A0A077Z929_TRITR Loading...

ATP synthase subunit alpha

Produces ATP from ADP in the presence of a proton gradient across the membrane.

AlphaFold DB , UniProt , Accession A0A077Z929, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 528 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	42	Very low	74	Confident	244 Å²	244	116.6 Å²	116.6	100%	1.202	61%	0.614	S	S	*	*				0	118.2	0	-142.2	167.3	-160.6	0	0	106.7	L3	M1-L3 PolarHBondContact O-N 3.45Å
2	Q	51.7	Low	75	Confident	176 Å²	176	114.3 Å²	114.3	82%	0.822	60%	0.6	S	S	*	*			trans	-64.8	125.9	-180	-78.6	169.5	-22.9	0	0	109	N4	Q2-N4 PolarHBondContact O-N 3.4Å
3	L	54.5	Low	75.9	Confident	152 Å²	152	116.9 Å²	116.9	80%	0.796	60%	0.604	S	S	*	*			trans	-68.6	94.4	170.9	-80	144.2	0	0	0	108.4	M1 S5 I8	M1-L3 PolarHBondContact O-N 3.45Å; L3-S5 PolarHBondContact O-N 3.45Å; L3-I8 HydrophobicContact CD2-CD1 3.75Å
4	N	74.2	Confident	76.8	Confident	72 Å²	72	117.1 Å²	117.1	39%	0.385	60%	0.6	S	S	.	*			trans	-72.9	109.3	169.6	-81.5	-22.6	0	0	0	108.8	Q2 T6 E7 I8	Q2-N4 PolarHBondContact O-N 3.4Å; N4-T6 PolarHBondContact O-N 3.4Å; N4-T6 VanDerWaalsContact O-N 3.13Å; N4-E7 HydrophobicContact CB-CB 4.34Å; N4-E7 HydrophobicContact CB-CG 4.01Å; N4-E7 PolarHBondContact ND2-OE1 3.16Å; N4-E7 PolarHBondContact O-N 3.11Å; N4-E7 VanDerWaalsContact O-N 3.13Å; N4-I8 PolarHBondContact O-N 2.72Å
5	S	83.1	Confident	77.3	Confident	87 Å²	87	120 Å²	120	61%	0.608	60%	0.601	S	S	*	*	H	α-helix	trans	-58.1	-26.5	178.8	55.9	0	0	0	0	113.2	L3 S9	L3-S5 PolarHBondContact O-N 3.45Å; S5-S9 WeakPolarHBondContact O-CB 3.31Å; S5-S9 PolarHBondContact O-N 3.47Å; S5-S9 VanDerWaalsContact O-N 3.11Å; S5-S9 PolarHBondContact O-OG 2.93Å
6	T	85.4	Confident	77.9	Confident	87 Å²	87	120.1 Å²	120.1	53%	0.534	60%	0.602	S	S	.	*	H	α-helix	trans	-64.9	-46.2	175.4	43.3	0	0	0	0	112.1	N4 I8 S9 E10	N4-T6 PolarHBondContact O-N 3.4Å; N4-T6 VanDerWaalsContact O-N 3.13Å; T6-I8 PolarHBondContact O-N 2.86Å; T6-S9 PolarHBondContact O-N 2.9Å; T6-E10 WeakPolarHBondContact O-CG 3.27Å; T6-E10 PolarHBondContact O-N 2.9Å
7	E	82.9	Confident	78.3	Confident	116 Å²	116	118.2 Å²	118.2	54%	0.542	61%	0.609	S	S	.	*	H	α-helix	trans	-63.3	-44.6	-179.7	-71.4	169.8	-155.1	0	0	111.8	N4 S9 E10 L11	N4-E7 HydrophobicContact CB-CB 4.34Å; N4-E7 HydrophobicContact CB-CG 4.01Å; N4-E7 PolarHBondContact ND2-OE1 3.16Å; N4-E7 PolarHBondContact O-N 3.11Å; N4-E7 VanDerWaalsContact O-N 3.13Å; E7-S9 VanDerWaalsContact C-N 3.33Å; E7-S9 PolarHBondContact O-N 3.43Å; E7-E10 PolarHBondContact O-N 3.44Å; E7-L11 WeakPolarHBondContact O-CB 3.4Å; E7-L11 PolarHBondContact O-N 2.88Å
8	I	82.2	Confident	78.8	Confident	80 Å²	80	119.9 Å²	119.9	41%	0.41	61%	0.614	S	S	.	*	H	α-helix	trans	-62.7	-43.1	176.5	-63.7	171.2	0	0	0	110.5	L3 N4 T6 L11 I12	L3-I8 HydrophobicContact CD2-CD1 3.75Å; N4-I8 PolarHBondContact O-N 2.72Å; T6-I8 PolarHBondContact O-N 2.86Å; I8-L11 PolarHBondContact O-N 2.89Å; I8-I12 HydrophobicContact CG2-CD1 3.85Å; I8-I12 WeakPolarHBondContact O-CG1 3.48Å; I8-I12 PolarHBondContact O-N 3.49Å
9	S	86.1	Confident	78.9	Confident	61 Å²	61	121.4 Å²	121.4	43%	0.427	62%	0.616	S	S	.	*	H	α-helix	trans	-64.6	-40.5	179.6	-61.9	0	0	0	0	111.8	S5 T6 E7 K13	S5-S9 WeakPolarHBondContact O-CB 3.31Å; S5-S9 PolarHBondContact O-N 3.47Å; S5-S9 VanDerWaalsContact O-N 3.11Å; S5-S9 PolarHBondContact O-OG 2.93Å; T6-S9 PolarHBondContact O-N 2.9Å; E7-S9 VanDerWaalsContact C-N 3.33Å; E7-S9 PolarHBondContact O-N 3.43Å; S9-K13 WeakPolarHBondContact O-CB 3.39Å; S9-K13 VanDerWaalsContact O-CG 3.28Å; S9-K13 WeakPolarHBondContact O-CG 3.28Å; S9-K13 PolarHBondContact O-N 3.42Å
10	E	88	Confident	78.9	Confident	118 Å²	118	122.2 Å²	122.2	55%	0.551	62%	0.622	S	S	*	*	H	α-helix	trans	-65.4	-44.5	176	-76.7	-178.4	173.1	0	0	111.8	T6 E7 I12 K13 Q14	T6-E10 WeakPolarHBondContact O-CG 3.27Å; T6-E10 PolarHBondContact O-N 2.9Å; E7-E10 PolarHBondContact O-N 3.44Å; E10-I12 PolarHBondContact O-N 3.09Å; E10-K13 PolarHBondContact O-N 3.41Å; E10-Q14 WeakPolarHBondContact O-CB 3.2Å; E10-Q14 VanDerWaalsContact O-CG 3.32Å; E10-Q14 WeakPolarHBondContact O-CG 3.24Å; E10-Q14 PolarHBondContact O-N 3.31Å
11	L	84.1	Confident	78.8	Confident	90 Å²	90	122.5 Å²	122.5	47%	0.471	63%	0.629	S	S	.	*	H	α-helix	trans	-61.1	-43.8	178	-166.5	157.4	0	0	0	111.5	E7 I8 Q14 R15	E7-L11 WeakPolarHBondContact O-CB 3.4Å; E7-L11 PolarHBondContact O-N 2.88Å; I8-L11 PolarHBondContact O-N 2.89Å; L11-Q14 PolarHBondContact O-N 3.42Å; L11-R15 HydrophobicContact CD2-CG 4.47Å; L11-R15 WeakPolarHBondContact O-CG 3.41Å; L11-R15 PolarHBondContact O-N 2.93Å; L11-R15 VanDerWaalsContact O-N 3.14Å
12	I	86.5	Confident	80.4	Confident	88 Å²	88	116 Å²	116	45%	0.451	60%	0.604	S	S	.	*	H	α-helix	trans	-65.5	-44.9	175.9	-66	170.6	0	0	0	110.8	I8 E10 Q14 R15 I16	I8-I12 HydrophobicContact CG2-CD1 3.85Å; I8-I12 WeakPolarHBondContact O-CG1 3.48Å; I8-I12 PolarHBondContact O-N 3.49Å; E10-I12 PolarHBondContact O-N 3.09Å; I12-Q14 VanDerWaalsContact C-N 3.34Å; I12-Q14 PolarHBondContact O-N 3.5Å; I12-R15 PolarHBondContact O-N 3.2Å; I12-I16 HydrophobicContact CG2-CD1 3.81Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 WeakPolarHBondContact O-CG1 3.48Å; I12-I16 PolarHBondContact O-N 2.9Å
13	K	86.6	Confident	81.5	Confident	149 Å²	149	113.6 Å²	113.6	65%	0.648	61%	0.606	S	S	*	*	H	α-helix	trans	-59.2	-43.1	177.3	-81.1	177.4	-179.6	179.3	0	112.1	S9 E10 I16 A17	S9-K13 WeakPolarHBondContact O-CB 3.39Å; S9-K13 VanDerWaalsContact O-CG 3.28Å; S9-K13 WeakPolarHBondContact O-CG 3.28Å; S9-K13 PolarHBondContact O-N 3.42Å; E10-K13 PolarHBondContact O-N 3.41Å; K13-I16 PolarHBondContact O-N 2.97Å; K13-A17 VanDerWaalsContact O-CB 3.29Å; K13-A17 WeakPolarHBondContact O-CB 3.5Å; K13-A17 PolarHBondContact O-N 2.92Å
14	Q	88.3	Confident	82.4	Confident	119 Å²	119	113.7 Å²	113.7	56%	0.556	60%	0.602	S	S	*	*	H	α-helix	trans	-60.7	-44.6	176.6	-74.6	175.1	-0.2	0	0	111.4	E10 L11 I12 I16 A17 Q18	E10-Q14 WeakPolarHBondContact O-CB 3.2Å; E10-Q14 VanDerWaalsContact O-CG 3.32Å; E10-Q14 WeakPolarHBondContact O-CG 3.24Å; E10-Q14 PolarHBondContact O-N 3.31Å; L11-Q14 PolarHBondContact O-N 3.42Å; I12-Q14 VanDerWaalsContact C-N 3.34Å; I12-Q14 PolarHBondContact O-N 3.5Å; Q14-I16 PolarHBondContact O-N 3.45Å; Q14-A17 PolarHBondContact O-N 2.92Å; Q14-Q18 WeakPolarHBondContact O-CB 3.37Å; Q14-Q18 WeakPolarHBondContact O-CG 3.36Å; Q14-Q18 PolarHBondContact O-N 2.67Å
15	R	84.5	Confident	82.6	Confident	161 Å²	161	115.5 Å²	115.5	61%	0.608	63%	0.627	S	S	*	*	H	α-helix	trans	-63.3	-40.5	176.7	-73	-174.6	178.7	-166.4	-0.1	113	L11 I12 F19	L11-R15 HydrophobicContact CD2-CG 4.47Å; L11-R15 WeakPolarHBondContact O-CG 3.41Å; L11-R15 PolarHBondContact O-N 2.93Å; L11-R15 VanDerWaalsContact O-N 3.14Å; I12-R15 PolarHBondContact O-N 3.2Å; R15-F19 PolarHBondContact O-N 2.69Å
16	I	86.4	Confident	82.5	Confident	121 Å²	121	115.9 Å²	115.9	62%	0.621	62%	0.619	S	S	*	*	H	α-helix	trans	-67.4	-42.9	176.1	-65.6	170.8	0	0	0	110.5	I12 K13 Q14 Q18 F19	I12-I16 HydrophobicContact CG2-CD1 3.81Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 WeakPolarHBondContact O-CG1 3.48Å; I12-I16 PolarHBondContact O-N 2.9Å; K13-I16 PolarHBondContact O-N 2.97Å; Q14-I16 PolarHBondContact O-N 3.45Å; I16-Q18 VanDerWaalsContact C-N 3.28Å; I16-Q18 PolarHBondContact O-N 3.4Å; I16-F19 WeakPolarHBondContact O-CB 3.35Å; I16-F19 PolarHBondContact O-N 2.9Å; I16-F19 VanDerWaalsContact O-N 3.12Å
17	A	85	Confident	82.6	Confident	88 Å²	88	113.6 Å²	113.6	73%	0.727	60%	0.604	S	S	*	*	H	α-helix	trans	-64.8	-31.4	180	0	0	0	0	0	113.1	K13 Q14 F19	K13-A17 VanDerWaalsContact O-CB 3.29Å; K13-A17 WeakPolarHBondContact O-CB 3.5Å; K13-A17 PolarHBondContact O-N 2.92Å; Q14-A17 PolarHBondContact O-N 2.92Å; A17-F19 VanDerWaalsContact C-N 3.34Å
18	Q	86.1	Confident	83	Confident	149 Å²	149	111.6 Å²	111.6	70%	0.696	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-3.8	176	-68.6	174.5	-6.2	0	0	113.4	Q14 I16 N20	Q14-Q18 WeakPolarHBondContact O-CB 3.37Å; Q14-Q18 WeakPolarHBondContact O-CG 3.36Å; Q14-Q18 PolarHBondContact O-N 2.67Å; I16-Q18 VanDerWaalsContact C-N 3.28Å; I16-Q18 PolarHBondContact O-N 3.4Å; Q18-N20 PolarHBondContact O-N 3.27Å
19	F	81.6	Confident	83.6	Confident	149 Å²	149	108 Å²	108	65%	0.654	58%	0.576	S	S	*	*			trans	-75.3	100.1	-177.2	-171.4	-106.2	0	0	0	110.6	R15 I16 A17 V21	R15-F19 PolarHBondContact O-N 2.69Å; I16-F19 WeakPolarHBondContact O-CB 3.35Å; I16-F19 PolarHBondContact O-N 2.9Å; I16-F19 VanDerWaalsContact O-N 3.12Å; A17-F19 VanDerWaalsContact C-N 3.34Å; F19-V21 HydrophobicContact CD1-CG2 3.71Å; F19-V21 HydrophobicContact CE1-CG2 3.84Å; F19-V21 PolarHBondContact O-N 2.8Å
20	N	77.9	Confident	84.1	Confident	137 Å²	137	107 Å²	107	73%	0.733	57%	0.568	S	S	*	*			trans	-75.1	105.7	176.5	-75.7	-20	0	0	0	110.5	Q18 V22	Q18-N20 PolarHBondContact O-N 3.27Å; N20-V22 VanDerWaalsContact C-N 3.29Å; N20-V22 HydrophobicContact CB-CG2 4.45Å; N20-V22 PolarHBondContact O-N 3.13Å
21	V	76.7	Confident	84.5	Confident	128 Å²	128	101.4 Å²	101.4	78%	0.776	54%	0.542	S	S	*	.			trans	-79.3	79.8	172.6	-171.5	0	0	0	0	108.9	F19	F19-V21 HydrophobicContact CD1-CG2 3.71Å; F19-V21 HydrophobicContact CE1-CG2 3.84Å; F19-V21 PolarHBondContact O-N 2.8Å
22	V	76	Confident	85	Confident	109 Å²	109	100 Å²	100	66%	0.661	54%	0.536	S	S	*	.			trans	-117.8	134.4	172.9	-176.7	0	0	0	0	108.4	N20 E24	N20-V22 VanDerWaalsContact C-N 3.29Å; N20-V22 HydrophobicContact CB-CG2 4.45Å; N20-V22 PolarHBondContact O-N 3.13Å; V22-E24 PolarHBondContact O-N 3.2Å
23	S	75.5	Confident	85.3	Confident	124 Å²	124	98.1 Å²	98.1	87%	0.867	53%	0.532	S	S	*	.			trans	-79.6	114.3	175.1	178.8	0	0	0	0	109.5
24	E	74.3	Confident	85.7	Confident	155 Å²	155	93.2 Å²	93.2	72%	0.724	51%	0.514	S	S	*	.			trans	-102.1	132.2	174.6	-68.6	-178.2	170.2	0	0	111	V22 H26	V22-E24 PolarHBondContact O-N 3.2Å; E24-H26 PolarHBondContact O-ND1 3.27Å; E24-H26 VanDerWaalsContact O-ND1 3.13Å
25	A	77.3	Confident	85.9	Confident	109 Å²	109	90.9 Å²	90.9	90%	0.901	51%	0.51	S	S	*	.			trans	-68.6	130.8	170.9	0	0	0	0	0	109.1
26	H	81.1	Confident	86.1	Confident	96 Å²	96	87.4 Å²	87.4	44%	0.444	50%	0.504	S	S	.	.			trans	-130.3	145.8	178.7	48	-83.8	0	0	0	109.8	E24 K89	E24-H26 PolarHBondContact O-ND1 3.27Å; E24-H26 VanDerWaalsContact O-ND1 3.13Å; H26-K89 VanDerWaalsContact CD2-CD 3.46Å; H26-K89 WeakPolarHBondContact CD2-CD 3.45Å; H26-K89 PolarHBondContact CE1-NZ 2.94Å; H26-K89 VanDerWaalsContact NE2-CE 3.31Å; H26-K89 WeakPolarHBondContact NE2-CE 3.09Å; H26-K89 PolarHBondContact NE2-NZ 3.45Å
27	N	87.8	Confident	86.3	Confident	39 Å²	39	82 Å²	82	21%	0.209	48%	0.478	C	S	.	.			trans	-76.4	126	174.2	-158.7	-50.4	0	0	0	109.1	L44 A45 D46 C90	N27-L44 WeakPolarHBondContact OD1-CA 3.31Å; N27-A45 PolarHBondContact OD1-N 3.48Å; N27-D46 VanDerWaalsContact ND2-CG 3.32Å; N27-D46 PolarHBondContact ND2-N 3.47Å; N27-D46 PolarHBondContact ND2-OD2 3.17Å; N27-C90 HydrophobicContact CB-CB 4.25Å; N27-C90 PolarHBondContact O-N 3.39Å
28	E	92.1	Very high	86.6	Confident	74 Å²	74	78.9 Å²	78.9	35%	0.346	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.8	-175.4	-170.1	-178.9	94	0	0	110.5	K87 V88	E28-K87 HydrophobicContact CG-CB 4.18Å; E28-K87 HydrophobicContact CG-CD 4.25Å; E28-K87 WeakPolarHBondContact OE1-CD 3.22Å; E28-K87 WeakPolarHBondContact OE1-CE 3.38Å; E28-K87 IonicContact OE1-NZ 3.28Å; E28-K87 PolarHBondContact OE1-NZ 3.45Å; E28-V88 CarbonylContact C-O 3.56Å; E28-V88 WeakPolarHBondContact CA-O 3.26Å; E28-V88 WeakPolarHBondContact CG-O 3.29Å
29	G	93.8	Very high	87	Confident	3 Å²	3	71.8 Å²	71.8	3%	0.031	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	174.6	172.3	0	0	0	0	0	111.7	H42 L44 K87 V88	G29-H42 CarbonylContact C-O 3.5Å; G29-H42 WeakPolarHBondContact CA-O 3.45Å; G29-L44 VanDerWaalsContact N-CD2 3.28Å; G29-K87 WeakPolarHBondContact O-CA 3.5Å; G29-V88 PolarHBondContact N-O 3.23Å; G29-V88 PolarHBondContact O-N 3.34Å
30	T	95.8	Very high	87.7	Confident	40 Å²	40	69.9 Å²	69.9	25%	0.245	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.4	176.2	47.8	0	0	0	0	109.8	V32 I41 H42 M86 K87	T30-V32 PolarHBondContact O-N 3.4Å; T30-I41 WeakPolarHBondContact O-CA 3.29Å; T30-H42 PolarHBondContact N-O 3.45Å; T30-H42 PolarHBondContact O-N 3.46Å; T30-M86 WeakPolarHBondContact CA-O 3.37Å; T30-K87 HydrophobicContact CG2-CD 3.58Å
31	I	96.2	Very high	88.5	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	125.8	171.7	-60.3	-177	0	0	0	108.7	S33 V34 I41 L82 G85 M86 V88	I31-S33 WeakPolarHBondContact CG2-O 3.06Å; I31-V34 HydrophobicContact CG2-CG2 3.56Å; I31-I41 HydrophobicContact CG1-CG1 4.49Å; I31-L82 HydrophobicContact CD1-CB 4.47Å; I31-G85 PolarHBondContact O-N 2.9Å; I31-M86 HydrophobicContact CD1-CB 4.14Å; I31-M86 HydrophobicContact CG1-CB 4.48Å; I31-M86 PolarHBondContact N-O 3.25Å; I31-V88 HydrophobicContact CD1-CG1 3.83Å; I31-V88 HydrophobicContact CG1-CG1 3.58Å
32	V	95.4	Very high	89.4	Confident	59 Å²	59	62.4 Å²	62.4	36%	0.358	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-34.5	176.2	-178.7	0	0	0	0	110.8	T30 R40 H42 E84	T30-V32 PolarHBondContact O-N 3.4Å; V32-R40 PolarHBondContact N-O 3.26Å; V32-H42 HydrophobicContact CG2-CB 3.46Å; V32-H42 VanDerWaalsContact CG2-CB 3.46Å; V32-E84 WeakPolarHBondContact O-CG 3.33Å
