.35Å; C14-V22 PolarHBondContact O-N 2.84Å; I16-V22 HydrophobicContact CD1-CG2 3.55Å; I16-V22 HydrophobicContact CG1-CG2 3.75Å; V22-L37 WeakPolarHBondContact CA-O 3.34Å; V22-Y38 HydrophobicContact CG1-CE1 4.37Å; V22-Y38 HydrophobicContact CG2-CD1 4.11Å; V22-Y38 HydrophobicContact CG2-CE1 4.24Å
23	L	89.9	Confident	83.4	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.3	170.7	-58	-173.2	0	0	0	109.3	L37 V39 F76 F79 H132 L138	L23-L37 HydrophobicContact CB-CB 4.35Å; L23-L37 PolarHBondContact N-O 2.95Å; L23-L37 PolarHBondContact O-N 3.42Å; L23-V39 HydrophobicContact CD1-CG2 3.77Å; L23-V39 HydrophobicContact CG-CG2 3.85Å; L23-F76 HydrophobicContact CD1-CE1 4.08Å; L23-F76 HydrophobicContact CD1-CZ 4.33Å; L23-F79 HydrophobicContact CD1-CE2 4.45Å; L23-H132 HydrophobicContact CD2-CB 3.77Å; L23-L138 HydrophobicContact CB-CD1 4.11Å; L23-L138 HydrophobicContact CD1-CD1 4.06Å
24	P	90.3	Very high	84	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.013	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145	173.1	9.9	1.8	0	0	0	110.3	H35 H134 P137 L138	P24-H35 CarbonylContact C-O 3.6Å; P24-H134 WeakPolarHBondContact CG-O 3.31Å; P24-P137 HydrophobicContact CB-CB 4.17Å; P24-L138 WeakPolarHBondContact O-CB 3.37Å; P24-L138 PolarHBondContact O-N 3.34Å
25	L	89.8	Confident	84.6	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.5	-176.9	-170.7	78.1	0	0	0	108.5	H35 L37 P64 L75 L138 V140	L25-H35 HydrophobicContact CB-CB 4.31Å; L25-H35 VanDerWaalsContact CB-O 3.29Å; L25-H35 WeakPolarHBondContact CB-O 3.36Å; L25-H35 PolarHBondContact N-O 2.89Å; L25-H35 PolarHBondContact O-N 3.18Å; L25-L37 HydrophobicContact CB-CG 4.35Å; L25-L37 HydrophobicContact CD1-CD1 4.07Å; L25-L37 HydrophobicContact CD2-CD1 4.28Å; L25-L37 HydrophobicContact CD2-CD2 4.29Å; L25-L37 HydrophobicContact CD2-CG 4.28Å; L25-P64 HydrophobicContact CD2-CG 3.78Å; L25-L75 HydrophobicContact CD1-CD1 4.11Å; L25-L75 HydrophobicContact CD1-CD2 4.48Å; L25-L138 CarbonylContact C-O 3.54Å; L25-L138 WeakPolarHBondContact CA-O 3.37Å; L25-L138 HydrophobicContact CD1-CB 3.75Å; L25-V140 HydrophobicContact CD1-CG2 3.41Å; L25-V140 VanDerWaalsContact CD1-CG2 3.41Å; L25-V140 HydrophobicContact CD2-CG2 3.87Å; L25-V140 HydrophobicContact CG-CG2 3.51Å
26	Q	90.8	Very high	85.1	Confident	22 Å²	22	55 Å²	55	10%	0.103	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.7	172.3	-80.6	178.4	-46.4	0	0	109.9	S31 R34 P137 L138 V140	Q26-S31 PolarHBondContact NE2-O 3.14Å; Q26-R34 HydrophobicContact CG-CG 3.94Å; Q26-P137 HydrophobicContact CB-CB 4.43Å; Q26-P137 HydrophobicContact CG-CB 3.93Å; Q26-P137 HydrophobicContact CG-CG 4.23Å; Q26-L138 PolarHBondContact N-O 3.17Å; Q26-V140 WeakPolarHBondContact O-CG2 3.38Å; Q26-V140 PolarHBondContact O-N 3.47Å
27	F	86.5	Confident	85.5	Confident	57 Å²	57	52.4 Å²	52.4	25%	0.25	31%	0.314	C	S	.	.	S	Bend	trans	-70.5	-48.1	178.6	179.9	-103.7	0	0	0	111.9	Y66 V140 S141 V147 T149	F27-Y66 HydrophobicContact CD2-CD2 4.4Å; F27-Y66 HydrophobicContact CD2-CE2 4.28Å; F27-V140 HydrophobicContact CD2-CG1 4.32Å; F27-S141 WeakPolarHBondContact O-CA 3.45Å; F27-S141 WeakPolarHBondContact O-CB 3.37Å; F27-S141 PolarHBondContact O-N 2.86Å; F27-V147 HydrophobicContact CE2-CB 4.2Å; F27-V147 HydrophobicContact CE2-CG1 4.32Å; F27-V147 WeakPolarHBondContact CZ-O 3.34Å; F27-T149 HydrophobicContact CE2-CG2 3.54Å; F27-T149 HydrophobicContact CZ-CG2 3.76Å
28	S	85.6	Confident	86.8	Confident	32 Å²	32	49.3 Å²	49.3	22%	0.224	29%	0.285	C	S	.	.	S	Bend	trans	-133.4	161	174.3	64.7	0	0	0	0	108.6	D30 S31	S28-D30 PolarHBondContact O-N 3.02Å; S28-S31 WeakPolarHBondContact O-CB 3.4Å; S28-S31 PolarHBondContact O-N 3.28Å
29	P	83.6	Confident	87.7	Confident	85 Å²	85	43.2 Å²	43.2	55%	0.552	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.5	-179.1	24.2	-33.7	0	0	0	112.6	S31	P29-S31 PolarHBondContact O-N 2.92Å
30	D	82.9	Confident	88.1	Confident	142 Å²	142	44.5 Å²	44.5	76%	0.759	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-4.6	179	-30.5	-84.2	0	0	0	113.2	S28 A32	S28-D30 PolarHBondContact O-N 3.02Å; D30-A32 PolarHBondContact O-N 3.46Å
31	S	83.8	Confident	88.3	Confident	29 Å²	29	45.7 Å²	45.7	20%	0.203	26%	0.257	C	S	.	.			trans	-80.4	106.9	-172.3	-159.6	0	0	0	0	111.7	Q26 S28 P29 A33	Q26-S31 PolarHBondContact NE2-O 3.14Å; S28-S31 WeakPolarHBondContact O-CB 3.4Å; S28-S31 PolarHBondContact O-N 3.28Å; P29-S31 PolarHBondContact O-N 2.92Å; S31-A33 PolarHBondContact O-N 3.03Å; S31-A33 VanDerWaalsContact O-N 3.11Å
32	A	81.5	Confident	88.1	Confident	103 Å²	103	46.2 Å²	46.2	85%	0.851	26%	0.259	S	S	*	.			trans	-58.5	-21.3	171.7	0	0	0	0	0	113.5	D30 R34	D30-A32 PolarHBondContact O-N 3.46Å; A32-R34 PolarHBondContact O-N 2.91Å
33	A	85	Confident	87.4	Confident	69 Å²	69	53.5 Å²	53.5	57%	0.57	29%	0.29	S	S	*	.			trans	-78.3	116.7	177.8	0	0	0	0	0	111.7	S31	S31-A33 PolarHBondContact O-N 3.03Å; S31-A33 VanDerWaalsContact O-N 3.11Å
34	R	87.9	Confident	86.5	Confident	128 Å²	128	56.8 Å²	56.8	48%	0.483	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.9	172	-64.3	-177.9	174.5	-170.7	-3.5	110.1	Q26 A32	Q26-R34 HydrophobicContact CG-CG 3.94Å; A32-R34 PolarHBondContact O-N 2.91Å
35	H	90.6	Very high	85	Confident	39 Å²	39	69.1 Å²	69.1	18%	0.181	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138	175.9	175.2	87.2	0	0	0	110.1	P24 L25 N62 F113	P24-H35 CarbonylContact C-O 3.6Å; L25-H35 HydrophobicContact CB-CB 4.31Å; L25-H35 VanDerWaalsContact CB-O 3.29Å; L25-H35 WeakPolarHBondContact CB-O 3.36Å; L25-H35 PolarHBondContact N-O 2.89Å; L25-H35 PolarHBondContact O-N 3.18Å; H35-N62 VanDerWaalsContact CE1-CG 3.5Å; H35-N62 PolarHBondContact CE1-ND2 3.49Å; H35-N62 PolarHBondContact CE1-OD1 3.01Å; H35-N62 PolarHBondContact NE2-ND2 2.76Å; H35-N62 PolarHBondContact NE2-O 3.46Å; H35-F113 AromaticContact CE1-CE1 3.44Å; H35-F113 VanDerWaalsContact CE1-CE1 3.44Å; H35-F113 WeakPolarHBondContact CE1-CE1 3.48Å
36	S	91.1	Very high	83.3	Confident	38 Å²	38	73 Å²	73	27%	0.266	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.7	-175.1	-60.2	0	0	0	0	112.4	N62	S36-N62 PolarHBondContact O-ND2 3.04Å
37	L	91.8	Very high	81.6	Confident	5 Å²	5	75.2 Å²	75.2	3%	0.026	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.8	165.2	-60.7	179.3	0	0	0	109.6	V22 L23 L25 V60 N62 I63 F76	V22-L37 WeakPolarHBondContact CA-O 3.34Å; L23-L37 HydrophobicContact CB-CB 4.35Å; L23-L37 PolarHBondContact N-O 2.95Å; L23-L37 PolarHBondContact O-N 3.42Å; L25-L37 HydrophobicContact CB-CG 4.35Å; L25-L37 HydrophobicContact CD1-CD1 4.07Å; L25-L37 HydrophobicContact CD2-CD1 4.28Å; L25-L37 HydrophobicContact CD2-CD2 4.29Å; L25-L37 HydrophobicContact CD2-CG 4.28Å; L37-V60 HydrophobicContact CB-CG1 4.38Å; L37-N62 WeakPolarHBondContact CD2-O 3.45Å; L37-I63 HydrophobicContact CD2-CG1 4.45Å; L37-F76 HydrophobicContact CD1-CZ 4.44Å
38	Y	91.6	Very high	80.1	Confident	75 Å²	75	82.4 Å²	82.4	29%	0.294	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.2	177	-49.3	-73.6	0	0	0	110.4	I16 V22 V60 L61 N62	I16-Y38 HydrophobicContact CD1-CD1 3.71Å; I16-Y38 HydrophobicContact CD1-CE1 3.59Å; V22-Y38 HydrophobicContact CG1-CE1 4.37Å; V22-Y38 HydrophobicContact CG2-CD1 4.11Å; V22-Y38 HydrophobicContact CG2-CE1 4.24Å; Y38-V60 CarbonylContact O-C 3.58Å; Y38-V60 WeakPolarHBondContact O-CA 3.41Å; Y38-L61 HydrophobicContact CD2-CB 4.47Å; Y38-L61 PolarHBondContact N-O 3.39Å; Y38-L61 PolarHBondContact O-N 3.24Å; Y38-N62 HydrophobicContact CD2-CB 4.01Å; Y38-N62 HydrophobicContact CE2-CB 4.16Å
39	V	92	Very high	78.9	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129	-162.3	175.3	0	0	0	0	110.8	F20 A21 L23 L58 F59 V60 K130	F20-V39 CarbonylContact C-O 3.07Å; F20-V39 WeakPolarHBondContact CA-O 3.46Å; A21-V39 HydrophobicContact CB-CB 4.44Å; A21-V39 PolarHBondContact N-O 3.49Å; A21-V39 PolarHBondContact O-N 3.41Å; L23-V39 HydrophobicContact CD1-CG2 3.77Å; L23-V39 HydrophobicContact CG-CG2 3.85Å; V39-L58 HydrophobicContact CG1-CD1 3.47Å; V39-L58 VanDerWaalsContact CG1-CD1 3.47Å; V39-L58 HydrophobicContact CG1-CD2 3.72Å; V39-L58 HydrophobicContact CG1-CG 3.66Å; V39-F59 WeakPolarHBondContact CA-O 3.38Å; V39-V60 HydrophobicContact CG2-CG1 4.3Å; V39-V60 HydrophobicContact CG2-CG2 4.28Å; V39-K130 HydrophobicContact CG1-CG 4.38Å
40	K	90.4	Very high	77.9	Confident	64 Å²	64	84.9 Å²	84.9	28%	0.278	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	155.4	-179.1	-165.3	161.6	177.1	174.2	0	110.4	E18 F20 F59	E18-K40 VanDerWaalsContact O-CE 3.31Å; E18-K40 WeakPolarHBondContact O-CE 3.3Å; E18-K40 PolarHBondContact O-NZ 3.33Å; E18-K40 IonicContact OE2-NZ 3.15Å; E18-K40 PolarHBondContact OE2-NZ 3.35Å; F20-K40 HydrophobicContact CD1-CB 3.63Å; F20-K40 HydrophobicContact CD1-CD 4.01Å; F20-K40 HydrophobicContact CD1-CG 4.43Å; F20-K40 HydrophobicContact CD2-CD 3.86Å; F20-K40 HydrophobicContact CE1-CB 3.69Å; F20-K40 HydrophobicContact CE1-CD 3.78Å; F20-K40 HydrophobicContact CE1-CG 4.4Å; F20-K40 HydrophobicContact CE2-CD 3.62Å; F20-K40 HydrophobicContact CG-CB 4.26Å; F20-K40 HydrophobicContact CG-CD 4.05Å; F20-K40 HydrophobicContact CZ-CB 4.38Å; F20-K40 HydrophobicContact CZ-CD 3.58Å; K40-F59 HydrophobicContact CB-CD1 4.45Å; K40-F59 PolarHBondContact N-O 2.91Å; K40-F59 WeakPolarHBondContact O-CB 3.22Å; K40-F59 PolarHBondContact O-N 3.26Å
41	E	89.7	Confident	77.3	Confident	57 Å²	57	81.4 Å²	81.4	27%	0.266	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.6	169.7	-81.1	154.9	-155.1	0	0	110	K43 V126 K130	E41-K43 HydrophobicContact CB-CD 4.41Å; E41-K43 HydrophobicContact CB-CG 4.29Å; E41-K43 PolarHBondContact O-N 3.09Å; E41-K43 WeakPolarHBondContact OE2-CE 3.37Å; E41-K43 IonicContact OE2-NZ 3.88Å; E41-K43 PolarHBondContact OE2-NZ 2.94Å; E41-V126 HydrophobicContact CG-CG1 3.6Å; E41-K130 VanDerWaalsContact CD-NZ 3.34Å; E41-K130 HydrophobicContact CG-CD 3.97Å; E41-K130 WeakPolarHBondContact OE1-CD 3.42Å; E41-K130 IonicContact OE1-NZ 3.45Å; E41-K130 PolarHBondContact OE1-NZ 3.41Å; E41-K130 IonicContact OE2-NZ 2.62Å
42	H	84.6	Confident	77	Confident	14 Å²	14	80.5 Å²	80.5	7%	0.065	42%	0.416	C	S	.	.			trans	-76.1	91.8	178.3	-178.1	47.9	0	0	0	111.4	V44 L54 T57 F59 Y117	H42-V44 VanDerWaalsContact CE1-CG2 3.43Å; H42-V44 WeakPolarHBondContact CE1-CG2 3.43Å; H42-L54 VanDerWaalsContact O-CD2 3.24Å; H42-L54 WeakPolarHBondContact O-CD2 3.45Å; H42-T57 HydrophobicContact CB-CG2 3.7Å; H42-T57 WeakPolarHBondContact CB-O 3.3Å; H42-T57 PolarHBondContact N-O 3.01Å; H42-F59 HydrophobicContact CB-CB 4.34Å; H42-Y117 AromaticContact CE1-CD1 3.93Å; H42-Y117 AromaticContact CE1-CE1 3.34Å; H42-Y117 WeakPolarHBondContact CE1-CE1 3.39Å; H42-Y117 AromaticContact CG-CD1 3.92Å; H42-Y117 AromaticContact ND1-CD1 3.8Å; H42-Y117 AromaticContact ND1-CE1 3.43Å; H42-Y117 WeakPolarHBondContact ND1-CE1 3.45Å
43	K	75.6	Confident	76.9	Confident	160 Å²	160	77.1 Å²	77.1	70%	0.696	39%	0.386	S	S	*	.			trans	-114	84.4	178.4	-66.6	-178.3	-178	171.7	0	111.2	E41	E41-K43 HydrophobicContact CB-CD 4.41Å; E41-K43 HydrophobicContact CB-CG 4.29Å; E41-K43 PolarHBondContact O-N 3.09Å; E41-K43 WeakPolarHBondContact OE2-CE 3.37Å; E41-K43 IonicContact OE2-NZ 3.88Å; E41-K43 PolarHBondContact OE2-NZ 2.94Å
44	V	72.4	Confident	76.6	Confident	71 Å²	71	76.3 Å²	76.3	43%	0.43	37%	0.372	S	S	.	.			trans	-112.9	125	172.7	171.6	0	0	0	0	109.3	H42 A46	H42-V44 VanDerWaalsContact CE1-CG2 3.43Å; H42-V44 WeakPolarHBondContact CE1-CG2 3.43Å; V44-A46 VanDerWaalsContact C-N 3.32Å; V44-A46 HydrophobicContact CG1-CB 4.1Å; V44-A46 PolarHBondContact O-N 3.32Å
45	R	57.7	Low	76.3	Confident	260 Å²	260	76.7 Å²	76.7	98%	0.981	38%	0.383	S	S	*	.	S	Bend	trans	-72.8	-19.3	-175.8	-71.6	-177.3	174.9	176.2	-1.8	114.6
46	A	54	Low	76.1	Confident	83 Å²	83	79.1 Å²	79.1	69%	0.686	39%	0.391	S	S	*	.	S	Bend	trans	-77.3	-37.3	-163.1	0	0	0	0	0	115.2	V44	V44-A46 VanDerWaalsContact C-N 3.32Å; V44-A46 HydrophobicContact CG1-CB 4.1Å; V44-A46 PolarHBondContact O-N 3.32Å
47	E	54.9	Low	76	Confident	69 Å²	69	77.3 Å²	77.3	32%	0.322	38%	0.378	S	S	.	.			trans	-139.7	105.1	-163.1	-80.3	176.2	-138.6	0	0	112.1	T49 Y51 S93	E47-T49 PolarHBondContact O-N 3.31Å; E47-Y51 PolarHBondContact OE2-OH 3.41Å; E47-S93 WeakPolarHBondContact OE1-CB 3.42Å; E47-S93 PolarHBondContact OE1-OG 3.48Å; E47-S93 WeakPolarHBondContact OE2-CB 3.44Å
48	K	54.7	Low	76	Confident	208 Å²	208	77 Å²	77	90%	0.904	38%	0.377	S	S	*	.			trans	-79.1	53.1	167.5	-75.2	-170.7	174.7	-176.3	0	111.4
49	T	60.5	Low	76	Confident	52 Å²	52	75 Å²	75	32%	0.319	37%	0.369	S	S	.	.			trans	-84.9	138	-176.6	-36.5	0	0	0	0	110.9	E47 Y51 R52	E47-T49 PolarHBondContact O-N 3.31Å; T49-Y51 VanDerWaalsContact CB-CE1 3.44Å; T49-Y51 HydrophobicContact CG2-CD1 3.36Å; T49-Y51 HydrophobicContact CG2-CE1 3.42Å; T49-Y51 VanDerWaalsContact CG2-CE1 3.42Å; T49-Y51 PolarHBondContact O-N 3.02Å; T49-R52 PolarHBondContact O-N 3.14Å
50	S	63.3	Low	76	Confident	117 Å²	117	75 Å²	75	82%	0.818	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-21	-175.4	53.5	0	0	0	0	114.9
51	Y	70.3	Confident	76.1	Confident	69 Å²	69	74 Å²	74	27%	0.271	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.5	179.4	76	-102	0	0	0	115.1	E47 T49 S94	E47-Y51 PolarHBondContact OE2-OH 3.41Å; T49-Y51 VanDerWaalsContact CB-CE1 3.44Å; T49-Y51 HydrophobicContact CG2-CD1 3.36Å; T49-Y51 HydrophobicContact CG2-CE1 3.42Å; T49-Y51 VanDerWaalsContact CG2-CE1 3.42Å; T49-Y51 PolarHBondContact O-N 3.02Å; Y51-S94 PolarHBondContact OH-N 2.85Å; Y51-S94 VanDerWaalsContact OH-N 3.14Å
52	R	77.4	Confident	76.2	Confident	10 Å²	10	73.7 Å²	73.7	4%	0.038	37%	0.367	C	S	.	.	S	Bend	trans	-133.8	67.6	177.5	-89.3	-177.3	-177.4	-145.4	-75.6	111.4	T49 L54 T57 E86 G92 G116 Y117	T49-R52 PolarHBondContact O-N 3.14Å; R52-L54 PolarHBondContact O-N 2.79Å; R52-T57 HydrophobicContact CG-CG2 4.37Å; R52-E86 IonicContact CZ-OE2 2.77Å; R52-E86 IonicContact NE-OE2 3.7Å; R52-E86 PolarHBondContact NE-OE2 2.87Å; R52-E86 VanDerWaalsContact NE-OE2 3.1Å; R52-G92 PolarHBondContact NH1-O 3.4Å; R52-G116 PolarHBondContact NH2-O 2.81Å; R52-G116 VanDerWaalsContact NH2-O 3.08Å; R52-Y117 HydrophobicContact CG-CD1 3.87Å; R52-Y117 HydrophobicContact CG-CG 3.96Å; R52-Y117 VanDerWaalsContact NE-CE1 3.27Å; R52-Y117 PolarHBondContact NH1-OH 3.17Å; R52-Y117 PolarHBondContact NH2-OH 3.46Å
53	P	79.8	Confident	76.5	Confident	32 Å²	32	73.3 Å²	73.3	21%	0.208	37%	0.365	C	S	.	.			trans	-66.1	116.3	179.2	27.7	-34.6	0	0	0	111.5	D55 R56 T57 V119	P53-D55 VanDerWaalsContact C-N 3.33Å; P53-D55 PolarHBondContact O-N 3.43Å; P53-R56 HydrophobicContact CB-CG 4.14Å; P53-R56 HydrophobicContact CG-CG 3.72Å; P53-R56 PolarHBondContact O-N 2.84Å; P53-T57 VanDerWaalsContact O-CB 3.31Å; P53-T57 WeakPolarHBondContact O-CB 3.4Å; P53-T57 PolarHBondContact O-N 2.89Å; P53-T57 VanDerWaalsContact O-N 3.12Å; P53-T57 PolarHBondContact O-OG1 2.96Å; P53-V119 HydrophobicContact CG-CG1 3.65Å
54	L	77.4	Confident	77.2	Confident	52 Å²	52	65.8 Å²	65.8	27%	0.272	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-50.9	-46.5	-168.9	-58.9	173.8	0	0	0	113.4	H42 R52 R56 T57	H42-L54 VanDerWaalsContact O-CD2 3.24Å; H42-L54 WeakPolarHBondContact O-CD2 3.45Å; R52-L54 PolarHBondContact O-N 2.79Å; L54-R56 PolarHBondContact O-N 3.09Å; L54-T57 PolarHBondContact O-N 2.87Å
55	D	81.6	Confident	77.9	Confident	135 Å²	135	64.8 Å²	64.8	72%	0.722	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-74	-11.1	-168.5	-43.5	-64	0	0	0	114.3	P53 S123	P53-D55 VanDerWaalsContact C-N 3.33Å; P53-D55 PolarHBondContact O-N 3.43Å; D55-S123 WeakPolarHBondContact O-CA 3.41Å; D55-S123 WeakPolarHBondContact O-CB 3.38Å
56	R	87.8	Confident	79.3	Confident	90 Å²	90	55.6 Å²	55.6	34%	0.34	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-135.2	13.8	-179.5	68.7	-169.4	-171.8	133.4	2.4	113.8	P53 L54 V119 F120 E121	P53-R56 HydrophobicContact CB-CG 4.14Å; P53-R56 HydrophobicContact CG-CG 3.72Å; P53-R56 PolarHBondContact O-N 2.84Å; L54-R56 PolarHBondContact O-N 3.09Å; R56-V119 HydrophobicContact CG-CG1 4.13Å; R56-F120 VanDerWaalsContact CD-O 3.23Å; R56-F120 WeakPolarHBondContact CD-O 3.46Å; R56-F120 WeakPolarHBondContact CG-O 3.2Å; R56-F120 PolarHBondContact NH1-O 3.01Å; R56-F120 PolarHBondContact O-N 3.11Å; R56-E121 PolarHBondContact NH1-O 3.37Å
57	T	89.1	Confident	80.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.5	177.2	-58.3	0	0	0	0	111	H42 R52 P53 L54 Y117 I118 V119	H42-T57 HydrophobicContact CB-CG2 3.7Å; H42-T57 WeakPolarHBondContact CB-O 3.3Å; H42-T57 PolarHBondContact N-O 3.01Å; R52-T57 HydrophobicContact CG-CG2 4.37Å; P53-T57 VanDerWaalsContact O-CB 3.31Å; P53-T57 WeakPolarHBondContact O-CB 3.4Å; P53-T57 PolarHBondContact O-N 2.89Å; P53-T57 VanDerWaalsContact O-N 3.12Å; P53-T57 PolarHBondContact O-OG1 2.96Å; L54-T57 PolarHBondContact O-N 2.87Å; T57-Y117 HydrophobicContact CG2-CD1 4.01Å; T57-I118 WeakPolarHBondContact CA-O 3.39Å; T57-V119 HydrophobicContact CG2-CG2 4.29Å
58	L	90.9	Very high	82.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.2	171.7	-162.4	74	0	0	0	109.7	V39 V60 F76 I118 F120 V126 A129	V39-L58 HydrophobicContact CG1-CD1 3.47Å; V39-L58 VanDerWaalsContact CG1-CD1 3.47Å; V39-L58 HydrophobicContact CG1-CD2 3.72Å; V39-L58 HydrophobicContact CG1-CG 3.66Å; L58-V60 HydrophobicContact CD2-CG2 3.96Å; L58-V60 HydrophobicContact CG-CG2 4.11Å; L58-F76 HydrophobicContact CD2-CD1 3.9Å; L58-F76 HydrophobicContact CD2-CE1 3.57Å; L58-I118 HydrophobicContact CB-CB 4.29Å; L58-I118 PolarHBondContact N-O 2.86Å; L58-I118 PolarHBondContact O-N 3.27Å; L58-F120 HydrophobicContact CB-CD2 4.43Å; L58-F120 HydrophobicContact CB-CE2 3.92Å; L58-F120 HydrophobicContact CD2-CE2 4.03Å; L58-V126 HydrophobicContact CD1-CB 4.48Å; L58-V126 HydrophobicContact CD1-CG1 3.86Å; L58-A129 HydrophobicContact CD1-CB 4.39Å; L58-A129 HydrophobicContact CD2-CB 3.8Å
59	F	91.4	Very high	84.2	Confident	31 Å²	31	48.6 Å²	48.6	14%	0.136	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.3	173.6	179.5	-105.8	0	0	0	109.2	F20 V39 K40 H42 L61 P91 V115 Y117	F20-F59 HydrophobicContact CE1-CD1 4.08Å; F20-F59 HydrophobicContact CE1-CE1 4.09Å; F20-F59 HydrophobicContact CZ-CE1 4.41Å; V39-F59 WeakPolarHBondContact CA-O 3.38Å; K40-F59 HydrophobicContact CB-CD1 4.45Å; K40-F59 PolarHBondContact N-O 2.91Å; K40-F59 WeakPolarHBondContact O-CB 3.22Å; K40-F59 PolarHBondContact O-N 3.26Å; H42-F59 HydrophobicContact CB-CB 4.34Å; F59-L61 HydrophobicContact CD1-CG 4.4Å; F59-L61 HydrophobicContact CE1-CD1 4.11Å; F59-L61 HydrophobicContact CE1-CD2 3.6Å; F59-L61 HydrophobicContact CE1-CG 3.69Å; F59-L61 HydrophobicContact CZ-CD2 3.57Å; F59-L61 HydrophobicContact CZ-CG 4.19Å; F59-P91 HydrophobicContact CE2-CB 4.29Å; F59-P91 HydrophobicContact CZ-CB 4.16Å; F59-V115 HydrophobicContact CD2-CG1 4.13Å; F59-V115 HydrophobicContact CE2-CG1 3.36Å; F59-V115 HydrophobicContact CZ-CG1 3.78Å; F59-Y117 HydrophobicContact CD2-CD1 4.11Å; F59-Y117 AromaticContact CD2-CE1 3.45Å; F59-Y117 HydrophobicContact CD2-CE1 3.45Å; F59-Y117 VanDerWaalsContact CD2-CE1 3.45Å; F59-Y117 AromaticContact CE2-CE1 3.78Å; F59-Y117 HydrophobicContact CE2-CE1 3.78Å; F59-Y117 AromaticContact CE2-CZ 3.79Å
60	V	92.3	Very high	85.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.5	-174.9	-175.1	0	0	0	0	110.1	L37 Y38 V39 L58 I63 F76 V115 G116 I118	L37-V60 HydrophobicContact CB-CG1 4.38Å; Y38-V60 CarbonylContact O-C 3.58Å; Y38-V60 WeakPolarHBondContact O-CA 3.41Å; V39-V60 HydrophobicContact CG2-CG1 4.3Å; V39-V60 HydrophobicContact CG2-CG2 4.28Å; L58-V60 HydrophobicContact CD2-CG2 3.96Å; L58-V60 HydrophobicContact CG-CG2 4.11Å; V60-I63 HydrophobicContact CB-CD1 4.13Å; V60-I63 HydrophobicContact CB-CG1 4.43Å; V60-I63 HydrophobicContact CG1-CD1 4.03Å; V60-I63 HydrophobicContact CG1-CG1 3.83Å; V60-F76 HydrophobicContact CG2-CE1 4.45Å; V60-F76 HydrophobicContact CG2-CZ 4.2Å; V60-V115 CarbonylContact O-C 3.57Å; V60-V115 WeakPolarHBondContact O-CA 3.4Å; V60-G116 PolarHBondContact N-O 3.32Å; V60-G116 PolarHBondContact O-N 2.96Å; V60-I118 HydrophobicContact CG2-CD1 3.91Å; V60-I118 HydrophobicContact CG2-CG1 4.38Å
61	L	91.9	Very high	86.8	Confident	45 Å²	45	44.9 Å²	44.9	24%	0.236	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	166.1	175	-64.6	176	0	0	0	111.4	F20 Y38 F59 I63 V115	F20-L61 HydrophobicContact CD1-CD1 4.32Å; F20-L61 HydrophobicContact CE1-CD1 3.53Å; F20-L61 HydrophobicContact CE1-CG 4.17Å; F20-L61 HydrophobicContact CZ-CD1 3.82Å; Y38-L61 HydrophobicContact CD2-CB 4.47Å; Y38-L61 PolarHBondContact N-O 3.39Å; Y38-L61 PolarHBondContact O-N 3.24Å; F59-L61 HydrophobicContact CD1-CG 4.4Å; F59-L61 HydrophobicContact CE1-CD1 4.11Å; F59-L61 HydrophobicContact CE1-CD2 3.6Å; F59-L61 HydrophobicContact CE1-CG 3.69Å; F59-L61 HydrophobicContact CZ-CD2 3.57Å; F59-L61 HydrophobicContact CZ-CG 4.19Å; L61-I63 VanDerWaalsContact C-N 3.33Å; L61-I63 PolarHBondContact O-N 3.37Å; L61-V115 HydrophobicContact CD2-CG1 4.12Å; L61-V115 HydrophobicContact CD2-CG2 3.77Å
62	N	91.6	Very high	87.8	Confident	49 Å²	49	41.8 Å²	41.8	26%	0.262	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	62.5	32.2	172.1	-159.4	23.3	0	0	0	114.3	H35 S36 L37 Y38 P64 F113	H35-N62 VanDerWaalsContact CE1-CG 3.5Å; H35-N62 PolarHBondContact CE1-ND2 3.49Å; H35-N62 PolarHBondContact CE1-OD1 3.01Å; H35-N62 PolarHBondContact NE2-ND2 2.76Å; H35-N62 PolarHBondContact NE2-O 3.46Å; S36-N62 PolarHBondContact O-ND2 3.04Å; L37-N62 WeakPolarHBondContact CD2-O 3.45Å; Y38-N62 HydrophobicContact CD2-CB 4.01Å; Y38-N62 HydrophobicContact CE2-CB 4.16Å; N62-P64 WeakPolarHBondContact O-CD 3.33Å; N62-F113 WeakPolarHBondContact OD1-CD1 3.5Å
63	I	91.9	Very high	88.5	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.5	-179.3	-60	176.7	0	0	0	109.9	L37 V60 L61 C67 I72 L87 F113 K114	L37-I63 HydrophobicContact CD2-CG1 4.45Å; V60-I63 HydrophobicContact CB-CD1 4.13Å; V60-I63 HydrophobicContact CB-CG1 4.43Å; V60-I63 HydrophobicContact CG1-CD1 4.03Å; V60-I63 HydrophobicContact CG1-CG1 3.83Å; L61-I63 VanDerWaalsContact C-N 3.33Å; L61-I63 PolarHBondContact O-N 3.37Å; I63-C67 HydrophobicContact CG2-CB 3.91Å; I63-I72 HydrophobicContact CD1-CD1 4.36Å; I63-I72 HydrophobicContact CG2-CD1 3.51Å; I63-I72 HydrophobicContact CG2-CG1 4.49Å; I63-L87 HydrophobicContact CD1-CD2 3.66Å; I63-L87 HydrophobicContact CG2-CD2 4.45Å; I63-F113 CarbonylContact O-C 3.57Å; I63-F113 VanDerWaalsContact O-CA 3.26Å; I63-F113 WeakPolarHBondContact O-CA 3.32Å; I63-K114 HydrophobicContact CB-CB 4.48Å; I63-K114 VanDerWaalsContact CB-O 3.32Å; I63-K114 WeakPolarHBondContact CB-O 3.49Å; I63-K114 PolarHBondContact N-O 2.7Å; I63-K114 PolarHBondContact O-N 2.83Å
64	P	90.3	Very high	89	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.019	24%	0.238	C	C	.	.			trans	-65.9	151.2	-177.5	-23.8	34	0	0	0	115.1	L25 N62 Y66 C67 F113	L25-P64 HydrophobicContact CD2-CG 3.78Å; N62-P64 WeakPolarHBondContact O-CD 3.33Å; P64-Y66 HydrophobicContact CB-CD1 3.78Å; P64-Y66 HydrophobicContact CB-CD2 4Å; P64-Y66 HydrophobicContact CB-CE1 3.42Å; P64-Y66 VanDerWaalsContact CB-CE1 3.42Å; P64-Y66 HydrophobicContact CB-CE2 3.64Å; P64-Y66 HydrophobicContact CB-CG 4.07Å; P64-Y66 HydrophobicContact CG-CE1 4.13Å; P64-Y66 HydrophobicContact CG-CE2 3.91Å; P64-Y66 PolarHBondContact O-N 3Å; P64-C67 PolarHBondContact O-N 3.24Å; P64-F113 HydrophobicContact CB-CD1 4.46Å; P64-F113 HydrophobicContact CB-CE1 4.06Å; P64-F113 HydrophobicContact CG-CE1 4.18Å
65	P	86.4	Confident	89.6	Confident	50 Å²	50	45.5 Å²	45.5	33%	0.325	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	1.1	178.9	28	-35.7	0	0	0	115.4	K153	P65-K153 PolarHBondContact O-NZ 3.44Å
66	Y	86.6	Confident	90	Very high	67 Å²	67	39.2 Å²	39.2	26%	0.263	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-18.9	168.7	53	-107.2	0	0	0	113.2	F27 P64 S68 V140 T149	F27-Y66 HydrophobicContact CD2-CD2 4.4Å; F27-Y66 HydrophobicContact CD2-CE2 4.28Å; P64-Y66 HydrophobicContact CB-CD1 3.78Å; P64-Y66 HydrophobicContact CB-CD2 4Å; P64-Y66 HydrophobicContact CB-CE1 3.42Å; P64-Y66 VanDerWaalsContact CB-CE1 3.42Å; P64-Y66 HydrophobicContact CB-CE2 3.64Å; P64-Y66 HydrophobicContact CB-CG 4.07Å; P64-Y66 HydrophobicContact CG-CE1 4.13Å; P64-Y66 HydrophobicContact CG-CE2 3.91Å; P64-Y66 PolarHBondContact O-N 3Å; Y66-S68 PolarHBondContact O-N 3.12Å; Y66-V140 HydrophobicContact CD2-CG1 4Å; Y66-V140 HydrophobicContact CE2-CG1 3.99Å; Y66-V140 HydrophobicContact CE2-CG2 4.16Å; Y66-T149 HydrophobicContact CG-CG2 4.43Å
67	C	87.6	Confident	90.1	Very high	10 Å²	10	38 Å²	38	7%	0.068	20%	0.2	C	C	.	.			trans	-80.2	101	178	-66.9	0	0	0	0	110.5	I63 P64 I72	I63-C67 HydrophobicContact CG2-CB 3.91Å; P64-C67 PolarHBondContact O-N 3.24Å; C67-I72 HydrophobicContact CB-CD1 3.88Å; C67-I72 HydrophobicContact CB-CG1 3.85Å
68	S	88.8	Confident	90.1	Very high	51 Å²	51	43.4 Å²	43.4	36%	0.357	23%	0.225	S	C	.	.			trans	-77.5	169	173.7	77.3	0	0	0	0	111.8	Y66 S70 V71 I72	Y66-S68 PolarHBondContact O-N 3.12Å; S68-S70 PolarHBondContact O-N 2.85Å; S68-S70 PolarHBondContact OG-OG 3.13Å; S68-V71 PolarHBondContact O-N 3.38Å; S68-V71 WeakPolarHBondContact OG-CG2 3.37Å; S68-V71 PolarHBondContact OG-N 2.79Å; S68-I72 WeakPolarHBondContact O-CG1 3.36Å; S68-I72 PolarHBondContact O-N 3.25Å
69	R	90.5	Very high	89.9	Confident	151 Å²	151	44.4 Å²	44.4	57%	0.57	23%	0.23	S	C	*	.	H	α-helix	trans	-58.2	-34	177.4	-66.4	-177	-175.5	179.1	-0.7	113.3	K73 V85 L87	R69-K73 WeakPolarHBondContact O-CB 3.5Å; R69-K73 PolarHBondContact O-N 3.42Å; R69-V85 HydrophobicContact CB-CG1 4.43Å; R69-V85 WeakPolarHBondContact CD-O 3.47Å; R69-V85 HydrophobicContact CG-CG1 4.44Å; R69-L87 HydrophobicContact CG-CD1 3.64Å; R69-L87 HydrophobicContact CG-CG 4.01Å
70	S	89.2	Confident	89.8	Confident	74 Å²	74	44.1 Å²	44.1	52%	0.517	24%	0.235	S	C	.	.	H	α-helix	trans	-72.8	-45.5	176.3	54	0	0	0	0	111.7	S68 I72 K73 D74	S68-S70 PolarHBondContact O-N 2.85Å; S68-S70 PolarHBondContact OG-OG 3.13Å; S70-I72 PolarHBondContact O-N 3.29Å; S70-K73 PolarHBondContact O-N 3.43Å; S70-K73 VanDerWaalsContact O-N 3.09Å; S70-D74 PolarHBondContact O-N 2.97Å
71	V	90.3	Very high	89.7	Confident	18 Å²	18	48 Å²	48	11%	0.109	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-40.3	175.2	172.3	0	0	0	0	111	S68 D74 L75 V140 V147	S68-V71 PolarHBondContact O-N 3.38Å; S68-V71 WeakPolarHBondContact OG-CG2 3.37Å; S68-V71 PolarHBondContact OG-N 2.79Å; V71-D74 PolarHBondContact O-N 3.43Å; V71-L75 HydrophobicContact CG1-CD1 3.85Å; V71-L75 HydrophobicContact CG1-CG 4.39Å; V71-L75 VanDerWaalsContact O-CB 3.32Å; V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 WeakPolarHBondContact O-CG 3.47Å; V71-L75 PolarHBondContact O-N 3.14Å; V71-V140 HydrophobicContact CG1-CG1 3.95Å; V71-V147 HydrophobicContact CG1-CG2 4.15Å; V71-V147 HydrophobicContact CG2-CG2 3.64Å
72	I	91.4	Very high	89.7	Confident	4 Å²	4	46 Å²	46	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-73.4	-36.2	177.5	-65	165.2	0	0	0	111.7	I63 C67 S68 S70 D74 L75 F76 V85 L87 I118	I63-I72 HydrophobicContact CD1-CD1 4.36Å; I63-I72 HydrophobicContact CG2-CD1 3.51Å; I63-I72 HydrophobicContact CG2-CG1 4.49Å; C67-I72 HydrophobicContact CB-CD1 3.88Å; C67-I72 HydrophobicContact CB-CG1 3.85Å; S68-I72 WeakPolarHBondContact O-CG1 3.36Å; S68-I72 PolarHBondContact O-N 3.25Å; S70-I72 PolarHBondContact O-N 3.29Å; I72-D74 VanDerWaalsContact C-N 3.31Å; I72-D74 PolarHBondContact O-N 3Å; I72-L75 PolarHBondContact O-N 3.28Å; I72-F76 HydrophobicContact CG2-CD2 3.92Å; I72-F76 HydrophobicContact CG2-CE2 4.22Å; I72-F76 WeakPolarHBondContact O-CD2 3.49Å; I72-F76 PolarHBondContact O-N 2.96Å; I72-V85 HydrophobicContact CB-CG1 4.13Å; I72-V85 HydrophobicContact CG2-CG1 3.75Å; I72-V85 HydrophobicContact CG2-CG2 4.41Å; I72-L87 HydrophobicContact CD1-CD1 3.86Å; I72-L87 HydrophobicContact CD1-CD2 3.58Å; I72-L87 HydrophobicContact CD1-CG 4.31Å; I72-I118 HydrophobicContact CG2-CD1 3.54Å; I72-I118 HydrophobicContact CG2-CG1 4.13Å
73	K	91.7	Very high	89.7	Confident	95 Å²	95	45.8 Å²	45.8	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-61.1	-43	172.4	-174.7	169.4	-179.8	159.8	0	111.2	R69 S70 S77 V82 V85	R69-K73 WeakPolarHBondContact O-CB 3.5Å; R69-K73 PolarHBondContact O-N 3.42Å; S70-K73 PolarHBondContact O-N 3.43Å; S70-K73 VanDerWaalsContact O-N 3.09Å; K73-S77 WeakPolarHBondContact O-CB 3.27Å; K73-S77 PolarHBondContact O-N 3.32Å; K73-S77 VanDerWaalsContact O-N 3.11Å; K73-V82 WeakPolarHBondContact CE-O 3.5Å; K73-V82 HydrophobicContact CG-CB 4.02Å; K73-V82 HydrophobicContact CG-CG1 4.12Å; K73-V82 PolarHBondContact NZ-O 2.87Å; K73-V85 HydrophobicContact CB-CG2 4.08Å
74	D	90.4	Very high	89.6	Confident	64 Å²	64	48 Å²	48	34%	0.342	27%	0.269	S	S	.	.	H	α-helix	trans	-66.8	-48.6	176.6	-69.4	-32.7	0	0	0	111.7	S70 V71 I72 F76 S77 K145	S70-D74 PolarHBondContact O-N 2.97Å; V71-D74 PolarHBondContact O-N 3.43Å; I72-D74 VanDerWaalsContact C-N 3.31Å; I72-D74 PolarHBondContact O-N 3Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.79Å; D74-S77 PolarHBondContact O-N 2.81Å; D74-S77 PolarHBondContact O-OG 3.07Å; D74-K145 IonicContact OD1-NZ 2.7Å; D74-K145 PolarHBondContact OD1-NZ 3.24Å; D74-K145 WeakPolarHBondContact OD2-CD 3.24Å; D74-K145 IonicContact OD2-NZ 3.15Å; D74-K145 PolarHBondContact OD2-NZ 2.93Å
75	L	89.8	Confident	89.6	Confident	13 Å²	13	48.9 Å²	48.9	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-39.3	178.9	-80.4	168.6	0	0	0	113.5	L25 V71 I72 Q78 L138 V139 V140	L25-L75 HydrophobicContact CD1-CD1 4.11Å; L25-L75 HydrophobicContact CD1-CD2 4.48Å; V71-L75 HydrophobicContact CG1-CD1 3.85Å; V71-L75 HydrophobicContact CG1-CG 4.39Å; V71-L75 VanDerWaalsContact O-CB 3.32Å; V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 WeakPolarHBondContact O-CG 3.47Å; V71-L75 PolarHBondContact O-N 3.14Å; I72-L75 PolarHBondContact O-N 3.28Å; L75-Q78 WeakPolarHBondContact O-CG 3.48Å; L75-L138 HydrophobicContact CD2-CB 4.18Å; L75-V139 WeakPolarHBondContact CD2-O 3.45Å; L75-V140 HydrophobicContact CD1-CG2 4.21Å
76	F	90.4	Very high	89.7	Confident	3 Å²	3	48.8 Å²	48.8	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-91.1	-7.1	-178.8	-76.1	-97.2	0	0	0	113.3	L23 L37 L58 V60 I72 D74 Q78 F79 V82 I118 F120	L23-F76 HydrophobicContact CD1-CE1 4.08Å; L23-F76 HydrophobicContact CD1-CZ 4.33Å; L37-F76 HydrophobicContact CD1-CZ 4.44Å; L58-F76 HydrophobicContact CD2-CD1 3.9Å; L58-F76 HydrophobicContact CD2-CE1 3.57Å; V60-F76 HydrophobicContact CG2-CE1 4.45Å; V60-F76 HydrophobicContact CG2-CZ 4.2Å; I72-F76 HydrophobicContact CG2-CD2 3.92Å; I72-F76 HydrophobicContact CG2-CE2 4.22Å; I72-F76 WeakPolarHBondContact O-CD2 3.49Å; I72-F76 PolarHBondContact O-N 2.96Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.79Å; F76-Q78 PolarHBondContact O-N 2.66Å; F76-F79 HydrophobicContact CB-CD2 4.42Å; F76-F79 AromaticContact CD1-CD2 3.8Å; F76-F79 HydrophobicContact CD1-CD2 3.8Å; F76-F79 HydrophobicContact CD1-CE2 4.04Å; F76-F79 HydrophobicContact CE1-CD2 4.5Å; F76-F79 HydrophobicContact CE1-CE2 4.36Å; F76-F79 HydrophobicContact CG-CD2 4.4Å; F76-F79 PolarHBondContact O-N 3.21Å; F76-V82 HydrophobicContact CB-CG2 4.07Å; F76-I118 HydrophobicContact CB-CD1 4.28Å; F76-I118 HydrophobicContact CB-CG2 4.32Å; F76-I118 HydrophobicContact CD1-CD1 3.8Å; F76-I118 HydrophobicContact CD2-CD1 3.41Å; F76-I118 VanDerWaalsContact CD2-CD1 3.41Å; F76-I118 HydrophobicContact CE1-CD1 3.93Å; F76-I118 HydrophobicContact CE2-CD1 3.54Å; F76-I118 HydrophobicContact CG-CD1 3.54Å; F76-I118 HydrophobicContact CZ-CD1 3.81Å; F76-F120 HydrophobicContact CB-CE1 4.41Å; F76-F120 HydrophobicContact CB-CZ 4.08Å; F76-F120 HydrophobicContact CD1-CZ 4.15Å
77	S	89.4	Confident	89.8	Confident	65 Å²	65	47 Å²	47	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-22.8	177.9	67.1	0	0	0	0	113.4	K73 D74 F79 G80	K73-S77 WeakPolarHBondContact O-CB 3.27Å; K73-S77 PolarHBondContact O-N 3.32Å; K73-S77 VanDerWaalsContact O-N 3.11Å; D74-S77 PolarHBondContact O-N 2.81Å; D74-S77 PolarHBondContact O-OG 3.07Å; S77-F79 PolarHBondContact O-N 2.92Å; S77-G80 WeakPolarHBondContact CA-O 3.49Å; S77-G80 PolarHBondContact O-N 2.73Å
78	Q	88.3	Confident	89.8	Confident	112 Å²	112	47.4 Å²	47.4	52%	0.523	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.9	172.9	72	-178.7	50.8	0	0	113.6	L75 F76	L75-Q78 WeakPolarHBondContact O-CG 3.48Å; F76-Q78 PolarHBondContact O-N 2.66Å