33	S	93.7	Very high	90.1	Very high	50 Å²	50	59 Å²	59	35%	0.35	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	153.4	176.2	68.1	0	0	0	0	111.8	I31 I39 R40	I31-S33 WeakPolarHBondContact CG2-O 3.06Å; S33-I39 VanDerWaalsContact O-CA 3.31Å; S33-I39 WeakPolarHBondContact O-CA 3.38Å; S33-R40 PolarHBondContact N-O 2.98Å; S33-R40 PolarHBondContact O-N 2.86Å; S33-R40 WeakPolarHBondContact OG-CB 3.44Å
34	V	93.9	Very high	90.9	Very high	46 Å²	46	53.2 Å²	53.2	28%	0.279	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.6	174.6	-173.9	0	0	0	0	107.4	I31 I39 Y79 L82	I31-V34 HydrophobicContact CG2-CG2 3.56Å; V34-I39 HydrophobicContact CB-CG2 4.4Å; V34-I39 HydrophobicContact CG1-CG2 4.13Å; V34-I39 HydrophobicContact CG2-CG2 4.02Å; V34-Y79 HydrophobicContact CG1-CD2 4.09Å; V34-L82 HydrophobicContact CG1-CB 4.39Å; V34-L82 HydrophobicContact CG2-CB 4.11Å
35	S	91.9	Very high	91.5	Very high	69 Å²	69	50.1 Å²	50.1	48%	0.483	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	124.7	176	-167.7	0	0	0	0	109.9	G37 V38	S35-G37 PolarHBondContact O-N 2.8Å; S35-V38 PolarHBondContact N-O 3.37Å; S35-V38 WeakPolarHBondContact O-CA 3.36Å; S35-V38 WeakPolarHBondContact O-CB 3.45Å; S35-V38 PolarHBondContact O-N 2.76Å
36	D	89.4	Confident	92.1	Very high	89 Å²	89	50.9 Å²	50.9	48%	0.476	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	34.1	172.8	-55.9	-61.3	0	0	0	115.1	V38 L276	D36-V38 VanDerWaalsContact C-N 3.31Å; D36-V38 PolarHBondContact O-N 3.18Å; D36-L276 HydrophobicContact CB-CD1 3.81Å; D36-L276 HydrophobicContact CB-CD2 3.72Å; D36-L276 HydrophobicContact CB-CG 4.41Å; D36-L276 WeakPolarHBondContact O-CD1 3.37Å
37	G	90.4	Very high	92.6	Very high	6 Å²	6	46.9 Å²	46.9	6%	0.062	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	2	-177.5	0	0	0	0	0	115.2	S35 V75	S35-G37 PolarHBondContact O-N 2.8Å; G37-V75 WeakPolarHBondContact O-CG2 3.45Å; G37-V75 PolarHBondContact O-N 3.16Å
38	V	92.9	Very high	92.7	Very high	23 Å²	23	49.2 Å²	49.2	14%	0.139	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.5	167	-178.3	0	0	0	0	109	S35 D36 A73 V74 L276 L277	S35-V38 PolarHBondContact N-O 3.37Å; S35-V38 WeakPolarHBondContact O-CA 3.36Å; S35-V38 WeakPolarHBondContact O-CB 3.45Å; S35-V38 PolarHBondContact O-N 2.76Å; D36-V38 VanDerWaalsContact C-N 3.31Å; D36-V38 PolarHBondContact O-N 3.18Å; V38-A73 WeakPolarHBondContact CA-O 3.24Å; V38-V74 HydrophobicContact CG2-CG2 4.41Å; V38-L276 HydrophobicContact CG2-CB 3.7Å; V38-L276 HydrophobicContact CG2-CD1 4.36Å; V38-L277 HydrophobicContact CG1-CD2 3.71Å; V38-L277 HydrophobicContact CG2-CD2 4.42Å
39	I	94.1	Very high	92.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.9	173.1	60.5	178.5	0	0	0	110	S33 V34 I41 L55 A61 A73 V75 L82	S33-I39 VanDerWaalsContact O-CA 3.31Å; S33-I39 WeakPolarHBondContact O-CA 3.38Å; V34-I39 HydrophobicContact CB-CG2 4.4Å; V34-I39 HydrophobicContact CG1-CG2 4.13Å; V34-I39 HydrophobicContact CG2-CG2 4.02Å; I39-I41 HydrophobicContact CD1-CD1 3.73Å; I39-I41 HydrophobicContact CD1-CG1 4.14Å; I39-I41 HydrophobicContact CG1-CD1 4.07Å; I39-I41 HydrophobicContact CG1-CG1 4.25Å; I39-L55 HydrophobicContact CD1-CD1 4.18Å; I39-L55 HydrophobicContact CD1-CD2 3.53Å; I39-L55 HydrophobicContact CD1-CG 4.47Å; I39-A61 HydrophobicContact CD1-CB 3.79Å; I39-A61 HydrophobicContact CG1-CB 4.47Å; I39-A73 HydrophobicContact CD1-CB 4.3Å; I39-A73 HydrophobicContact CG1-CB 3.87Å; I39-A73 PolarHBondContact N-O 3.2Å; I39-A73 PolarHBondContact O-N 3.23Å; I39-V75 HydrophobicContact CD1-CG2 4.19Å; I39-V75 HydrophobicContact CG1-CG2 4.29Å; I39-V75 HydrophobicContact CG2-CG2 3.63Å; I39-L82 HydrophobicContact CG2-CD1 4.29Å
40	R	94.7	Very high	92.2	Very high	109 Å²	109	53 Å²	53	41%	0.411	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.6	168.2	-173.6	173.8	-74.8	-165.9	-15.3	108.3	V32 S33 E67 V71	V32-R40 PolarHBondContact N-O 3.26Å; S33-R40 PolarHBondContact N-O 2.98Å; S33-R40 PolarHBondContact O-N 2.86Å; S33-R40 WeakPolarHBondContact OG-CB 3.44Å; R40-E67 IonicContact NH2-OE1 3.13Å; R40-E67 IonicContact NH2-OE2 2.75Å; R40-V71 WeakPolarHBondContact CA-O 3.34Å
41	I	95.6	Very high	92	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.8	-175.6	-61.1	157.7	0	0	0	108.5	T30 I31 I39 L44 I53 S70 V71 A73 V88	T30-I41 WeakPolarHBondContact O-CA 3.29Å; I31-I41 HydrophobicContact CG1-CG1 4.49Å; I39-I41 HydrophobicContact CD1-CD1 3.73Å; I39-I41 HydrophobicContact CD1-CG1 4.14Å; I39-I41 HydrophobicContact CG1-CD1 4.07Å; I39-I41 HydrophobicContact CG1-CG1 4.25Å; I41-L44 HydrophobicContact CB-CD1 4.45Å; I41-L44 HydrophobicContact CD1-CD1 4.16Å; I41-L44 HydrophobicContact CG2-CD1 3.7Å; I41-L44 HydrophobicContact CG2-CG 3.88Å; I41-I53 HydrophobicContact CD1-CD1 3.66Å; I41-I53 HydrophobicContact CD1-CG2 4.08Å; I41-S70 CarbonylContact O-C 3.6Å; I41-S70 WeakPolarHBondContact O-CA 3.47Å; I41-S70 WeakPolarHBondContact O-CB 3.33Å; I41-V71 HydrophobicContact CB-CB 4.39Å; I41-V71 PolarHBondContact N-O 3.01Å; I41-V71 PolarHBondContact O-N 2.64Å; I41-A73 HydrophobicContact CD1-CB 4.1Å; I41-V88 HydrophobicContact CB-CG2 4.36Å; I41-V88 HydrophobicContact CD1-CG2 3.93Å; I41-V88 HydrophobicContact CG1-CG2 4Å; I41-V88 HydrophobicContact CG2-CG2 3.43Å; I41-V88 VanDerWaalsContact CG2-CG2 3.43Å
42	H	95.3	Very high	91.7	Very high	108 Å²	108	51.6 Å²	51.6	50%	0.5	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	142.2	168.8	176	-88.1	0	0	0	109.8	G29 T30 V32 D69	G29-H42 CarbonylContact C-O 3.5Å; G29-H42 WeakPolarHBondContact CA-O 3.45Å; T30-H42 PolarHBondContact N-O 3.45Å; T30-H42 PolarHBondContact O-N 3.46Å; V32-H42 HydrophobicContact CG2-CB 3.46Å; V32-H42 VanDerWaalsContact CG2-CB 3.46Å; H42-D69 PolarHBondContact CD2-O 3.38Å
43	G	91.2	Very high	91.6	Very high	37 Å²	37	48.8 Å²	48.8	38%	0.381	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.3	-144.4	-171.1	0	0	0	0	0	111.5
44	L	91.2	Very high	91.6	Very high	4 Å²	4	48 Å²	48	2%	0.021	28%	0.277	C	S	.	.			trans	54.3	49.6	-174.8	-55.8	-174.8	0	0	0	113.1	N27 G29 I41 D46 C47 I53 V71 V88 C90	N27-L44 WeakPolarHBondContact OD1-CA 3.31Å; G29-L44 VanDerWaalsContact N-CD2 3.28Å; I41-L44 HydrophobicContact CB-CD1 4.45Å; I41-L44 HydrophobicContact CD1-CD1 4.16Å; I41-L44 HydrophobicContact CG2-CD1 3.7Å; I41-L44 HydrophobicContact CG2-CG 3.88Å; L44-D46 PolarHBondContact O-N 3.32Å; L44-D46 VanDerWaalsContact O-N 3.15Å; L44-C47 HydrophobicContact CB-CB 3.89Å; L44-C47 WeakPolarHBondContact O-CB 3.39Å; L44-C47 PolarHBondContact O-N 2.99Å; L44-I53 HydrophobicContact CD1-CD1 3.69Å; L44-I53 HydrophobicContact CD1-CG1 4.1Å; L44-I53 HydrophobicContact CD1-CG2 4.14Å; L44-V71 HydrophobicContact CB-CG2 4.35Å; L44-V88 HydrophobicContact CD1-CG2 4.13Å; L44-V88 HydrophobicContact CG-CG2 4.5Å; L44-C90 HydrophobicContact CD2-CB 4.39Å
45	A	88.8	Confident	91.6	Very high	90 Å²	90	46.1 Å²	46.1	74%	0.744	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.5	-174.1	0	0	0	0	0	113.8	N27	N27-A45 PolarHBondContact OD1-N 3.48Å
46	D	89.9	Confident	91.5	Very high	125 Å²	125	45.4 Å²	45.4	67%	0.668	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	12.5	-179.5	-52.9	-42.4	0	0	0	112.8	N27 L44 M48	N27-D46 VanDerWaalsContact ND2-CG 3.32Å; N27-D46 PolarHBondContact ND2-N 3.47Å; N27-D46 PolarHBondContact ND2-OD2 3.17Å; L44-D46 PolarHBondContact O-N 3.32Å; L44-D46 VanDerWaalsContact O-N 3.15Å; D46-M48 PolarHBondContact O-N 2.88Å
47	C	90.8	Very high	91.3	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.081	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-69.3	133.1	-176.8	-169.4	0	0	0	0	112.2	L44 E51 L66 V71	L44-C47 HydrophobicContact CB-CB 3.89Å; L44-C47 WeakPolarHBondContact O-CB 3.39Å; L44-C47 PolarHBondContact O-N 2.99Å; C47-E51 VanDerWaalsContact CA-OE2 3.26Å; C47-E51 WeakPolarHBondContact CA-OE2 3.49Å; C47-E51 PolarHBondContact SG-OE2 3.33Å; C47-E51 VanDerWaalsContact SG-OE2 3.41Å; C47-L66 HydrophobicContact CB-CD2 4.34Å; C47-L66 WeakPolarHBondContact O-CD1 3.45Å; C47-V71 HydrophobicContact CB-CG2 4.4Å
48	M	89.9	Confident	91	Very high	87 Å²	87	51.5 Å²	51.5	43%	0.429	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-91.6	150.6	173.9	-61.4	178.6	-72	0	0	111.3	D46 G50 E51	D46-M48 PolarHBondContact O-N 2.88Å; M48-G50 PolarHBondContact O-N 3.49Å; M48-E51 HydrophobicContact CB-CB 4.23Å; M48-E51 HydrophobicContact CE-CG 4.44Å; M48-E51 PolarHBondContact N-OE2 2.89Å; M48-E51 WeakPolarHBondContact O-CB 3.4Å; M48-E51 PolarHBondContact O-N 2.9Å; M48-E51 VanDerWaalsContact O-N 3.15Å
49	Q	89	Confident	90.8	Very high	137 Å²	137	52.4 Å²	52.4	64%	0.64	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	130.1	171	-171.1	177.4	28.9	0	0	109.5	E51 L64 L66	Q49-E51 VanDerWaalsContact C-N 3.32Å; Q49-L64 PolarHBondContact NE2-O 3.27Å; Q49-L64 VanDerWaalsContact NE2-O 3.1Å; Q49-L66 HydrophobicContact CB-CD1 4.24Å
50	G	86.8	Confident	90.7	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	3.8	-175.5	0	0	0	0	0	114.6	M48 A63 L95	M48-G50 PolarHBondContact O-N 3.49Å; G50-A63 WeakPolarHBondContact CA-O 3.3Å; G50-A63 PolarHBondContact N-O 3.48Å; G50-L95 PolarHBondContact O-N 3.32Å
51	E	90.7	Very high	90.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	144.9	176.7	-160.9	-169.8	153.1	0	0	111.8	C47 M48 Q49 A63 C90 T91 G92 R93	C47-E51 VanDerWaalsContact CA-OE2 3.26Å; C47-E51 WeakPolarHBondContact CA-OE2 3.49Å; C47-E51 PolarHBondContact SG-OE2 3.33Å; C47-E51 VanDerWaalsContact SG-OE2 3.41Å; M48-E51 HydrophobicContact CB-CB 4.23Å; M48-E51 HydrophobicContact CE-CG 4.44Å; M48-E51 PolarHBondContact N-OE2 2.89Å; M48-E51 WeakPolarHBondContact O-CB 3.4Å; M48-E51 PolarHBondContact O-N 2.9Å; M48-E51 VanDerWaalsContact O-N 3.15Å; Q49-E51 VanDerWaalsContact C-N 3.32Å; E51-A63 PolarHBondContact O-N 2.98Å; E51-C90 WeakPolarHBondContact OE1-CA 3.41Å; E51-C90 WeakPolarHBondContact OE1-CB 3.43Å; E51-T91 PolarHBondContact OE1-N 3.29Å; E51-G92 WeakPolarHBondContact OE1-CA 3.26Å; E51-G92 PolarHBondContact OE1-N 2.92Å; E51-R93 WeakPolarHBondContact CG-O 3.39Å
52	M	90.6	Very high	90.4	Very high	11 Å²	11	51 Å²	51	5%	0.054	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	127	166.3	-67.7	-171.3	-67.9	0	0	110.5	Y60 A61 M76 T91 R93 L95	M52-Y60 HydrophobicContact CB-CD1 4.31Å; M52-A61 WeakPolarHBondContact CA-O 3.28Å; M52-M76 HydrophobicContact CG-CE 4.49Å; M52-T91 HydrophobicContact CB-CG2 4.43Å; M52-T91 WeakPolarHBondContact O-CB 3.49Å; M52-T91 VanDerWaalsContact O-CG2 3.27Å; M52-T91 WeakPolarHBondContact O-CG2 3.47Å; M52-T91 PolarHBondContact O-N 3.4Å; M52-T91 PolarHBondContact O-OG1 2.98Å; M52-R93 HydrophobicContact CE-CB 4.01Å; M52-R93 PolarHBondContact N-O 3.5Å; M52-L95 HydrophobicContact CG-CB 4.15Å; M52-L95 HydrophobicContact CG-CD1 3.85Å; M52-L95 HydrophobicContact SD-CD1 3.57Å; M52-L95 VanDerWaalsContact SD-CD1 3.57Å
53	I	93.4	Very high	90.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.7	172.4	-61.6	173.3	0	0	0	107.5	I41 L44 L55 Y60 A61 A63 V71 A73 V88 K89	I41-I53 HydrophobicContact CD1-CD1 3.66Å; I41-I53 HydrophobicContact CD1-CG2 4.08Å; L44-I53 HydrophobicContact CD1-CD1 3.69Å; L44-I53 HydrophobicContact CD1-CG1 4.1Å; L44-I53 HydrophobicContact CD1-CG2 4.14Å; I53-L55 HydrophobicContact CG2-CD2 4.13Å; I53-Y60 CarbonylContact O-C 3.54Å; I53-Y60 VanDerWaalsContact O-CA 3.26Å; I53-Y60 WeakPolarHBondContact O-CA 3.31Å; I53-A61 HydrophobicContact CB-CB 4.45Å; I53-A61 PolarHBondContact N-O 3.42Å; I53-A61 PolarHBondContact O-N 3.23Å; I53-A63 HydrophobicContact CD1-CB 3.94Å; I53-A63 HydrophobicContact CG1-CB 4.48Å; I53-V71 HydrophobicContact CD1-CG1 4.06Å; I53-A73 HydrophobicContact CD1-CB 3.88Å; I53-V88 HydrophobicContact CG2-CB 3.82Å; I53-V88 HydrophobicContact CG2-CG2 4.16Å; I53-K89 CarbonylContact C-O 3.48Å; I53-K89 WeakPolarHBondContact CA-O 3.27Å
54	S	93.1	Very high	90.3	Very high	34 Å²	34	45.1 Å²	45.1	24%	0.238	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.9	173.4	-176.9	0	0	0	0	109.8	V88 K89	S54-V88 WeakPolarHBondContact O-CA 3.36Å; S54-K89 PolarHBondContact N-O 3.13Å; S54-K89 PolarHBondContact O-N 3.2Å
55	L	93.7	Very high	90.2	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	161.1	176.7	-53.8	178	0	0	0	109.7	I39 I53 R59 A61 V75 L82 V88	I39-L55 HydrophobicContact CD1-CD1 4.18Å; I39-L55 HydrophobicContact CD1-CD2 3.53Å; I39-L55 HydrophobicContact CD1-CG 4.47Å; I53-L55 HydrophobicContact CG2-CD2 4.13Å; L55-R59 HydrophobicContact CB-CG 3.97Å; L55-R59 HydrophobicContact CD1-CG 4.5Å; L55-R59 PolarHBondContact N-O 2.92Å; L55-A61 HydrophobicContact CD1-CB 3.95Å; L55-A61 HydrophobicContact CD2-CB 4.28Å; L55-A61 HydrophobicContact CG-CB 4.23Å; L55-V75 HydrophobicContact CD1-CG1 3.99Å; L55-V75 HydrophobicContact CD1-CG2 4.12Å; L55-L82 HydrophobicContact CB-CD2 4.46Å; L55-L82 HydrophobicContact CD1-CD1 3.83Å; L55-L82 HydrophobicContact CD1-CD2 4.49Å; L55-V88 HydrophobicContact CD2-CB 4.09Å; L55-V88 HydrophobicContact CD2-CG1 3.36Å
56	P	90.5	Very high	90.3	Very high	55 Å²	55	46.2 Å²	46.2	36%	0.357	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	143.2	172.7	-24.3	34.5	0	0	0	112.1	R59 M86 K87	P56-R59 WeakPolarHBondContact O-CD 3.22Å; P56-R59 WeakPolarHBondContact O-CG 3.47Å; P56-M86 HydrophobicContact CG-CB 4.28Å; P56-M86 HydrophobicContact CG-SD 4.2Å; P56-K87 WeakPolarHBondContact CD-O 3.2Å; P56-K87 WeakPolarHBondContact CG-O 3.34Å