79	F	87.9	Confident	89.6	Confident	22 Å²	22	48.6 Å²	48.6	10%	0.096	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-5.1	175.8	-55.4	-61.8	0	0	0	112.9	L23 F76 S77 F120 S125 A128 A129 H132 L138	L23-F79 HydrophobicContact CD1-CE2 4.45Å; F76-F79 HydrophobicContact CB-CD2 4.42Å; F76-F79 AromaticContact CD1-CD2 3.8Å; F76-F79 HydrophobicContact CD1-CD2 3.8Å; F76-F79 HydrophobicContact CD1-CE2 4.04Å; F76-F79 HydrophobicContact CE1-CD2 4.5Å; F76-F79 HydrophobicContact CE1-CE2 4.36Å; F76-F79 HydrophobicContact CG-CD2 4.4Å; F76-F79 PolarHBondContact O-N 3.21Å; S77-F79 PolarHBondContact O-N 2.92Å; F79-F120 HydrophobicContact CB-CE1 4.19Å; F79-F120 HydrophobicContact CB-CZ 4.28Å; F79-S125 WeakPolarHBondContact O-CA 3.28Å; F79-S125 WeakPolarHBondContact O-CB 3.33Å; F79-S125 PolarHBondContact O-OG 3.47Å; F79-A128 HydrophobicContact CB-CB 4.49Å; F79-A128 HydrophobicContact CD1-CB 4.42Å; F79-A129 HydrophobicContact CB-CB 4.11Å; F79-A129 HydrophobicContact CD1-CB 4.21Å; F79-A129 HydrophobicContact CD2-CB 3.8Å; F79-A129 HydrophobicContact CE2-CB 4.26Å; F79-A129 HydrophobicContact CG-CB 3.77Å; F79-H132 HydrophobicContact CE1-CB 3.74Å; F79-H132 AromaticContact CE1-CG 3.71Å; F79-H132 AromaticContact CE1-ND1 3.44Å; F79-H132 WeakPolarHBondContact CE1-ND1 3.18Å; F79-H132 HydrophobicContact CZ-CB 3.95Å; F79-H132 AromaticContact CZ-CG 3.73Å; F79-H132 AromaticContact CZ-ND1 3.72Å; F79-L138 HydrophobicContact CE2-CD2 4.26Å; F79-L138 HydrophobicContact CZ-CD2 4.1Å
80	G	89.2	Confident	89.2	Confident	24 Å²	24	46.4 Å²	46.4	25%	0.247	27%	0.27	C	S	.	.	S	Bend	trans	128.5	177.9	-179.3	0	0	0	0	0	113.1	S77 V82 S125	S77-G80 WeakPolarHBondContact CA-O 3.49Å; S77-G80 PolarHBondContact O-N 2.73Å; G80-V82 PolarHBondContact O-N 2.95Å; G80-S125 WeakPolarHBondContact CA-OG 3.45Å
81	V	90.8	Very high	88.7	Confident	83 Å²	83	46.4 Å²	46.4	50%	0.503	27%	0.269	S	S	.	.			trans	-69.1	122.9	-169.7	-167.6	0	0	0	0	111.4	F120 E121	V81-F120 WeakPolarHBondContact O-CA 3.24Å; V81-E121 HydrophobicContact CB-CB 4.34Å; V81-E121 HydrophobicContact CB-CG 4.18Å; V81-E121 WeakPolarHBondContact CB-OE2 3.48Å; V81-E121 HydrophobicContact CG1-CG 4.17Å; V81-E121 WeakPolarHBondContact CG1-OE1 3.29Å; V81-E121 WeakPolarHBondContact CG1-OE2 3.23Å; V81-E121 PolarHBondContact O-N 2.7Å
82	V	91.9	Very high	87.8	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	110.6	179.4	177.3	0	0	0	0	109.8	K73 F76 G80 V85 I118 F120	K73-V82 WeakPolarHBondContact CE-O 3.5Å; K73-V82 HydrophobicContact CG-CB 4.02Å; K73-V82 HydrophobicContact CG-CG1 4.12Å; K73-V82 PolarHBondContact NZ-O 2.87Å; F76-V82 HydrophobicContact CB-CG2 4.07Å; G80-V82 PolarHBondContact O-N 2.95Å; V82-V85 HydrophobicContact CG1-CG2 3.59Å; V82-I118 HydrophobicContact CG1-CG2 3.78Å; V82-I118 HydrophobicContact CG2-CG2 4.13Å; V82-F120 HydrophobicContact CG2-CD1 3.88Å; V82-F120 HydrophobicContact CG2-CE1 3.59Å; V82-F120 HydrophobicContact CG2-CZ 4.33Å
83	A	90.2	Very high	86.4	Confident	45 Å²	45	50.2 Å²	50.2	37%	0.372	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-48.2	177.5	0	0	0	0	0	111.6	V119 E121	A83-V119 WeakPolarHBondContact CA-O 3.39Å; A83-V119 WeakPolarHBondContact CB-O 3.28Å; A83-V119 PolarHBondContact N-O 2.94Å; A83-E121 HydrophobicContact CB-CG 3.95Å
84	S	89.6	Confident	84.9	Confident	53 Å²	53	48.7 Å²	48.7	37%	0.371	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154.7	179.3	76.4	0	0	0	0	113.8	V119	S84-V119 PolarHBondContact N-O 3.16Å; S84-V119 VanDerWaalsContact N-O 3.17Å; S84-V119 PolarHBondContact O-N 2.93Å; S84-V119 WeakPolarHBondContact OG-CB 3.44Å; S84-V119 WeakPolarHBondContact OG-CG2 3.49Å
85	V	90.8	Very high	83.2	Confident	21 Å²	21	53.3 Å²	53.3	13%	0.127	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	112.7	175.9	-179.3	0	0	0	0	109.3	R69 I72 K73 V82 L87	R69-V85 HydrophobicContact CB-CG1 4.43Å; R69-V85 WeakPolarHBondContact CD-O 3.47Å; R69-V85 HydrophobicContact CG-CG1 4.44Å; I72-V85 HydrophobicContact CB-CG1 4.13Å; I72-V85 HydrophobicContact CG2-CG1 3.75Å; I72-V85 HydrophobicContact CG2-CG2 4.41Å; K73-V85 HydrophobicContact CB-CG2 4.08Å; V82-V85 HydrophobicContact CG1-CG2 3.59Å; V85-L87 HydrophobicContact CG1-CD2 4.28Å; V85-L87 HydrophobicContact CG1-CG 4.37Å
86	E	89.4	Confident	81.3	Confident	49 Å²	49	61 Å²	61	23%	0.229	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.9	172.8	-165.7	-173.5	-166.1	0	0	109.7	R52 R88 G116 Y117	R52-E86 IonicContact CZ-OE2 2.77Å; R52-E86 IonicContact NE-OE2 3.7Å; R52-E86 PolarHBondContact NE-OE2 2.87Å; R52-E86 VanDerWaalsContact NE-OE2 3.1Å; E86-R88 VanDerWaalsContact CD-NE 3.28Å; E86-R88 VanDerWaalsContact CD-NH2 3.33Å; E86-R88 HydrophobicContact CG-CG 4.41Å; E86-R88 IonicContact OE1-CZ 2.64Å; E86-R88 IonicContact OE1-NE 2.75Å; E86-R88 PolarHBondContact OE1-NE 3.47Å; E86-R88 IonicContact OE1-NH2 2.77Å; E86-R88 PolarHBondContact OE1-NH2 3.31Å; E86-R88 IonicContact OE2-CZ 3.1Å; E86-R88 IonicContact OE2-NE 3.16Å; E86-R88 IonicContact OE2-NH2 2.79Å; E86-R88 PolarHBondContact OE2-NH2 3.06Å; E86-R88 VanDerWaalsContact OE2-NH2 3.16Å; E86-G116 CarbonylContact O-C 3.58Å; E86-G116 VanDerWaalsContact O-CA 3.3Å; E86-G116 WeakPolarHBondContact O-CA 3.49Å; E86-Y117 HydrophobicContact CB-CD2 4.2Å; E86-Y117 HydrophobicContact CG-CD2 4.21Å; E86-Y117 PolarHBondContact N-O 3.23Å; E86-Y117 PolarHBondContact O-N 3.46Å; E86-Y117 WeakPolarHBondContact OE2-CD2 3.48Å
87	L	89.4	Confident	79.7	Confident	28 Å²	28	65.8 Å²	65.8	15%	0.147	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.2	175.9	-59.2	174.7	0	0	0	109.3	I63 R69 I72 V85 V115	I63-L87 HydrophobicContact CD1-CD2 3.66Å; I63-L87 HydrophobicContact CG2-CD2 4.45Å; R69-L87 HydrophobicContact CG-CD1 3.64Å; R69-L87 HydrophobicContact CG-CG 4.01Å; I72-L87 HydrophobicContact CD1-CD1 3.86Å; I72-L87 HydrophobicContact CD1-CD2 3.58Å; I72-L87 HydrophobicContact CD1-CG 4.31Å; V85-L87 HydrophobicContact CG1-CD2 4.28Å; V85-L87 HydrophobicContact CG1-CG 4.37Å; L87-V115 WeakPolarHBondContact CA-O 3.39Å
88	R	85.7	Confident	78.3	Confident	19 Å²	19	65 Å²	65	7%	0.072	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.7	179.5	-53.7	-164.2	-163.9	162.3	1.4	111.7	E86 G92 S93 K114 V115 Y117	E86-R88 VanDerWaalsContact CD-NE 3.28Å; E86-R88 VanDerWaalsContact CD-NH2 3.33Å; E86-R88 HydrophobicContact CG-CG 4.41Å; E86-R88 IonicContact OE1-CZ 2.64Å; E86-R88 IonicContact OE1-NE 2.75Å; E86-R88 PolarHBondContact OE1-NE 3.47Å; E86-R88 IonicContact OE1-NH2 2.77Å; E86-R88 PolarHBondContact OE1-NH2 3.31Å; E86-R88 IonicContact OE2-CZ 3.1Å; E86-R88 IonicContact OE2-NE 3.16Å; E86-R88 IonicContact OE2-NH2 2.79Å; E86-R88 PolarHBondContact OE2-NH2 3.06Å; E86-R88 VanDerWaalsContact OE2-NH2 3.16Å; R88-G92 PolarHBondContact NH1-O 2.97Å; R88-S93 PolarHBondContact NH1-O 3.5Å; R88-K114 WeakPolarHBondContact O-CA 3.19Å; R88-K114 VanDerWaalsContact O-CB 3.32Å; R88-K114 WeakPolarHBondContact O-CB 3.33Å; R88-V115 PolarHBondContact N-O 3Å; R88-V115 PolarHBondContact O-N 2.86Å; R88-Y117 HydrophobicContact CG-CD2 4.45Å; R88-Y117 HydrophobicContact CG-CE2 4.2Å
89	D	84.9	Confident	77	Confident	76 Å²	76	65.1 Å²	65.1	41%	0.406	41%	0.405	S	S	.	.	S	Bend	trans	-83.7	-22.2	-179.7	-63.3	-1.2	0	0	0	112.3	K114	D89-K114 IonicContact OD1-NZ 2.75Å; D89-K114 PolarHBondContact OD1-NZ 2.96Å; D89-K114 IonicContact OD2-NZ 3.56Å
90	V	82.8	Confident	75.7	Confident	105 Å²	105	73.7 Å²	73.7	64%	0.636	44%	0.442	S	S	*	.	S	Bend	trans	-138.7	142	-176.2	-176.3	0	0	0	0	109.1
91	P	79.4	Confident	74.5	Confident	75 Å²	75	77.1 Å²	77.1	49%	0.487	45%	0.454	S	S	.	.			trans	-72.9	138.4	172.3	30.4	-34	0	0	0	112	F59 V115 Y117	F59-P91 HydrophobicContact CE2-CB 4.29Å; F59-P91 HydrophobicContact CZ-CB 4.16Å; P91-V115 HydrophobicContact CB-CG1 4.36Å; P91-Y117 WeakPolarHBondContact CA-OH 3.4Å
92	G	71.1	Confident	73.3	Confident	35 Å²	35	75.7 Å²	75.7	36%	0.361	45%	0.448	S	S	.	.	S	Bend	trans	174.9	-178.3	174.7	0	0	0	0	0	112.2	R52 R88 Y117	R52-G92 PolarHBondContact NH1-O 3.4Å; R88-G92 PolarHBondContact NH1-O 2.97Å; G92-Y117 PolarHBondContact N-OH 2.76Å; G92-Y117 PolarHBondContact O-OH 3.29Å; G92-Y117 VanDerWaalsContact O-OH 3.07Å
93	S	62.5	Low	72.1	Confident	67 Å²	67	84.7 Å²	84.7	47%	0.469	49%	0.487	S	S	.	.	S	Bend	trans	-71	176.5	156.8	45.7	0	0	0	0	110.9	E47 R88 Q95	E47-S93 WeakPolarHBondContact OE1-CB 3.42Å; E47-S93 PolarHBondContact OE1-OG 3.48Å; E47-S93 WeakPolarHBondContact OE2-CB 3.44Å; R88-S93 PolarHBondContact NH1-O 3.5Å; S93-Q95 PolarHBondContact O-N 3.34Å; S93-Q95 VanDerWaalsContact O-N 3.1Å
94	S	59.6	Low	71.1	Confident	62 Å²	62	84.8 Å²	84.8	43%	0.434	48%	0.481	S	S	.	.			trans	-50.1	116.3	-165.2	45.8	0	0	0	0	113.4	Y51 E96	Y51-S94 PolarHBondContact OH-N 2.85Å; Y51-S94 VanDerWaalsContact OH-N 3.14Å; S94-E96 PolarHBondContact O-N 2.95Å; S94-E96 VanDerWaalsContact O-N 3.13Å
95	Q	54.6	Low	70.2	Confident	161 Å²	161	89.4 Å²	89.4	75%	0.752	50%	0.495	S	S	*	.			trans	-65.3	112.5	155.9	-176.2	175.5	22	0	0	106	S93 S97	S93-Q95 PolarHBondContact O-N 3.34Å; S93-Q95 VanDerWaalsContact O-N 3.1Å; Q95-S97 PolarHBondContact O-N 2.94Å
96	E	50.7	Low	69.1	Low	174 Å²	174	96 Å²	96	81%	0.813	52%	0.517	S	S	*	.			trans	-53.9	128.2	174.5	-65.6	-169.3	153.2	0	0	108.7	S94 G98	S94-E96 PolarHBondContact O-N 2.95Å; S94-E96 VanDerWaalsContact O-N 3.13Å; E96-G98 PolarHBondContact O-N 3.32Å
97	S	55.4	Low	68.1	Low	104 Å²	104	98.7 Å²	98.7	73%	0.727	54%	0.539	S	S	*	.			trans	-65	109	169.2	58.3	0	0	0	0	106.8	Q95	Q95-S97 PolarHBondContact O-N 2.94Å
98	G	60.1	Low	67.2	Low	49 Å²	49	102.2 Å²	102.2	51%	0.505	57%	0.572	S	S	.	*			trans	-51.5	167.3	171.5	0	0	0	0	0	111.8	E96 K100	E96-G98 PolarHBondContact O-N 3.32Å; G98-K100 PolarHBondContact O-N 3.24Å
99	P	60.3	Low	66.6	Low	115 Å²	115	105.1 Å²	105.1	75%	0.747	60%	0.6	S	S	*	*	S	Bend	trans	-44.4	127.9	-171.4	19	-33.4	0	0	0	110.6	L101	P99-L101 VanDerWaalsContact C-N 3.25Å; P99-L101 WeakPolarHBondContact O-CG 3.38Å; P99-L101 PolarHBondContact O-N 3.49Å
100	K	62.4	Low	66	Low	201 Å²	201	109.4 Å²	109.4	87%	0.874	62%	0.615	S	S	*	*			trans	-61.8	79.9	-163.9	-69.2	173.6	-178.3	168.7	0	111.9	G98	G98-K100 PolarHBondContact O-N 3.24Å
101	L	62.9	Low	65.7	Low	96 Å²	96	109.8 Å²	109.8	50%	0.503	61%	0.61	S	S	.	*			trans	-55.7	142.7	-178.5	-62	-176.1	0	0	0	109.8	P99 R106 P107	P99-L101 VanDerWaalsContact C-N 3.25Å; P99-L101 WeakPolarHBondContact O-CG 3.38Å; P99-L101 PolarHBondContact O-N 3.49Å; L101-R106 PolarHBondContact O-NH2 3.36Å; L101-P107 HydrophobicContact CD1-CG 4.46Å
102	S	66.6	Low	66	Low	54 Å²	54	107.6 Å²	107.6	38%	0.378	60%	0.601	S	S	.	*			trans	-53.6	158.7	-177.3	79.2	0	0	0	0	110.8	I104 F105 R106	S102-I104 PolarHBondContact O-N 2.91Å; S102-I104 VanDerWaalsContact O-N 3.09Å; S102-I104 PolarHBondContact OG-N 2.88Å; S102-F105 WeakPolarHBondContact OG-CD2 3.48Å; S102-F105 PolarHBondContact OG-N 2.96Å; S102-R106 WeakPolarHBondContact O-CG 3.39Å; S102-R106 PolarHBondContact O-NE 2.82Å
103	K	67.1	Low	66.9	Low	190 Å²	190	111.4 Å²	111.4	83%	0.826	61%	0.608	S	S	*	*	S	Bend	trans	-61.2	-20.6	178.4	-66.2	171.2	-174.8	166.7	0	112.2
104	I	68.6	Low	68.2	Low	47 Å²	47	110.4 Å²	110.4	24%	0.241	60%	0.595	C	S	.	*	S	Bend	trans	-91.6	-57.6	-173.8	-64.5	156.3	0	0	0	111.1	S102 R106 I163 L168 T171	S102-I104 PolarHBondContact O-N 2.91Å; S102-I104 VanDerWaalsContact O-N 3.09Å; S102-I104 PolarHBondContact OG-N 2.88Å; I104-R106 VanDerWaalsContact C-N 3.34Å; I104-R106 PolarHBondContact O-N 3Å; I104-I163 HydrophobicContact CB-CD1 4.39Å; I104-I163 HydrophobicContact CG1-CD1 4.14Å; I104-I163 HydrophobicContact CG2-CD1 3.7Å; I104-L168 HydrophobicContact CD1-CD1 3.71Å; I104-L168 HydrophobicContact CG2-CD1 4.37Å; I104-T171 HydrophobicContact CD1-CG2 3.85Å
105	F	69.7	Low	69.7	Low	149 Å²	149	108 Å²	108	65%	0.654	58%	0.578	S	S	*	*	S	Bend	trans	-87.9	71.1	-173.5	-59.3	-60.4	0	0	0	111.5	S102	S102-F105 WeakPolarHBondContact OG-CD2 3.48Å; S102-F105 PolarHBondContact OG-N 2.96Å
106	R	68.1	Low	71.5	Confident	161 Å²	161	100.4 Å²	100.4	61%	0.608	54%	0.542	S	S	*	.			trans	-111.2	127	179.4	-64.3	-172.5	168.3	-171.5	-8	111.1	L101 S102 I104	L101-R106 PolarHBondContact O-NH2 3.36Å; S102-R106 WeakPolarHBondContact O-CG 3.39Å; S102-R106 PolarHBondContact O-NE 2.82Å; I104-R106 VanDerWaalsContact C-N 3.34Å; I104-R106 PolarHBondContact O-N 3Å
107	P	69.2	Low	73.4	Confident	105 Å²	105	92.5 Å²	92.5	68%	0.682	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-53.7	144.1	167	-25.3	34.7	0	0	0	111.1	L101 A109	L101-P107 HydrophobicContact CD1-CG 4.46Å; P107-A109 PolarHBondContact O-N 3.03Å; P107-A109 VanDerWaalsContact O-N 3.09Å
108	A	70.1	Confident	75.1	Confident	101 Å²	101	87.5 Å²	87.5	84%	0.835	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-59.2	116.1	177.7	0	0	0	0	0	110.3	K110	A108-K110 PolarHBondContact O-N 2.99Å
109	A	72.9	Confident	76.6	Confident	81 Å²	81	85.4 Å²	85.4	67%	0.669	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-63.4	132.3	-178.4	0	0	0	0	0	110.8	P107 Q111	P107-A109 PolarHBondContact O-N 3.03Å; P107-A109 VanDerWaalsContact O-N 3.09Å; A109-Q111 PolarHBondContact O-N 3.02Å
110	K	73.1	Confident	78.2	Confident	165 Å²	165	80 Å²	80	72%	0.717	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-56.3	121.8	-179.2	-65.3	-175	179.5	-177	0	110.5	A108 K114	A108-K110 PolarHBondContact O-N 2.99Å; K110-K114 PolarHBondContact O-NZ 3.03Å
111	Q	76.6	Confident	79.5	Confident	114 Å²	114	75.4 Å²	75.4	53%	0.533	39%	0.394	S	S	.	.			trans	-90.5	107.2	174.3	-59.5	-163.8	43.9	0	0	108.4	A109 K153	A109-Q111 PolarHBondContact O-N 3.02Å; Q111-K153 VanDerWaalsContact OE1-NZ 3.13Å
112	G	84.4	Confident	80.9	Confident	28 Å²	28	73.8 Å²	73.8	29%	0.289	39%	0.39	S	S	.	.	S	Bend	trans	-166.9	177.6	-179.2	0	0	0	0	0	109.9
113	F	89.5	Confident	82	Confident	116 Å²	116	74.9 Å²	74.9	51%	0.509	40%	0.398	S	S	.	.			trans	-67.2	145.8	175.4	-67.2	-87.6	0	0	0	110.9	H35 N62 I63 P64	H35-F113 AromaticContact CE1-CE1 3.44Å; H35-F113 VanDerWaalsContact CE1-CE1 3.44Å; H35-F113 WeakPolarHBondContact CE1-CE1 3.48Å; N62-F113 WeakPolarHBondContact OD1-CD1 3.5Å; I63-F113 CarbonylContact O-C 3.57Å; I63-F113 VanDerWaalsContact O-CA 3.26Å; I63-F113 WeakPolarHBondContact O-CA 3.32Å; P64-F113 HydrophobicContact CB-CD1 4.46Å; P64-F113 HydrophobicContact CB-CE1 4.06Å; P64-F113 HydrophobicContact CG-CE1 4.18Å
114	K	91.1	Very high	83	Confident	46 Å²	46	69.6 Å²	69.6	20%	0.2	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	163.3	-171.7	-62.8	-171.8	-166.4	-89.8	0	112.5	I63 R88 D89 K110	I63-K114 HydrophobicContact CB-CB 4.48Å; I63-K114 VanDerWaalsContact CB-O 3.32Å; I63-K114 WeakPolarHBondContact CB-O 3.49Å; I63-K114 PolarHBondContact N-O 2.7Å; I63-K114 PolarHBondContact O-N 2.83Å; R88-K114 WeakPolarHBondContact O-CA 3.19Å; R88-K114 VanDerWaalsContact O-CB 3.32Å; R88-K114 WeakPolarHBondContact O-CB 3.33Å; D89-K114 IonicContact OD1-NZ 2.75Å; D89-K114 PolarHBondContact OD1-NZ 2.96Å; D89-K114 IonicContact OD2-NZ 3.56Å; K110-K114 PolarHBondContact O-NZ 3.03Å
115	V	91.4	Very high	84	Confident	12 Å²	12	67.6 Å²	67.6	7%	0.073	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.3	173.6	179.5	0	0	0	0	108.9	F59 V60 L61 L87 R88 P91 Y117	F59-V115 HydrophobicContact CD2-CG1 4.13Å; F59-V115 HydrophobicContact CE2-CG1 3.36Å; F59-V115 HydrophobicContact CZ-CG1 3.78Å; V60-V115 CarbonylContact O-C 3.57Å; V60-V115 WeakPolarHBondContact O-CA 3.4Å; L61-V115 HydrophobicContact CD2-CG1 4.12Å; L61-V115 HydrophobicContact CD2-CG2 3.77Å; L87-V115 WeakPolarHBondContact CA-O 3.39Å; R88-V115 PolarHBondContact N-O 3Å; R88-V115 PolarHBondContact O-N 2.86Å; P91-V115 HydrophobicContact CB-CG1 4.36Å; V115-Y117 HydrophobicContact CG1-CE2 4.34Å
116	G	91.1	Very high	84.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	148.4	-178.7	0	0	0	0	0	113.9	R52 V60 E86	R52-G116 PolarHBondContact NH2-O 2.81Å; R52-G116 VanDerWaalsContact NH2-O 3.08Å; V60-G116 PolarHBondContact N-O 3.32Å; V60-G116 PolarHBondContact O-N 2.96Å; E86-G116 CarbonylContact O-C 3.58Å; E86-G116 VanDerWaalsContact O-CA 3.3Å; E86-G116 WeakPolarHBondContact O-CA 3.49Å
117	Y	91.1	Very high	85.9	Confident	8 Å²	8	55.7 Å²	55.7	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116	154.6	-54.9	-88.9	0	0	0	107.3	H42 R52 T57 F59 E86 R88 P91 G92 V115	H42-Y117 AromaticContact CE1-CD1 3.93Å; H42-Y117 AromaticContact CE1-CE1 3.34Å; H42-Y117 WeakPolarHBondContact CE1-CE1 3.39Å; H42-Y117 AromaticContact CG-CD1 3.92Å; H42-Y117 AromaticContact ND1-CD1 3.8Å; H42-Y117 AromaticContact ND1-CE1 3.43Å; H42-Y117 WeakPolarHBondContact ND1-CE1 3.45Å; R52-Y117 HydrophobicContact CG-CD1 3.87Å; R52-Y117 HydrophobicContact CG-CG 3.96Å; R52-Y117 VanDerWaalsContact NE-CE1 3.27Å; R52-Y117 PolarHBondContact NH1-OH 3.17Å; R52-Y117 PolarHBondContact NH2-OH 3.46Å; T57-Y117 HydrophobicContact CG2-CD1 4.01Å; F59-Y117 HydrophobicContact CD2-CD1 4.11Å; F59-Y117 AromaticContact CD2-CE1 3.45Å; F59-Y117 HydrophobicContact CD2-CE1 3.45Å; F59-Y117 VanDerWaalsContact CD2-CE1 3.45Å; F59-Y117 AromaticContact CE2-CE1 3.78Å; F59-Y117 HydrophobicContact CE2-CE1 3.78Å; F59-Y117 AromaticContact CE2-CZ 3.79Å; E86-Y117 HydrophobicContact CB-CD2 4.2Å; E86-Y117 HydrophobicContact CG-CD2 4.21Å; E86-Y117 PolarHBondContact N-O 3.23Å; E86-Y117 PolarHBondContact O-N 3.46Å; E86-Y117 WeakPolarHBondContact OE2-CD2 3.48Å; R88-Y117 HydrophobicContact CG-CD2 4.45Å; R88-Y117 HydrophobicContact CG-CE2 4.2Å; P91-Y117 WeakPolarHBondContact CA-OH 3.4Å; G92-Y117 PolarHBondContact N-OH 2.76Å; G92-Y117 PolarHBondContact O-OH 3.29Å; G92-Y117 VanDerWaalsContact O-OH 3.07Å; V115-Y117 HydrophobicContact CG1-CE2 4.34Å
118	I	91.8	Very high	86.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.7	176.4	-55.4	179.8	0	0	0	106.1	T57 L58 V60 I72 F76 V82 F120	T57-I118 WeakPolarHBondContact CA-O 3.39Å; L58-I118 HydrophobicContact CB-CB 4.29Å; L58-I118 PolarHBondContact N-O 2.86Å; L58-I118 PolarHBondContact O-N 3.27Å; V60-I118 HydrophobicContact CG2-CD1 3.91Å; V60-I118 HydrophobicContact CG2-CG1 4.38Å; I72-I118 HydrophobicContact CG2-CD1 3.54Å; I72-I118 HydrophobicContact CG2-CG1 4.13Å; F76-I118 HydrophobicContact CB-CD1 4.28Å; F76-I118 HydrophobicContact CB-CG2 4.32Å; F76-I118 HydrophobicContact CD1-CD1 3.8Å; F76-I118 HydrophobicContact CD2-CD1 3.41Å; F76-I118 VanDerWaalsContact CD2-CD1 3.41Å; F76-I118 HydrophobicContact CE1-CD1 3.93Å; F76-I118 HydrophobicContact CE2-CD1 3.54Å; F76-I118 HydrophobicContact CG-CD1 3.54Å; F76-I118 HydrophobicContact CZ-CD1 3.81Å; V82-I118 HydrophobicContact CG1-CG2 3.78Å; V82-I118 HydrophobicContact CG2-CG2 4.13Å; I118-F120 HydrophobicContact CB-CE2 4.49Å; I118-F120 HydrophobicContact CG2-CD2 4.35Å; I118-F120 HydrophobicContact CG2-CE2 3.86Å; I118-F120 HydrophobicContact CG2-CZ 4Å
119	V	91.6	Very high	87.7	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.3	179.2	-172.5	0	0	0	0	107.6	P53 R56 T57 A83 S84	P53-V119 HydrophobicContact CG-CG1 3.65Å; R56-V119 HydrophobicContact CG-CG1 4.13Å; T57-V119 HydrophobicContact CG2-CG2 4.29Å; A83-V119 WeakPolarHBondContact CA-O 3.39Å; A83-V119 WeakPolarHBondContact CB-O 3.28Å; A83-V119 PolarHBondContact N-O 2.94Å; S84-V119 PolarHBondContact N-O 3.16Å; S84-V119 VanDerWaalsContact N-O 3.17Å; S84-V119 PolarHBondContact O-N 2.93Å; S84-V119 WeakPolarHBondContact OG-CB 3.44Å; S84-V119 WeakPolarHBondContact OG-CG2 3.49Å
120	F	92.4	Very high	88.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	162.2	172.7	-69.5	-84.8	0	0	0	111	R56 L58 F76 F79 V81 V82 I118 S122 S125 V126	R56-F120 VanDerWaalsContact CD-O 3.23Å; R56-F120 WeakPolarHBondContact CD-O 3.46Å; R56-F120 WeakPolarHBondContact CG-O 3.2Å; R56-F120 PolarHBondContact NH1-O 3.01Å; R56-F120 PolarHBondContact O-N 3.11Å; L58-F120 HydrophobicContact CB-CD2 4.43Å; L58-F120 HydrophobicContact CB-CE2 3.92Å; L58-F120 HydrophobicContact CD2-CE2 4.03Å; F76-F120 HydrophobicContact CB-CE1 4.41Å; F76-F120 HydrophobicContact CB-CZ 4.08Å; F76-F120 HydrophobicContact CD1-CZ 4.15Å; F79-F120 HydrophobicContact CB-CE1 4.19Å; F79-F120 HydrophobicContact CB-CZ 4.28Å; V81-F120 WeakPolarHBondContact O-CA 3.24Å; V82-F120 HydrophobicContact CG2-CD1 3.88Å; V82-F120 HydrophobicContact CG2-CE1 3.59Å; V82-F120 HydrophobicContact CG2-CZ 4.33Å; I118-F120 HydrophobicContact CB-CE2 4.49Å; I118-F120 HydrophobicContact CG2-CD2 4.35Å; I118-F120 HydrophobicContact CG2-CE2 3.86Å; I118-F120 HydrophobicContact CG2-CZ 4Å; F120-S122 WeakPolarHBondContact CB-O 3.33Å; F120-S125 VanDerWaalsContact CG-CB 3.45Å; F120-V126 HydrophobicContact CD2-CG2 3.88Å; F120-V126 HydrophobicContact CE2-CG2 4.5Å
121	E	91.5	Very high	89	Confident	106 Å²	106	42.7 Å²	42.7	50%	0.495	25%	0.254	S	S	.	.	S	Bend	trans	-71.2	-45.3	168.5	-69	-179.7	-175.6	0	0	110.4	R56 V81 A83	R56-E121 PolarHBondContact NH1-O 3.37Å; V81-E121 HydrophobicContact CB-CB 4.34Å; V81-E121 HydrophobicContact CB-CG 4.18Å; V81-E121 WeakPolarHBondContact CB-OE2 3.48Å; V81-E121 HydrophobicContact CG1-CG 4.17Å; V81-E121 WeakPolarHBondContact CG1-OE1 3.29Å; V81-E121 WeakPolarHBondContact CG1-OE2 3.23Å; V81-E121 PolarHBondContact O-N 2.7Å; A83-E121 HydrophobicContact CB-CG 3.95Å
122	S	91.1	Very high	89.5	Confident	61 Å²	61	38.3 Å²	38.3	43%	0.427	23%	0.233	S	C	.	.	S	Bend	trans	-104.3	144.2	-178.9	-55.2	0	0	0	0	113.2	F120 S124 S125	F120-S122 WeakPolarHBondContact CB-O 3.33Å; S122-S124 VanDerWaalsContact C-N 3.34Å; S122-S124 WeakPolarHBondContact CB-OG 3.44Å; S122-S125 PolarHBondContact O-N 3.12Å
123	S	89	Confident	89.4	Confident	77 Å²	77	37.9 Å²	37.9	54%	0.538	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-29.5	173.3	52.6	0	0	0	0	113.2	D55 S125 V126	D55-S123 WeakPolarHBondContact O-CA 3.41Å; D55-S123 WeakPolarHBondContact O-CB 3.38Å; S123-S125 PolarHBondContact O-N 3.46Å; S123-V126 WeakPolarHBondContact O-CB 3.38Å; S123-V126 PolarHBondContact O-N 3.1Å
124	S	89.8	Confident	88.9	Confident	79 Å²	79	35.7 Å²	35.7	55%	0.552	22%	0.216	S	C	*	.	H	α-helix	trans	-56.5	-33.5	175	50.3	0	0	0	0	113.1	S122 V126 A127 A128	S122-S124 VanDerWaalsContact C-N 3.34Å; S122-S124 WeakPolarHBondContact CB-OG 3.44Å; S124-V126 VanDerWaalsContact C-N 3.29Å; S124-V126 PolarHBondContact O-N 3.09Å; S124-A127 WeakPolarHBondContact O-CB 3.17Å; S124-A127 PolarHBondContact O-N 3.32Å; S124-A127 VanDerWaalsContact O-N 3.16Å; S124-A128 PolarHBondContact O-N 3.2Å
125	S	89.7	Confident	88.2	Confident	5 Å²	5	38 Å²	38	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-30.4	176.6	-62	0	0	0	0	113.6	F79 G80 F120 S122 S123 A128 A129	F79-S125 WeakPolarHBondContact O-CA 3.28Å; F79-S125 WeakPolarHBondContact O-CB 3.33Å; F79-S125 PolarHBondContact O-OG 3.47Å; G80-S125 WeakPolarHBondContact CA-OG 3.45Å; F120-S125 VanDerWaalsContact CG-CB 3.45Å; S122-S125 PolarHBondContact O-N 3.12Å; S123-S125 PolarHBondContact O-N 3.46Å; S125-A128 PolarHBondContact O-N 3.09Å; S125-A129 VanDerWaalsContact O-CB 3.28Å; S125-A129 WeakPolarHBondContact O-CB 3.32Å; S125-A129 PolarHBondContact O-N 2.95Å
126	V	88.4	Confident	87.8	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-36.8	174.5	175.1	0	0	0	0	110.9	E41 L58 F120 S123 S124 K130	E41-V126 HydrophobicContact CG-CG1 3.6Å; L58-V126 HydrophobicContact CD1-CB 4.48Å; L58-V126 HydrophobicContact CD1-CG1 3.86Å; F120-V126 HydrophobicContact CD2-CG2 3.88Å; F120-V126 HydrophobicContact CE2-CG2 4.5Å; S123-V126 WeakPolarHBondContact O-CB 3.38Å; S123-V126 PolarHBondContact O-N 3.1Å; S124-V126 VanDerWaalsContact C-N 3.29Å; S124-V126 PolarHBondContact O-N 3.09Å; V126-K130 WeakPolarHBondContact O-CG 3.49Å; V126-K130 PolarHBondContact O-N 3.37Å
127	A	88.6	Confident	87.5	Confident	54 Å²	54	42.9 Å²	42.9	45%	0.446	26%	0.256	S	S	.	.	H	α-helix	trans	-69.4	-46.6	172.5	0	0	0	0	0	111.4	S124 A129 K130 S131	S124-A127 WeakPolarHBondContact O-CB 3.17Å; S124-A127 PolarHBondContact O-N 3.32Å; S124-A127 VanDerWaalsContact O-N 3.16Å; A127-A129 PolarHBondContact O-N 2.96Å; A127-K130 CarbonylContact O-C 3.52Å; A127-K130 WeakPolarHBondContact O-CA 3.26Å; A127-K130 WeakPolarHBondContact O-CB 3.21Å; A127-K130 PolarHBondContact O-N 3.29Å; A127-S131 PolarHBondContact O-N 3.46Å; A127-S131 PolarHBondContact O-OG 2.89Å
128	A	88.5	Confident	87.2	Confident	36 Å²	36	42.6 Å²	42.6	30%	0.298	26%	0.255	S	S	.	.	H	α-helix	trans	-57.8	-46.4	178.5	0	0	0	0	0	112.5	F79 S124 S125 K130 S131 H132	F79-A128 HydrophobicContact CB-CB 4.49Å; F79-A128 HydrophobicContact CD1-CB 4.42Å; S124-A128 PolarHBondContact O-N 3.2Å; S125-A128 PolarHBondContact O-N 3.09Å; A128-K130 PolarHBondContact O-N 2.86Å; A128-S131 WeakPolarHBondContact CA-OG 3.43Å; A128-S131 PolarHBondContact O-N 3.23Å; A128-S131 PolarHBondContact O-OG 3.36Å; A128-S131 VanDerWaalsContact O-OG 3.06Å; A128-H132 PolarHBondContact O-N 2.95Å
129	A	87.5	Confident	86.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-20.7	176	0	0	0	0	0	113.6	L58 F79 S125 A127	L58-A129 HydrophobicContact CD1-CB 4.39Å; L58-A129 HydrophobicContact CD2-CB 3.8Å; F79-A129 HydrophobicContact CB-CB 4.11Å; F79-A129 HydrophobicContact CD1-CB 4.21Å; F79-A129 HydrophobicContact CD2-CB 3.8Å; F79-A129 HydrophobicContact CE2-CB 4.26Å; F79-A129 HydrophobicContact CG-CB 3.77Å; S125-A129 VanDerWaalsContact O-CB 3.28Å; S125-A129 WeakPolarHBondContact O-CB 3.32Å; S125-A129 PolarHBondContact O-N 2.95Å; A127-A129 PolarHBondContact O-N 2.96Å
130	K	87.4	Confident	86.6	Confident	63 Å²	63	45 Å²	45	27%	0.274	27%	0.27	S	S	.	.	H	α-helix	trans	-88.8	-28.6	172.6	-81.5	177.4	51	-177.3	0	113.7	A13 A21 V39 E41 V126 A127 A128	A13-K130 WeakPolarHBondContact CB-O 3.48Å; A21-K130 HydrophobicContact CB-CB 4.48Å; A21-K130 HydrophobicContact CB-CG 4.41Å; V39-K130 HydrophobicContact CG1-CG 4.38Å; E41-K130 VanDerWaalsContact CD-NZ 3.34Å; E41-K130 HydrophobicContact CG-CD 3.97Å; E41-K130 WeakPolarHBondContact OE1-CD 3.42Å; E41-K130 IonicContact OE1-NZ 3.45Å; E41-K130 PolarHBondContact OE1-NZ 3.41Å; E41-K130 IonicContact OE2-NZ 2.62Å; V126-K130 WeakPolarHBondContact O-CG 3.49Å; V126-K130 PolarHBondContact O-N 3.37Å; A127-K130 CarbonylContact O-C 3.52Å; A127-K130 WeakPolarHBondContact O-CA 3.26Å; A127-K130 WeakPolarHBondContact O-CB 3.21Å; A127-K130 PolarHBondContact O-N 3.29Å; A128-K130 PolarHBondContact O-N 2.86Å
131	S	87	Confident	86.1	Confident	80 Å²	80	46 Å²	46	56%	0.559	28%	0.276	S	S	*	.	H	α-helix	trans	-85.8	-6.7	179.9	55.8	0	0	0	0	114	A127 A128	A127-S131 PolarHBondContact O-N 3.46Å; A127-S131 PolarHBondContact O-OG 2.89Å; A128-S131 WeakPolarHBondContact CA-OG 3.43Å; A128-S131 PolarHBondContact O-N 3.23Å; A128-S131 PolarHBondContact O-OG 3.36Å; A128-S131 VanDerWaalsContact O-OG 3.06Å
132	H	85.9	Confident	85.7	Confident	22 Å²	22	44 Å²	44	10%	0.102	27%	0.271	C	S	.	.			trans	-56	131.8	-179.8	-171.2	76	0	0	0	112	L23 F79 A128 E136	L23-H132 HydrophobicContact CD2-CB 3.77Å; F79-H132 HydrophobicContact CE1-CB 3.74Å; F79-H132 AromaticContact CE1-CG 3.71Å; F79-H132 AromaticContact CE1-ND1 3.44Å; F79-H132 WeakPolarHBondContact CE1-ND1 3.18Å; F79-H132 HydrophobicContact CZ-CB 3.95Å; F79-H132 AromaticContact CZ-CG 3.73Å; F79-H132 AromaticContact CZ-ND1 3.72Å; A128-H132 PolarHBondContact O-N 2.95Å; H132-E136 PolarHBondContact NE2-O 2.75Å
133	P	83.1	Confident	84.9	Confident	18 Å²	18	50.3 Å²	50.3	12%	0.117	29%	0.294	C	S	.	.			trans	-71.4	141.9	-175.5	28.8	-35.1	0	0	0	112.3	K11 D135 E136	K11-P133 HydrophobicContact CB-CB 4.46Å; P133-D135 PolarHBondContact O-N 2.73Å; P133-D135 VanDerWaalsContact O-N 3.14Å; P133-E136 HydrophobicContact CG-CB 4.13Å; P133-E136 HydrophobicContact CG-CG 4Å; P133-E136 PolarHBondContact O-N 2.98Å
134	H	78.1	Confident	84.2	Confident	70 Å²	70	55.1 Å²	55.1	32%	0.324	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.4	178.8	-173.7	-88.3	0	0	0	114	Q12 C14 P24	Q12-H134 PolarHBondContact O-N 3.38Å; C14-H134 HydrophobicContact CB-CB 3.94Å; P24-H134 WeakPolarHBondContact CG-O 3.31Å
135	D	77.3	Confident	83.6	Confident	95 Å²	95	56.7 Å²	56.7	51%	0.508	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-15	179.8	-148.5	22.8	0	0	0	113.3	P133 P137	P133-D135 PolarHBondContact O-N 2.73Å; P133-D135 VanDerWaalsContact O-N 3.14Å; D135-P137 WeakPolarHBondContact O-CD 3.32Å
136	E	82.9	Confident	83.3	Confident	84 Å²	84	60.4 Å²	60.4	39%	0.393	33%	0.329	S	S	.	.	S	Bend	trans	-106.2	92.8	-178.7	-65.1	173	-162.6	0	0	109.5	K11 H132 P133	K11-E136 IonicContact NZ-OE1 3.76Å; K11-E136 PolarHBondContact NZ-OE1 3.44Å; H132-E136 PolarHBondContact NE2-O 2.75Å; P133-E136 HydrophobicContact CG-CB 4.13Å; P133-E136 HydrophobicContact CG-CG 4Å; P133-E136 PolarHBondContact O-N 2.98Å
137	P	84	Confident	83.1	Confident	30 Å²	30	60.9 Å²	60.9	20%	0.195	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-71.9	143.5	-176.3	28.2	-35	0	0	0	113.1	P24 Q26 D135 V139	P24-P137 HydrophobicContact CB-CB 4.17Å; Q26-P137 HydrophobicContact CB-CB 4.43Å; Q26-P137 HydrophobicContact CG-CB 3.93Å; Q26-P137 HydrophobicContact CG-CG 4.23Å; D135-P137 WeakPolarHBondContact O-CD 3.32Å; P137-V139 PolarHBondContact O-N 2.92Å
138	L	84.8	Confident	82.8	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.4	172.7	-61.6	-178	0	0	0	110.4	L23 P24 L25 Q26 L75 F79	L23-L138 HydrophobicContact CB-CD1 4.11Å; L23-L138 HydrophobicContact CD1-CD1 4.06Å; P24-L138 WeakPolarHBondContact O-CB 3.37Å; P24-L138 PolarHBondContact O-N 3.34Å; L25-L138 CarbonylContact C-O 3.54Å; L25-L138 WeakPolarHBondContact CA-O 3.37Å; L25-L138 HydrophobicContact CD1-CB 3.75Å; Q26-L138 PolarHBondContact N-O 3.17Å; L75-L138 HydrophobicContact CD2-CB 4.18Å; F79-L138 HydrophobicContact CE2-CD2 4.26Å; F79-L138 HydrophobicContact CZ-CD2 4.1Å
139	V	86.9	Confident	82.6	Confident	48 Å²	48	63.9 Å²	63.9	29%	0.291	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117.2	-177.2	-178.4	0	0	0	0	111.2	L75 P137 T142	L75-V139 WeakPolarHBondContact CD2-O 3.45Å; P137-V139 PolarHBondContact O-N 2.92Å; V139-T142 HydrophobicContact CG1-CG2 4.35Å
140	V	84.6	Confident	82.6	Confident	9 Å²	9	65.9 Å²	65.9	6%	0.055	35%	0.353	C	S	.	.	S	Bend	trans	-76.3	-42.3	-172.5	173.4	0	0	0	0	113.4	L25 Q26 F27 Y66 V71 L75 V147	L25-V140 HydrophobicContact CD1-CG2 3.41Å; L25-V140 VanDerWaalsContact CD1-CG2 3.41Å; L25-V140 HydrophobicContact CD2-CG2 3.87Å; L25-V140 HydrophobicContact CG-CG2 3.51Å; Q26-V140 WeakPolarHBondContact O-CG2 3.38Å; Q26-V140 PolarHBondContact O-N 3.47Å; F27-V140 HydrophobicContact CD2-CG1 4.32Å; Y66-V140 HydrophobicContact CD2-CG1 4Å; Y66-V140 HydrophobicContact CE2-CG1 3.99Å; Y66-V140 HydrophobicContact CE2-CG2 4.16Å; V71-V140 HydrophobicContact CG1-CG1 3.95Å; L75-V140 HydrophobicContact CD1-CG2 4.21Å; V140-V147 HydrophobicContact CG1-CB 4.23Å; V140-V147 HydrophobicContact CG1-CG1 4.3Å; V140-V147 HydrophobicContact CG1-CG2 3.93Å; V140-V147 VanDerWaalsContact O-CG2 3.25Å; V140-V147 WeakPolarHBondContact O-CG2 3.45Å
141	S	82.2	Confident	82.6	Confident	19 Å²	19	67.6 Å²	67.6	13%	0.133	37%	0.368	C	S	.	.			trans	-117.8	105.9	-175.6	-171.1	0	0	0	0	109.3	F27 P146 V147	F27-S141 WeakPolarHBondContact O-CA 3.45Å; F27-S141 WeakPolarHBondContact O-CB 3.37Å; F27-S141 PolarHBondContact O-N 2.86Å; S141-P146 WeakPolarHBondContact OG-CA 3.48Å; S141-V147 PolarHBondContact OG-N 3.14Å
142	T	82.3	Confident	82.7	Confident	64 Å²	64	69.6 Å²	69.6	39%	0.393	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-99.8	159.5	171.8	56.9	0	0	0	0	110	V139 Q144 K145	V139-T142 HydrophobicContact CG1-CG2 4.35Å; T142-Q144 PolarHBondContact O-N 3.43Å; T142-K145 CarbonylContact O-C 3.56Å; T142-K145 PolarHBondContact O-N 3.5Å
143	E	75.1	Confident	82.8	Confident	194 Å²	194	71.3 Å²	71.3	91%	0.907	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.8	178.8	-59.8	178.2	163.5	0	0	112.5	K145	E143-K145 VanDerWaalsContact C-N 3.32Å; E143-K145 PolarHBondContact O-N 3.17Å
144	Q	75.2	Confident	83.1	Confident	178 Å²	178	77.9 Å²	77.9	83%	0.832	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.6	176.2	-64.5	-70.9	-21.2	0	0	113.3	T142	T142-Q144 PolarHBondContact O-N 3.43Å
145	K	77.1	Confident	83.7	Confident	112 Å²	112	79.3 Å²	79.3	49%	0.487	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-143.4	70.6	-175	-69	-174.9	175.5	179.2	0	111.4	D74 T142 E143 V147	D74-K145 IonicContact OD1-NZ 2.7Å; D74-K145 PolarHBondContact OD1-NZ 3.24Å; D74-K145 WeakPolarHBondContact OD2-CD 3.24Å; D74-K145 IonicContact OD2-NZ 3.15Å; D74-K145 PolarHBondContact OD2-NZ 2.93Å; T142-K145 CarbonylContact O-C 3.56Å; T142-K145 PolarHBondContact O-N 3.5Å; E143-K145 VanDerWaalsContact C-N 3.32Å; E143-K145 PolarHBondContact O-N 3.17Å; K145-V147 PolarHBondContact O-N 2.91Å
146	P	83.1	Confident	84.2	Confident	83 Å²	83	78 Å²	78	54%	0.539	40%	0.399	S	S	.	.			trans	-69	122	-176.5	25.8	-33.9	0	0	0	112.2	S141 K148	S141-P146 WeakPolarHBondContact OG-CA 3.48Å; P146-K148 PolarHBondContact O-N 2.93Å