57	G	85.7	Confident	90.4	Very high	63 Å²	63	44.6 Å²	44.6	65%	0.649	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	31.2	177.6	0	0	0	0	0	115.3	R59	G57-R59 PolarHBondContact O-N 3.23Å
58	N	83.5	Confident	90.3	Very high	159 Å²	159	55.4 Å²	55.4	85%	0.85	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	43.9	174.5	-69.3	-12.3	0	0	0	114.4
59	R	88.3	Confident	90.4	Very high	43 Å²	43	57 Å²	57	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	164.3	178.5	48.3	171.5	82.7	156.6	20	109.5	L55 P56 G57 P78 D81	L55-R59 HydrophobicContact CB-CG 3.97Å; L55-R59 HydrophobicContact CD1-CG 4.5Å; L55-R59 PolarHBondContact N-O 2.92Å; P56-R59 WeakPolarHBondContact O-CD 3.22Å; P56-R59 WeakPolarHBondContact O-CG 3.47Å; G57-R59 PolarHBondContact O-N 3.23Å; R59-P78 PolarHBondContact NH1-O 3.48Å; R59-D81 IonicContact CZ-OD1 3.26Å; R59-D81 IonicContact CZ-OD2 2.91Å; R59-D81 VanDerWaalsContact CZ-OD2 3.24Å; R59-D81 IonicContact NH1-OD1 3.29Å; R59-D81 PolarHBondContact NH1-OD1 3.09Å; R59-D81 IonicContact NH1-OD2 3.7Å; R59-D81 PolarHBondContact NH1-OD2 3.28Å; R59-D81 VanDerWaalsContact NH1-OD2 3.11Å; R59-D81 IonicContact NH2-OD1 2.74Å; R59-D81 PolarHBondContact NH2-OD1 2.94Å; R59-D81 IonicContact NH2-OD2 3.33Å; R59-D81 PolarHBondContact NH2-OD2 3.05Å
60	Y	91.6	Very high	90.5	Very high	71 Å²	71	51.1 Å²	51.1	28%	0.278	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.4	-172.8	-61.7	-81.1	0	0	0	110.8	M52 I53 M76 T91	M52-Y60 HydrophobicContact CB-CD1 4.31Å; I53-Y60 CarbonylContact O-C 3.54Å; I53-Y60 VanDerWaalsContact O-CA 3.26Å; I53-Y60 WeakPolarHBondContact O-CA 3.31Å; Y60-M76 HydrophobicContact CG-CE 4.5Å; Y60-M76 WeakPolarHBondContact O-CB 3.24Å; Y60-M76 PolarHBondContact O-N 2.83Å; Y60-T91 HydrophobicContact CE1-CG2 4.23Å
61	A	93.3	Very high	90.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	160.6	161.6	0	0	0	0	0	109.6	I39 M52 I53 L55 A73 V74	I39-A61 HydrophobicContact CD1-CB 3.79Å; I39-A61 HydrophobicContact CG1-CB 4.47Å; M52-A61 WeakPolarHBondContact CA-O 3.28Å; I53-A61 HydrophobicContact CB-CB 4.45Å; I53-A61 PolarHBondContact N-O 3.42Å; I53-A61 PolarHBondContact O-N 3.23Å; L55-A61 HydrophobicContact CD1-CB 3.95Å; L55-A61 HydrophobicContact CD2-CB 4.28Å; L55-A61 HydrophobicContact CG-CB 4.23Å; A61-A73 HydrophobicContact CB-CB 4Å; A61-V74 CarbonylContact C-O 3.59Å; A61-V74 WeakPolarHBondContact CA-O 3.44Å; A61-V74 WeakPolarHBondContact CB-O 3.48Å
62	I	92	Very high	91	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.046	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.1	173.5	-171.3	167.6	0	0	0	110	L64 A73 V74 M76 L95 L237	I62-L64 HydrophobicContact CD1-CD2 4.39Å; I62-L64 HydrophobicContact CG1-CD2 4.24Å; I62-L64 HydrophobicContact CG2-CD1 4.5Å; I62-L64 HydrophobicContact CG2-CD2 4.18Å; I62-L64 HydrophobicContact CG2-CG 4.17Å; I62-L64 PolarHBondContact O-N 3.09Å; I62-A73 CarbonylContact O-C 3.58Å; I62-A73 WeakPolarHBondContact O-CA 3.29Å; I62-A73 VanDerWaalsContact O-CB 3.29Å; I62-A73 WeakPolarHBondContact O-CB 3.46Å; I62-V74 HydrophobicContact CG2-CB 4.28Å; I62-V74 PolarHBondContact N-O 2.94Å; I62-V74 PolarHBondContact O-N 3.2Å; I62-M76 HydrophobicContact CB-SD 4.28Å; I62-L95 HydrophobicContact CD1-CB 4.48Å; I62-L95 HydrophobicContact CD1-CD2 4.23Å; I62-L237 HydrophobicContact CD1-CD1 4.42Å; I62-L237 HydrophobicContact CD1-CD2 4.4Å
63	A	92.7	Very high	91.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.5	174.7	0	0	0	0	0	110.1	G50 E51 I53 V71	G50-A63 WeakPolarHBondContact CA-O 3.3Å; G50-A63 PolarHBondContact N-O 3.48Å; E51-A63 PolarHBondContact O-N 2.98Å; I53-A63 HydrophobicContact CD1-CB 3.94Å; I53-A63 HydrophobicContact CG1-CB 4.48Å; A63-V71 HydrophobicContact CB-CG1 3.89Å
64	L	90	Very high	91.1	Very high	21 Å²	21	50.6 Å²	50.6	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-38.9	-179	-66.7	-176.6	0	0	0	113	Q49 I62 G72 V74 I273 L277	Q49-L64 PolarHBondContact NE2-O 3.27Å; Q49-L64 VanDerWaalsContact NE2-O 3.1Å; I62-L64 HydrophobicContact CD1-CD2 4.39Å; I62-L64 HydrophobicContact CG1-CD2 4.24Å; I62-L64 HydrophobicContact CG2-CD1 4.5Å; I62-L64 HydrophobicContact CG2-CD2 4.18Å; I62-L64 HydrophobicContact CG2-CG 4.17Å; I62-L64 PolarHBondContact O-N 3.09Å; L64-G72 PolarHBondContact N-O 2.96Å; L64-V74 HydrophobicContact CD1-CB 4.42Å; L64-V74 HydrophobicContact CD1-CG2 3.53Å; L64-V74 HydrophobicContact CG-CG2 4.35Å; L64-I273 HydrophobicContact CD1-CG2 3.9Å; L64-L277 HydrophobicContact CB-CD1 4.14Å; L64-L277 HydrophobicContact CD1-CD1 3.74Å
65	N	89.6	Confident	91.2	Very high	31 Å²	31	49 Å²	49	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127	178.4	-64.2	-11.9	0	0	0	109.2	V71 G72 R279	N65-V71 CarbonylContact O-C 3.5Å; N65-V71 WeakPolarHBondContact O-CA 3.44Å; N65-G72 PolarHBondContact N-O 3.42Å; N65-G72 VanDerWaalsContact N-O 3.11Å; N65-G72 PolarHBondContact O-N 3.26Å; N65-R279 PolarHBondContact OD1-NH2 3.45Å
66	L	91.8	Very high	91	Very high	85 Å²	85	49.1 Å²	49.1	45%	0.445	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	94.1	168.6	-54.9	179.6	0	0	0	106.9	C47 Q49 V71	C47-L66 HydrophobicContact CB-CD2 4.34Å; C47-L66 WeakPolarHBondContact O-CD1 3.45Å; Q49-L66 HydrophobicContact CB-CD1 4.24Å; L66-V71 HydrophobicContact CD2-CB 4.38Å; L66-V71 HydrophobicContact CD2-CG1 3.88Å; L66-V71 HydrophobicContact CD2-CG2 3.79Å
67	E	90.9	Very high	90.8	Very high	92 Å²	92	47.2 Å²	47.2	43%	0.43	24%	0.244	S	C	.	.			trans	-80.7	168	172.5	-58	-178.8	-171.2	0	0	109.4	R40 D69 S70	R40-E67 IonicContact NH2-OE1 3.13Å; R40-E67 IonicContact NH2-OE2 2.75Å; E67-D69 VanDerWaalsContact C-N 3.26Å; E67-D69 PolarHBondContact O-N 2.78Å; E67-S70 CarbonylContact C-O 3.59Å; E67-S70 WeakPolarHBondContact CA-O 3.31Å; E67-S70 VanDerWaalsContact CB-O 3.29Å; E67-S70 WeakPolarHBondContact CB-O 3.41Å; E67-S70 PolarHBondContact N-O 2.99Å; E67-S70 PolarHBondContact OE2-OG 2.94Å
68	R	90.2	Very high	91	Very high	239 Å²	239	48.8 Å²	48.8	90%	0.902	24%	0.243	S	C	*	.	S	Bend	trans	-54.4	-41.5	-175.9	-172.8	179.1	-176.8	170.3	0.7	113.5
69	D	90.1	Very high	91.4	Very high	120 Å²	120	45.4 Å²	45.4	64%	0.642	22%	0.219	S	C	*	.	S	Bend	trans	-123	4.2	-172.8	-52.8	-54.1	0	0	0	112.6	H42 E67	H42-D69 PolarHBondContact CD2-O 3.38Å; E67-D69 VanDerWaalsContact C-N 3.26Å; E67-D69 PolarHBondContact O-N 2.78Å
70	S	93	Very high	91.5	Very high	14 Å²	14	48 Å²	48	10%	0.098	25%	0.249	C	C	.	.			trans	-155.4	154.3	-179.4	76.4	0	0	0	0	113.5	I41 E67	I41-S70 CarbonylContact O-C 3.6Å; I41-S70 WeakPolarHBondContact O-CA 3.47Å; I41-S70 WeakPolarHBondContact O-CB 3.33Å; E67-S70 CarbonylContact C-O 3.59Å; E67-S70 WeakPolarHBondContact CA-O 3.31Å; E67-S70 VanDerWaalsContact CB-O 3.29Å; E67-S70 WeakPolarHBondContact CB-O 3.41Å; E67-S70 PolarHBondContact N-O 2.99Å; E67-S70 PolarHBondContact OE2-OG 2.94Å
71	V	93.8	Very high	91.5	Very high	8 Å²	8	48.9 Å²	48.9	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123	172.8	178	0	0	0	0	108.9	R40 I41 L44 C47 I53 A63 N65 L66	R40-V71 WeakPolarHBondContact CA-O 3.34Å; I41-V71 HydrophobicContact CB-CB 4.39Å; I41-V71 PolarHBondContact N-O 3.01Å; I41-V71 PolarHBondContact O-N 2.64Å; L44-V71 HydrophobicContact CB-CG2 4.35Å; C47-V71 HydrophobicContact CB-CG2 4.4Å; I53-V71 HydrophobicContact CD1-CG1 4.06Å; A63-V71 HydrophobicContact CB-CG1 3.89Å; N65-V71 CarbonylContact O-C 3.5Å; N65-V71 WeakPolarHBondContact O-CA 3.44Å; L66-V71 HydrophobicContact CD2-CB 4.38Å; L66-V71 HydrophobicContact CD2-CG1 3.88Å; L66-V71 HydrophobicContact CD2-CG2 3.79Å
72	G	93.4	Very high	91.5	Very high	5 Å²	5	49.5 Å²	49.5	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.7	169.1	0	0	0	0	0	109.9	L64 N65	L64-G72 PolarHBondContact N-O 2.96Å; N65-G72 PolarHBondContact N-O 3.42Å; N65-G72 VanDerWaalsContact N-O 3.11Å; N65-G72 PolarHBondContact O-N 3.26Å
73	A	93.7	Very high	91.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.5	-179	0	0	0	0	0	112	V38 I39 I41 I53 A61 I62	V38-A73 WeakPolarHBondContact CA-O 3.24Å; I39-A73 HydrophobicContact CD1-CB 4.3Å; I39-A73 HydrophobicContact CG1-CB 3.87Å; I39-A73 PolarHBondContact N-O 3.2Å; I39-A73 PolarHBondContact O-N 3.23Å; I41-A73 HydrophobicContact CD1-CB 4.1Å; I53-A73 HydrophobicContact CD1-CB 3.88Å; A61-A73 HydrophobicContact CB-CB 4Å; I62-A73 CarbonylContact O-C 3.58Å; I62-A73 WeakPolarHBondContact O-CA 3.29Å; I62-A73 VanDerWaalsContact O-CB 3.29Å; I62-A73 WeakPolarHBondContact O-CB 3.46Å
74	V	92.9	Very high	91.8	Very high	8 Å²	8	58.3 Å²	58.3	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.7	-179.6	-170.7	0	0	0	0	109.8	V38 A61 I62 L64 A233 I273 L277	V38-V74 HydrophobicContact CG2-CG2 4.41Å; A61-V74 CarbonylContact C-O 3.59Å; A61-V74 WeakPolarHBondContact CA-O 3.44Å; A61-V74 WeakPolarHBondContact CB-O 3.48Å; I62-V74 HydrophobicContact CG2-CB 4.28Å; I62-V74 PolarHBondContact N-O 2.94Å; I62-V74 PolarHBondContact O-N 3.2Å; L64-V74 HydrophobicContact CD1-CB 4.42Å; L64-V74 HydrophobicContact CD1-CG2 3.53Å; L64-V74 HydrophobicContact CG-CG2 4.35Å; V74-A233 HydrophobicContact CB-CB 4.42Å; V74-A233 HydrophobicContact CG1-CB 3.71Å; V74-I273 HydrophobicContact CG2-CG2 3.87Å; V74-L277 HydrophobicContact CG2-CD1 4.4Å
75	V	93.6	Very high	91.9	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.7	-175.9	-175.1	0	0	0	0	110.5	G37 I39 L55 G77 L82 S231	G37-V75 WeakPolarHBondContact O-CG2 3.45Å; G37-V75 PolarHBondContact O-N 3.16Å; I39-V75 HydrophobicContact CD1-CG2 4.19Å; I39-V75 HydrophobicContact CG1-CG2 4.29Å; I39-V75 HydrophobicContact CG2-CG2 3.63Å; L55-V75 HydrophobicContact CD1-CG1 3.99Å; L55-V75 HydrophobicContact CD1-CG2 4.12Å; V75-G77 VanDerWaalsContact C-N 3.27Å; V75-G77 PolarHBondContact O-N 3.33Å; V75-L82 HydrophobicContact CG1-CD1 4.08Å; V75-L82 HydrophobicContact CG2-CD1 3.72Å; V75-S231 PolarHBondContact O-OG 3.13Å
76	M	89.5	Confident	92.2	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.039	34%	0.336	C	S	.	.	S	Bend	trans	-91.8	55.2	179.6	-58.6	-171.6	-64.6	0	0	110.8	M52 Y60 I62 L95 L111 A233 L234 L237	M52-M76 HydrophobicContact CG-CE 4.49Å; Y60-M76 HydrophobicContact CG-CE 4.5Å; Y60-M76 WeakPolarHBondContact O-CB 3.24Å; Y60-M76 PolarHBondContact O-N 2.83Å; I62-M76 HydrophobicContact CB-SD 4.28Å; M76-L95 HydrophobicContact CE-CD1 4.08Å; M76-L95 HydrophobicContact SD-CD1 4.28Å; M76-L111 HydrophobicContact CE-CD2 3.93Å; M76-L111 HydrophobicContact SD-CD2 4.01Å; M76-A233 HydrophobicContact CG-CB 4.22Å; M76-L234 HydrophobicContact CB-CD2 4.06Å; M76-L237 HydrophobicContact CG-CD1 4.45Å; M76-L237 HydrophobicContact SD-CD1 3.58Å; M76-L237 VanDerWaalsContact SD-CD1 3.58Å
77	G	87.9	Confident	92.4	Very high	15 Å²	15	62.2 Å²	62.2	16%	0.155	34%	0.338	C	S	.	.	S	Bend	trans	162	-163.3	-179	0	0	0	0	0	113	V75 Y79	V75-G77 VanDerWaalsContact C-N 3.27Å; V75-G77 PolarHBondContact O-N 3.33Å; G77-Y79 PolarHBondContact O-N 3.42Å
78	P	89.3	Confident	92.6	Very high	96 Å²	96	57.9 Å²	57.9	62%	0.623	32%	0.317	S	S	*	.			trans	-57.4	136	171.4	-22.3	33.9	0	0	0	111.1	R59	R59-P78 PolarHBondContact NH1-O 3.48Å
79	Y	91.2	Very high	92.7	Very high	87 Å²	87	50.4 Å²	50.4	34%	0.341	29%	0.291	S	S	.	.			trans	-122.9	-7.4	-176.8	66.7	-93.1	0	0	0	113.7	V34 G77 D81 L82	V34-Y79 HydrophobicContact CG1-CD2 4.09Å; G77-Y79 PolarHBondContact O-N 3.42Å; Y79-D81 PolarHBondContact O-N 3.37Å; Y79-L82 WeakPolarHBondContact O-CB 3.46Å; Y79-L82 PolarHBondContact O-N 3.34Å; Y79-L82 VanDerWaalsContact O-N 3.09Å
80	A	91	Very high	92.7	Very high	97 Å²	97	45.5 Å²	45.5	80%	0.802	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.1	-170.1	0	0	0	0	0	114.1
81	D	92.1	Very high	92.4	Very high	91 Å²	91	46.7 Å²	46.7	49%	0.487	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.6	178.2	59.3	-51	0	0	0	113.4	R59 Y79 M86	R59-D81 IonicContact CZ-OD1 3.26Å; R59-D81 IonicContact CZ-OD2 2.91Å; R59-D81 VanDerWaalsContact CZ-OD2 3.24Å; R59-D81 IonicContact NH1-OD1 3.29Å; R59-D81 PolarHBondContact NH1-OD1 3.09Å; R59-D81 IonicContact NH1-OD2 3.7Å; R59-D81 PolarHBondContact NH1-OD2 3.28Å; R59-D81 VanDerWaalsContact NH1-OD2 3.11Å; R59-D81 IonicContact NH2-OD1 2.74Å; R59-D81 PolarHBondContact NH2-OD1 2.94Å; R59-D81 IonicContact NH2-OD2 3.33Å; R59-D81 PolarHBondContact NH2-OD2 3.05Å; Y79-D81 PolarHBondContact O-N 3.37Å; D81-M86 WeakPolarHBondContact O-CE 3.49Å
82	L	93.6	Very high	92	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.068	30%	0.296	C	S	.	.			trans	-78.4	136.4	170.2	-61	174.2	0	0	0	109.8	I31 V34 I39 L55 V75 Y79 M86	I31-L82 HydrophobicContact CD1-CB 4.47Å; V34-L82 HydrophobicContact CG1-CB 4.39Å; V34-L82 HydrophobicContact CG2-CB 4.11Å; I39-L82 HydrophobicContact CG2-CD1 4.29Å; L55-L82 HydrophobicContact CB-CD2 4.46Å; L55-L82 HydrophobicContact CD1-CD1 3.83Å; L55-L82 HydrophobicContact CD1-CD2 4.49Å; V75-L82 HydrophobicContact CG1-CD1 4.08Å; V75-L82 HydrophobicContact CG2-CD1 3.72Å; Y79-L82 WeakPolarHBondContact O-CB 3.46Å; Y79-L82 PolarHBondContact O-N 3.34Å; Y79-L82 VanDerWaalsContact O-N 3.09Å; L82-M86 HydrophobicContact CD2-SD 4.34Å