147	V	83.8	Confident	84.4	Confident	18 Å²	18	78.8 Å²	78.8	11%	0.109	40%	0.402	C	S	.	.			trans	-84.4	101.6	-179.9	178.1	0	0	0	0	109.8	F27 V71 V140 S141 K145 T149	F27-V147 HydrophobicContact CE2-CB 4.2Å; F27-V147 HydrophobicContact CE2-CG1 4.32Å; F27-V147 WeakPolarHBondContact CZ-O 3.34Å; V71-V147 HydrophobicContact CG1-CG2 4.15Å; V71-V147 HydrophobicContact CG2-CG2 3.64Å; V140-V147 HydrophobicContact CG1-CB 4.23Å; V140-V147 HydrophobicContact CG1-CG1 4.3Å; V140-V147 HydrophobicContact CG1-CG2 3.93Å; V140-V147 VanDerWaalsContact O-CG2 3.25Å; V140-V147 WeakPolarHBondContact O-CG2 3.45Å; S141-V147 PolarHBondContact OG-N 3.14Å; K145-V147 PolarHBondContact O-N 2.91Å; V147-T149 PolarHBondContact O-N 3.33Å
148	K	82.5	Confident	84.6	Confident	101 Å²	101	84.8 Å²	84.8	44%	0.439	42%	0.422	S	S	.	.			trans	-67.6	118.7	-175.2	-62.3	176	175.3	176.2	0	112	P146	P146-K148 PolarHBondContact O-N 2.93Å
149	T	84.3	Confident	84.9	Confident	52 Å²	52	88.9 Å²	88.9	32%	0.319	45%	0.447	S	S	.	.			trans	-121.3	179.8	-179.6	52.6	0	0	0	0	111.4	F27 Y66 V147 Q152 K153	F27-T149 HydrophobicContact CE2-CG2 3.54Å; F27-T149 HydrophobicContact CZ-CG2 3.76Å; Y66-T149 HydrophobicContact CG-CG2 4.43Å; V147-T149 PolarHBondContact O-N 3.33Å; T149-Q152 PolarHBondContact O-N 3.2Å; T149-K153 PolarHBondContact O-N 3.44Å
150	G	86.2	Confident	84.8	Confident	42 Å²	42	94.3 Å²	94.3	43%	0.433	47%	0.467	S	S	.	.	H	α-helix	trans	51.4	-138.1	175	0	0	0	0	0	114.7	Q152 K153 W154	G150-Q152 VanDerWaalsContact C-N 3.32Å; G150-Q152 PolarHBondContact O-N 2.96Å; G150-K153 WeakPolarHBondContact O-CB 3.22Å; G150-K153 PolarHBondContact O-N 3.32Å; G150-K153 VanDerWaalsContact O-N 3.16Å; G150-W154 PolarHBondContact O-N 3.34Å; G150-W154 VanDerWaalsContact O-N 3.16Å
151	V	88.9	Confident	84.7	Confident	98 Å²	98	97.6 Å²	97.6	59%	0.594	49%	0.49	S	S	*	.	H	α-helix	trans	-58.8	-39.3	-177	-177.7	0	0	0	0	112.3	K153 W154 I155	V151-K153 VanDerWaalsContact C-N 3.31Å; V151-K153 PolarHBondContact O-N 2.85Å; V151-W154 PolarHBondContact O-N 3.22Å; V151-W154 VanDerWaalsContact O-N 3.13Å; V151-I155 HydrophobicContact CG1-CD1 3.82Å; V151-I155 HydrophobicContact CG1-CG1 4.2Å; V151-I155 WeakPolarHBondContact O-CG1 3.46Å; V151-I155 PolarHBondContact O-N 2.86Å
152	Q	88.8	Confident	84.8	Confident	123 Å²	123	101.1 Å²	101.1	58%	0.575	51%	0.507	S	S	*	.	H	α-helix	trans	-62.7	-37.3	178.6	-64.3	-173	4.3	0	0	112.6	T149 G150 Q156	T149-Q152 PolarHBondContact O-N 3.2Å; G150-Q152 VanDerWaalsContact C-N 3.32Å; G150-Q152 PolarHBondContact O-N 2.96Å; Q152-Q156 PolarHBondContact O-N 2.88Å
153	K	88.8	Confident	84.8	Confident	58 Å²	58	101.8 Å²	101.8	25%	0.252	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-45.7	173	-177.7	-174.4	174	-171.4	0	110.6	P65 Q111 T149 G150 V151 Q156 Q157	P65-K153 PolarHBondContact O-NZ 3.44Å; Q111-K153 VanDerWaalsContact OE1-NZ 3.13Å; T149-K153 PolarHBondContact O-N 3.44Å; G150-K153 WeakPolarHBondContact O-CB 3.22Å; G150-K153 PolarHBondContact O-N 3.32Å; G150-K153 VanDerWaalsContact O-N 3.16Å; V151-K153 VanDerWaalsContact C-N 3.31Å; V151-K153 PolarHBondContact O-N 2.85Å; K153-Q156 PolarHBondContact O-N 3.08Å; K153-Q157 WeakPolarHBondContact O-CB 3.44Å; K153-Q157 PolarHBondContact O-N 3.26Å
154	W	88.5	Confident	85.4	Confident	156 Å²	156	97.7 Å²	97.7	59%	0.591	49%	0.488	S	S	*	.	H	α-helix	trans	-67.4	-43	-177.9	-63.3	-18.4	0	0	0	112.9	G150 V151 Q156 Q157 Y158	G150-W154 PolarHBondContact O-N 3.34Å; G150-W154 VanDerWaalsContact O-N 3.16Å; V151-W154 PolarHBondContact O-N 3.22Å; V151-W154 VanDerWaalsContact O-N 3.13Å; W154-Q156 PolarHBondContact O-N 3.41Å; W154-Q157 PolarHBondContact O-N 2.84Å; W154-Q157 VanDerWaalsContact O-N 3.17Å; W154-Y158 WeakPolarHBondContact O-CB 3.43Å; W154-Y158 PolarHBondContact O-N 2.99Å
155	I	91.1	Very high	86	Confident	99 Å²	99	93.5 Å²	93.5	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-55.3	-52	173.1	-68.6	168.4	0	0	0	109.8	V151 Q157 Y158 T159	V151-I155 HydrophobicContact CG1-CD1 3.82Å; V151-I155 HydrophobicContact CG1-CG1 4.2Å; V151-I155 WeakPolarHBondContact O-CG1 3.46Å; V151-I155 PolarHBondContact O-N 2.86Å; I155-Q157 VanDerWaalsContact C-N 3.29Å; I155-Q157 PolarHBondContact O-N 3.24Å; I155-Y158 PolarHBondContact O-N 3.23Å; I155-T159 PolarHBondContact O-N 3.42Å; I155-T159 PolarHBondContact O-OG1 3.46Å
156	Q	88.3	Confident	86.7	Confident	69 Å²	69	92.8 Å²	92.8	32%	0.322	48%	0.477	S	S	.	.	H	α-helix	trans	-69.3	-24	-179.3	-73.9	166.4	37.1	0	0	113.6	Q152 K153 W154 K160	Q152-Q156 PolarHBondContact O-N 2.88Å; K153-Q156 PolarHBondContact O-N 3.08Å; W154-Q156 PolarHBondContact O-N 3.41Å; Q156-K160 WeakPolarHBondContact O-CB 3.3Å; Q156-K160 VanDerWaalsContact O-CD 3.27Å; Q156-K160 WeakPolarHBondContact O-CD 3.39Å; Q156-K160 WeakPolarHBondContact O-CG 3.43Å; Q156-K160 PolarHBondContact O-N 3.07Å
157	Q	86.9	Confident	86.9	Confident	100 Å²	100	94.8 Å²	94.8	47%	0.467	48%	0.478	S	S	.	.	H	α-helix	trans	-74.1	-40.9	171.7	-172.6	175	-30	0	0	110.9	K153 W154 I155 K160 S161	K153-Q157 WeakPolarHBondContact O-CB 3.44Å; K153-Q157 PolarHBondContact O-N 3.26Å; W154-Q157 PolarHBondContact O-N 2.84Å; W154-Q157 VanDerWaalsContact O-N 3.17Å; I155-Q157 VanDerWaalsContact C-N 3.29Å; I155-Q157 PolarHBondContact O-N 3.24Å; Q157-K160 PolarHBondContact O-N 2.98Å; Q157-S161 PolarHBondContact O-N 3.08Å
158	Y	88.6	Confident	87.1	Confident	156 Å²	156	96.8 Å²	96.8	61%	0.612	49%	0.487	S	S	*	.	H	α-helix	trans	-64.1	-51	175.2	177.8	-106.4	0	0	0	111.8	W154 I155 K160 S161 I162	W154-Y158 WeakPolarHBondContact O-CB 3.43Å; W154-Y158 PolarHBondContact O-N 2.99Å; I155-Y158 PolarHBondContact O-N 3.23Å; Y158-K160 PolarHBondContact O-N 3.03Å; Y158-K160 VanDerWaalsContact O-N 3.12Å; Y158-S161 WeakPolarHBondContact CA-OG 3.49Å; Y158-S161 PolarHBondContact O-N 2.98Å; Y158-S161 PolarHBondContact O-OG 3.09Å; Y158-I162 HydrophobicContact CD1-CD1 4.38Å; Y158-I162 HydrophobicContact CE1-CD1 3.91Å; Y158-I162 PolarHBondContact O-N 3.42Å
159	T	89.6	Confident	87.5	Confident	87 Å²	87	97.7 Å²	97.7	53%	0.534	49%	0.493	S	S	.	.	H	α-helix	trans	-56.7	-30.5	175.1	-49.1	0	0	0	0	112.5	I155	I155-T159 PolarHBondContact O-N 3.42Å; I155-T159 PolarHBondContact O-OG1 3.46Å
160	K	84.8	Confident	87.8	Confident	163 Å²	163	101.5 Å²	101.5	71%	0.709	51%	0.507	S	S	*	.	H	α-helix	trans	-84	-16.4	175.9	-72	172.9	-171.2	177.9	0	114.5	Q156 Q157 Y158	Q156-K160 WeakPolarHBondContact O-CB 3.3Å; Q156-K160 VanDerWaalsContact O-CD 3.27Å; Q156-K160 WeakPolarHBondContact O-CD 3.39Å; Q156-K160 WeakPolarHBondContact O-CG 3.43Å; Q156-K160 PolarHBondContact O-N 3.07Å; Q157-K160 PolarHBondContact O-N 2.98Å; Y158-K160 PolarHBondContact O-N 3.03Å; Y158-K160 VanDerWaalsContact O-N 3.12Å
161	S	82.5	Confident	87.9	Confident	78 Å²	78	102.8 Å²	102.8	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-82.2	-17.8	169.9	58.6	0	0	0	0	113.1	Q157 Y158 I163	Q157-S161 PolarHBondContact O-N 3.08Å; Y158-S161 WeakPolarHBondContact CA-OG 3.49Å; Y158-S161 PolarHBondContact O-N 2.98Å; Y158-S161 PolarHBondContact O-OG 3.09Å; S161-I163 PolarHBondContact O-N 3.48Å
162	I	84.8	Confident	88	Confident	93 Å²	93	101.3 Å²	101.3	48%	0.477	50%	0.498	S	S	.	.			trans	-74.6	114.3	168.4	-59.8	171.2	0	0	0	107.8	Y158	Y158-I162 HydrophobicContact CD1-CD1 4.38Å; Y158-I162 HydrophobicContact CE1-CD1 3.91Å; Y158-I162 PolarHBondContact O-N 3.42Å
163	I	82.7	Confident	88.3	Confident	77 Å²	77	98.7 Å²	98.7	40%	0.395	49%	0.488	S	S	.	.			trans	-107.3	125.8	177.6	-55.9	175.7	0	0	0	107.7	I104 S161 L168	I104-I163 HydrophobicContact CB-CD1 4.39Å; I104-I163 HydrophobicContact CG1-CD1 4.14Å; I104-I163 HydrophobicContact CG2-CD1 3.7Å; S161-I163 PolarHBondContact O-N 3.48Å; I163-L168 HydrophobicContact CG2-CB 3.97Å
164	H	87.1	Confident	88.5	Confident	108 Å²	108	98.5 Å²	98.5	50%	0.5	49%	0.494	S	S	.	.			trans	-66.2	136.2	175	-62.5	-91.4	0	0	0	110.2	D166 K167 L168	H164-D166 VanDerWaalsContact C-N 3.33Å; H164-D166 PolarHBondContact O-N 2.89Å; H164-K167 HydrophobicContact CB-CD 4.41Å; H164-K167 HydrophobicContact CB-CG 4.43Å; H164-K167 PolarHBondContact O-N 3.09Å; H164-K167 VanDerWaalsContact O-N 3.14Å; H164-L168 PolarHBondContact O-N 3.35Å; H164-L168 VanDerWaalsContact O-N 3.09Å
165	P	88.6	Confident	88.6	Confident	90 Å²	90	97.2 Å²	97.2	58%	0.584	49%	0.493	S	S	*	.	H	α-helix	trans	-58.5	-43.3	-172.9	22.4	-32.6	0	0	0	112.2	K167 L168 Q169	P165-K167 VanDerWaalsContact C-N 3.29Å; P165-K167 PolarHBondContact O-N 3.37Å; P165-L168 WeakPolarHBondContact O-CA 3.4Å; P165-L168 WeakPolarHBondContact O-CB 3.27Å; P165-L168 PolarHBondContact O-N 3.23Å; P165-L168 VanDerWaalsContact O-N 3.07Å; P165-Q169 WeakPolarHBondContact O-CB 3.42Å; P165-Q169 PolarHBondContact O-N 3.12Å
166	D	90.7	Very high	88.7	Confident	97 Å²	97	96.5 Å²	96.5	52%	0.519	49%	0.488	S	S	.	.	H	α-helix	trans	-57.7	-39.9	179.3	-12.1	-63.7	0	0	0	112.4	H164 Q170	H164-D166 VanDerWaalsContact C-N 3.33Å; H164-D166 PolarHBondContact O-N 2.89Å; D166-Q170 WeakPolarHBondContact O-CB 3.44Å; D166-Q170 VanDerWaalsContact O-CG 3.23Å; D166-Q170 WeakPolarHBondContact O-CG 3.42Å; D166-Q170 PolarHBondContact O-N 2.9Å
167	K	87.6	Confident	89	Confident	126 Å²	126	98.5 Å²	98.5	55%	0.548	50%	0.498	S	S	.	.	H	α-helix	trans	-75.2	-31.8	178.2	-64.2	-179	-177.5	172.6	0	112.2	H164 P165 T171	H164-K167 HydrophobicContact CB-CD 4.41Å; H164-K167 HydrophobicContact CB-CG 4.43Å; H164-K167 PolarHBondContact O-N 3.09Å; H164-K167 VanDerWaalsContact O-N 3.14Å; P165-K167 VanDerWaalsContact C-N 3.29Å; P165-K167 PolarHBondContact O-N 3.37Å; K167-T171 PolarHBondContact O-N 2.91Å; K167-T171 PolarHBondContact O-OG1 2.84Å
168	L	88.2	Confident	89.3	Confident	59 Å²	59	98 Å²	98	31%	0.309	50%	0.498	S	S	.	.	H	α-helix	trans	-66.5	-50.2	171.7	176.9	59.3	0	0	0	110	I104 I163 H164 P165 T171 V172	I104-L168 HydrophobicContact CD1-CD1 3.71Å; I104-L168 HydrophobicContact CG2-CD1 4.37Å; I163-L168 HydrophobicContact CG2-CB 3.97Å; H164-L168 PolarHBondContact O-N 3.35Å; H164-L168 VanDerWaalsContact O-N 3.09Å; P165-L168 WeakPolarHBondContact O-CA 3.4Å; P165-L168 WeakPolarHBondContact O-CB 3.27Å; P165-L168 PolarHBondContact O-N 3.23Å; P165-L168 VanDerWaalsContact O-N 3.07Å; L168-T171 WeakPolarHBondContact O-CB 3.48Å; L168-T171 PolarHBondContact O-N 3.26Å; L168-T171 VanDerWaalsContact O-N 3.11Å; L168-V172 HydrophobicContact CD1-CG2 4.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.5Å; L168-V172 PolarHBondContact O-N 3.06Å
169	Q	90.5	Very high	89.5	Confident	121 Å²	121	95.1 Å²	95.1	57%	0.565	49%	0.487	S	S	*	.	H	α-helix	trans	-57.5	-53.3	178.3	178.8	171.7	-7	0	0	111.3	P165 T171 V172 D173	P165-Q169 WeakPolarHBondContact O-CB 3.42Å; P165-Q169 PolarHBondContact O-N 3.12Å; Q169-T171 PolarHBondContact O-N 3.24Å; Q169-T171 VanDerWaalsContact O-N 3.1Å; Q169-V172 CarbonylContact O-C 3.56Å; Q169-V172 WeakPolarHBondContact O-CA 3.4Å; Q169-V172 PolarHBondContact O-N 3.17Å; Q169-D173 VanDerWaalsContact CG-OD2 3.3Å; Q169-D173 WeakPolarHBondContact CG-OD2 3.33Å; Q169-D173 WeakPolarHBondContact O-CB 3.48Å; Q169-D173 PolarHBondContact O-N 2.81Å
170	Q	90.9	Very high	89.7	Confident	131 Å²	131	94.4 Å²	94.4	61%	0.612	48%	0.48	S	S	*	.	H	α-helix	trans	-52.6	-37	175.3	-74.8	170.2	0.6	0	0	113.1	D166 S174	D166-Q170 WeakPolarHBondContact O-CB 3.44Å; D166-Q170 VanDerWaalsContact O-CG 3.23Å; D166-Q170 WeakPolarHBondContact O-CG 3.42Å; D166-Q170 PolarHBondContact O-N 2.9Å; Q170-S174 WeakPolarHBondContact O-CB 3.46Å; Q170-S174 PolarHBondContact O-N 3.13Å; Q170-S174 VanDerWaalsContact O-N 3.13Å; Q170-S174 PolarHBondContact O-OG 3.42Å
171	T	88.9	Confident	90.2	Very high	70 Å²	70	91.3 Å²	91.3	43%	0.429	47%	0.466	S	S	.	.	H	α-helix	trans	-71.9	-39.6	177.3	-54	0	0	0	0	111.7	I104 K167 L168 Q169 S174 F175	I104-T171 HydrophobicContact CD1-CG2 3.85Å; K167-T171 PolarHBondContact O-N 2.91Å; K167-T171 PolarHBondContact O-OG1 2.84Å; L168-T171 WeakPolarHBondContact O-CB 3.48Å; L168-T171 PolarHBondContact O-N 3.26Å; L168-T171 VanDerWaalsContact O-N 3.11Å; Q169-T171 PolarHBondContact O-N 3.24Å; Q169-T171 VanDerWaalsContact O-N 3.1Å; T171-S174 PolarHBondContact O-OG 3.15Å; T171-F175 WeakPolarHBondContact O-CB 3.5Å; T171-F175 PolarHBondContact O-N 2.74Å; T171-F175 VanDerWaalsContact O-N 3.16Å
172	V	90.6	Very high	90.6	Very high	67 Å²	67	92.7 Å²	92.7	41%	0.406	46%	0.459	S	S	.	.	H	α-helix	trans	-67.3	-48	175.8	172.2	0	0	0	0	110.9	L168 Q169 S174 F175 M176	L168-V172 HydrophobicContact CD1-CG2 4.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.5Å; L168-V172 PolarHBondContact O-N 3.06Å; Q169-V172 CarbonylContact O-C 3.56Å; Q169-V172 WeakPolarHBondContact O-CA 3.4Å; Q169-V172 PolarHBondContact O-N 3.17Å; V172-S174 VanDerWaalsContact C-N 3.33Å; V172-S174 PolarHBondContact O-N 3.4Å; V172-F175 WeakPolarHBondContact O-CA 3.46Å; V172-F175 WeakPolarHBondContact O-CB 3.5Å; V172-F175 PolarHBondContact O-N 3.22Å; V172-M176 HydrophobicContact CG1-CG 4.33Å; V172-M176 WeakPolarHBondContact O-CG 3.5Å; V172-M176 PolarHBondContact O-N 3.1Å
173	D	93.9	Very high	91	Very high	67 Å²	67	91.9 Å²	91.9	36%	0.358	45%	0.454	S	S	.	.	H	α-helix	trans	-58.8	-44.5	-179.9	-62.7	-10.9	0	0	0	110.8	Q169 F175 M176 Q177	Q169-D173 VanDerWaalsContact CG-OD2 3.3Å; Q169-D173 WeakPolarHBondContact CG-OD2 3.33Å; Q169-D173 WeakPolarHBondContact O-CB 3.48Å; Q169-D173 PolarHBondContact O-N 2.81Å; D173-F175 VanDerWaalsContact C-N 3.33Å; D173-F175 PolarHBondContact O-N 3.37Å; D173-M176 PolarHBondContact O-N 3.11Å; D173-Q177 WeakPolarHBondContact O-CB 3.46Å; D173-Q177 VanDerWaalsContact O-CG 3.27Å; D173-Q177 WeakPolarHBondContact O-CG 3.42Å; D173-Q177 PolarHBondContact O-N 3.35Å
174	S	93.1	Very high	91.4	Very high	54 Å²	54	94.2 Å²	94.2	38%	0.378	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-37.1	173.7	70.3	0	0	0	0	113.2	Q170 T171 V172 D178	Q170-S174 WeakPolarHBondContact O-CB 3.46Å; Q170-S174 PolarHBondContact O-N 3.13Å; Q170-S174 VanDerWaalsContact O-N 3.13Å; Q170-S174 PolarHBondContact O-OG 3.42Å; T171-S174 PolarHBondContact O-OG 3.15Å; V172-S174 VanDerWaalsContact C-N 3.33Å; V172-S174 PolarHBondContact O-N 3.4Å; S174-D178 WeakPolarHBondContact O-CB 3.27Å; S174-D178 PolarHBondContact O-N 3.03Å
175	F	91.1	Very high	91.7	Very high	130 Å²	130	94.2 Å²	94.2	57%	0.57	46%	0.463	S	S	*	.	H	α-helix	trans	-73	-36	-179.6	178.2	-91.5	0	0	0	112.2	T171 V172 D173 Y179	T171-F175 WeakPolarHBondContact O-CB 3.5Å; T171-F175 PolarHBondContact O-N 2.74Å; T171-F175 VanDerWaalsContact O-N 3.16Å; V172-F175 WeakPolarHBondContact O-CA 3.46Å; V172-F175 WeakPolarHBondContact O-CB 3.5Å; V172-F175 PolarHBondContact O-N 3.22Å; D173-F175 VanDerWaalsContact C-N 3.33Å; D173-F175 PolarHBondContact O-N 3.37Å; F175-Y179 VanDerWaalsContact O-CB 3.31Å; F175-Y179 WeakPolarHBondContact O-CB 3.36Å; F175-Y179 PolarHBondContact O-N 3.34Å
176	M	93.4	Very high	91.6	Very high	83 Å²	83	93.8 Å²	93.8	41%	0.409	45%	0.453	S	S	.	.	H	α-helix	trans	-67.2	-49.6	172.5	-67.9	-54.3	-54.7	0	0	110.6	V172 D173 D178 Y179 D180	V172-M176 HydrophobicContact CG1-CG 4.33Å; V172-M176 WeakPolarHBondContact O-CG 3.5Å; V172-M176 PolarHBondContact O-N 3.1Å; D173-M176 PolarHBondContact O-N 3.11Å; M176-D178 VanDerWaalsContact C-N 3.28Å; M176-D178 PolarHBondContact O-N 2.66Å; M176-Y179 CarbonylContact O-C 3.57Å; M176-Y179 WeakPolarHBondContact O-CA 3.28Å; M176-Y179 WeakPolarHBondContact O-CB 3.42Å; M176-Y179 PolarHBondContact O-N 3.12Å; M176-D180 PolarHBondContact O-N 3.01Å
177	Q	94.8	Very high	91.6	Very high	112 Å²	112	90.9 Å²	90.9	52%	0.523	44%	0.443	S	S	.	.	H	α-helix	trans	-57.1	-40.3	175.5	-70.3	171.4	21.1	0	0	112.8	D173 Y179 K181	D173-Q177 WeakPolarHBondContact O-CB 3.46Å; D173-Q177 VanDerWaalsContact O-CG 3.27Å; D173-Q177 WeakPolarHBondContact O-CG 3.42Å; D173-Q177 PolarHBondContact O-N 3.35Å; Q177-Y179 VanDerWaalsContact C-N 3.28Å; Q177-Y179 PolarHBondContact O-N 3.47Å; Q177-K181 WeakPolarHBondContact O-CB 3.21Å; Q177-K181 VanDerWaalsContact O-CD 3.32Å; Q177-K181 WeakPolarHBondContact O-CD 3.44Å; Q177-K181 WeakPolarHBondContact O-CG 3.42Å; Q177-K181 PolarHBondContact O-N 3.33Å
178	D	92.6	Very high	91.7	Very high	88 Å²	88	90.5 Å²	90.5	47%	0.471	44%	0.443	S	S	.	.	H	α-helix	trans	-76.6	-11.3	175.1	-76.2	-4.6	0	0	0	113.3	S174 M176 K181 R182	S174-D178 WeakPolarHBondContact O-CB 3.27Å; S174-D178 PolarHBondContact O-N 3.03Å; M176-D178 VanDerWaalsContact C-N 3.28Å; M176-D178 PolarHBondContact O-N 2.66Å; D178-K181 IonicContact OD1-NZ 3.41Å; D178-K181 PolarHBondContact OD1-NZ 3.18Å; D178-R182 VanDerWaalsContact O-CZ 3.23Å; D178-R182 PolarHBondContact O-NE 2.92Å; D178-R182 PolarHBondContact O-NH2 2.84Å
179	Y	92.4	Very high	91.6	Very high	97 Å²	97	93.5 Å²	93.5	38%	0.38	45%	0.45	S	S	.	.	H	α-helix	trans	-88.6	-48.5	170.9	177.6	-99.6	0	0	0	111.3	F175 M176 Q177 K181 R182 Q183	F175-Y179 VanDerWaalsContact O-CB 3.31Å; F175-Y179 WeakPolarHBondContact O-CB 3.36Å; F175-Y179 PolarHBondContact O-N 3.34Å; M176-Y179 CarbonylContact O-C 3.57Å; M176-Y179 WeakPolarHBondContact O-CA 3.28Å; M176-Y179 WeakPolarHBondContact O-CB 3.42Å; M176-Y179 PolarHBondContact O-N 3.12Å; Q177-Y179 VanDerWaalsContact C-N 3.28Å; Q177-Y179 PolarHBondContact O-N 3.47Å; Y179-K181 PolarHBondContact O-N 2.88Å; Y179-R182 VanDerWaalsContact CA-NH2 3.35Å; Y179-R182 WeakPolarHBondContact O-CA 3.14Å; Y179-R182 WeakPolarHBondContact O-CB 3.38Å; Y179-R182 PolarHBondContact O-N 3.32Å; Y179-Q183 HydrophobicContact CD1-CG 4.21Å; Y179-Q183 HydrophobicContact CE1-CG 3.7Å; Y179-Q183 HydrophobicContact CE2-CG 4.14Å; Y179-Q183 PolarHBondContact O-N 3Å
180	D	95.1	Very high	91.3	Very high	72 Å²	72	94 Å²	94	39%	0.385	45%	0.452	S	S	.	.	H	α-helix	trans	-60.1	-47.8	-178.3	-58.9	-27.6	0	0	0	110.4	M176 R182 Q183 E184	M176-D180 PolarHBondContact O-N 3.01Å; D180-R182 VanDerWaalsContact C-N 3.28Å; D180-R182 PolarHBondContact O-N 3.44Å; D180-Q183 CarbonylContact O-C 3.59Å; D180-Q183 WeakPolarHBondContact O-CA 3.34Å; D180-Q183 PolarHBondContact O-N 3.43Å; D180-E184 WeakPolarHBondContact O-CG 3.06Å; D180-E184 PolarHBondContact O-N 3.31Å
181	K	94.8	Very high	91	Very high	98 Å²	98	96.5 Å²	96.5	43%	0.426	46%	0.456	S	S	.	.	H	α-helix	trans	-53.9	-40.9	172.1	-70.3	167.2	-162.9	159.5	0	113.2	Q177 D178 Y179 E184 E185	Q177-K181 WeakPolarHBondContact O-CB 3.21Å; Q177-K181 VanDerWaalsContact O-CD 3.32Å; Q177-K181 WeakPolarHBondContact O-CD 3.44Å; Q177-K181 WeakPolarHBondContact O-CG 3.42Å; Q177-K181 PolarHBondContact O-N 3.33Å; D178-K181 IonicContact OD1-NZ 3.41Å; D178-K181 PolarHBondContact OD1-NZ 3.18Å; Y179-K181 PolarHBondContact O-N 2.88Å; K181-E184 PolarHBondContact O-N 3.01Å; K181-E185 WeakPolarHBondContact O-CB 3.32Å; K181-E185 WeakPolarHBondContact O-CG 3.44Å; K181-E185 PolarHBondContact O-N 3.21Å
182	R	91.3	Very high	90.6	Very high	106 Å²	106	97.4 Å²	97.4	40%	0.4	46%	0.455	S	S	.	.	H	α-helix	trans	-69.9	-33.9	178.1	-81.3	-177.7	-71.3	123.3	4.3	111.9	D178 Y179 D180 E186	D178-R182 VanDerWaalsContact O-CZ 3.23Å; D178-R182 PolarHBondContact O-NE 2.92Å; D178-R182 PolarHBondContact O-NH2 2.84Å; Y179-R182 VanDerWaalsContact CA-NH2 3.35Å; Y179-R182 WeakPolarHBondContact O-CA 3.14Å; Y179-R182 WeakPolarHBondContact O-CB 3.38Å; Y179-R182 PolarHBondContact O-N 3.32Å; D180-R182 VanDerWaalsContact C-N 3.28Å; D180-R182 PolarHBondContact O-N 3.44Å; R182-E186 WeakPolarHBondContact O-CB 3.43Å; R182-E186 WeakPolarHBondContact O-CG 3.39Å; R182-E186 PolarHBondContact O-N 2.7Å
183	Q	92.1	Very high	90.1	Very high	77 Å²	77	99.8 Å²	99.8	36%	0.36	46%	0.462	S	S	.	.	H	α-helix	trans	-71.3	-35.8	172.7	-65.1	-57.5	-94	0	0	112.1	Y179 D180 E186 A187	Y179-Q183 HydrophobicContact CD1-CG 4.21Å; Y179-Q183 HydrophobicContact CE1-CG 3.7Å; Y179-Q183 HydrophobicContact CE2-CG 4.14Å; Y179-Q183 PolarHBondContact O-N 3Å; D180-Q183 CarbonylContact O-C 3.59Å; D180-Q183 WeakPolarHBondContact O-CA 3.34Å; D180-Q183 PolarHBondContact O-N 3.43Å; Q183-E186 PolarHBondContact NE2-OE2 2.88Å; Q183-E186 PolarHBondContact O-N 3.03Å; Q183-A187 VanDerWaalsContact O-CB 3.24Å; Q183-A187 WeakPolarHBondContact O-CB 3.37Å; Q183-A187 PolarHBondContact O-N 3.13Å
184	E	92.5	Very high	89.3	Confident	126 Å²	126	98.6 Å²	98.6	59%	0.589	46%	0.462	S	S	*	.	H	α-helix	trans	-63.5	-51	170.9	-69.6	175	155.1	0	0	111	D180 K181 E186 A187 E188	D180-E184 WeakPolarHBondContact O-CG 3.06Å; D180-E184 PolarHBondContact O-N 3.31Å; K181-E184 PolarHBondContact O-N 3.01Å; E184-E186 VanDerWaalsContact C-N 3.29Å; E184-E186 PolarHBondContact O-N 3.11Å; E184-A187 PolarHBondContact O-N 3.16Å; E184-A187 VanDerWaalsContact O-N 3.12Å; E184-E188 WeakPolarHBondContact O-CG 3.42Å; E184-E188 PolarHBondContact O-N 3.37Å
185	E	92.1	Very high	88.4	Confident	107 Å²	107	101.9 Å²	101.9	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-57.9	-37	174.4	-75.2	174.3	-167	0	0	112.9	K181 R189	K181-E185 WeakPolarHBondContact O-CB 3.32Å; K181-E185 WeakPolarHBondContact O-CG 3.44Å; K181-E185 PolarHBondContact O-N 3.21Å; E185-R189 WeakPolarHBondContact O-CB 3.32Å; E185-R189 WeakPolarHBondContact O-CG 3.43Å; E185-R189 PolarHBondContact O-N 3.23Å; E185-R189 VanDerWaalsContact O-N 3.14Å; E185-R189 PolarHBondContact O-NE 3.34Å
186	E	87.3	Confident	87.4	Confident	82 Å²	82	101 Å²	101	38%	0.383	47%	0.467	S	S	.	.	H	α-helix	trans	-72	-38.5	175.5	-76.9	174.4	-174	0	0	111.9	R182 Q183 E184 R189 Q190	R182-E186 WeakPolarHBondContact O-CB 3.43Å; R182-E186 WeakPolarHBondContact O-CG 3.39Å; R182-E186 PolarHBondContact O-N 2.7Å; Q183-E186 PolarHBondContact NE2-OE2 2.88Å; Q183-E186 PolarHBondContact O-N 3.03Å; E184-E186 VanDerWaalsContact C-N 3.29Å; E184-E186 PolarHBondContact O-N 3.11Å; E186-R189 VanDerWaalsContact CG-NH2 3.27Å; E186-Q190 WeakPolarHBondContact O-CB 3.41Å; E186-Q190 VanDerWaalsContact O-CG 3.26Å; E186-Q190 WeakPolarHBondContact O-CG 3.33Å; E186-Q190 PolarHBondContact O-N 3.41Å; E186-Q190 PolarHBondContact O-NE2 3.26Å
187	A	89.9	Confident	85.7	Confident	36 Å²	36	101.4 Å²	101.4	30%	0.298	47%	0.468	S	S	.	.	H	α-helix	trans	-70.2	-39.7	176.1	0	0	0	0	0	112.3	Q183 E184 Q190 R191	Q183-A187 VanDerWaalsContact O-CB 3.24Å; Q183-A187 WeakPolarHBondContact O-CB 3.37Å; Q183-A187 PolarHBondContact O-N 3.13Å; E184-A187 PolarHBondContact O-N 3.16Å; E184-A187 VanDerWaalsContact O-N 3.12Å; A187-Q190 PolarHBondContact O-N 3.17Å; A187-R191 VanDerWaalsContact O-CG 3.29Å; A187-R191 WeakPolarHBondContact O-CG 3.5Å; A187-R191 PolarHBondContact O-N 2.9Å
188	E	89.4	Confident	83.9	Confident	117 Å²	117	102.4 Å²	102.4	55%	0.547	47%	0.473	S	S	.	.	H	α-helix	trans	-64.8	-44.1	174.1	-74.6	-165.9	163.6	0	0	111.7	E184 Q190 R191 Q192	E184-E188 WeakPolarHBondContact O-CG 3.42Å; E184-E188 PolarHBondContact O-N 3.37Å; E188-Q190 VanDerWaalsContact C-N 3.32Å; E188-Q190 PolarHBondContact O-N 3.16Å; E188-R191 PolarHBondContact O-N 3.09Å; E188-R191 VanDerWaalsContact O-N 3.17Å; E188-Q192 WeakPolarHBondContact O-CG 3.46Å; E188-Q192 PolarHBondContact O-N 2.72Å
189	R	86.9	Confident	81.9	Confident	123 Å²	123	104.3 Å²	104.3	46%	0.464	48%	0.479	S	S	.	.	H	α-helix	trans	-59.4	-43.3	173.3	-79.5	175.7	-75.1	167	-5.4	111.7	E185 E186 R191 Q192 E193	E185-R189 WeakPolarHBondContact O-CB 3.32Å; E185-R189 WeakPolarHBondContact O-CG 3.43Å; E185-R189 PolarHBondContact O-N 3.23Å; E185-R189 VanDerWaalsContact O-N 3.14Å; E185-R189 PolarHBondContact O-NE 3.34Å; E186-R189 VanDerWaalsContact CG-NH2 3.27Å; R189-R191 PolarHBondContact O-N 2.86Å; R189-Q192 PolarHBondContact O-N 2.79Å; R189-E193 WeakPolarHBondContact O-CB 3.49Å; R189-E193 WeakPolarHBondContact O-CG 3.43Å; R189-E193 PolarHBondContact O-N 2.77Å
190	Q	83.4	Confident	80.1	Confident	130 Å²	130	105 Å²	105	61%	0.607	49%	0.489	S	S	*	.	H	α-helix	trans	-63.7	-36.6	174.9	-74.4	172.5	54.8	0	0	113.1	E186 A187 E188 A194	E186-Q190 WeakPolarHBondContact O-CB 3.41Å; E186-Q190 VanDerWaalsContact O-CG 3.26Å; E186-Q190 WeakPolarHBondContact O-CG 3.33Å; E186-Q190 PolarHBondContact O-N 3.41Å; E186-Q190 PolarHBondContact O-NE2 3.26Å; A187-Q190 PolarHBondContact O-N 3.17Å; E188-Q190 VanDerWaalsContact C-N 3.32Å; E188-Q190 PolarHBondContact O-N 3.16Å; Q190-A194 WeakPolarHBondContact O-CB 3.43Å; Q190-A194 PolarHBondContact O-N 3.09Å
191	R	84.5	Confident	78	Confident	184 Å²	184	109 Å²	109	69%	0.694	51%	0.505	S	S	*	.	H	α-helix	trans	-65.7	-50.2	173.8	-72.6	171.6	-168.8	-160.3	6.4	111.3	A187 E188 R189 E193 A194 E195	A187-R191 VanDerWaalsContact O-CG 3.29Å; A187-R191 WeakPolarHBondContact O-CG 3.5Å; A187-R191 PolarHBondContact O-N 2.9Å; E188-R191 PolarHBondContact O-N 3.09Å; E188-R191 VanDerWaalsContact O-N 3.17Å; R189-R191 PolarHBondContact O-N 2.86Å; R191-E193 VanDerWaalsContact C-N 3.3Å; R191-E193 PolarHBondContact O-N 2.88Å; R191-A194 WeakPolarHBondContact O-CB 3.41Å; R191-A194 PolarHBondContact O-N 3.3Å; R191-A194 VanDerWaalsContact O-N 3.09Å; R191-E195 WeakPolarHBondContact O-CB 3.25Å; R191-E195 PolarHBondContact O-N 3.23Å
192	Q	82.3	Confident	75.9	Confident	89 Å²	89	112.6 Å²	112.6	42%	0.416	52%	0.524	S	S	.	.	H	α-helix	trans	-62.4	-35.3	177.4	-68.7	-179.5	25.8	0	0	112.6	E188 R189 K196	E188-Q192 WeakPolarHBondContact O-CG 3.46Å; E188-Q192 PolarHBondContact O-N 2.72Å; R189-Q192 PolarHBondContact O-N 2.79Å; Q192-K196 WeakPolarHBondContact O-CB 3.44Å; Q192-K196 VanDerWaalsContact O-CD 3.3Å; Q192-K196 WeakPolarHBondContact O-CD 3.13Å; Q192-K196 VanDerWaalsContact O-CG 3.22Å; Q192-K196 WeakPolarHBondContact O-CG 3.06Å; Q192-K196 PolarHBondContact O-N 3.31Å
193	E	79.4	Confident	74	Confident	118 Å²	118	109.4 Å²	109.4	55%	0.551	52%	0.524	S	S	*	.	H	α-helix	trans	-69	-34.9	173.3	-79.3	-177.6	-162.6	0	0	112.4	R189 R191 Q197	R189-E193 WeakPolarHBondContact O-CB 3.49Å; R189-E193 WeakPolarHBondContact O-CG 3.43Å; R189-E193 PolarHBondContact O-N 2.77Å; R191-E193 VanDerWaalsContact C-N 3.3Å; R191-E193 PolarHBondContact O-N 2.88Å; E193-Q197 VanDerWaalsContact O-CB 3.28Å; E193-Q197 WeakPolarHBondContact O-CB 3.35Å; E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 3.38Å; E193-Q197 VanDerWaalsContact O-N 3.09Å; E193-Q197 PolarHBondContact O-NE2 3.26Å
194	A	77.3	Confident	72.1	Confident	42 Å²	42	118 Å²	118	35%	0.347	55%	0.553	S	S	.	*	H	α-helix	trans	-72.4	-40.1	175.4	0	0	0	0	0	112.2	Q190 R191 Q197 Q198	Q190-A194 WeakPolarHBondContact O-CB 3.43Å; Q190-A194 PolarHBondContact O-N 3.09Å; R191-A194 WeakPolarHBondContact O-CB 3.41Å; R191-A194 PolarHBondContact O-N 3.3Å; R191-A194 VanDerWaalsContact O-N 3.09Å; A194-Q197 WeakPolarHBondContact O-CB 3.49Å; A194-Q197 PolarHBondContact O-N 3.23Å; A194-Q198 WeakPolarHBondContact O-CB 3.46Å; A194-Q198 PolarHBondContact O-N 3.22Å
195	E	74.1	Confident	70.2	Confident	122 Å²	122	117.3 Å²	117.3	57%	0.57	56%	0.557	S	S	*	*	H	α-helix	trans	-62.3	-51.4	176.2	-172.2	168.1	-138.5	0	0	110.8	R191 Q197 Q198 E199	R191-E195 WeakPolarHBondContact O-CB 3.25Å; R191-E195 PolarHBondContact O-N 3.23Å; E195-Q197 VanDerWaalsContact C-N 3.31Å; E195-Q197 PolarHBondContact O-N 3.02Å; E195-Q198 WeakPolarHBondContact O-CA 3.34Å; E195-Q198 WeakPolarHBondContact O-CB 3.2Å; E195-Q198 PolarHBondContact O-N 3.47Å; E195-E199 PolarHBondContact O-N 2.99Å
196	K	69.4	Low	68.5	Low	111 Å²	111	121 Å²	121	48%	0.483	57%	0.571	S	S	.	*	H	α-helix	trans	-60.7	-36.8	174	-69.4	162.6	-169.2	159	0	112.7	Q192 Q198 E199 D200	Q192-K196 WeakPolarHBondContact O-CB 3.44Å; Q192-K196 VanDerWaalsContact O-CD 3.3Å; Q192-K196 WeakPolarHBondContact O-CD 3.13Å; Q192-K196 VanDerWaalsContact O-CG 3.22Å; Q192-K196 WeakPolarHBondContact O-CG 3.06Å; Q192-K196 PolarHBondContact O-N 3.31Å; K196-Q198 VanDerWaalsContact C-N 3.25Å; K196-Q198 PolarHBondContact O-N 2.95Å; K196-E199 PolarHBondContact O-N 3.27Å; K196-D200 WeakPolarHBondContact O-CB 3.3Å; K196-D200 PolarHBondContact O-N 3.27Å
197	Q	58.8	Low	66.8	Low	92 Å²	92	123.5 Å²	123.5	43%	0.43	59%	0.592	S	S	.	*	H	α-helix	trans	-66.2	-25.9	173.1	-83.1	167.4	57.8	0	0	113.3	E193 A194 E195 R226	E193-Q197 VanDerWaalsContact O-CB 3.28Å; E193-Q197 WeakPolarHBondContact O-CB 3.35Å; E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 3.38Å; E193-Q197 VanDerWaalsContact O-N 3.09Å; E193-Q197 PolarHBondContact O-NE2 3.26Å; A194-Q197 WeakPolarHBondContact O-CB 3.49Å; A194-Q197 PolarHBondContact O-N 3.23Å; E195-Q197 VanDerWaalsContact C-N 3.31Å; E195-Q197 PolarHBondContact O-N 3.02Å; Q197-R226 VanDerWaalsContact OE1-NH1 3.13Å
198	Q	56.5	Low	64.8	Low	134 Å²	134	127.3 Å²	127.3	63%	0.626	61%	0.612	S	S	*	*	H	α-helix	trans	-83.6	-40.1	177.3	-171.2	171.8	-24.7	0	0	110.8	A194 E195 K196 D200 E201 E202	A194-Q198 WeakPolarHBondContact O-CB 3.46Å; A194-Q198 PolarHBondContact O-N 3.22Å; E195-Q198 WeakPolarHBondContact O-CA 3.34Å; E195-Q198 WeakPolarHBondContact O-CB 3.2Å; E195-Q198 PolarHBondContact O-N 3.47Å; K196-Q198 VanDerWaalsContact C-N 3.25Å; K196-Q198 PolarHBondContact O-N 2.95Å; Q198-D200 VanDerWaalsContact C-N 3.26Å; Q198-D200 PolarHBondContact O-N 2.97Å; Q198-E201 PolarHBondContact O-N 3.48Å; Q198-E202 PolarHBondContact O-N 3.18Å
199	E	51	Low	62.7	Low	128 Å²	128	133.2 Å²	133.2	60%	0.598	63%	0.629	S	S	*	*	H	α-helix	trans	-57.8	-37.9	167.7	-65.9	-177.7	135.1	0	0	111.7	E195 K196 E201 E202 G203	E195-E199 PolarHBondContact O-N 2.99Å; K196-E199 PolarHBondContact O-N 3.27Å; E199-E201 PolarHBondContact O-N 3.41Å; E199-E202 PolarHBondContact O-N 2.88Å; E199-G203 WeakPolarHBondContact O-CA 3.43Å; E199-G203 PolarHBondContact O-N 3.35Å
200	D	53.3	Low	60.7	Low	112 Å²	112	130.5 Å²	130.5	60%	0.599	64%	0.639	S	S	*	*	H	α-helix	trans	-68.3	-11.8	173.6	-91.9	-23.4	0	0	0	114.6	K196 Q198	K196-D200 WeakPolarHBondContact O-CB 3.3Å; K196-D200 PolarHBondContact O-N 3.27Å; Q198-D200 VanDerWaalsContact C-N 3.26Å; Q198-D200 PolarHBondContact O-N 2.97Å
201	E	51.7	Low	59.1	Low	155 Å²	155	133.1 Å²	133.1	72%	0.724	65%	0.651	S	S	*	*	H	α-helix	trans	-92.5	-20.8	172.5	-69.1	-151.7	138.7	0	0	113.5	Q198 E199	Q198-E201 PolarHBondContact O-N 3.48Å; E199-E201 PolarHBondContact O-N 3.41Å
202	E	49.6	Very low	57.4	Low	174 Å²	174	133.5 Å²	133.5	81%	0.813	66%	0.657	S	S	*	*	H	α-helix	trans	-107.3	-19.5	174.9	-71.4	-178.1	140.7	0	0	113.5	Q198 E199	Q198-E202 PolarHBondContact O-N 3.18Å; E199-E202 PolarHBondContact O-N 2.88Å
203	G	52.8	Low	55.9	Low	39 Å²	39	133.8 Å²	133.8	40%	0.402	68%	0.684	S	S	.	*	S	Bend	trans	-76	149.8	167.2	0	0	0	0	0	112.9	E199 V205	E199-G203 WeakPolarHBondContact O-CA 3.43Å; E199-G203 PolarHBondContact O-N 3.35Å; G203-V205 PolarHBondContact O-N 3.25Å
204	W	51.2	Low	54.3	Low	258 Å²	258	132.2 Å²	132.2	98%	0.977	69%	0.692	S	S	*	*			trans	-67	105.9	178.6	-77.9	68.6	0	0	0	111.1	K206	W204-K206 PolarHBondContact O-N 3.29Å
205	V	53.9	Low	53	Low	110 Å²	110	140.3 Å²	140.3	67%	0.667	72%	0.719	S	S	*	*			trans	-51	103.7	178.7	-179.8	0	0	0	0	111	G203 V207	G203-V205 PolarHBondContact O-N 3.25Å; V205-V207 WeakPolarHBondContact O-CG2 3.5Å; V205-V207 PolarHBondContact O-N 2.85Å
206	K	56.2	Low	51.9	Low	185 Å²	185	138.8 Å²	138.8	80%	0.804	73%	0.728	S	S	*	*			trans	-73.5	97.8	-176.8	-161.7	171.9	-169.3	171.8	0	109.2	W204 T208	W204-K206 PolarHBondContact O-N 3.29Å; K206-T208 VanDerWaalsContact C-N 3.25Å; K206-T208 PolarHBondContact O-N 3.17Å
207	V	51.4	Low	51.1	Low	134 Å²	134	142.9 Å²	142.9	81%	0.812	74%	0.74	S	S	*	*			trans	-68.4	76.7	-174	-171.8	0	0	0	0	111.9	V205 R209	V205-V207 WeakPolarHBondContact O-CG2 3.5Å; V205-V207 PolarHBondContact O-N 2.85Å; V207-R209 PolarHBondContact O-N 2.93Å
208	T	48.4	Very low	50.8	Low	116 Å²	116	141.8 Å²	141.8	71%	0.712	74%	0.741	S	S	*	*			trans	-73.8	107.7	171.4	54.3	0	0	0	0	109.2	K206 G210	K206-T208 VanDerWaalsContact C-N 3.25Å; K206-T208 PolarHBondContact O-N 3.17Å; T208-G210 PolarHBondContact O-N 2.81Å
209	R	43.9	Very low	50.7	Low	242 Å²	242	144.5 Å²	144.5	91%	0.913	75%	0.753	S	S	*	*			trans	-72.2	73.5	174.8	-171.2	177.7	179.6	169.5	-0.6	110.4	V207 H211	V207-R209 PolarHBondContact O-N 2.93Å; R209-H211 PolarHBondContact O-N 2.86Å
210	G	46	Very low	51.3	Low	65 Å²	65	141.6 Å²	141.6	67%	0.67	75%	0.747	S	S	*	*			trans	-53.5	125.6	-178.6	0	0	0	0	0	112.1	T208	T208-G210 PolarHBondContact O-N 2.81Å
211	H	50.3	Low	52	Low	185 Å²	185	143.8 Å²	143.8	86%	0.856	75%	0.754	S	S	*	*	S	Bend	trans	-71.5	145.3	174.4	-127.6	81.5	0	0	0	109.8	R209	R209-H211 PolarHBondContact O-N 2.86Å
212	K	47.4	Very low	52.6	Low	192 Å²	192	139 Å²	139	84%	0.835	74%	0.74	S	S	*	*	S	Bend	trans	70.3	75.4	-176.8	-53.2	-178.8	180	179.4	0	116.4	A214	K212-A214 PolarHBondContact O-N 3.5Å
213	G	51.4	Low	53.4	Low	95 Å²	95	131.7 Å²	131.7	98%	0.979	71%	0.71	S	S	*	*	S	Bend		65	-20	114.7	0	0	0	0	0	122