83	A	94.5	Very high	91.6	Very high	46 Å²	46	53.4 Å²	53.4	38%	0.38	31%	0.312	S	S	.	.			trans	-126.8	157.1	179	0	0	0	0	0	111.8	M86	A83-M86 HydrophobicContact CB-CE 3.89Å; A83-M86 HydrophobicContact CB-CG 4.34Å; A83-M86 HydrophobicContact CB-SD 4.36Å; A83-M86 PolarHBondContact N-SD 2.98Å; A83-M86 VanDerWaalsContact N-SD 3.35Å; A83-M86 WeakPolarHBondContact O-CB 3.3Å; A83-M86 VanDerWaalsContact O-CG 3.32Å; A83-M86 WeakPolarHBondContact O-CG 2.97Å; A83-M86 PolarHBondContact O-N 2.9Å
84	E	95	Very high	91.2	Very high	147 Å²	147	57.1 Å²	57.1	69%	0.687	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	143.4	168	-175.5	178.5	172.6	0	0	110.9	V32 M86	V32-E84 WeakPolarHBondContact O-CG 3.33Å; E84-M86 VanDerWaalsContact C-N 3.27Å; E84-M86 PolarHBondContact O-N 3.39Å
85	G	93.8	Very high	90.9	Very high	48 Å²	48	57 Å²	57	50%	0.495	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-12.9	-177.9	0	0	0	0	0	114.8	I31	I31-G85 PolarHBondContact O-N 2.9Å
86	M	95.6	Very high	90.8	Very high	64 Å²	64	60.1 Å²	60.1	32%	0.315	35%	0.345	S	S	.	.			trans	-62.1	140.4	175.7	-72.5	-171.4	174.3	0	0	111.6	T30 I31 P56 D81 L82 A83 E84	T30-M86 WeakPolarHBondContact CA-O 3.37Å; I31-M86 HydrophobicContact CD1-CB 4.14Å; I31-M86 HydrophobicContact CG1-CB 4.48Å; I31-M86 PolarHBondContact N-O 3.25Å; P56-M86 HydrophobicContact CG-CB 4.28Å; P56-M86 HydrophobicContact CG-SD 4.2Å; D81-M86 WeakPolarHBondContact O-CE 3.49Å; L82-M86 HydrophobicContact CD2-SD 4.34Å; A83-M86 HydrophobicContact CB-CE 3.89Å; A83-M86 HydrophobicContact CB-CG 4.34Å; A83-M86 HydrophobicContact CB-SD 4.36Å; A83-M86 PolarHBondContact N-SD 2.98Å; A83-M86 VanDerWaalsContact N-SD 3.35Å; A83-M86 WeakPolarHBondContact O-CB 3.3Å; A83-M86 VanDerWaalsContact O-CG 3.32Å; A83-M86 WeakPolarHBondContact O-CG 2.97Å; A83-M86 PolarHBondContact O-N 2.9Å; E84-M86 VanDerWaalsContact C-N 3.27Å; E84-M86 PolarHBondContact O-N 3.39Å
87	K	94.7	Very high	91	Very high	108 Å²	108	59.7 Å²	59.7	47%	0.47	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	140.9	178.1	-61.3	-51.3	-165.1	132.2	0	111.5	E28 G29 T30 P56	E28-K87 HydrophobicContact CG-CB 4.18Å; E28-K87 HydrophobicContact CG-CD 4.25Å; E28-K87 WeakPolarHBondContact OE1-CD 3.22Å; E28-K87 WeakPolarHBondContact OE1-CE 3.38Å; E28-K87 IonicContact OE1-NZ 3.28Å; E28-K87 PolarHBondContact OE1-NZ 3.45Å; G29-K87 WeakPolarHBondContact O-CA 3.5Å; T30-K87 HydrophobicContact CG2-CD 3.58Å; P56-K87 WeakPolarHBondContact CD-O 3.2Å; P56-K87 WeakPolarHBondContact CG-O 3.34Å
88	V	95.1	Very high	91.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.8	177	-60.4	0	0	0	0	109.5	E28 G29 I31 I41 L44 I53 S54 L55	E28-V88 CarbonylContact C-O 3.56Å; E28-V88 WeakPolarHBondContact CA-O 3.26Å; E28-V88 WeakPolarHBondContact CG-O 3.29Å; G29-V88 PolarHBondContact N-O 3.23Å; G29-V88 PolarHBondContact O-N 3.34Å; I31-V88 HydrophobicContact CD1-CG1 3.83Å; I31-V88 HydrophobicContact CG1-CG1 3.58Å; I41-V88 HydrophobicContact CB-CG2 4.36Å; I41-V88 HydrophobicContact CD1-CG2 3.93Å; I41-V88 HydrophobicContact CG1-CG2 4Å; I41-V88 HydrophobicContact CG2-CG2 3.43Å; I41-V88 VanDerWaalsContact CG2-CG2 3.43Å; L44-V88 HydrophobicContact CD1-CG2 4.13Å; L44-V88 HydrophobicContact CG-CG2 4.5Å; I53-V88 HydrophobicContact CG2-CB 3.82Å; I53-V88 HydrophobicContact CG2-CG2 4.16Å; S54-V88 WeakPolarHBondContact O-CA 3.36Å; L55-V88 HydrophobicContact CD2-CB 4.09Å; L55-V88 HydrophobicContact CD2-CG1 3.36Å
89	K	93.4	Very high	91.8	Very high	82 Å²	82	55.2 Å²	55.2	36%	0.357	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.6	-172.5	-56.3	-179.5	178.8	-158.3	0	110.9	H26 I53 S54	H26-K89 VanDerWaalsContact CD2-CD 3.46Å; H26-K89 WeakPolarHBondContact CD2-CD 3.45Å; H26-K89 PolarHBondContact CE1-NZ 2.94Å; H26-K89 VanDerWaalsContact NE2-CE 3.31Å; H26-K89 WeakPolarHBondContact NE2-CE 3.09Å; H26-K89 PolarHBondContact NE2-NZ 3.45Å; I53-K89 CarbonylContact C-O 3.48Å; I53-K89 WeakPolarHBondContact CA-O 3.27Å; S54-K89 PolarHBondContact N-O 3.13Å; S54-K89 PolarHBondContact O-N 3.2Å
90	C	89.7	Confident	92	Very high	17 Å²	17	51.2 Å²	51.2	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	140.7	163.4	-84.8	0	0	0	0	109.3	N27 L44 E51	N27-C90 HydrophobicContact CB-CB 4.25Å; N27-C90 PolarHBondContact O-N 3.39Å; L44-C90 HydrophobicContact CD2-CB 4.39Å; E51-C90 WeakPolarHBondContact OE1-CA 3.41Å; E51-C90 WeakPolarHBondContact OE1-CB 3.43Å
91	T	86.9	Confident	92.3	Very high	39 Å²	39	52.7 Å²	52.7	24%	0.239	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-10.8	177.1	65	0	0	0	0	112.9	E51 M52 Y60 R93	E51-T91 PolarHBondContact OE1-N 3.29Å; M52-T91 HydrophobicContact CB-CG2 4.43Å; M52-T91 WeakPolarHBondContact O-CB 3.49Å; M52-T91 VanDerWaalsContact O-CG2 3.27Å; M52-T91 WeakPolarHBondContact O-CG2 3.47Å; M52-T91 PolarHBondContact O-N 3.4Å; M52-T91 PolarHBondContact O-OG1 2.98Å; Y60-T91 HydrophobicContact CE1-CG2 4.23Å; T91-R93 PolarHBondContact O-N 3.31Å; T91-R93 PolarHBondContact OG1-N 3.45Å
92	G	86.1	Confident	92.5	Very high	53 Å²	53	50 Å²	50	55%	0.546	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.1	5.4	-172.5	0	0	0	0	0	113.7	E51	E51-G92 WeakPolarHBondContact OE1-CA 3.26Å; E51-G92 PolarHBondContact OE1-N 2.92Å
93	R	83.5	Confident	92.6	Very high	101 Å²	101	49.3 Å²	49.3	38%	0.381	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.3	-175	-65	-175.3	-66	166.9	-0.1	110.8	E51 M52 T91	E51-R93 WeakPolarHBondContact CG-O 3.39Å; M52-R93 HydrophobicContact CE-CB 4.01Å; M52-R93 PolarHBondContact N-O 3.5Å; T91-R93 PolarHBondContact O-N 3.31Å; T91-R93 PolarHBondContact OG1-N 3.45Å
94	I	86.2	Confident	92.8	Very high	78 Å²	78	48.8 Å²	48.8	40%	0.4	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	153.3	162.9	-62.8	174.5	0	0	0	107.6	E96	I94-E96 PolarHBondContact O-N 3.14Å
95	L	86.6	Confident	92.9	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	23%	0.234	C	C	.	.			trans	-52.4	117.6	176.5	-179.3	65.8	0	0	0	111.1	G50 M52 I62 M76 L111 V129 L237	G50-L95 PolarHBondContact O-N 3.32Å; M52-L95 HydrophobicContact CG-CB 4.15Å; M52-L95 HydrophobicContact CG-CD1 3.85Å; M52-L95 HydrophobicContact SD-CD1 3.57Å; M52-L95 VanDerWaalsContact SD-CD1 3.57Å; I62-L95 HydrophobicContact CD1-CB 4.48Å; I62-L95 HydrophobicContact CD1-CD2 4.23Å; M76-L95 HydrophobicContact CE-CD1 4.08Å; M76-L95 HydrophobicContact SD-CD1 4.28Å; L95-L111 HydrophobicContact CD1-CD2 4.11Å; L95-V129 HydrophobicContact CB-CB 4.34Å; L95-V129 HydrophobicContact CD2-CB 3.85Å; L95-V129 HydrophobicContact CD2-CG1 3.85Å; L95-V129 HydrophobicContact CD2-CG2 3.93Å; L95-V129 HydrophobicContact CG-CB 3.9Å; L95-V129 HydrophobicContact CG-CG1 4.44Å; L95-V129 HydrophobicContact CG-CG2 3.69Å; L95-V129 PolarHBondContact O-N 2.93Å; L95-L237 HydrophobicContact CD2-CD1 3.65Å; L95-L237 HydrophobicContact CD2-CD2 3.71Å; L95-L237 HydrophobicContact CD2-CG 4.17Å
96	E	90.3	Very high	93.1	Very high	66 Å²	66	41.3 Å²	41.3	31%	0.308	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148	-178	-82.7	174.4	-177.8	0	0	110.2	I94 F126 S127	I94-E96 PolarHBondContact O-N 3.14Å; E96-F126 HydrophobicContact CB-CB 4.16Å; E96-F126 HydrophobicContact CB-CD1 4.48Å; E96-F126 HydrophobicContact CG-CB 4.44Å; E96-S127 CarbonylContact C-O 3.56Å; E96-S127 VanDerWaalsContact CA-O 3.27Å; E96-S127 WeakPolarHBondContact CA-O 3.46Å
97	V	94	Very high	93.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.7	174.6	-71.4	0	0	0	0	110.8	V99 F126 S127 V129 A241 A244 M245	V97-V99 HydrophobicContact CG2-CG1 4.46Å; V97-F126 CarbonylContact O-C 3.48Å; V97-F126 WeakPolarHBondContact O-CA 3.32Å; V97-S127 PolarHBondContact N-O 2.88Å; V97-S127 PolarHBondContact O-N 3.5Å; V97-V129 HydrophobicContact CB-CG2 4.21Å; V97-V129 HydrophobicContact CG1-CG2 3.48Å; V97-V129 VanDerWaalsContact CG1-CG2 3.48Å; V97-V129 HydrophobicContact CG2-CG2 3.88Å; V97-A241 HydrophobicContact CG1-CB 3.97Å; V97-A244 HydrophobicContact CG2-CB 3.74Å; V97-M245 HydrophobicContact CB-CE 4.45Å
98	P	96.2	Very high	93.3	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.065	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	137.7	172.7	26.7	-34.3	0	0	0	110.1	L103 G112 H123 G125 F126	P98-L103 WeakPolarHBondContact O-CD2 3.48Å; P98-G112 WeakPolarHBondContact CG-O 3.35Å; P98-H123 HydrophobicContact CB-CB 3.95Å; P98-G125 WeakPolarHBondContact CA-O 3.45Å; P98-F126 HydrophobicContact CB-CD1 4.41Å; P98-F126 HydrophobicContact CB-CE1 4.18Å
99	V	97.6	Very high	93.3	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.042	19%	0.191	C	C	.	.			trans	-132.6	152.6	178	-64.8	0	0	0	0	110.2	V97 H123 D124 G125 M245 Y248	V97-V99 HydrophobicContact CG2-CG1 4.46Å; V99-H123 WeakPolarHBondContact O-CB 3.32Å; V99-D124 PolarHBondContact O-N 3.32Å; V99-G125 PolarHBondContact N-O 3.19Å; V99-G125 VanDerWaalsContact N-O 3.09Å; V99-M245 HydrophobicContact CG1-CG 4.43Å; V99-Y248 HydrophobicContact CB-CD2 4Å; V99-Y248 HydrophobicContact CB-CG 4.24Å; V99-Y248 HydrophobicContact CG2-CD2 3.8Å
100	G	96.5	Very high	93.4	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	18%	0.175	C	C	.	.	S	Bend	trans	148.7	168.7	179.8	0	0	0	0	0	113.2	G102 L103 D124	G100-G102 PolarHBondContact O-N 3.36Å; G100-L103 PolarHBondContact O-N 2.73Å; G100-D124 VanDerWaalsContact CA-OD2 3.27Å; G100-D124 WeakPolarHBondContact CA-OD2 3.35Å
101	R	96.4	Very high	93.5	Very high	128 Å²	128	33.1 Å²	33.1	48%	0.483	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-69	-24.9	-178.9	-51.9	-174.8	93.9	-150.4	9.7	112.6	L103 L104 D124 Y248 F249 E254	R101-L103 PolarHBondContact O-N 2.82Å; R101-L104 WeakPolarHBondContact O-CB 3.36Å; R101-L104 WeakPolarHBondContact O-CG 3.42Å; R101-L104 PolarHBondContact O-N 3.28Å; R101-L104 VanDerWaalsContact O-N 3.1Å; R101-D124 PolarHBondContact N-OD2 3.44Å; R101-Y248 HydrophobicContact CG-CE1 3.89Å; R101-F249 HydrophobicContact CG-CE1 4.16Å; R101-E254 IonicContact CZ-OE2 3.76Å; R101-E254 IonicContact NE-OE1 3.3Å; R101-E254 IonicContact NE-OE2 3.98Å; R101-E254 IonicContact NH2-OE2 3.82Å; R101-E254 PolarHBondContact NH2-OE2 3.33Å
102	G	96.1	Very high	93.7	Very high	33 Å²	33	31.4 Å²	31.4	34%	0.34	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-67.6	-8.6	178	0	0	0	0	0	115	G100 L104 D122	G100-G102 PolarHBondContact O-N 3.36Å; G102-L104 VanDerWaalsContact C-N 3.33Å; G102-D122 CarbonylContact C-O 3.56Å; G102-D122 VanDerWaalsContact CA-O 3.27Å; G102-D122 WeakPolarHBondContact CA-O 3.35Å
103	L	97.5	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-78	-16.6	170.9	-78.2	74.4	0	0	0	112.9	P98 G100 R101 G105 R106 L121 H123 I222 M245	P98-L103 WeakPolarHBondContact O-CD2 3.48Å; G100-L103 PolarHBondContact O-N 2.73Å; R101-L103 PolarHBondContact O-N 2.82Å; L103-G105 PolarHBondContact O-N 3.26Å; L103-R106 VanDerWaalsContact O-CB 3.24Å; L103-R106 WeakPolarHBondContact O-CB 3.28Å; L103-R106 WeakPolarHBondContact O-CG 3.26Å; L103-R106 PolarHBondContact O-N 3.39Å; L103-R106 VanDerWaalsContact O-N 3.14Å; L103-L121 HydrophobicContact CG-CD2 4.36Å; L103-H123 HydrophobicContact CD1-CB 3.93Å; L103-I222 HydrophobicContact CB-CD1 3.67Å; L103-I222 HydrophobicContact CB-CG1 4.04Å; L103-I222 HydrophobicContact CB-CG2 4.25Å; L103-I222 HydrophobicContact CD2-CD1 4.47Å; L103-M245 HydrophobicContact CD2-CE 3.94Å; L103-M245 HydrophobicContact CD2-CG 3.97Å; L103-M245 HydrophobicContact CD2-SD 3.78Å
104	L	97.2	Very high	94.7	Very high	35 Å²	35	28.4 Å²	28.4	18%	0.183	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	131.7	178.4	-65.6	169.5	0	0	0	110.4	R101 G102 R106 K192 I222 F249	R101-L104 WeakPolarHBondContact O-CB 3.36Å; R101-L104 WeakPolarHBondContact O-CG 3.42Å; R101-L104 PolarHBondContact O-N 3.28Å; R101-L104 VanDerWaalsContact O-N 3.1Å; G102-L104 VanDerWaalsContact C-N 3.33Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-K192 HydrophobicContact CD1-CD 4.27Å; L104-K192 HydrophobicContact CD2-CB 4.35Å; L104-I222 HydrophobicContact CD2-CD1 4.5Å; L104-I222 HydrophobicContact CD2-CG1 3.97Å; L104-F249 HydrophobicContact CD1-CE1 4.47Å; L104-F249 HydrophobicContact CD1-CZ 4.41Å; L104-F249 HydrophobicContact CD2-CZ 4.08Å; L104-F249 HydrophobicContact CG-CZ 4.22Å
105	G	96.8	Very high	95.1	Very high	10 Å²	10	28.6 Å²	28.6	10%	0.103	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	4	-175.8	0	0	0	0	0	115.3	L103 K118 L218 T221	L103-G105 PolarHBondContact O-N 3.26Å; G105-K118 PolarHBondContact O-NZ 3.36Å; G105-L218 WeakPolarHBondContact CA-O 3.12Å; G105-L218 PolarHBondContact N-O 3.22Å; G105-T221 PolarHBondContact N-O 3.36Å
106	R	98	Very high	95.5	Very high	27 Å²	27	30.3 Å²	30.3	10%	0.102	17%	0.168	C	C	.	.			trans	-106.6	148.8	-177.3	-52.4	-60.2	-53.9	-88.6	-0.3	111.9	L103 L104 V108 P114 D116 G119 P120 L121 V223	L103-R106 VanDerWaalsContact O-CB 3.24Å; L103-R106 WeakPolarHBondContact O-CB 3.28Å; L103-R106 WeakPolarHBondContact O-CG 3.26Å; L103-R106 PolarHBondContact O-N 3.39Å; L103-R106 VanDerWaalsContact O-N 3.14Å; L104-R106 VanDerWaalsContact C-N 3.32Å; R106-V108 HydrophobicContact CB-CG1 4.29Å; R106-P114 VanDerWaalsContact NH2-CB 3.26Å; R106-D116 WeakPolarHBondContact CA-OD2 3.4Å; R106-D116 IonicContact CZ-OD1 2.94Å; R106-D116 IonicContact CZ-OD2 3.54Å; R106-D116 IonicContact NE-OD1 3.77Å; R106-D116 IonicContact NE-OD2 3.43Å; R106-D116 PolarHBondContact NE-OD2 3.25Å; R106-D116 IonicContact NH2-OD1 3.76Å; R106-D116 PolarHBondContact NH2-OD1 2.95Å; R106-D116 IonicContact NH2-OD2 2.63Å; R106-G119 PolarHBondContact NH2-O 3.27Å; R106-P120 PolarHBondContact NH1-O 3.44Å; R106-L121 HydrophobicContact CB-CD2 3.86Å; R106-L121 HydrophobicContact CG-CD2 3.61Å; R106-V223 PolarHBondContact O-N 3.15Å