214	A	46.1	Very low	54.4	Low	86 Å²	86	132.6 Å²	132.6	71%	0.711	71%	0.706	S	S	*	*			trans	-121	106.2	-175.1	0	0	0	0	0	110.6	K212 A216	K212-A214 PolarHBondContact O-N 3.5Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.31Å
215	K	50.5	Low	55.5	Low	211 Å²	211	125.9 Å²	125.9	92%	0.917	69%	0.685	S	S	*	*			trans	-70.1	96	161.4	-70.3	179.7	-179.5	177.5	0	107.4	R217	K215-R217 PolarHBondContact O-N 3.5Å; K215-R217 VanDerWaalsContact O-N 3.11Å
216	A	50	Low	56.4	Low	91 Å²	91	127.6 Å²	127.6	75%	0.752	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-53.2	119.2	169.5	0	0	0	0	0	108.2	A214	A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.31Å
217	R	53.4	Low	57.4	Low	197 Å²	197	122 Å²	122	74%	0.743	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-67.8	127.4	170.8	-66.9	-174.7	-175.6	-178	2.2	106.5	K215 H219	K215-R217 PolarHBondContact O-N 3.5Å; K215-R217 VanDerWaalsContact O-N 3.11Å; R217-H219 PolarHBondContact O-CD2 3Å; R217-H219 PolarHBondContact O-N 3.46Å; R217-H219 VanDerWaalsContact O-N 3.13Å
218	P	52.6	Low	58.6	Low	68 Å²	68	121.1 Å²	121.1	44%	0.442	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-59.2	121.7	173.5	25	-33.4	0	0	0	108.3	S220 A223 N224	P218-S220 PolarHBondContact O-N 2.88Å; P218-S220 VanDerWaalsContact O-N 3.11Å; P218-A223 HydrophobicContact CB-CB 3.62Å; P218-A223 HydrophobicContact CG-CB 3.45Å; P218-A223 VanDerWaalsContact CG-CB 3.45Å; P218-N224 PolarHBondContact O-ND2 3.06Å
219	H	53.3	Low	60.1	Low	191 Å²	191	121.9 Å²	121.9	88%	0.884	65%	0.646	S	S	*	*	S	Bend	trans	-72.1	-2.8	-170.6	-90.7	-97.2	0	0	0	114.1	R217	R217-H219 PolarHBondContact O-CD2 3Å; R217-H219 PolarHBondContact O-N 3.46Å; R217-H219 VanDerWaalsContact O-N 3.13Å
220	S	64	Low	61.8	Low	68 Å²	68	118.2 Å²	118.2	48%	0.476	63%	0.633	S	S	.	*			trans	-74.4	135.1	172.8	172.4	0	0	0	0	112	P218 A222 A223 N224	P218-S220 PolarHBondContact O-N 2.88Å; P218-S220 VanDerWaalsContact O-N 3.11Å; S220-A222 VanDerWaalsContact C-N 3.29Å; S220-A222 PolarHBondContact O-N 2.94Å; S220-A222 PolarHBondContact OG-N 2.75Å; S220-A223 PolarHBondContact O-N 2.75Å; S220-A223 VanDerWaalsContact O-N 3.17Å; S220-N224 PolarHBondContact O-N 2.92Å; S220-N224 VanDerWaalsContact O-N 3.1Å; S220-N224 PolarHBondContact O-ND2 3.16Å; S220-N224 VanDerWaalsContact O-ND2 3.15Å
221	E	67.6	Low	63.5	Low	157 Å²	157	119.9 Å²	119.9	73%	0.734	62%	0.623	S	S	*	*	H	α-helix	trans	-59.8	-39.5	175.2	-60.7	-165.7	145.9	0	0	112.1	A223 N224 Q225	E221-A223 VanDerWaalsContact C-N 3.27Å; E221-A223 PolarHBondContact O-N 3.1Å; E221-N224 PolarHBondContact O-N 3.21Å; E221-Q225 WeakPolarHBondContact O-CG 3.23Å; E221-Q225 PolarHBondContact O-N 2.98Å
222	A	65.1	Low	64.9	Low	54 Å²	54	113.3 Å²	113.3	45%	0.446	60%	0.601	S	S	.	*	H	α-helix	trans	-60.6	-37.5	176.8	0	0	0	0	0	112	S220 Q225 R226	S220-A222 VanDerWaalsContact C-N 3.29Å; S220-A222 PolarHBondContact O-N 2.94Å; S220-A222 PolarHBondContact OG-N 2.75Å; A222-Q225 PolarHBondContact O-N 3.03Å; A222-R226 WeakPolarHBondContact O-CB 3.46Å; A222-R226 VanDerWaalsContact O-CG 3.32Å; A222-R226 WeakPolarHBondContact O-CG 3.48Å; A222-R226 PolarHBondContact O-N 2.91Å
223	A	66.4	Low	66.4	Low	21 Å²	21	113 Å²	113	17%	0.174	59%	0.594	C	S	.	*	H	α-helix	trans	-73	-35.1	177.2	0	0	0	0	0	112.4	P218 S220 E221 T227	P218-A223 HydrophobicContact CB-CB 3.62Å; P218-A223 HydrophobicContact CG-CB 3.45Å; P218-A223 VanDerWaalsContact CG-CB 3.45Å; S220-A223 PolarHBondContact O-N 2.75Å; S220-A223 VanDerWaalsContact O-N 3.17Å; E221-A223 VanDerWaalsContact C-N 3.27Å; E221-A223 PolarHBondContact O-N 3.1Å; A223-T227 WeakPolarHBondContact O-CB 3.4Å; A223-T227 PolarHBondContact O-N 3.13Å; A223-T227 PolarHBondContact O-OG1 2.82Å
224	N	72.8	Confident	67.8	Low	59 Å²	59	114.6 Å²	114.6	32%	0.316	57%	0.574	S	S	.	*	H	α-helix	trans	-64.8	-44.7	170.2	-75.7	-61.6	0	0	0	111.6	P218 S220 E221 T227 L228	P218-N224 PolarHBondContact O-ND2 3.06Å; S220-N224 PolarHBondContact O-N 2.92Å; S220-N224 VanDerWaalsContact O-N 3.1Å; S220-N224 PolarHBondContact O-ND2 3.16Å; S220-N224 VanDerWaalsContact O-ND2 3.15Å; E221-N224 PolarHBondContact O-N 3.21Å; N224-T227 WeakPolarHBondContact O-CB 3.31Å; N224-T227 PolarHBondContact O-N 2.73Å; N224-L228 WeakPolarHBondContact O-CG 3.49Å; N224-L228 PolarHBondContact O-N 3.23Å
225	Q	75.3	Confident	69.3	Low	117 Å²	117	116.5 Å²	116.5	55%	0.547	57%	0.566	S	S	.	*	H	α-helix	trans	-61	-47.9	175.3	-70.2	-176.4	22.8	0	0	112.1	E221 A222 T227 L228 Q229	E221-Q225 WeakPolarHBondContact O-CG 3.23Å; E221-Q225 PolarHBondContact O-N 2.98Å; A222-Q225 PolarHBondContact O-N 3.03Å; Q225-T227 VanDerWaalsContact C-N 3.26Å; Q225-T227 PolarHBondContact O-N 3.04Å; Q225-L228 PolarHBondContact O-N 3.11Å; Q225-Q229 WeakPolarHBondContact O-CG 3.15Å; Q225-Q229 PolarHBondContact O-N 3.2Å
226	R	72.6	Confident	70.4	Confident	146 Å²	146	116 Å²	116	55%	0.551	56%	0.559	S	S	*	*	H	α-helix	trans	-57	-39.1	173.8	-75.5	176.4	177.2	-171.3	-1	111.9	Q197 A222 Q229 R230	Q197-R226 VanDerWaalsContact OE1-NH1 3.13Å; A222-R226 WeakPolarHBondContact O-CB 3.46Å; A222-R226 VanDerWaalsContact O-CG 3.32Å; A222-R226 WeakPolarHBondContact O-CG 3.48Å; A222-R226 PolarHBondContact O-N 2.91Å; R226-Q229 PolarHBondContact O-N 2.91Å; R226-R230 WeakPolarHBondContact O-CB 2.84Å; R226-R230 PolarHBondContact O-N 2.59Å
227	T	75.9	Confident	71.5	Confident	67 Å²	67	119.7 Å²	119.7	41%	0.411	56%	0.558	S	S	.	*	H	α-helix	trans	-65.3	-48.2	176.7	-58.3	0	0	0	0	111.6	A223 N224 Q225 Q229 R230 E231	A223-T227 WeakPolarHBondContact O-CB 3.4Å; A223-T227 PolarHBondContact O-N 3.13Å; A223-T227 PolarHBondContact O-OG1 2.82Å; N224-T227 WeakPolarHBondContact O-CB 3.31Å; N224-T227 PolarHBondContact O-N 2.73Å; Q225-T227 VanDerWaalsContact C-N 3.26Å; Q225-T227 PolarHBondContact O-N 3.04Å; T227-Q229 VanDerWaalsContact C-N 3.34Å; T227-Q229 PolarHBondContact O-N 2.91Å; T227-R230 PolarHBondContact O-N 3.23Å; T227-R230 VanDerWaalsContact O-N 3.14Å; T227-E231 PolarHBondContact O-N 3.06Å
228	L	78	Confident	72.3	Confident	115 Å²	115	118.7 Å²	118.7	60%	0.602	56%	0.559	S	S	*	*	H	α-helix	trans	-60.5	-40.9	176.5	-70.8	169.5	0	0	0	112.2	N224 Q225 E231 A232	N224-L228 WeakPolarHBondContact O-CG 3.49Å; N224-L228 PolarHBondContact O-N 3.23Å; Q225-L228 PolarHBondContact O-N 3.11Å; L228-E231 PolarHBondContact O-N 2.65Å; L228-A232 WeakPolarHBondContact O-CB 3.32Å; L228-A232 PolarHBondContact O-N 3.22Å
229	Q	78.9	Confident	73	Confident	132 Å²	132	120.7 Å²	120.7	62%	0.617	56%	0.562	S	S	*	*	H	α-helix	trans	-63.1	-41.9	173.3	-70.6	178.1	14	0	0	112	Q225 R226 T227 E231 A232 R233	Q225-Q229 WeakPolarHBondContact O-CG 3.15Å; Q225-Q229 PolarHBondContact O-N 3.2Å; R226-Q229 PolarHBondContact O-N 2.91Å; T227-Q229 VanDerWaalsContact C-N 3.34Å; T227-Q229 PolarHBondContact O-N 2.91Å; Q229-E231 VanDerWaalsContact C-N 3.31Å; Q229-E231 PolarHBondContact O-N 3.12Å; Q229-A232 PolarHBondContact O-N 3.05Å; Q229-R233 WeakPolarHBondContact O-CB 3.38Å; Q229-R233 PolarHBondContact O-N 3.03Å
230	R	79.7	Confident	73.5	Confident	165 Å²	165	116.8 Å²	116.8	62%	0.623	55%	0.547	S	S	*	.	H	α-helix	trans	-65.7	-33	177.2	-159.8	174.1	-167.5	176	8.9	111.9	R226 T227 K234	R226-R230 WeakPolarHBondContact O-CB 2.84Å; R226-R230 PolarHBondContact O-N 2.59Å; T227-R230 PolarHBondContact O-N 3.23Å; T227-R230 VanDerWaalsContact O-N 3.14Å; R230-K234 VanDerWaalsContact O-CG 3.27Å; R230-K234 WeakPolarHBondContact O-CG 3.32Å; R230-K234 PolarHBondContact O-N 2.83Å
231	E	81.3	Confident	73.4	Confident	101 Å²	101	121 Å²	121	47%	0.472	56%	0.562	S	S	.	*	H	α-helix	trans	-73.4	-43.2	171.4	-70.3	-164.6	170.2	0	0	113	T227 L228 Q229 R233 K234 K235	T227-E231 PolarHBondContact O-N 3.06Å; L228-E231 PolarHBondContact O-N 2.65Å; Q229-E231 VanDerWaalsContact C-N 3.31Å; Q229-E231 PolarHBondContact O-N 3.12Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 2.99Å; E231-K234 CarbonylContact O-C 3.58Å; E231-K234 WeakPolarHBondContact O-CA 3.19Å; E231-K234 WeakPolarHBondContact O-CB 3.35Å; E231-K234 PolarHBondContact O-N 3.14Å; E231-K234 VanDerWaalsContact O-N 3.08Å; E231-K235 WeakPolarHBondContact O-CG 3.33Å; E231-K235 PolarHBondContact O-N 3.47Å
232	A	80.1	Confident	73.3	Confident	46 Å²	46	116.8 Å²	116.8	38%	0.38	54%	0.544	S	S	.	.	H	α-helix	trans	-60.5	-42.2	175.3	0	0	0	0	0	111.9	L228 Q229 K234 K235 R236	L228-A232 WeakPolarHBondContact O-CB 3.32Å; L228-A232 PolarHBondContact O-N 3.22Å; Q229-A232 PolarHBondContact O-N 3.05Å; A232-K234 VanDerWaalsContact C-N 3.29Å; A232-K234 PolarHBondContact O-N 3.38Å; A232-K235 PolarHBondContact O-N 2.83Å; A232-R236 PolarHBondContact O-N 3.08Å
233	R	79.8	Confident	73.3	Confident	186 Å²	186	120.6 Å²	120.6	70%	0.702	55%	0.551	S	S	*	*	H	α-helix	trans	-65.3	-29.9	174	-164	176.6	-173.6	-165.3	2.4	112.3	Q229 E231 K237	Q229-R233 WeakPolarHBondContact O-CB 3.38Å; Q229-R233 PolarHBondContact O-N 3.03Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 2.99Å; R233-K237 WeakPolarHBondContact O-CB 3.32Å; R233-K237 WeakPolarHBondContact O-CG 3.42Å; R233-K237 PolarHBondContact O-N 3.1Å
234	K	80.5	Confident	73.7	Confident	129 Å²	129	126.1 Å²	126.1	56%	0.561	57%	0.568	S	S	*	*	H	α-helix	trans	-74.4	-37	172	-78	171.7	178.9	179.7	0	112.8	R230 E231 A232 K237 K238	R230-K234 VanDerWaalsContact O-CG 3.27Å; R230-K234 WeakPolarHBondContact O-CG 3.32Å; R230-K234 PolarHBondContact O-N 2.83Å; E231-K234 CarbonylContact O-C 3.58Å; E231-K234 WeakPolarHBondContact O-CA 3.19Å; E231-K234 WeakPolarHBondContact O-CB 3.35Å; E231-K234 PolarHBondContact O-N 3.14Å; E231-K234 VanDerWaalsContact O-N 3.08Å; A232-K234 VanDerWaalsContact C-N 3.29Å; A232-K234 PolarHBondContact O-N 3.38Å; K234-K237 PolarHBondContact O-N 2.82Å; K234-K238 WeakPolarHBondContact O-CG 3.35Å; K234-K238 PolarHBondContact O-N 2.9Å
235	K	77.6	Confident	73.6	Confident	126 Å²	126	128.8 Å²	128.8	55%	0.548	59%	0.586	S	S	.	*	H	α-helix	trans	-63.6	-53.9	174.3	-72.9	174.4	178.7	176	0	110.7	E231 A232 K237 K238 E239	E231-K235 WeakPolarHBondContact O-CG 3.33Å; E231-K235 PolarHBondContact O-N 3.47Å; A232-K235 PolarHBondContact O-N 2.83Å; K235-K237 PolarHBondContact O-N 2.79Å; K235-K237 VanDerWaalsContact O-N 3.08Å; K235-K238 WeakPolarHBondContact O-CA 3.44Å; K235-K238 WeakPolarHBondContact O-CB 3.26Å; K235-K238 PolarHBondContact O-N 2.89Å; K235-E239 WeakPolarHBondContact CB-OE1 3.36Å; K235-E239 PolarHBondContact O-N 3.21Å
236	R	74.4	Confident	73.8	Confident	200 Å²	200	130.5 Å²	130.5	76%	0.755	59%	0.588	S	S	*	*	H	α-helix	trans	-56.9	-25.4	174	-70	-176.3	179.5	-174.9	0.4	115.1	A232 E239	A232-R236 PolarHBondContact O-N 3.08Å; R236-E239 WeakPolarHBondContact CA-OE2 3.09Å
237	K	72.9	Confident	74	Confident	169 Å²	169	125.8 Å²	125.8	74%	0.735	57%	0.572	S	S	*	*	H	α-helix	trans	-84.3	-16	173.2	-84.6	-164.5	171.6	-162	0	114.4	R233 K234 K235	R233-K237 WeakPolarHBondContact O-CB 3.32Å; R233-K237 WeakPolarHBondContact O-CG 3.42Å; R233-K237 PolarHBondContact O-N 3.1Å; K234-K237 PolarHBondContact O-N 2.82Å; K235-K237 PolarHBondContact O-N 2.79Å; K235-K237 VanDerWaalsContact O-N 3.08Å
238	K	69.3	Low	74.1	Confident	176 Å²	176	127 Å²	127	77%	0.765	57%	0.573	S	S	*	*	H	α-helix	trans	-93.6	-24.8	173.7	-73.6	-178.3	172.2	-164.6	0	112.4	K234 K235 L240	K234-K238 WeakPolarHBondContact O-CG 3.35Å; K234-K238 PolarHBondContact O-N 2.9Å; K235-K238 WeakPolarHBondContact O-CA 3.44Å; K235-K238 WeakPolarHBondContact O-CB 3.26Å; K235-K238 PolarHBondContact O-N 2.89Å; K238-L240 VanDerWaalsContact C-N 3.33Å; K238-L240 PolarHBondContact O-N 2.72Å
239	E	67.4	Low	74.4	Confident	110 Å²	110	128 Å²	128	51%	0.514	57%	0.572	S	S	.	*			trans	-68.1	85.6	168.8	-70.9	147.8	-143.1	0	0	109.7	K235 R236 M241	K235-E239 WeakPolarHBondContact CB-OE1 3.36Å; K235-E239 PolarHBondContact O-N 3.21Å; R236-E239 WeakPolarHBondContact CA-OE2 3.09Å; E239-M241 PolarHBondContact O-N 3.34Å
240	L	64.8	Low	74.6	Confident	109 Å²	109	124.7 Å²	124.7	57%	0.571	56%	0.559	S	S	*	*			trans	-67.5	103	167.2	-94	68.5	0	0	0	108.8	K238 N242 F243	K238-L240 VanDerWaalsContact C-N 3.33Å; K238-L240 PolarHBondContact O-N 2.72Å; L240-N242 PolarHBondContact O-N 2.92Å; L240-F243 HydrophobicContact CB-CB 4.01Å; L240-F243 HydrophobicContact CD2-CD2 3.81Å; L240-F243 HydrophobicContact CD2-CE2 4.35Å; L240-F243 PolarHBondContact O-N 3.42Å
241	M	61.7	Low	74.8	Confident	157 Å²	157	119.7 Å²	119.7	77%	0.773	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	132.4	171.6	-128.5	65.2	163.4	0	0	109.8	E239 F243	E239-M241 PolarHBondContact O-N 3.34Å; M241-F243 VanDerWaalsContact C-N 3.31Å; M241-F243 PolarHBondContact O-N 2.91Å
242	N	64.1	Low	75.1	Confident	67 Å²	67	120.6 Å²	120.6	36%	0.358	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	62.6	22.3	176.1	-50.7	-41.2	0	0	0	116.6	L240 Y244	L240-N242 PolarHBondContact O-N 2.92Å; N242-Y244 VanDerWaalsContact C-N 3.28Å; N242-Y244 PolarHBondContact O-N 3.07Å
243	F	66	Low	75.6	Confident	135 Å²	135	125.1 Å²	125.1	59%	0.592	56%	0.562	S	S	*	*			trans	-63	-31.5	175.1	-170.8	-105.1	0	0	0	113.7	L240 M241	L240-F243 HydrophobicContact CB-CB 4.01Å; L240-F243 HydrophobicContact CD2-CD2 3.81Å; L240-F243 HydrophobicContact CD2-CE2 4.35Å; L240-F243 PolarHBondContact O-N 3.42Å; M241-F243 VanDerWaalsContact C-N 3.31Å; M241-F243 PolarHBondContact O-N 2.91Å
244	Y	75.6	Confident	76	Confident	137 Å²	137	121.5 Å²	121.5	54%	0.537	55%	0.553	S	S	.	*	S	Bend	trans	-107.8	140.6	-179	-65.8	-73.8	0	0	0	112.6	N242 W246 Q247	N242-Y244 VanDerWaalsContact C-N 3.28Å; N242-Y244 PolarHBondContact O-N 3.07Å; Y244-W246 VanDerWaalsContact CB-CD1 3.45Å; Y244-W246 AromaticContact CG-NE1 3.86Å; Y244-W246 PolarHBondContact O-N 3.03Å; Y244-W246 VanDerWaalsContact O-N 3.09Å; Y244-Q247 WeakPolarHBondContact O-CB 3.33Å; Y244-Q247 PolarHBondContact O-N 3.29Å
245	T	70.7	Confident	76.5	Confident	114 Å²	114	120.4 Å²	120.4	70%	0.699	55%	0.55	S	S	*	.	H	α-helix	trans	-59.2	-24.6	179.9	57.2	0	0	0	0	114	K249	T245-K249 WeakPolarHBondContact O-CG 3.49Å; T245-K249 PolarHBondContact O-N 2.89Å
246	W	79.4	Confident	77.2	Confident	153 Å²	153	118.5 Å²	118.5	58%	0.58	55%	0.545	S	S	*	.	H	α-helix	trans	-71.3	-30.8	173.4	74.7	-100.4	0	0	0	112.7	Y244 K249 N250	Y244-W246 VanDerWaalsContact CB-CD1 3.45Å; Y244-W246 AromaticContact CG-NE1 3.86Å; Y244-W246 PolarHBondContact O-N 3.03Å; Y244-W246 VanDerWaalsContact O-N 3.09Å; W246-K249 PolarHBondContact O-N 3.26Å; W246-N250 PolarHBondContact O-N 3.16Å
247	Q	76.7	Confident	78.1	Confident	47 Å²	47	111.6 Å²	111.6	22%	0.22	53%	0.531	C	S	.	.	H	α-helix	trans	-67.4	-43.7	177.3	-62.9	173	-56.5	0	0	110.5	Y244 K249 N250 T251	Y244-Q247 WeakPolarHBondContact O-CB 3.33Å; Y244-Q247 PolarHBondContact O-N 3.29Å; Q247-K249 VanDerWaalsContact C-N 3.32Å; Q247-K249 PolarHBondContact O-N 2.98Å; Q247-N250 PolarHBondContact O-N 3.38Å; Q247-N250 VanDerWaalsContact O-N 3.12Å; Q247-T251 PolarHBondContact O-N 3.23Å; Q247-T251 PolarHBondContact O-OG1 3.47Å; Q247-T251 VanDerWaalsContact O-OG1 3.12Å
248	H	77.1	Confident	79.1	Confident	93 Å²	93	107.4 Å²	107.4	43%	0.431	51%	0.514	S	S	.	.	H	α-helix	trans	-57.3	-42.7	170.5	-82.5	-68.4	0	0	0	112.4	N250 T251 Q252	H248-N250 VanDerWaalsContact C-N 3.31Å; H248-N250 PolarHBondContact O-N 2.9Å; H248-T251 PolarHBondContact O-OG1 3.05Å; H248-Q252 WeakPolarHBondContact O-CB 3.47Å; H248-Q252 VanDerWaalsContact O-CG 3.24Å; H248-Q252 WeakPolarHBondContact O-CG 3.4Å; H248-Q252 PolarHBondContact O-N 2.82Å; H248-Q252 VanDerWaalsContact O-N 3.09Å
249	K	83.6	Confident	80.2	Confident	135 Å²	135	103.2 Å²	103.2	59%	0.587	50%	0.499	S	S	*	.	H	α-helix	trans	-66.7	-30.9	175.8	-71.5	177.4	179.4	-178.5	0	112.6	T245 W246 Q247 K253	T245-K249 WeakPolarHBondContact O-CG 3.49Å; T245-K249 PolarHBondContact O-N 2.89Å; W246-K249 PolarHBondContact O-N 3.26Å; Q247-K249 VanDerWaalsContact C-N 3.32Å; Q247-K249 PolarHBondContact O-N 2.98Å; K249-K253 VanDerWaalsContact O-CG 3.28Å; K249-K253 WeakPolarHBondContact O-CG 3.18Å; K249-K253 PolarHBondContact O-N 3.2Å
250	N	84.1	Confident	81.5	Confident	64 Å²	64	106.2 Å²	106.2	34%	0.342	51%	0.506	S	S	.	.	H	α-helix	trans	-77.7	-45.3	178.5	-132.5	65.7	0	0	0	112.2	W246 Q247 H248 Q252 K253 E254	W246-N250 PolarHBondContact O-N 3.16Å; Q247-N250 PolarHBondContact O-N 3.38Å; Q247-N250 VanDerWaalsContact O-N 3.12Å; H248-N250 VanDerWaalsContact C-N 3.31Å; H248-N250 PolarHBondContact O-N 2.9Å; N250-Q252 VanDerWaalsContact C-N 3.29Å; N250-Q252 PolarHBondContact O-N 3.19Å; N250-K253 WeakPolarHBondContact O-CB 3.28Å; N250-K253 PolarHBondContact O-N 2.94Å; N250-E254 PolarHBondContact ND2-OE1 3.5Å; N250-E254 WeakPolarHBondContact O-CB 3.24Å; N250-E254 WeakPolarHBondContact O-CG 3.42Å; N250-E254 PolarHBondContact O-N 3.43Å