107	V	97.9	Very high	95.6	Very high	15 Å²	15	30.8 Å²	30.8	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.7	167.4	-168.2	0	0	0	0	108	I115 D116 V209 V223 V225	V107-I115 HydrophobicContact CB-CG1 4.15Å; V107-I115 HydrophobicContact CG1-CD1 3.87Å; V107-I115 HydrophobicContact CG1-CG1 3.68Å; V107-I115 WeakPolarHBondContact O-CG1 3.48Å; V107-I115 PolarHBondContact O-N 2.96Å; V107-D116 HydrophobicContact CB-CB 3.94Å; V107-D116 HydrophobicContact CG2-CB 4.08Å; V107-D116 PolarHBondContact N-OD2 3.39Å; V107-D116 VanDerWaalsContact N-OD2 3.08Å; V107-V209 HydrophobicContact CG2-CG1 4.14Å; V107-V209 HydrophobicContact CG2-CG2 4.07Å; V107-V223 CarbonylContact C-O 3.45Å; V107-V223 WeakPolarHBondContact CA-O 3.41Å; V107-V223 HydrophobicContact CB-CB 4.41Å; V107-V223 HydrophobicContact CG1-CB 4.15Å; V107-V223 HydrophobicContact CG1-CG1 3.92Å; V107-V223 HydrophobicContact CG2-CB 4.18Å; V107-V225 HydrophobicContact CG1-CG2 3.48Å; V107-V225 VanDerWaalsContact CG1-CG2 3.48Å
108	V	97.6	Very high	95.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.5	-175.9	-58.2	0	0	0	0	110.9	R106 A113 L121 I222 V223 V224 V225 M245	R106-V108 HydrophobicContact CB-CG1 4.29Å; V108-A113 CarbonylContact C-O 3.58Å; V108-A113 VanDerWaalsContact CA-O 3.31Å; V108-A113 WeakPolarHBondContact CA-O 3.49Å; V108-L121 HydrophobicContact CG1-CD1 3.8Å; V108-L121 HydrophobicContact CG1-CD2 4.23Å; V108-I222 HydrophobicContact CG2-CG2 4.27Å; V108-V223 PolarHBondContact N-O 3.33Å; V108-V224 HydrophobicContact CG2-CB 4.48Å; V108-V224 HydrophobicContact CG2-CG2 3.93Å; V108-V224 WeakPolarHBondContact O-CA 3.2Å; V108-V225 PolarHBondContact O-N 3.44Å; V108-M245 HydrophobicContact CG2-CE 3.88Å; V108-M245 HydrophobicContact CG2-SD 4.21Å
109	N	94.7	Very high	95.4	Very high	37 Å²	37	37.7 Å²	37.7	20%	0.198	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	177.8	169.5	72.3	10.3	0	0	0	111.3	L111 G112 A113 I115	N109-L111 PolarHBondContact O-N 2.78Å; N109-L111 VanDerWaalsContact O-N 3.17Å; N109-L111 WeakPolarHBondContact OD1-CA 3.36Å; N109-L111 PolarHBondContact OD1-N 2.95Å; N109-G112 WeakPolarHBondContact O-CA 3.36Å; N109-G112 PolarHBondContact O-N 3.42Å; N109-G112 PolarHBondContact OD1-N 2.6Å; N109-G112 VanDerWaalsContact OD1-N 3.08Å; N109-A113 PolarHBondContact N-O 2.92Å; N109-A113 PolarHBondContact OD1-N 3.01Å; N109-A113 PolarHBondContact OD1-O 3.3Å; N109-I115 HydrophobicContact CB-CG2 3.98Å
110	T	94.9	Very high	95.1	Very high	2 Å²	2	42 Å²	42	1%	0.012	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.7	177.6	-57.3	0	0	0	0	114.6	G112 L234 L237 A238 A241	T110-G112 VanDerWaalsContact C-N 3.25Å; T110-L234 HydrophobicContact CG2-CD2 4.27Å; T110-L234 WeakPolarHBondContact CG2-O 3.39Å; T110-L234 PolarHBondContact OG1-O 3.18Å; T110-L237 HydrophobicContact CG2-CB 3.57Å; T110-A238 HydrophobicContact CG2-CB 4.32Å; T110-A238 WeakPolarHBondContact OG1-CB 3.35Å; T110-A241 HydrophobicContact CG2-CB 4.3Å; T110-A241 VanDerWaalsContact O-CB 3.23Å; T110-A241 WeakPolarHBondContact O-CB 3.29Å
111	L	92	Very high	94.8	Very high	46 Å²	46	43 Å²	43	24%	0.241	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.2	177.6	-58.2	178.3	0	0	0	112.4	M76 L95 N109 A113 L234	M76-L111 HydrophobicContact CE-CD2 3.93Å; M76-L111 HydrophobicContact SD-CD2 4.01Å; L95-L111 HydrophobicContact CD1-CD2 4.11Å; N109-L111 PolarHBondContact O-N 2.78Å; N109-L111 VanDerWaalsContact O-N 3.17Å; N109-L111 WeakPolarHBondContact OD1-CA 3.36Å; N109-L111 PolarHBondContact OD1-N 2.95Å; L111-A113 VanDerWaalsContact C-N 3.33Å; L111-L234 HydrophobicContact CD2-CD2 4.49Å; L111-L234 HydrophobicContact CG-CD2 4.18Å
112	G	92.8	Very high	94.6	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	27%	0.274	C	S	.	.	S	Bend	trans	75.3	14.4	-177.4	0	0	0	0	0	114.8	P98 N109 T110 L121	P98-G112 WeakPolarHBondContact CG-O 3.35Å; N109-G112 WeakPolarHBondContact O-CA 3.36Å; N109-G112 PolarHBondContact O-N 3.42Å; N109-G112 PolarHBondContact OD1-N 2.6Å; N109-G112 VanDerWaalsContact OD1-N 3.08Å; T110-G112 VanDerWaalsContact C-N 3.25Å; G112-L121 WeakPolarHBondContact O-CD1 3.49Å
113	A	93	Very high	94.6	Very high	43 Å²	43	45.1 Å²	45.1	36%	0.355	27%	0.274	S	S	.	.			trans	-79	138.7	171.3	0	0	0	0	0	110.5	V108 N109 L111	V108-A113 CarbonylContact C-O 3.58Å; V108-A113 VanDerWaalsContact CA-O 3.31Å; V108-A113 WeakPolarHBondContact CA-O 3.49Å; N109-A113 PolarHBondContact N-O 2.92Å; N109-A113 PolarHBondContact OD1-N 3.01Å; N109-A113 PolarHBondContact OD1-O 3.3Å; L111-A113 VanDerWaalsContact C-N 3.33Å
114	P	95.9	Very high	94.4	Very high	47 Å²	47	49.9 Å²	49.9	31%	0.305	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-71.5	134.9	-178.6	28.9	-32	0	0	0	111.3	R106 G119 L121	R106-P114 VanDerWaalsContact NH2-CB 3.26Å; P114-G119 WeakPolarHBondContact CG-O 3.33Å; P114-L121 HydrophobicContact CB-CD1 4.13Å; P114-L121 HydrophobicContact CB-CD2 4.49Å; P114-L121 HydrophobicContact CB-CG 4.01Å; P114-L121 HydrophobicContact CG-CD1 4.17Å; P114-L121 HydrophobicContact CG-CG 4.05Å
115	I	95.4	Very high	94.2	Very high	83 Å²	83	49.4 Å²	49.4	43%	0.426	30%	0.303	S	S	.	.			trans	-120.9	5	179.5	63.4	170.4	0	0	0	113.1	V107 N109 V225	V107-I115 HydrophobicContact CB-CG1 4.15Å; V107-I115 HydrophobicContact CG1-CD1 3.87Å; V107-I115 HydrophobicContact CG1-CG1 3.68Å; V107-I115 WeakPolarHBondContact O-CG1 3.48Å; V107-I115 PolarHBondContact O-N 2.96Å; N109-I115 HydrophobicContact CB-CG2 3.98Å; I115-V225 HydrophobicContact CD1-CB 3.7Å; I115-V225 HydrophobicContact CD1-CG1 3.99Å; I115-V225 HydrophobicContact CD1-CG2 3.99Å
116	D	94.7	Very high	94.1	Very high	41 Å²	41	54.3 Å²	54.3	22%	0.219	32%	0.321	C	S	.	.	S	Bend	trans	-85.2	-5.8	177.9	54.7	18.1	0	0	0	114.5	R106 V107 K118	R106-D116 WeakPolarHBondContact CA-OD2 3.4Å; R106-D116 IonicContact CZ-OD1 2.94Å; R106-D116 IonicContact CZ-OD2 3.54Å; R106-D116 IonicContact NE-OD1 3.77Å; R106-D116 IonicContact NE-OD2 3.43Å; R106-D116 PolarHBondContact NE-OD2 3.25Å; R106-D116 IonicContact NH2-OD1 3.76Å; R106-D116 PolarHBondContact NH2-OD1 2.95Å; R106-D116 IonicContact NH2-OD2 2.63Å; V107-D116 HydrophobicContact CB-CB 3.94Å; V107-D116 HydrophobicContact CG2-CB 4.08Å; V107-D116 PolarHBondContact N-OD2 3.39Å; V107-D116 VanDerWaalsContact N-OD2 3.08Å; D116-K118 HydrophobicContact CB-CD 4.41Å; D116-K118 HydrophobicContact CB-CG 4.19Å; D116-K118 PolarHBondContact O-N 3.41Å; D116-K118 WeakPolarHBondContact OD1-CB 3.44Å; D116-K118 PolarHBondContact OD1-N 3.23Å
117	G	93.1	Very high	93.9	Very high	77 Å²	77	54.7 Å²	54.7	79%	0.794	33%	0.328	S	S	*	.	S	Bend	trans	71.8	9.8	-177.2	0	0	0	0	0	114.7	G119	G117-G119 PolarHBondContact O-N 2.98Å
118	K	93.2	Very high	93.6	Very high	119 Å²	119	55.5 Å²	55.5	52%	0.517	34%	0.337	S	S	.	.	S	Bend	trans	-83.7	12.4	-179.9	-59.7	179.9	-175.5	176.1	0	114	G105 D116	G105-K118 PolarHBondContact O-NZ 3.36Å; D116-K118 HydrophobicContact CB-CD 4.41Å; D116-K118 HydrophobicContact CB-CG 4.19Å; D116-K118 PolarHBondContact O-N 3.41Å; D116-K118 WeakPolarHBondContact OD1-CB 3.44Å; D116-K118 PolarHBondContact OD1-N 3.23Å
119	G	92.1	Very high	93.4	Very high	35 Å²	35	55.6 Å²	55.6	36%	0.361	34%	0.337	S	S	.	.			trans	90.8	-169.5	-178.8	0	0	0	0	0	114	R106 P114 G117	R106-G119 PolarHBondContact NH2-O 3.27Å; P114-G119 WeakPolarHBondContact CG-O 3.33Å; G117-G119 PolarHBondContact O-N 2.98Å
120	P	90.8	Very high	93.1	Very high	99 Å²	99	57.2 Å²	57.2	64%	0.643	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-62.4	166.9	-179.5	27.2	-34.1	0	0	0	112.6	R106	R106-P120 PolarHBondContact NH1-O 3.44Å
121	L	91.2	Very high	93	Very high	22 Å²	22	59 Å²	59	12%	0.115	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-98.5	137.4	177.2	-73.4	160.8	0	0	0	110.3	L103 R106 V108 G112 P114	L103-L121 HydrophobicContact CG-CD2 4.36Å; R106-L121 HydrophobicContact CB-CD2 3.86Å; R106-L121 HydrophobicContact CG-CD2 3.61Å; V108-L121 HydrophobicContact CG1-CD1 3.8Å; V108-L121 HydrophobicContact CG1-CD2 4.23Å; G112-L121 WeakPolarHBondContact O-CD1 3.49Å; P114-L121 HydrophobicContact CB-CD1 4.13Å; P114-L121 HydrophobicContact CB-CD2 4.49Å; P114-L121 HydrophobicContact CB-CG 4.01Å; P114-L121 HydrophobicContact CG-CD1 4.17Å; P114-L121 HydrophobicContact CG-CG 4.05Å
122	D	92.1	Very high	93.1	Very high	133 Å²	133	64.8 Å²	64.8	71%	0.711	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-87.5	124.1	160.9	-61.7	-35.9	0	0	0	107.7	G102	G102-D122 CarbonylContact C-O 3.56Å; G102-D122 VanDerWaalsContact CA-O 3.27Å; G102-D122 WeakPolarHBondContact CA-O 3.35Å
123	H	95	Very high	93.2	Very high	73 Å²	73	65.8 Å²	65.8	34%	0.338	40%	0.396	S	S	.	.			trans	-139.8	154.9	-177.5	65.3	85.9	0	0	0	110.4	P98 V99 L103 G125 F126	P98-H123 HydrophobicContact CB-CB 3.95Å; V99-H123 WeakPolarHBondContact O-CB 3.32Å; L103-H123 HydrophobicContact CD1-CB 3.93Å; H123-G125 VanDerWaalsContact C-N 3.31Å; H123-G125 PolarHBondContact ND1-N 2.95Å; H123-G125 PolarHBondContact ND1-O 3.4Å; H123-G125 PolarHBondContact O-N 2.79Å; H123-F126 AromaticContact CE1-CE2 3.55Å; H123-F126 AromaticContact CE1-CZ 3.62Å
124	D	94.3	Very high	93.3	Very high	101 Å²	101	64.1 Å²	64.1	54%	0.54	38%	0.381	S	S	.	.	S	Bend	trans	-97.9	18.9	-173.8	-57	-38	0	0	0	112.1	V99 G100 R101 Y248	V99-D124 PolarHBondContact O-N 3.32Å; G100-D124 VanDerWaalsContact CA-OD2 3.27Å; G100-D124 WeakPolarHBondContact CA-OD2 3.35Å; R101-D124 PolarHBondContact N-OD2 3.44Å; D124-Y248 HydrophobicContact CB-CE2 3.95Å; D124-Y248 VanDerWaalsContact OD2-CZ 3.32Å; D124-Y248 PolarHBondContact OD2-OH 2.97Å
125	G	93.1	Very high	93.3	Very high	25 Å²	25	63.6 Å²	63.6	26%	0.258	39%	0.385	S	S	.	.			trans	129.4	-157.6	179.6	0	0	0	0	0	112.4	P98 V99 H123	P98-G125 WeakPolarHBondContact CA-O 3.45Å; V99-G125 PolarHBondContact N-O 3.19Å; V99-G125 VanDerWaalsContact N-O 3.09Å; H123-G125 VanDerWaalsContact C-N 3.31Å; H123-G125 PolarHBondContact ND1-N 2.95Å; H123-G125 PolarHBondContact ND1-O 3.4Å; H123-G125 PolarHBondContact O-N 2.79Å
126	F	93.6	Very high	93.3	Very high	112 Å²	112	66 Å²	66	49%	0.491	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.4	-179.2	-67.6	-88.1	0	0	0	110.1	E96 V97 P98 H123	E96-F126 HydrophobicContact CB-CB 4.16Å; E96-F126 HydrophobicContact CB-CD1 4.48Å; E96-F126 HydrophobicContact CG-CB 4.44Å; V97-F126 CarbonylContact O-C 3.48Å; V97-F126 WeakPolarHBondContact O-CA 3.32Å; P98-F126 HydrophobicContact CB-CD1 4.41Å; P98-F126 HydrophobicContact CB-CE1 4.18Å; H123-F126 AromaticContact CE1-CE2 3.55Å; H123-F126 AromaticContact CE1-CZ 3.62Å
127	S	94.2	Very high	93.4	Very high	35 Å²	35	71.6 Å²	71.6	25%	0.245	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.7	173.6	-170.7	0	0	0	0	110.2	E96 V97 V129	E96-S127 CarbonylContact C-O 3.56Å; E96-S127 VanDerWaalsContact CA-O 3.27Å; E96-S127 WeakPolarHBondContact CA-O 3.46Å; V97-S127 PolarHBondContact N-O 2.88Å; V97-S127 PolarHBondContact O-N 3.5Å; S127-V129 PolarHBondContact O-N 3.3Å
128	A	92.8	Very high	93.6	Very high	33 Å²	33	71.5 Å²	71.5	27%	0.273	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	133.1	175.8	0	0	0	0	0	110.5
129	V	92.6	Very high	93.7	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.006	40%	0.4	C	S	.	.	S	Bend	trans	-69.2	-38.2	178.8	172	0	0	0	0	110.9	L95 V97 S127 L237 Y240 R300	L95-V129 HydrophobicContact CB-CB 4.34Å; L95-V129 HydrophobicContact CD2-CB 3.85Å; L95-V129 HydrophobicContact CD2-CG1 3.85Å; L95-V129 HydrophobicContact CD2-CG2 3.93Å; L95-V129 HydrophobicContact CG-CB 3.9Å; L95-V129 HydrophobicContact CG-CG1 4.44Å; L95-V129 HydrophobicContact CG-CG2 3.69Å; L95-V129 PolarHBondContact O-N 2.93Å; V97-V129 HydrophobicContact CB-CG2 4.21Å; V97-V129 HydrophobicContact CG1-CG2 3.48Å; V97-V129 VanDerWaalsContact CG1-CG2 3.48Å; V97-V129 HydrophobicContact CG2-CG2 3.88Å; S127-V129 PolarHBondContact O-N 3.3Å; V129-L237 HydrophobicContact CG1-CD2 4.42Å; V129-Y240 HydrophobicContact CG1-CG 4.38Å; V129-R300 PolarHBondContact O-NH1 3.31Å
130	E	89.2	Confident	93.9	Very high	71 Å²	71	71.4 Å²	71.4	33%	0.332	40%	0.399	S	S	.	.	S	Bend	trans	-97.4	116.6	172.3	-69.9	-76.7	-175.2	0	0	108.9	R296	E130-R296 IonicContact OE1-CZ 3.93Å; E130-R296 IonicContact OE1-NE 3.76Å; E130-R296 PolarHBondContact OE1-NE 2.92Å; E130-R296 IonicContact OE1-NH2 3.09Å; E130-R296 PolarHBondContact OE1-NH2 3.04Å; E130-R296 IonicContact OE2-NE 3.56Å; E130-R296 PolarHBondContact OE2-NE 3.3Å
131	A	91.7	Very high	94.2	Very high	39 Å²	39	71.5 Å²	71.5	32%	0.322	40%	0.402	S	S	.	.			trans	-140.6	151.2	177.8	0	0	0	0	0	109.7
132	I	93.7	Very high	94.4	Very high	168 Å²	168	71.7 Å²	71.7	86%	0.862	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-78	137.6	174.3	-59.3	176.3	0	0	0	108.2
133	A	95.6	Very high	94.3	Very high	25 Å²	25	69.6 Å²	69.6	21%	0.207	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-66.8	156.9	177.5	0	0	0	0	0	112.4	G135 E299 R300	A133-G135 PolarHBondContact O-N 3.21Å; A133-E299 HydrophobicContact CB-CB 4.06Å; A133-E299 VanDerWaalsContact CB-O 3.3Å; A133-E299 WeakPolarHBondContact CB-O 3.42Å; A133-R300 HydrophobicContact CB-CG 3.95Å