251	T	84.4	Confident	82.9	Confident	59 Å²	59	107.8 Å²	107.8	36%	0.362	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-35.9	175.9	52.4	0	0	0	0	112	Q247 H248 H255	Q247-T251 PolarHBondContact O-N 3.23Å; Q247-T251 PolarHBondContact O-OG1 3.47Å; Q247-T251 VanDerWaalsContact O-OG1 3.12Å; H248-T251 PolarHBondContact O-OG1 3.05Å; T251-H255 WeakPolarHBondContact O-CB 3.34Å; T251-H255 PolarHBondContact O-N 3.04Å
252	Q	86.2	Confident	84.4	Confident	120 Å²	120	104.2 Å²	104.2	56%	0.561	48%	0.484	S	S	*	.	H	α-helix	trans	-63	-44.4	169.6	-75	174.5	-11.2	0	0	112.7	H248 N250 H255 I256	H248-Q252 WeakPolarHBondContact O-CB 3.47Å; H248-Q252 VanDerWaalsContact O-CG 3.24Å; H248-Q252 WeakPolarHBondContact O-CG 3.4Å; H248-Q252 PolarHBondContact O-N 2.82Å; H248-Q252 VanDerWaalsContact O-N 3.09Å; N250-Q252 VanDerWaalsContact C-N 3.29Å; N250-Q252 PolarHBondContact O-N 3.19Å; Q252-H255 PolarHBondContact O-N 3.49Å; Q252-I256 WeakPolarHBondContact O-CB 3.37Å; Q252-I256 WeakPolarHBondContact O-CD1 3.44Å; Q252-I256 VanDerWaalsContact O-CG1 3.22Å; Q252-I256 WeakPolarHBondContact O-CG1 3.1Å; Q252-I256 PolarHBondContact O-N 3.27Å
253	K	90.9	Very high	85.9	Confident	142 Å²	142	108.1 Å²	108.1	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-62.2	-44.6	175.4	-79.1	173.1	177	-175.8	0	112.3	K249 N250 I256 A257	K249-K253 VanDerWaalsContact O-CG 3.28Å; K249-K253 WeakPolarHBondContact O-CG 3.18Å; K249-K253 PolarHBondContact O-N 3.2Å; N250-K253 WeakPolarHBondContact O-CB 3.28Å; N250-K253 PolarHBondContact O-N 2.94Å; K253-I256 PolarHBondContact O-N 3.43Å; K253-A257 WeakPolarHBondContact O-CB 3.43Å; K253-A257 PolarHBondContact O-N 2.85Å
254	E	89.5	Confident	87.1	Confident	110 Å²	110	107.2 Å²	107.2	51%	0.514	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-44.7	178.3	-73.5	161	-159.7	0	0	110.8	N250 A257 E258	N250-E254 PolarHBondContact ND2-OE1 3.5Å; N250-E254 WeakPolarHBondContact O-CB 3.24Å; N250-E254 WeakPolarHBondContact O-CG 3.42Å; N250-E254 PolarHBondContact O-N 3.43Å; E254-A257 PolarHBondContact O-N 2.83Å; E254-E258 WeakPolarHBondContact O-CB 3.43Å; E254-E258 PolarHBondContact O-N 2.85Å
255	H	89.9	Confident	87.9	Confident	105 Å²	105	104 Å²	104	49%	0.486	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-40.6	175.9	-171.7	53.3	0	0	0	112.6	T251 Q252 A257 E258 L259	T251-H255 WeakPolarHBondContact O-CB 3.34Å; T251-H255 PolarHBondContact O-N 3.04Å; Q252-H255 PolarHBondContact O-N 3.49Å; H255-A257 VanDerWaalsContact C-N 3.32Å; H255-A257 PolarHBondContact O-N 2.84Å; H255-E258 IonicContact ND1-OE2 3.82Å; H255-E258 PolarHBondContact O-N 2.76Å; H255-L259 WeakPolarHBondContact O-CB 3.48Å; H255-L259 WeakPolarHBondContact O-CG 3.45Å; H255-L259 PolarHBondContact O-N 2.77Å
256	I	92.9	Very high	89	Confident	86 Å²	86	101.9 Å²	101.9	44%	0.441	47%	0.47	S	S	.	.	H	α-helix	trans	-63.2	-38.2	173.5	-69.8	164.8	0	0	0	111.3	Q252 K253 R260	Q252-I256 WeakPolarHBondContact O-CB 3.37Å; Q252-I256 WeakPolarHBondContact O-CD1 3.44Å; Q252-I256 VanDerWaalsContact O-CG1 3.22Å; Q252-I256 WeakPolarHBondContact O-CG1 3.1Å; Q252-I256 PolarHBondContact O-N 3.27Å; K253-I256 PolarHBondContact O-N 3.43Å; I256-R260 VanDerWaalsContact O-CG 3.3Å; I256-R260 WeakPolarHBondContact O-CG 3.44Å; I256-R260 PolarHBondContact O-N 2.82Å
257	A	92.7	Very high	89.6	Confident	56 Å²	56	101.4 Å²	101.4	46%	0.463	47%	0.473	S	S	.	.	H	α-helix	trans	-67.6	-40.8	175.1	0	0	0	0	0	111.9	K253 E254 H255 R260 R261	K253-A257 WeakPolarHBondContact O-CB 3.43Å; K253-A257 PolarHBondContact O-N 2.85Å; E254-A257 PolarHBondContact O-N 2.83Å; H255-A257 VanDerWaalsContact C-N 3.32Å; H255-A257 PolarHBondContact O-N 2.84Å; A257-R260 PolarHBondContact O-N 2.77Å; A257-R261 PolarHBondContact O-N 3.31Å
258	E	93.4	Very high	90.2	Very high	80 Å²	80	105.2 Å²	105.2	37%	0.374	49%	0.49	S	S	.	.	H	α-helix	trans	-63.9	-42	176	-160	-157.8	-177.3	0	0	112	E254 H255 R261 K262	E254-E258 WeakPolarHBondContact O-CB 3.43Å; E254-E258 PolarHBondContact O-N 2.85Å; H255-E258 IonicContact ND1-OE2 3.82Å; H255-E258 PolarHBondContact O-N 2.76Å; E258-R261 PolarHBondContact O-N 3.11Å; E258-K262 WeakPolarHBondContact O-CG 3.35Å; E258-K262 PolarHBondContact O-N 3.45Å; E258-K262 WeakPolarHBondContact OE1-CE 3.29Å; E258-K262 IonicContact OE1-NZ 2.66Å; E258-K262 PolarHBondContact OE1-NZ 2.77Å; E258-K262 IonicContact OE2-NZ 3.21Å; E258-K262 PolarHBondContact OE2-NZ 3.2Å
259	L	93.8	Very high	90.8	Very high	89 Å²	89	107 Å²	107	47%	0.466	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-41	174.2	-73	170.7	0	0	0	112.1	H255 K262 F263	H255-L259 WeakPolarHBondContact O-CB 3.48Å; H255-L259 WeakPolarHBondContact O-CG 3.45Å; H255-L259 PolarHBondContact O-N 2.77Å; L259-K262 PolarHBondContact O-N 3.19Å; L259-F263 WeakPolarHBondContact O-CB 3.44Å; L259-F263 PolarHBondContact O-N 3.06Å
260	R	93.1	Very high	90.9	Very high	172 Å²	172	104.8 Å²	104.8	65%	0.649	49%	0.487	S	S	*	.	H	α-helix	trans	-61.8	-44.5	173.3	-73.5	170.4	-178.3	-167.5	-0.4	111.7	I256 A257 K262 F263 E264	I256-R260 VanDerWaalsContact O-CG 3.3Å; I256-R260 WeakPolarHBondContact O-CG 3.44Å; I256-R260 PolarHBondContact O-N 2.82Å; A257-R260 PolarHBondContact O-N 2.77Å; R260-K262 PolarHBondContact O-N 3.48Å; R260-F263 PolarHBondContact O-N 3.18Å; R260-E264 PolarHBondContact O-N 3.27Å
261	R	94.1	Very high	91	Very high	142 Å²	142	104.4 Å²	104.4	54%	0.536	49%	0.493	S	S	.	.	H	α-helix	trans	-60.3	-46.8	177.8	-150.6	-162.5	83.1	-162.1	3	111.7	A257 E258 F263 E264 E265	A257-R261 PolarHBondContact O-N 3.31Å; E258-R261 PolarHBondContact O-N 3.11Å; R261-F263 VanDerWaalsContact C-N 3.35Å; R261-F263 PolarHBondContact O-N 3.2Å; R261-E264 PolarHBondContact O-N 3.39Å; R261-E265 IonicContact CZ-OE1 3.82Å; R261-E265 IonicContact NE-OE1 2.59Å; R261-E265 PolarHBondContact NE-OE1 2.91Å; R261-E265 IonicContact NH2-OE1 2.73Å; R261-E265 PolarHBondContact NH2-OE1 3.24Å; R261-E265 IonicContact NH2-OE2 3.9Å; R261-E265 WeakPolarHBondContact O-CG 3.45Å; R261-E265 PolarHBondContact O-N 2.62Å
262	K	94.6	Very high	91.1	Very high	82 Å²	82	107 Å²	107	36%	0.357	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-40.3	175.6	-71	170.3	-175.7	167.4	0	112	E258 L259 R260 E264 E265 D266	E258-K262 WeakPolarHBondContact O-CG 3.35Å; E258-K262 PolarHBondContact O-N 3.45Å; E258-K262 WeakPolarHBondContact OE1-CE 3.29Å; E258-K262 IonicContact OE1-NZ 2.66Å; E258-K262 PolarHBondContact OE1-NZ 2.77Å; E258-K262 IonicContact OE2-NZ 3.21Å; E258-K262 PolarHBondContact OE2-NZ 3.2Å; L259-K262 PolarHBondContact O-N 3.19Å; R260-K262 PolarHBondContact O-N 3.48Å; K262-E264 PolarHBondContact O-N 3.01Å; K262-E265 PolarHBondContact O-N 2.77Å; K262-D266 PolarHBondContact O-N 2.81Å
263	F	95.1	Very high	90.9	Very high	149 Å²	149	105.6 Å²	105.6	65%	0.654	50%	0.498	S	S	*	.	H	α-helix	trans	-65.3	-36.1	175.8	-173	-97.7	0	0	0	112.9	L259 R260 R261 K267	L259-F263 WeakPolarHBondContact O-CB 3.44Å; L259-F263 PolarHBondContact O-N 3.06Å; R260-F263 PolarHBondContact O-N 3.18Å; R261-F263 VanDerWaalsContact C-N 3.35Å; R261-F263 PolarHBondContact O-N 3.2Å; F263-K267 WeakPolarHBondContact O-CB 3.36Å; F263-K267 PolarHBondContact O-N 2.91Å
264	E	91.4	Very high	90.4	Very high	116 Å²	116	107.8 Å²	107.8	54%	0.542	50%	0.503	S	S	.	.	H	α-helix	trans	-69	-42.6	172.9	-73	177.3	-178.1	0	0	112.2	R260 R261 K262 K267 Q268	R260-E264 PolarHBondContact O-N 3.27Å; R261-E264 PolarHBondContact O-N 3.39Å; K262-E264 PolarHBondContact O-N 3.01Å; E264-K267 PolarHBondContact O-N 3.36Å; E264-Q268 VanDerWaalsContact O-CG 3.28Å; E264-Q268 WeakPolarHBondContact O-CG 3.4Å; E264-Q268 PolarHBondContact O-N 2.64Å
265	E	92.4	Very high	90	Very high	69 Å²	69	105.5 Å²	105.5	32%	0.322	50%	0.502	S	S	.	.	H	α-helix	trans	-57.4	-47	172.6	-72.2	168.4	-152.5	0	0	111.8	R261 K262 Q268 R269	R261-E265 IonicContact CZ-OE1 3.82Å; R261-E265 IonicContact NE-OE1 2.59Å; R261-E265 PolarHBondContact NE-OE1 2.91Å; R261-E265 IonicContact NH2-OE1 2.73Å; R261-E265 PolarHBondContact NH2-OE1 3.24Å; R261-E265 IonicContact NH2-OE2 3.9Å; R261-E265 WeakPolarHBondContact O-CG 3.45Å; R261-E265 PolarHBondContact O-N 2.62Å; K262-E265 PolarHBondContact O-N 2.77Å; E265-Q268 PolarHBondContact O-N 3.34Å; E265-R269 WeakPolarHBondContact O-CB 3.48Å; E265-R269 PolarHBondContact O-N 3.14Å
266	D	92.7	Very high	89.4	Confident	70 Å²	70	108 Å²	108	37%	0.374	51%	0.514	S	S	.	.	H	α-helix	trans	-70	-35.2	177.5	-86	-42.3	0	0	0	113	K262 Q268 R269 I270	K262-D266 PolarHBondContact O-N 2.81Å; D266-Q268 VanDerWaalsContact C-N 3.32Å; D266-Q268 PolarHBondContact O-N 2.97Å; D266-R269 PolarHBondContact O-N 3.48Å; D266-R269 IonicContact OD1-CZ 3.63Å; D266-R269 IonicContact OD1-NE 3.96Å; D266-R269 IonicContact OD1-NH1 2.67Å; D266-R269 PolarHBondContact OD1-NH1 2.76Å; D266-I270 WeakPolarHBondContact O-CB 3.49Å; D266-I270 VanDerWaalsContact O-CG1 3.27Å; D266-I270 WeakPolarHBondContact O-CG1 3.19Å; D266-I270 PolarHBondContact O-N 3.41Å
267	K	93.3	Very high	88.4	Confident	144 Å²	144	113.7 Å²	113.7	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-62	-40.4	172.6	-175.3	-179.9	179	-175.3	0	111.4	F263 E264 A271	F263-K267 WeakPolarHBondContact O-CB 3.36Å; F263-K267 PolarHBondContact O-N 2.91Å; E264-K267 PolarHBondContact O-N 3.36Å; K267-A271 WeakPolarHBondContact O-CB 3.48Å; K267-A271 PolarHBondContact O-N 2.92Å
268	Q	89.4	Confident	87.4	Confident	127 Å²	127	118.9 Å²	118.9	59%	0.593	54%	0.542	S	S	*	.	H	α-helix	trans	-65.9	-46.1	172.9	-69	171.1	26.1	0	0	111.4	E264 E265 D266 I270 A271 L272	E264-Q268 VanDerWaalsContact O-CG 3.28Å; E264-Q268 WeakPolarHBondContact O-CG 3.4Å; E264-Q268 PolarHBondContact O-N 2.64Å; E265-Q268 PolarHBondContact O-N 3.34Å; D266-Q268 VanDerWaalsContact C-N 3.32Å; D266-Q268 PolarHBondContact O-N 2.97Å; Q268-I270 PolarHBondContact O-N 2.83Å; Q268-A271 WeakPolarHBondContact O-CB 3.02Å; Q268-A271 PolarHBondContact O-N 2.91Å; Q268-A271 VanDerWaalsContact O-N 3.14Å; Q268-L272 WeakPolarHBondContact O-CG 3.33Å; Q268-L272 PolarHBondContact O-N 2.83Å
269	R	88.4	Confident	86.2	Confident	131 Å²	131	123.8 Å²	123.8	49%	0.494	56%	0.563	S	S	.	*	H	α-helix	trans	-57.2	-44.6	176.7	-174.2	179.2	-73.2	146.1	-4	112.2	E265 D266 L272 M273	E265-R269 WeakPolarHBondContact O-CB 3.48Å; E265-R269 PolarHBondContact O-N 3.14Å; D266-R269 PolarHBondContact O-N 3.48Å; D266-R269 IonicContact OD1-CZ 3.63Å; D266-R269 IonicContact OD1-NE 3.96Å; D266-R269 IonicContact OD1-NH1 2.67Å; D266-R269 PolarHBondContact OD1-NH1 2.76Å; R269-L272 PolarHBondContact O-N 2.82Å; R269-M273 HydrophobicContact CG-CE 4.48Å; R269-M273 PolarHBondContact O-N 3.45Å
270	I	86.7	Confident	85.1	Confident	88 Å²	88	127.9 Å²	127.9	45%	0.451	58%	0.577	S	S	.	*	H	α-helix	trans	-67.8	-38.1	175.9	-68.5	165.7	0	0	0	111.3	D266 Q268 M273 R274	D266-I270 WeakPolarHBondContact O-CB 3.49Å; D266-I270 VanDerWaalsContact O-CG1 3.27Å; D266-I270 WeakPolarHBondContact O-CG1 3.19Å; D266-I270 PolarHBondContact O-N 3.41Å; Q268-I270 PolarHBondContact O-N 2.83Å; I270-M273 PolarHBondContact O-N 2.67Å; I270-R274 HydrophobicContact CG2-CG 4.43Å; I270-R274 WeakPolarHBondContact O-CB 3.1Å; I270-R274 WeakPolarHBondContact O-CG 3.37Å; I270-R274 PolarHBondContact O-N 3.03Å
271	A	86.4	Confident	83.9	Confident	56 Å²	56	124 Å²	124	46%	0.463	57%	0.574	S	S	.	*	H	α-helix	trans	-63.1	-42.2	175	0	0	0	0	0	111.9	K267 Q268 R274 A275	K267-A271 WeakPolarHBondContact O-CB 3.48Å; K267-A271 PolarHBondContact O-N 2.92Å; Q268-A271 WeakPolarHBondContact O-CB 3.02Å; Q268-A271 PolarHBondContact O-N 2.91Å; Q268-A271 VanDerWaalsContact O-N 3.14Å; A271-R274 PolarHBondContact O-N 3.05Å; A271-A275 WeakPolarHBondContact O-CB 3.09Å; A271-A275 PolarHBondContact O-N 2.87Å
272	L	85.3	Confident	82.1	Confident	112 Å²	112	130.9 Å²	130.9	59%	0.586	60%	0.602	S	S	*	*	H	α-helix	trans	-62.8	-47.1	174.3	-69.4	170.4	0	0	0	111.8	Q268 R269 R274 A275 Q276	Q268-L272 WeakPolarHBondContact O-CG 3.33Å; Q268-L272 PolarHBondContact O-N 2.83Å; R269-L272 PolarHBondContact O-N 2.82Å; L272-R274 VanDerWaalsContact C-N 3.32Å; L272-R274 PolarHBondContact O-N 3.13Å; L272-A275 PolarHBondContact O-N 3.35Å; L272-Q276 WeakPolarHBondContact O-CG 3.31Å; L272-Q276 PolarHBondContact O-N 3.45Å
273	M	82.4	Confident	81.4	Confident	92 Å²	92	133.3 Å²	133.3	45%	0.453	61%	0.614	S	S	.	*	H	α-helix	trans	-60	-40	174.5	-72.8	-170.2	-175.9	0	0	112.4	R269 I270 Q276 R277	R269-M273 HydrophobicContact CG-CE 4.48Å; R269-M273 PolarHBondContact O-N 3.45Å; I270-M273 PolarHBondContact O-N 2.67Å; M273-Q276 PolarHBondContact O-N 3.32Å; M273-R277 WeakPolarHBondContact O-CB 3.48Å; M273-R277 VanDerWaalsContact O-CG 3.25Å; M273-R277 WeakPolarHBondContact O-CG 3.38Å; M273-R277 PolarHBondContact O-N 2.79Å
274	R	80.6	Confident	80.7	Confident	188 Å²	188	132.5 Å²	132.5	71%	0.709	61%	0.612	S	S	*	*	H	α-helix	trans	-67.4	-36	176	-76.2	179.1	176.6	-164	-1.1	112.3	I270 A271 L272 R277 K278	I270-R274 HydrophobicContact CG2-CG 4.43Å; I270-R274 WeakPolarHBondContact O-CB 3.1Å; I270-R274 WeakPolarHBondContact O-CG 3.37Å; I270-R274 PolarHBondContact O-N 3.03Å; A271-R274 PolarHBondContact O-N 3.05Å; L272-R274 VanDerWaalsContact C-N 3.32Å; L272-R274 PolarHBondContact O-N 3.13Å; R274-R277 PolarHBondContact O-N 2.89Å; R274-K278 PolarHBondContact O-N 2.97Å
275	A	80.4	Confident	80.1	Confident	61 Å²	61	133.4 Å²	133.4	50%	0.504	62%	0.616	S	S	.	*	H	α-helix	trans	-67.8	-42.8	174.8	0	0	0	0	0	111.9	A271 L272 R277 K278	A271-A275 WeakPolarHBondContact O-CB 3.09Å; A271-A275 PolarHBondContact O-N 2.87Å; L272-A275 PolarHBondContact O-N 3.35Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 3.48Å; A275-K278 PolarHBondContact O-N 3.05Å
276	Q	77.9	Confident	79.4	Confident	159 Å²	159	137.2 Å²	137.2	74%	0.743	63%	0.633	S	S	*	*	H	α-helix	trans	-64.6	-32.4	174.6	-71.3	171.3	-14.1	0	0	112.7	L272 M273 K278	L272-Q276 WeakPolarHBondContact O-CG 3.31Å; L272-Q276 PolarHBondContact O-N 3.45Å; M273-Q276 PolarHBondContact O-N 3.32Å; Q276-K278 VanDerWaalsContact C-N 3.34Å
277	R	72.9	Confident	78.6	Confident	205 Å²	205	141.4 Å²	141.4	77%	0.774	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	3.1	176.7	-69.4	176.7	-175.2	-167.5	2.2	114.5	M273 R274 A275 F279	M273-R277 WeakPolarHBondContact O-CB 3.48Å; M273-R277 VanDerWaalsContact O-CG 3.25Å; M273-R277 WeakPolarHBondContact O-CG 3.38Å; M273-R277 PolarHBondContact O-N 2.79Å; R274-R277 PolarHBondContact O-N 2.89Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 3.48Å; R277-F279 PolarHBondContact O-N 2.85Å; R277-F279 VanDerWaalsContact O-N 3.16Å
278	K	70.4	Confident	77.6	Confident	164 Å²	164	141.2 Å²	141.2	71%	0.713	65%	0.651	S	S	*	*			trans	-74.9	103.3	170.6	-81.2	-174.9	173.8	-172	0	109.8	R274 A275 Q276 K280	R274-K278 PolarHBondContact O-N 2.97Å; A275-K278 PolarHBondContact O-N 3.05Å; Q276-K278 VanDerWaalsContact C-N 3.34Å; K278-K280 PolarHBondContact O-N 3.21Å
279	F	67.9	Low	76.7	Confident	183 Å²	183	142.2 Å²	142.2	80%	0.803	66%	0.655	S	S	*	*			trans	-52.9	131.5	170.2	-174.3	-112.7	0	0	0	110.7	R277 P281	R277-F279 PolarHBondContact O-N 2.85Å; R277-F279 VanDerWaalsContact O-N 3.16Å; F279-P281 HydrophobicContact CD1-CB 4.27Å; F279-P281 HydrophobicContact CE1-CB 3.92Å
280	K	71.5	Confident	75.8	Confident	175 Å²	175	143.1 Å²	143.1	76%	0.761	67%	0.667	S	S	*	*			trans	-107.7	111.5	175.1	-68.6	-179.5	178.2	-178.1	0	108	K278 Y282	K278-K280 PolarHBondContact O-N 3.21Å; K280-Y282 VanDerWaalsContact C-N 3.26Å; K280-Y282 PolarHBondContact O-N 3.49Å
281	P	67.1	Low	74.9	Confident	91 Å²	91	147.7 Å²	147.7	59%	0.591	69%	0.685	S	S	*	*			trans	-90.9	30.6	-177.3	37	-36.5	0	0	0	113.5	F279	F279-P281 HydrophobicContact CD1-CB 4.27Å; F279-P281 HydrophobicContact CE1-CB 3.92Å
282	Y	56.4	Low	73.9	Confident	286 Å²	286	156 Å²	156	100%	1.122	71%	0.705	S	S	*	*			trans	-152.3	0	169.2	-64.8	-67.5	0	0	0	108.6	K280	K280-Y282 VanDerWaalsContact C-N 3.26Å; K280-Y282 PolarHBondContact O-N 3.49Å

Retrieved 282 of 282 residues in 397.2 ms (Link to these results)

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