134	P	95.3	Very high	94.2	Very high	7 Å²	7	69.1 Å²	69.1	5%	0.045	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-55.2	134.7	172	-25	34.1	0	0	0	112.2	E138 R139 V304	P134-E138 VanDerWaalsContact CA-OE2 3.27Å; P134-E138 WeakPolarHBondContact CA-OE2 3.49Å; P134-E138 HydrophobicContact CB-CB 4.22Å; P134-R139 PolarHBondContact O-NE 2.88Å; P134-V304 HydrophobicContact CB-CG1 3.91Å; P134-V304 HydrophobicContact CG-CG1 3.76Å
135	G	95.5	Very high	94.2	Very high	36 Å²	36	65.7 Å²	65.7	37%	0.371	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-70.2	169.2	-179.5	0	0	0	0	0	113.1	A133 I137 E138 R139	A133-G135 PolarHBondContact O-N 3.21Å; G135-I137 VanDerWaalsContact C-N 3.28Å; G135-I137 PolarHBondContact O-N 3.35Å; G135-E138 PolarHBondContact N-OE2 3.31Å; G135-E138 PolarHBondContact O-N 3.46Å; G135-E138 VanDerWaalsContact O-N 3.08Å; G135-R139 PolarHBondContact O-N 2.95Å
136	V	95.8	Very high	94.4	Very high	135 Å²	135	64.7 Å²	64.7	82%	0.818	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-57.9	-38.5	-174.6	-179.6	0	0	0	0	112.8	E138 R139	V136-E138 VanDerWaalsContact C-N 3.33Å; V136-R139 PolarHBondContact O-N 3.26Å
137	I	96.6	Very high	94.5	Very high	157 Å²	157	60.9 Å²	60.9	81%	0.805	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-74	-26.5	-178.4	-61.9	169.3	0	0	0	111.8	G135 R139 N305	G135-I137 VanDerWaalsContact C-N 3.28Å; G135-I137 PolarHBondContact O-N 3.35Å; I137-R139 VanDerWaalsContact C-N 3.32Å; I137-N305 PolarHBondContact O-ND2 3.39Å
138	E	96.9	Very high	94.5	Very high	76 Å²	76	59.3 Å²	59.3	36%	0.355	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-81.4	-15.3	-179.2	-61.9	170.6	156.5	0	0	111.9	P134 G135 V136 V304 N305 Y308	P134-E138 VanDerWaalsContact CA-OE2 3.27Å; P134-E138 WeakPolarHBondContact CA-OE2 3.49Å; P134-E138 HydrophobicContact CB-CB 4.22Å; G135-E138 PolarHBondContact N-OE2 3.31Å; G135-E138 PolarHBondContact O-N 3.46Å; G135-E138 VanDerWaalsContact O-N 3.08Å; V136-E138 VanDerWaalsContact C-N 3.33Å; E138-V304 CarbonylContact O-C 3.59Å; E138-V304 VanDerWaalsContact O-CA 3.29Å; E138-V304 WeakPolarHBondContact O-CA 3.34Å; E138-N305 PolarHBondContact O-N 3.34Å; E138-N305 PolarHBondContact O-ND2 2.94Å; E138-Y308 HydrophobicContact CB-CD2 3.9Å; E138-Y308 HydrophobicContact CB-CG 4.37Å; E138-Y308 HydrophobicContact CG-CD2 3.86Å
139	R	96.7	Very high	94.7	Very high	78 Å²	78	57.8 Å²	57.8	29%	0.294	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-81.5	153	-179.7	-69	-172.4	-173.4	-168.3	3.2	112.4	P134 G135 V136 I137 E299 A302 R303	P134-R139 PolarHBondContact O-NE 2.88Å; G135-R139 PolarHBondContact O-N 2.95Å; V136-R139 PolarHBondContact O-N 3.26Å; I137-R139 VanDerWaalsContact C-N 3.32Å; R139-E299 IonicContact CZ-OE2 3.38Å; R139-E299 VanDerWaalsContact CZ-OE2 3.29Å; R139-E299 IonicContact NH1-OE2 3.15Å; R139-E299 PolarHBondContact NH1-OE2 3.27Å; R139-E299 PolarHBondContact NH2-O 3.21Å; R139-E299 IonicContact NH2-OE2 3.98Å; R139-E299 PolarHBondContact NH2-OE2 3.01Å; R139-A302 HydrophobicContact CG-CB 4.34Å; R139-R303 VanDerWaalsContact CA-O 3.29Å; R139-R303 WeakPolarHBondContact CA-O 3.44Å
140	Q	95.6	Very high	94.8	Very high	74 Å²	74	58.2 Å²	58.2	35%	0.346	32%	0.324	S	S	.	.			trans	-122.9	147.2	168.4	-168.1	-176.3	24.2	0	0	109.9	R303 N305	Q140-R303 HydrophobicContact CB-CG 4.23Å; Q140-R303 PolarHBondContact N-O 3.22Å; Q140-N305 HydrophobicContact CB-CB 4.3Å
141	S	96.1	Very high	95.1	Very high	101 Å²	101	54.9 Å²	54.9	71%	0.706	31%	0.309	S	S	*	.			trans	-56.2	142.2	173.9	-60.5	0	0	0	0	112.2	D143	S141-D143 PolarHBondContact O-N 2.87Å
142	V	95.2	Very high	95.3	Very high	26 Å²	26	53.2 Å²	53.2	16%	0.158	29%	0.294	C	S	.	.			trans	-75.5	111.3	176.8	178.2	0	0	0	0	109.7	G160 R161 V377	V142-G160 VanDerWaalsContact CG1-CA 3.46Å; V142-R161 WeakPolarHBondContact CG1-O 3.48Å; V142-V377 HydrophobicContact CB-CG1 4.18Å; V142-V377 HydrophobicContact CG1-CG1 4.15Å
143	D	91.8	Very high	95.3	Very high	89 Å²	89	45.2 Å²	45.2	48%	0.476	25%	0.253	S	S	.	.			trans	-126.2	-2.2	-178.4	69.5	11.2	0	0	0	114.5	S141 R303	S141-D143 PolarHBondContact O-N 2.87Å; D143-R303 IonicContact OD1-CZ 3.24Å; D143-R303 IonicContact OD1-NH1 3.11Å; D143-R303 PolarHBondContact OD1-NH1 3.37Å; D143-R303 IonicContact OD1-NH2 2.66Å; D143-R303 PolarHBondContact OD1-NH2 2.85Å; D143-R303 IonicContact OD2-NH2 3.42Å; D143-R303 PolarHBondContact OD2-NH2 2.85Å
144	Q	92.4	Very high	95.3	Very high	63 Å²	63	44.2 Å²	44.2	29%	0.294	25%	0.245	S	C	.	.	S	Bend	trans	-112	135.6	-177.5	-80.9	166.3	-16.8	0	0	110.5	G160 R161	Q144-G160 CarbonylContact O-C 3.53Å; Q144-G160 WeakPolarHBondContact O-CA 3.29Å; Q144-R161 HydrophobicContact CB-CB 3.99Å; Q144-R161 HydrophobicContact CB-CG 3.89Å; Q144-R161 PolarHBondContact O-N 2.89Å
145	P	94.6	Very high	95.2	Very high	29 Å²	29	44.1 Å²	44.1	19%	0.188	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	148.8	179.1	28.3	-34.1	0	0	0	113	Q147 R161 A381 T383	P145-Q147 VanDerWaalsContact CB-NE2 3.3Å; P145-R161 PolarHBondContact O-NE 3.08Å; P145-A381 VanDerWaalsContact CA-O 3.29Å; P145-A381 WeakPolarHBondContact CA-O 3.5Å; P145-A381 WeakPolarHBondContact CB-O 3.3Å; P145-T383 HydrophobicContact CG-CG2 4.08Å
146	V	96.2	Very high	95	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	109.7	158.6	177.8	0	0	0	0	107.2	T148 I159 R161 I191 T325	V146-T148 PolarHBondContact O-N 2.98Å; V146-I159 HydrophobicContact CB-CB 4.48Å; V146-I159 HydrophobicContact CB-CG2 4.32Å; V146-I159 PolarHBondContact N-O 3.12Å; V146-R161 HydrophobicContact CG2-CB 4.33Å; V146-R161 HydrophobicContact CG2-CG 3.56Å; V146-I191 HydrophobicContact CG1-CD1 4.5Å; V146-I191 HydrophobicContact CG2-CD1 4.15Å; V146-T325 HydrophobicContact CG2-CG2 4.18Å
147	Q	95.3	Very high	95	Very high	33 Å²	33	36.8 Å²	36.8	15%	0.154	19%	0.192	C	C	.	.			trans	-82.3	118.9	-176.3	-57.6	-62.1	-17.7	0	0	109.4	P145 N185 Q186 V441	P145-Q147 VanDerWaalsContact CB-NE2 3.3Å; Q147-N185 PolarHBondContact O-ND2 3.49Å; Q147-Q186 PolarHBondContact O-NE2 2.94Å; Q147-V441 HydrophobicContact CB-CG2 4.49Å; Q147-V441 HydrophobicContact CG-CG2 3.59Å
148	T	96.1	Very high	94.9	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	16%	0.156	C	C	.	.			trans	-79.8	-24.5	177.4	65.9	0	0	0	0	112.2	V146 Y150 V153 D154 I159 A182	V146-T148 PolarHBondContact O-N 2.98Å; T148-Y150 VanDerWaalsContact C-N 3.29Å; T148-Y150 PolarHBondContact OG1-N 3.42Å; T148-V153 HydrophobicContact CG2-CG1 3.87Å; T148-D154 WeakPolarHBondContact CB-OD1 3.36Å; T148-D154 PolarHBondContact N-OD1 3.07Å; T148-D154 PolarHBondContact N-OD2 2.96Å; T148-D154 VanDerWaalsContact OG1-CG 3.26Å; T148-D154 PolarHBondContact OG1-OD1 3.22Å; T148-D154 PolarHBondContact OG1-OD2 2.67Å; T148-I159 HydrophobicContact CG2-CD1 3.71Å; T148-I159 HydrophobicContact CG2-CG1 4.41Å; T148-A182 HydrophobicContact CG2-CB 4.33Å
149	G	95.1	Very high	94.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	88.2	-4.2	-174.3	0	0	0	0	0	113	D154 N185 Q433 M439	G149-D154 PolarHBondContact N-OD2 3.48Å; G149-N185 PolarHBondContact N-ND2 3.32Å; G149-Q433 PolarHBondContact O-NE2 3.36Å; G149-Q433 PolarHBondContact O-OE1 2.92Å; G149-M439 PolarHBondContact O-N 3.39Å
150	Y	96.6	Very high	94.9	Very high	11 Å²	11	22.6 Å²	22.6	4%	0.043	13%	0.126	C	C	.	.			trans	-96.8	121.7	174.6	-82.7	-66.7	0	0	0	111.6	T148 A152 V153 D154 L178 D181 P366 Q433	T148-Y150 VanDerWaalsContact C-N 3.29Å; T148-Y150 PolarHBondContact OG1-N 3.42Å; Y150-A152 PolarHBondContact O-N 3.29Å; Y150-V153 PolarHBondContact O-N 2.98Å; Y150-V153 VanDerWaalsContact O-N 3.08Å; Y150-D154 PolarHBondContact O-N 3.1Å; Y150-L178 HydrophobicContact CD2-CD1 3.23Å; Y150-L178 HydrophobicContact CE2-CD1 3.56Å; Y150-L178 HydrophobicContact CG-CD1 4.14Å; Y150-D181 HydrophobicContact CD2-CB 4.44Å; Y150-D181 HydrophobicContact CE2-CB 3.61Å; Y150-D181 VanDerWaalsContact CZ-OD2 3.25Å; Y150-D181 PolarHBondContact OH-OD2 2.93Å; Y150-P366 HydrophobicContact CD1-CG 3.84Å; Y150-P366 HydrophobicContact CE1-CG 4.17Å; Y150-P366 HydrophobicContact CG-CG 4.29Å; Y150-Q433 HydrophobicContact CD1-CB 3.91Å; Y150-Q433 HydrophobicContact CD1-CG 4.07Å; Y150-Q433 HydrophobicContact CE1-CB 3.99Å; Y150-Q433 HydrophobicContact CE1-CG 4.13Å
151	K	95.2	Very high	95	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-49.7	-45.8	176	-68.3	170.7	-72.3	-176	0	112.1	V153 S155 L430 L431 K432 Q433 M439 Q444 V447 E468	K151-V153 VanDerWaalsContact C-N 3.35Å; K151-V153 PolarHBondContact O-N 3.47Å; K151-S155 WeakPolarHBondContact O-CB 3.28Å; K151-S155 PolarHBondContact O-N 2.99Å; K151-S155 VanDerWaalsContact O-N 3.17Å; K151-S155 PolarHBondContact O-OG 2.94Å; K151-L430 WeakPolarHBondContact CE-O 3.34Å; K151-L430 PolarHBondContact NZ-O 3.28Å; K151-L431 HydrophobicContact CB-CD2 3.87Å; K151-K432 PolarHBondContact NZ-O 3.04Å; K151-Q433 VanDerWaalsContact N-OE1 3.12Å; K151-M439 HydrophobicContact CD-CE 4.21Å; K151-M439 HydrophobicContact CD-SD 3.65Å; K151-M439 HydrophobicContact CG-SD 3.92Å; K151-Q444 HydrophobicContact CG-CB 4.46Å; K151-Q444 HydrophobicContact CG-CG 4Å; K151-V447 HydrophobicContact CD-CG1 4.04Å; K151-E468 WeakPolarHBondContact CD-OE1 3.3Å; K151-E468 WeakPolarHBondContact CE-OE1 3.48Å; K151-E468 IonicContact NZ-OE1 3.01Å; K151-E468 PolarHBondContact NZ-OE1 2.67Å; K151-E468 IonicContact NZ-OE2 2.64Å; K151-E468 PolarHBondContact NZ-OE2 3.17Å
152	A	94.4	Very high	95	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.025	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-38	-176.8	0	0	0	0	0	113	Y150 M156 P366 V368 L431	Y150-A152 PolarHBondContact O-N 3.29Å; A152-M156 HydrophobicContact CB-CE 3.83Å; A152-M156 VanDerWaalsContact O-CB 3.3Å; A152-M156 WeakPolarHBondContact O-CB 3.22Å; A152-M156 WeakPolarHBondContact O-CE 3.18Å; A152-M156 WeakPolarHBondContact O-CG 3.49Å; A152-M156 PolarHBondContact O-N 3.46Å; A152-P366 HydrophobicContact CB-CG 4Å; A152-V368 HydrophobicContact CB-CG2 4.35Å; A152-L431 HydrophobicContact CB-CB 4.49Å
153	V	95.4	Very high	95.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-84.4	-52.9	-177.3	177.9	0	0	0	0	110.3	T148 Y150 K151 S155 M156 I157 I159 L178 I353 V368	T148-V153 HydrophobicContact CG2-CG1 3.87Å; Y150-V153 PolarHBondContact O-N 2.98Å; Y150-V153 VanDerWaalsContact O-N 3.08Å; K151-V153 VanDerWaalsContact C-N 3.35Å; K151-V153 PolarHBondContact O-N 3.47Å; V153-S155 PolarHBondContact O-N 3.33Å; V153-S155 VanDerWaalsContact O-N 3.13Å; V153-M156 PolarHBondContact O-N 3.43Å; V153-I157 WeakPolarHBondContact CG1-O 3.26Å; V153-I157 CarbonylContact O-C 3.45Å; V153-I157 WeakPolarHBondContact O-CA 3.46Å; V153-I157 PolarHBondContact O-N 2.86Å; V153-I159 HydrophobicContact CG1-CD1 4.09Å; V153-I159 HydrophobicContact CG1-CG1 4.29Å; V153-L178 HydrophobicContact CG2-CD1 4.03Å; V153-L178 HydrophobicContact CG2-CD2 4.38Å; V153-I353 HydrophobicContact CG1-CD1 3.72Å; V153-I353 HydrophobicContact CG2-CD1 4.21Å; V153-V368 HydrophobicContact CG2-CG2 4.18Å
154	D	94.9	Very high	95.4	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.027	6%	0.06	C	C	.	.	H	α-helix	trans	-63.1	-26.8	-175.5	-66.6	-14.5	0	0	0	112.6	T148 G149 Y150 Q382 Q444	T148-D154 WeakPolarHBondContact CB-OD1 3.36Å; T148-D154 PolarHBondContact N-OD1 3.07Å; T148-D154 PolarHBondContact N-OD2 2.96Å; T148-D154 VanDerWaalsContact OG1-CG 3.26Å; T148-D154 PolarHBondContact OG1-OD1 3.22Å; T148-D154 PolarHBondContact OG1-OD2 2.67Å; G149-D154 PolarHBondContact N-OD2 3.48Å; Y150-D154 PolarHBondContact O-N 3.1Å; D154-Q382 PolarHBondContact O-NE2 3.32Å; D154-Q444 PolarHBondContact OD2-NE2 3.26Å; D154-Q444 PolarHBondContact OD2-OE1 3.31Å
155	S	92.7	Very high	95.7	Very high	4 Å²	4	9.2 Å²	9.2	3%	0.028	5%	0.046	C	C	.	.	H	α-helix	trans	-83.9	-52.1	173.3	67.6	0	0	0	0	113.7	K151 V153 Q382 S390	K151-S155 WeakPolarHBondContact O-CB 3.28Å; K151-S155 PolarHBondContact O-N 2.99Å; K151-S155 VanDerWaalsContact O-N 3.17Å; K151-S155 PolarHBondContact O-OG 2.94Å; V153-S155 PolarHBondContact O-N 3.33Å; V153-S155 VanDerWaalsContact O-N 3.13Å; S155-Q382 PolarHBondContact O-NE2 3.22Å; S155-S390 VanDerWaalsContact O-CB 3.28Å; S155-S390 WeakPolarHBondContact O-CB 3.36Å
156	M	92	Very high	95.9	Very high	16 Å²	16	7.8 Å²	7.8	8%	0.079	4%	0.037	C	C	.	.	H	α-helix	trans	-90.9	-33.3	-169.3	-57.6	-173.5	-71.3	0	0	113.7	A152 V153 V368 P370 L397 L431	A152-M156 HydrophobicContact CB-CE 3.83Å; A152-M156 VanDerWaalsContact O-CB 3.3Å; A152-M156 WeakPolarHBondContact O-CB 3.22Å; A152-M156 WeakPolarHBondContact O-CE 3.18Å; A152-M156 WeakPolarHBondContact O-CG 3.49Å; A152-M156 PolarHBondContact O-N 3.46Å; V153-M156 PolarHBondContact O-N 3.43Å; M156-V368 HydrophobicContact CE-CG1 4.1Å; M156-P370 HydrophobicContact CE-CB 4.4Å; M156-P370 HydrophobicContact SD-CB 3.76Å; M156-L397 HydrophobicContact SD-CD1 3.42Å; M156-L397 WeakPolarHBondContact SD-CD1 3.39Å; M156-L431 HydrophobicContact CE-CD1 4.01Å; M156-L431 HydrophobicContact SD-CD1 4.13Å
157	I	94.6	Very high	96	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.01	4%	0.036	C	C	.	.	S	Bend	trans	-134.8	67	-170.2	-48.4	149	0	0	0	108	V153 E165 I353 V368	V153-I157 WeakPolarHBondContact CG1-O 3.26Å; V153-I157 CarbonylContact O-C 3.45Å; V153-I157 WeakPolarHBondContact O-CA 3.46Å; V153-I157 PolarHBondContact O-N 2.86Å; I157-E165 WeakPolarHBondContact CG2-OE1 3.48Å; I157-I353 HydrophobicContact CB-CG1 4.39Å; I157-I353 HydrophobicContact CD1-CG1 4.07Å; I157-I353 HydrophobicContact CD1-CG2 4.29Å; I157-I353 HydrophobicContact CG2-CG1 3.83Å; I157-V368 HydrophobicContact CD1-CG1 3.4Å; I157-V368 VanDerWaalsContact CD1-CG1 3.4Å
158	P	94.6	Very high	96.1	Very high	9 Å²	9	6.2 Å²	6.2	6%	0.058	3%	0.029	C	C	.	.			trans	-64	141	-175	28.2	-36.8	0	0	0	111.4	Q163 S375 G378 A381 Q382	P158-Q163 PolarHBondContact O-OE1 3.46Å; P158-S375 WeakPolarHBondContact O-CB 3.33Å; P158-S375 PolarHBondContact O-OG 2.94Å; P158-G378 VanDerWaalsContact CG-O 3.26Å; P158-G378 WeakPolarHBondContact CG-O 3.3Å; P158-A381 HydrophobicContact CB-CB 4.37Å; P158-Q382 HydrophobicContact CB-CG 3.33Å; P158-Q382 HydrophobicContact CG-CG 3.69Å
159	I	97.3	Very high	96.2	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.021	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.6	178.7	-49.1	-175.3	0	0	0	108.3	V146 T148 V153 E165 T325 L327 I353	V146-I159 HydrophobicContact CB-CB 4.48Å; V146-I159 HydrophobicContact CB-CG2 4.32Å; V146-I159 PolarHBondContact N-O 3.12Å; T148-I159 HydrophobicContact CG2-CD1 3.71Å; T148-I159 HydrophobicContact CG2-CG1 4.41Å; V153-I159 HydrophobicContact CG1-CD1 4.09Å; V153-I159 HydrophobicContact CG1-CG1 4.29Å; I159-E165 HydrophobicContact CD1-CB 4.19Å; I159-E165 HydrophobicContact CD1-CG 4.05Å; I159-E165 HydrophobicContact CG1-CB 4.31Å; I159-E165 HydrophobicContact CG1-CG 4.1Å; I159-E165 HydrophobicContact CG2-CB 4.32Å; I159-T325 HydrophobicContact CG2-CG2 3.89Å; I159-L327 HydrophobicContact CD1-CD1 4.44Å; I159-L327 HydrophobicContact CD1-CD2 3.75Å; I159-L327 HydrophobicContact CG2-CD2 4.16Å; I159-I353 HydrophobicContact CD1-CD1 4.14Å
160	G	96.6	Very high	96.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	162.8	178.3	0	0	0	0	0	114.2	V142 Q144 G162 Q163 T325	V142-G160 VanDerWaalsContact CG1-CA 3.46Å; Q144-G160 CarbonylContact O-C 3.53Å; Q144-G160 WeakPolarHBondContact O-CA 3.29Å; G160-G162 PolarHBondContact O-N 3.05Å; G160-Q163 WeakPolarHBondContact O-CB 3.18Å; G160-Q163 PolarHBondContact O-N 2.91Å; G160-T325 WeakPolarHBondContact O-CG2 3.06Å
161	R	97.4	Very high	96	Very high	50 Å²	50	14.7 Å²	14.7	19%	0.189	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	111.3	179.5	-71.4	-169.3	-166.9	-168.8	-2.8	110.9	V142 Q144 P145 V146 D255 S323 T325	V142-R161 WeakPolarHBondContact CG1-O 3.48Å; Q144-R161 HydrophobicContact CB-CB 3.99Å; Q144-R161 HydrophobicContact CB-CG 3.89Å; Q144-R161 PolarHBondContact O-N 2.89Å; P145-R161 PolarHBondContact O-NE 3.08Å; V146-R161 HydrophobicContact CG2-CB 4.33Å; V146-R161 HydrophobicContact CG2-CG 3.56Å; R161-D255 IonicContact CZ-OD2 3.92Å; R161-D255 IonicContact NE-OD2 3.92Å; R161-D255 IonicContact NH1-OD2 3.33Å; R161-D255 PolarHBondContact NH1-OD2 2.8Å; R161-S323 WeakPolarHBondContact CB-OG 3.46Å; R161-T325 WeakPolarHBondContact CA-OG1 3.44Å
162	G	96.9	Very high	95.9	Very high	3 Å²	3	22 Å²	22	3%	0.031	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	2.8	-174	0	0	0	0	0	114.6	G160 T325	G160-G162 PolarHBondContact O-N 3.05Å; G162-T325 PolarHBondContact N-OG1 2.83Å
163	Q	97.7	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.097	C	C	.	.			trans	-79.3	153.4	174.9	-174.8	174.4	-15.3	0	0	111.7	P158 G160 E165 T325 A326 D350 S375 V377	P158-Q163 PolarHBondContact O-OE1 3.46Å; G160-Q163 WeakPolarHBondContact O-CB 3.18Å; G160-Q163 PolarHBondContact O-N 2.91Å; Q163-E165 PolarHBondContact NE2-OE2 3.18Å; Q163-T325 WeakPolarHBondContact O-CA 3.24Å; Q163-T325 WeakPolarHBondContact O-CG2 3.26Å; Q163-A326 PolarHBondContact O-N 2.84Å; Q163-D350 HydrophobicContact CG-CB 3.89Å; Q163-S375 PolarHBondContact NE2-OG 3.04Å; Q163-V377 HydrophobicContact CB-CG2 4.4Å; Q163-V377 HydrophobicContact CG-CG2 3.84Å
164	R	98.3	Very high	95.8	Very high	18 Å²	18	23.3 Å²	23.3	7%	0.068	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-110.6	106.7	171.3	-55	176.4	-54.2	-60.3	-6.7	108.9	L298 E299 A301 A326 I348 T349 D350	R164-L298 WeakPolarHBondContact CD-O 3.46Å; R164-E299 IonicContact NE-OE1 2.62Å; R164-E299 IonicContact NH2-OE1 2.85Å; R164-A301 HydrophobicContact CG-CB 3.9Å; R164-A326 CarbonylContact C-O 3.38Å; R164-A326 WeakPolarHBondContact CA-O 3.4Å; R164-A326 HydrophobicContact CG-CB 4.44Å; R164-I348 PolarHBondContact NE-O 3.07Å; R164-I348 PolarHBondContact NH2-O 3.39Å; R164-T349 HydrophobicContact CB-CG2 4.3Å; R164-T349 WeakPolarHBondContact O-CB 3.47Å; R164-D350 IonicContact CZ-OD1 2.86Å; R164-D350 IonicContact CZ-OD2 3.42Å; R164-D350 PolarHBondContact N-OD2 2.88Å; R164-D350 VanDerWaalsContact N-OD2 3.11Å; R164-D350 IonicContact NE-OD2 2.65Å; R164-D350 IonicContact NH1-OD1 3.53Å; R164-D350 IonicContact NH1-OD2 2.71Å; R164-D350 PolarHBondContact NH1-OD2 3.41Å; R164-D350 IonicContact NH2-OD1 3.37Å; R164-D350 PolarHBondContact NH2-OD1 3.23Å; R164-D350 IonicContact NH2-OD2 3.32Å; R164-D350 PolarHBondContact NH2-OD2 3.12Å; R164-D350 PolarHBondContact O-N 2.94Å
165	E	98.4	Very high	95.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.			trans	-118.5	111	-175.2	-170.4	67.9	-163.6	0	0	111.3	I157 I159 Q163 I167 A326 L327 P328 G351 Q352 I353	I157-E165 WeakPolarHBondContact CG2-OE1 3.48Å; I159-E165 HydrophobicContact CD1-CB 4.19Å; I159-E165 HydrophobicContact CD1-CG 4.05Å; I159-E165 HydrophobicContact CG1-CB 4.31Å; I159-E165 HydrophobicContact CG1-CG 4.1Å; I159-E165 HydrophobicContact CG2-CB 4.32Å; Q163-E165 PolarHBondContact NE2-OE2 3.18Å; E165-I167 PolarHBondContact O-N 3.37Å; E165-A326 PolarHBondContact N-O 2.83Å; E165-L327 HydrophobicContact CB-CD2 3.73Å; E165-L327 WeakPolarHBondContact O-CA 3.44Å; E165-P328 WeakPolarHBondContact O-CD 3.41Å; E165-G351 VanDerWaalsContact OE2-CA 3.28Å; E165-G351 WeakPolarHBondContact OE2-CA 3.32Å; E165-Q352 VanDerWaalsContact OE1-C 3.3Å; E165-Q352 WeakPolarHBondContact OE1-CA 3.44Å; E165-Q352 PolarHBondContact OE1-N 3.42Å; E165-I353 HydrophobicContact CG-CD1 3.98Å; E165-I353 HydrophobicContact CG-CG1 4.03Å
166	L	98.4	Very high	96	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.7	-175.9	174.7	61.6	0	0	0	112	I168 P328 I330 V345 I346 T349 G351 Q352 I353	L166-I168 HydrophobicContact CD1-CB 4.48Å; L166-I168 HydrophobicContact CD2-CB 4.05Å; L166-I168 HydrophobicContact CD2-CD1 4.37Å; L166-I168 HydrophobicContact CD2-CG2 4.14Å; L166-I168 HydrophobicContact CG-CB 3.95Å; L166-I168 HydrophobicContact CG-CG2 4.12Å; L166-P328 HydrophobicContact CD1-CB 4.39Å; L166-P328 HydrophobicContact CD1-CG 4.14Å; L166-P328 WeakPolarHBondContact CD1-O 3.48Å; L166-I330 HydrophobicContact CD1-CB 3.89Å; L166-I330 HydrophobicContact CD1-CG1 3.58Å; L166-V345 HydrophobicContact CD1-CG1 3.72Å; L166-V345 HydrophobicContact CD2-CB 4.41Å; L166-V345 HydrophobicContact CD2-CG1 4.12Å; L166-V345 HydrophobicContact CG-CG1 4.42Å; L166-I346 HydrophobicContact CD2-CB 4.47Å; L166-I346 HydrophobicContact CD2-CG1 3.56Å; L166-T349 HydrophobicContact CB-CG2 3.94Å; L166-G351 WeakPolarHBondContact CB-O 3.43Å; L166-G351 PolarHBondContact N-O 3.28Å; L166-G351 VanDerWaalsContact N-O 3.12Å; L166-Q352 HydrophobicContact CB-CB 3.93Å; L166-Q352 HydrophobicContact CD2-CB 4.22Å; L166-Q352 HydrophobicContact CG-CB 4.31Å; L166-Q352 CarbonylContact O-C 3.57Å; L166-Q352 VanDerWaalsContact O-CA 3.23Å; L166-Q352 WeakPolarHBondContact O-CA 3.39Å; L166-I353 PolarHBondContact O-N 2.73Å
167	I	98.4	Very high	96.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	107.8	166.4	-57.9	172.9	0	0	0	108.3	E165 K175 L178 A179 L327 P328 I329 I330 I353 L355	E165-I167 PolarHBondContact O-N 3.37Å; I167-K175 HydrophobicContact CG2-CB 3.92Å; I167-K175 HydrophobicContact CG2-CG 4.06Å; I167-L178 HydrophobicContact CD1-CD2 4.11Å; I167-L178 HydrophobicContact CD1-CG 4.18Å; I167-L178 HydrophobicContact CG1-CD2 4.34Å; I167-L178 HydrophobicContact CG2-CD2 4.27Å; I167-A179 HydrophobicContact CD1-CB 4.16Å; I167-L327 HydrophobicContact CD1-CB 4.16Å; I167-L327 HydrophobicContact CD1-CD1 4.41Å; I167-P328 PolarHBondContact N-O 3.49Å; I167-I329 HydrophobicContact CB-CG1 4.25Å; I167-I329 CarbonylContact O-C 3.01Å; I167-I329 VanDerWaalsContact O-CA 3.31Å; I167-I329 WeakPolarHBondContact O-CA 3.5Å; I167-I330 PolarHBondContact O-N 3.16Å; I167-I353 HydrophobicContact CG1-CD1 4.35Å; I167-L355 HydrophobicContact CG2-CD1 4.2Å
168	I	97.7	Very high	96.4	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.7	-174.2	178	169.2	0	0	0	110.9	L166 I330 T332 V337 P342 I346 Q352 I353 F354 L355	L166-I168 HydrophobicContact CD1-CB 4.48Å; L166-I168 HydrophobicContact CD2-CB 4.05Å; L166-I168 HydrophobicContact CD2-CD1 4.37Å; L166-I168 HydrophobicContact CD2-CG2 4.14Å; L166-I168 HydrophobicContact CG-CB 3.95Å; L166-I168 HydrophobicContact CG-CG2 4.12Å; I168-I330 WeakPolarHBondContact CA-O 3.48Å; I168-I330 HydrophobicContact CD1-CG2 4.22Å; I168-I330 HydrophobicContact CG1-CB 4.46Å; I168-I330 HydrophobicContact CG1-CG2 4.2Å; I168-T332 HydrophobicContact CD1-CG2 3.67Å; I168-T332 HydrophobicContact CG1-CG2 3.58Å; I168-V337 HydrophobicContact CD1-CG1 4.2Å; I168-P342 HydrophobicContact CD1-CB 3.84Å; I168-I346 HydrophobicContact CD1-CD1 4.16Å; I168-Q352 HydrophobicContact CG2-CB 4.12Å; I168-I353 WeakPolarHBondContact CG2-O 3.35Å; I168-I353 PolarHBondContact N-O 3.32Å; I168-F354 HydrophobicContact CG1-CD2 4.34Å; I168-F354 HydrophobicContact CG2-CB 4.31Å; I168-F354 HydrophobicContact CG2-CD2 3.91Å; I168-F354 WeakPolarHBondContact O-CA 3.47Å; I168-L355 PolarHBondContact O-N 2.81Å
169	G	96.8	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	176.4	172.3	0	0	0	0	0	113	K175 I330 E331 T332	G169-K175 WeakPolarHBondContact O-CD 3.42Å; G169-K175 PolarHBondContact O-NZ 3.29Å; G169-I330 PolarHBondContact N-O 2.86Å; G169-E331 WeakPolarHBondContact O-CA 3.38Å; G169-T332 PolarHBondContact O-N 3.48Å; G169-T332 VanDerWaalsContact O-N 3.13Å; G169-T332 PolarHBondContact O-OG1 3.09Å
170	D	95.2	Very high	96.5	Very high	23 Å²	23	25.3 Å²	25.3	12%	0.123	12%	0.124	C	C	.	.			trans	-69.4	170.8	-176.8	-75.8	-19.9	0	0	0	112.9	Q172 T173 K175 T332 A334 G335 T357	D170-Q172 PolarHBondContact O-N 3.49Å; D170-T173 HydrophobicContact CB-CG2 3.88Å; D170-T173 WeakPolarHBondContact O-CG2 3.35Å; D170-T173 PolarHBondContact O-OG1 3.44Å; D170-K175 VanDerWaalsContact C-NZ 3.31Å; D170-K175 PolarHBondContact O-NZ 3.47Å; D170-T332 PolarHBondContact N-OG1 3.04Å; D170-T332 VanDerWaalsContact N-OG1 3.15Å; D170-T332 WeakPolarHBondContact OD1-CB 3.49Å; D170-T332 PolarHBondContact OD1-OG1 2.84Å; D170-A334 PolarHBondContact OD1-N 3.28Å; D170-G335 WeakPolarHBondContact OD1-CA 3.09Å; D170-G335 PolarHBondContact OD1-N 3.4Å; D170-G335 PolarHBondContact OD2-N 2.87Å; D170-T357 WeakPolarHBondContact CB-OG1 3.49Å; D170-T357 PolarHBondContact OD2-OG1 3.28Å; D170-T357 VanDerWaalsContact OD2-OG1 3.1Å
171	R	92.9	Very high	96.6	Very high	168 Å²	168	25.4 Å²	25.4	63%	0.634	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	137.9	170.5	-175.3	170.3	176.7	-167.4	-3.7	110.6	T173	R171-T173 VanDerWaalsContact C-N 3.33Å; R171-T173 PolarHBondContact O-N 3.01Å
172	Q	92.2	Very high	96.6	Very high	154 Å²	154	23.1 Å²	23.1	72%	0.72	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	24	175.4	-68.2	172.1	-6.5	0	0	116.7	D170	D170-Q172 PolarHBondContact O-N 3.49Å
173	T	93.4	Very high	96.7	Very high	4 Å²	4	23 Å²	23	3%	0.025	12%	0.115	C	C	.	.	S	Bend	trans	-88.1	-0.6	175.8	56.5	0	0	0	0	115.2	D170 R171 F360	D170-T173 HydrophobicContact CB-CG2 3.88Å; D170-T173 WeakPolarHBondContact O-CG2 3.35Å; D170-T173 PolarHBondContact O-OG1 3.44Å; R171-T173 VanDerWaalsContact C-N 3.33Å; R171-T173 PolarHBondContact O-N 3.01Å; T173-F360 WeakPolarHBondContact O-CD2 3.43Å
174	G	94.4	Very high	96.7	Very high	27 Å²	27	23 Å²	23	28%	0.278	12%	0.115	S	C	.	.	S	Bend	trans	98.3	12.9	179.4	0	0	0	0	0	115.9	T176 A177 L178	G174-T176 PolarHBondContact O-N 3.49Å; G174-A177 WeakPolarHBondContact O-CB 3.24Å; G174-A177 PolarHBondContact O-N 3.32Å; G174-A177 VanDerWaalsContact O-N 3.13Å; G174-L178 PolarHBondContact O-N 3.1Å
175	K	97.2	Very high	96.6	Very high	12 Å²	12	23.6 Å²	23.6	5%	0.052	12%	0.119	C	C	.	.	H	α-helix	trans	-50.9	-56.2	179.7	-57	-172.9	-60.6	-94.4	0	113.4	I167 G169 D170 A177 L178 A179 I329 E331 L355	I167-K175 HydrophobicContact CG2-CB 3.92Å; I167-K175 HydrophobicContact CG2-CG 4.06Å; G169-K175 WeakPolarHBondContact O-CD 3.42Å; G169-K175 PolarHBondContact O-NZ 3.29Å; D170-K175 VanDerWaalsContact C-NZ 3.31Å; D170-K175 PolarHBondContact O-NZ 3.47Å; K175-A177 VanDerWaalsContact C-N 3.31Å; K175-A177 PolarHBondContact O-N 3.35Å; K175-L178 PolarHBondContact O-N 3.31Å; K175-A179 PolarHBondContact O-N 3.45Å; K175-A179 VanDerWaalsContact O-N 3.11Å; K175-I329 HydrophobicContact CB-CD1 4.42Å; K175-I329 HydrophobicContact CB-CG2 3.88Å; K175-I329 HydrophobicContact CD-CG2 3.69Å; K175-I329 HydrophobicContact CG-CG2 4.37Å; K175-E331 IonicContact NZ-OE2 2.6Å; K175-L355 HydrophobicContact CB-CD1 4.38Å; K175-L355 HydrophobicContact CG-CD1 3.92Å
176	T	96.3	Very high	96.5	Very high	39 Å²	39	23.8 Å²	23.8	24%	0.239	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-36.6	178.6	-48.2	0	0	0	0	111.5	G174 L178 A179 I180 V208 D261	G174-T176 PolarHBondContact O-N 3.49Å; T176-L178 PolarHBondContact O-N 2.87Å; T176-A179 PolarHBondContact O-N 2.99Å; T176-I180 HydrophobicContact CG2-CG1 4.02Å; T176-I180 WeakPolarHBondContact O-CB 3.28Å; T176-I180 VanDerWaalsContact O-CG1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.43Å; T176-I180 PolarHBondContact O-N 3.39Å; T176-V208 HydrophobicContact CG2-CG2 4.3Å; T176-D261 WeakPolarHBondContact CB-OD2 3.49Å; T176-D261 WeakPolarHBondContact CG2-OD2 3.31Å; T176-D261 PolarHBondContact OG1-OD2 2.83Å
177	A	96.4	Very high	96.2	Very high	21 Å²	21	30.4 Å²	30.4	17%	0.174	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-45.7	177.3	0	0	0	0	0	111.5	G174 K175 A179 I180 D181 Q435	G174-A177 WeakPolarHBondContact O-CB 3.24Å; G174-A177 PolarHBondContact O-N 3.32Å; G174-A177 VanDerWaalsContact O-N 3.13Å; K175-A177 VanDerWaalsContact C-N 3.31Å; K175-A177 PolarHBondContact O-N 3.35Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 2.91Å; A177-I180 PolarHBondContact O-N 3.47Å; A177-D181 WeakPolarHBondContact O-CB 3.21Å; A177-D181 PolarHBondContact O-N 3.49Å; A177-Q435 HydrophobicContact CB-CG 4.12Å; A177-Q435 VanDerWaalsContact CB-NE2 3.3Å
178	L	97.4	Very high	95.8	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-45.8	175	176.2	57.7	0	0	0	111.7	Y150 V153 I167 G174 K175 T176 A182 I353 L355	Y150-L178 HydrophobicContact CD2-CD1 3.23Å; Y150-L178 HydrophobicContact CE2-CD1 3.56Å; Y150-L178 HydrophobicContact CG-CD1 4.14Å; V153-L178 HydrophobicContact CG2-CD1 4.03Å; V153-L178 HydrophobicContact CG2-CD2 4.38Å; I167-L178 HydrophobicContact CD1-CD2 4.11Å; I167-L178 HydrophobicContact CD1-CG 4.18Å; I167-L178 HydrophobicContact CG1-CD2 4.34Å; I167-L178 HydrophobicContact CG2-CD2 4.27Å; G174-L178 PolarHBondContact O-N 3.1Å; K175-L178 PolarHBondContact O-N 3.31Å; T176-L178 PolarHBondContact O-N 2.87Å; L178-A182 PolarHBondContact O-N 3.5Å; L178-A182 VanDerWaalsContact O-N 3.1Å; L178-I353 HydrophobicContact CD2-CD1 4.27Å; L178-I353 HydrophobicContact CD2-CG2 3.96Å; L178-L355 HydrophobicContact CD2-CD1 4.46Å
179	A	97.6	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.9	-40.7	-178.8	0	0	0	0	0	113.5	I167 K175 T176 A177 A182 I183 I259 I329	I167-A179 HydrophobicContact CD1-CB 4.16Å; K175-A179 PolarHBondContact O-N 3.45Å; K175-A179 VanDerWaalsContact O-N 3.11Å; T176-A179 PolarHBondContact O-N 2.99Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 2.91Å; A179-A182 WeakPolarHBondContact O-CB 3.24Å; A179-A182 PolarHBondContact O-N 3Å; A179-I183 PolarHBondContact O-N 2.52Å; A179-I183 VanDerWaalsContact O-N 3.14Å; A179-I259 HydrophobicContact CB-CD1 4.22Å; A179-I259 HydrophobicContact CB-CG1 4.36Å; A179-I259 HydrophobicContact CB-CG2 3.6Å; A179-I329 HydrophobicContact CB-CD1 4.06Å
180	I	97.6	Very high	95.3	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-69.2	-38.6	178.3	-65.1	-52.1	0	0	0	111.5	T176 A177 A182 I183 I184 Y195 V208 L212 Y436	T176-I180 HydrophobicContact CG2-CG1 4.02Å; T176-I180 WeakPolarHBondContact O-CB 3.28Å; T176-I180 VanDerWaalsContact O-CG1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.43Å; T176-I180 PolarHBondContact O-N 3.39Å; A177-I180 PolarHBondContact O-N 3.47Å; I180-A182 VanDerWaalsContact C-N 3.3Å; I180-A182 PolarHBondContact O-N 3.49Å; I180-I183 HydrophobicContact CD1-CD1 4.2Å; I180-I183 WeakPolarHBondContact O-CB 3.44Å; I180-I183 PolarHBondContact O-N 3.49Å; I180-I183 VanDerWaalsContact O-N 3.15Å; I180-I184 HydrophobicContact CG2-CD1 3.93Å; I180-I184 HydrophobicContact CG2-CG1 4.41Å; I180-I184 WeakPolarHBondContact O-CG1 3.38Å; I180-I184 PolarHBondContact O-N 2.78Å; I180-Y195 HydrophobicContact CD1-CD2 3.67Å; I180-Y195 HydrophobicContact CD1-CE2 3.66Å; I180-Y195 HydrophobicContact CD1-CG 4.24Å; I180-V208 HydrophobicContact CD1-CG1 3.41Å; I180-V208 VanDerWaalsContact CD1-CG1 3.41Å; I180-V208 HydrophobicContact CG1-CG1 3.94Å; I180-V208 HydrophobicContact CG1-CG2 4.4Å; I180-L212 HydrophobicContact CG2-CD2 3.99Å; I180-L212 HydrophobicContact CG2-CG 4.49Å; I180-Y436 HydrophobicContact CG2-CE1 4.36Å
181	D	97.7	Very high	95.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-35.3	175.2	-74.3	-11.6	0	0	0	111.5	Y150 A177 I183 I184 N185 Y436	Y150-D181 HydrophobicContact CD2-CB 4.44Å; Y150-D181 HydrophobicContact CE2-CB 3.61Å; Y150-D181 VanDerWaalsContact CZ-OD2 3.25Å; Y150-D181 PolarHBondContact OH-OD2 2.93Å; A177-D181 WeakPolarHBondContact O-CB 3.21Å; A177-D181 PolarHBondContact O-N 3.49Å; D181-I183 VanDerWaalsContact C-N 3.32Å; D181-I183 PolarHBondContact O-N 2.76Å; D181-I184 PolarHBondContact O-N 3.45Å; D181-N185 WeakPolarHBondContact O-CB 3.12Å; D181-N185 PolarHBondContact O-N 2.86Å; D181-Y436 WeakPolarHBondContact OD1-CA 3.32Å; D181-Y436 WeakPolarHBondContact OD1-CD1 3.32Å; D181-Y436 PolarHBondContact OD1-N 3.31Å; D181-Y436 PolarHBondContact OD2-N 3.47Å
182	A	97.7	Very high	95.7	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-39.4	171.2	0	0	0	0	0	112.2	T148 L178 A179 I180 Q186 L327	T148-A182 HydrophobicContact CG2-CB 4.33Å; L178-A182 PolarHBondContact O-N 3.5Å; L178-A182 VanDerWaalsContact O-N 3.1Å; A179-A182 WeakPolarHBondContact O-CB 3.24Å; A179-A182 PolarHBondContact O-N 3Å; I180-A182 VanDerWaalsContact C-N 3.3Å; I180-A182 PolarHBondContact O-N 3.49Å; A182-Q186 WeakPolarHBondContact O-CG 3.27Å; A182-Q186 PolarHBondContact O-NE2 3.24Å; A182-L327 HydrophobicContact CB-CD1 4.3Å
183	I	98.1	Very high	96	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-65.1	-46.8	172.4	-69.2	176.2	0	0	0	111.2	A179 I180 D181 N185 Q186 C193 Y195 L212 A217 T221 I259	A179-I183 PolarHBondContact O-N 2.52Å; A179-I183 VanDerWaalsContact O-N 3.14Å; I180-I183 HydrophobicContact CD1-CD1 4.2Å; I180-I183 WeakPolarHBondContact O-CB 3.44Å; I180-I183 PolarHBondContact O-N 3.49Å; I180-I183 VanDerWaalsContact O-N 3.15Å; D181-I183 VanDerWaalsContact C-N 3.32Å; D181-I183 PolarHBondContact O-N 2.76Å; I183-N185 PolarHBondContact O-N 2.87Å; I183-Q186 WeakPolarHBondContact O-CB 3.32Å; I183-Q186 PolarHBondContact O-N 3.46Å; I183-C193 HydrophobicContact CB-CB 4.44Å; I183-C193 HydrophobicContact CG1-CB 4.13Å; I183-C193 HydrophobicContact CG2-CB 3.77Å; I183-Y195 HydrophobicContact CD1-CD2 4.27Å; I183-Y195 HydrophobicContact CD1-CG 4.46Å; I183-L212 HydrophobicContact CB-CD2 4.21Å; I183-L212 HydrophobicContact CG2-CD2 3.55Å; I183-A217 HydrophobicContact CG2-CB 4.33Å; I183-T221 HydrophobicContact CD1-CG2 4.47Å; I183-T221 HydrophobicContact CG2-CG2 4.29Å; I183-T221 WeakPolarHBondContact CG2-OG1 3.41Å; I183-I259 HydrophobicContact CD1-CG1 3.72Å; I183-I259 HydrophobicContact CG1-CG1 3.98Å
184	I	97.7	Very high	96.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-38	-179.6	-70.8	167.2	0	0	0	110.7	I180 D181 Q186 R187 L212 H215 A217 Y436 P438	I180-I184 HydrophobicContact CG2-CD1 3.93Å; I180-I184 HydrophobicContact CG2-CG1 4.41Å; I180-I184 WeakPolarHBondContact O-CG1 3.38Å; I180-I184 PolarHBondContact O-N 2.78Å; D181-I184 PolarHBondContact O-N 3.45Å; I184-Q186 PolarHBondContact O-N 3.28Å; I184-R187 WeakPolarHBondContact O-CB 3.44Å; I184-R187 WeakPolarHBondContact O-CG 3.49Å; I184-R187 PolarHBondContact O-N 3.08Å; I184-L212 HydrophobicContact CG1-CD2 4.2Å; I184-H215 HydrophobicContact CD1-CB 4.03Å; I184-H215 HydrophobicContact CG1-CB 4.02Å; I184-H215 HydrophobicContact CG2-CB 3.86Å; I184-A217 HydrophobicContact CG1-CB 4.13Å; I184-Y436 HydrophobicContact CD1-CD1 3.74Å; I184-Y436 HydrophobicContact CD1-CE1 4.19Å; I184-P438 HydrophobicContact CG2-CG 4.33Å
185	N	97	Very high	96.5	Very high	29 Å²	29	24.5 Å²	24.5	16%	0.155	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.1	177.3	-157.4	55	0	0	0	114	Q147 G149 D181 I183 P438	Q147-N185 PolarHBondContact O-ND2 3.49Å; G149-N185 PolarHBondContact N-ND2 3.32Å; D181-N185 WeakPolarHBondContact O-CB 3.12Å; D181-N185 PolarHBondContact O-N 2.86Å; I183-N185 PolarHBondContact O-N 2.87Å; N185-P438 HydrophobicContact CB-CB 4.11Å; N185-P438 WeakPolarHBondContact OD1-CB 3.48Å
186	Q	96.7	Very high	96.5	Very high	4 Å²	4	24 Å²	24	2%	0.019	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	5.2	174.1	-52.5	-33.5	-57	0	0	114.2	Q147 A182 I183 I184 D188 S189 I191 C193 N220 L257	Q147-Q186 PolarHBondContact O-NE2 2.94Å; A182-Q186 WeakPolarHBondContact O-CG 3.27Å; A182-Q186 PolarHBondContact O-NE2 3.24Å; I183-Q186 WeakPolarHBondContact O-CB 3.32Å; I183-Q186 PolarHBondContact O-N 3.46Å; I184-Q186 PolarHBondContact O-N 3.28Å; Q186-D188 PolarHBondContact O-N 2.77Å; Q186-S189 WeakPolarHBondContact CA-OG 3.41Å; Q186-S189 PolarHBondContact O-N 3.3Å; Q186-S189 PolarHBondContact O-OG 3.28Å; Q186-S189 PolarHBondContact OE1-OG 2.94Å; Q186-I191 HydrophobicContact CB-CB 4.36Å; Q186-I191 HydrophobicContact CG-CB 4.33Å; Q186-I191 HydrophobicContact CG-CG2 4.44Å; Q186-C193 VanDerWaalsContact CB-SG 3.59Å; Q186-N220 PolarHBondContact O-ND2 2.73Å; Q186-L257 HydrophobicContact CG-CD2 3.96Å
187	R	93	Very high	96.6	Very high	139 Å²	139	22.1 Å²	22.1	53%	0.525	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-31.6	-176.3	66.8	-174.5	177.9	-168.5	-3.3	113.8	I184	I184-R187 WeakPolarHBondContact O-CB 3.44Å; I184-R187 WeakPolarHBondContact O-CG 3.49Å; I184-R187 PolarHBondContact O-N 3.08Å
188	D	88	Confident	96.7	Very high	132 Å²	132	21.1 Å²	21.1	71%	0.706	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.9	7.2	-174.8	56.5	-31.2	0	0	0	113.7	Q186	Q186-D188 PolarHBondContact O-N 2.77Å
189	S	91.6	Very high	96.7	Very high	44 Å²	44	21.3 Å²	21.3	31%	0.308	12%	0.119	S	C	.	.	S	Bend	trans	-86	-8.7	-177.4	74.9	0	0	0	0	114.6	Q186 I191	Q186-S189 WeakPolarHBondContact CA-OG 3.41Å; Q186-S189 PolarHBondContact O-N 3.3Å; Q186-S189 PolarHBondContact O-OG 3.28Å; Q186-S189 PolarHBondContact OE1-OG 2.94Å; S189-I191 VanDerWaalsContact C-N 3.28Å; S189-I191 PolarHBondContact O-N 2.96Å; S189-I191 PolarHBondContact OG-N 3.41Å
190	G	93.7	Very high	96.6	Very high	48 Å²	48	22.5 Å²	22.5	50%	0.495	13%	0.125	S	C	.	.	S	Bend	trans	85.7	-13.4	-174	0	0	0	0	0	114.7
191	I	97.7	Very high	96.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.152	C	C	.	.			trans	-76.1	124.8	179.7	-61.2	173	0	0	0	110.1	V146 Q186 S189 N220 D255 L257	V146-I191 HydrophobicContact CG1-CD1 4.5Å; V146-I191 HydrophobicContact CG2-CD1 4.15Å; Q186-I191 HydrophobicContact CB-CB 4.36Å; Q186-I191 HydrophobicContact CG-CB 4.33Å; Q186-I191 HydrophobicContact CG-CG2 4.44Å; S189-I191 VanDerWaalsContact C-N 3.28Å; S189-I191 PolarHBondContact O-N 2.96Å; S189-I191 PolarHBondContact OG-N 3.41Å; I191-N220 PolarHBondContact O-ND2 2.69Å; I191-D255 WeakPolarHBondContact CA-O 3.34Å; I191-D255 HydrophobicContact CG1-CB 3.98Å; I191-L257 HydrophobicContact CG2-CB 3.76Å
192	K	98.4	Very high	96.4	Very high	30 Å²	30	31.7 Å²	31.7	13%	0.13	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134	178.4	-51.3	-48.7	176.7	-169.5	0	110.4	L104 N220 F249 D255 A256 L257	L104-K192 HydrophobicContact CD1-CD 4.27Å; L104-K192 HydrophobicContact CD2-CB 4.35Å; K192-N220 WeakPolarHBondContact CD-OD1 3.46Å; K192-N220 PolarHBondContact NZ-OD1 2.91Å; K192-N220 VanDerWaalsContact NZ-OD1 3.15Å; K192-F249 HydrophobicContact CB-CD1 4.34Å; K192-F249 HydrophobicContact CB-CD2 4.03Å; K192-F249 HydrophobicContact CB-CE1 4.42Å; K192-F249 HydrophobicContact CB-CE2 4.13Å; K192-F249 HydrophobicContact CB-CG 4.14Å; K192-F249 HydrophobicContact CB-CZ 4.33Å; K192-F249 HydrophobicContact CG-CD1 3.81Å; K192-F249 HydrophobicContact CG-CD2 4.39Å; K192-F249 HydrophobicContact CG-CE1 3.98Å; K192-F249 HydrophobicContact CG-CG 4.03Å; K192-F249 HydrophobicContact CG-CZ 4.36Å; K192-D255 PolarHBondContact N-O 2.95Å; K192-A256 CarbonylContact O-C 3.53Å; K192-A256 WeakPolarHBondContact O-CA 3.39Å; K192-L257 PolarHBondContact O-N 3.22Å
193	C	98.6	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	146.3	-174.5	-68	0	0	0	0	112	I183 Q186 N220 T221 I222 L257	I183-C193 HydrophobicContact CB-CB 4.44Å; I183-C193 HydrophobicContact CG1-CB 4.13Å; I183-C193 HydrophobicContact CG2-CB 3.77Å; Q186-C193 VanDerWaalsContact CB-SG 3.59Å; C193-N220 PolarHBondContact N-O 3.45Å; C193-T221 HydrophobicContact CB-CG2 4.01Å; C193-T221 CarbonylContact O-C 3.53Å; C193-T221 WeakPolarHBondContact O-CA 3.3Å; C193-I222 PolarHBondContact O-N 3.23Å; C193-L257 CarbonylContact C-O 3.03Å; C193-L257 WeakPolarHBondContact CA-O 3.45Å
194	I	98.7	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.9	174.9	-60.1	158	0	0	0	107.7	V196 I222 V224 M245 G246 L257 I258 I259	I194-V196 HydrophobicContact CG2-CG2 3.97Å; I194-I222 CarbonylContact C-O 3.55Å; I194-I222 WeakPolarHBondContact CA-O 3.36Å; I194-I222 HydrophobicContact CG1-CB 4.2Å; I194-I222 HydrophobicContact CG1-CD1 4.29Å; I194-I222 HydrophobicContact CG1-CG1 4.4Å; I194-V224 HydrophobicContact CG2-CG2 4.45Å; I194-M245 HydrophobicContact CD1-CB 4.42Å; I194-G246 VanDerWaalsContact CD1-N 3.26Å; I194-L257 PolarHBondContact N-O 2.68Å; I194-I258 HydrophobicContact CB-CB 4.26Å; I194-I258 HydrophobicContact CB-CD1 4.27Å; I194-I258 HydrophobicContact CB-CG1 4.04Å; I194-I258 HydrophobicContact CG2-CD1 3.9Å; I194-I258 HydrophobicContact CG2-CG1 4.01Å; I194-I258 CarbonylContact O-C 3.57Å; I194-I258 WeakPolarHBondContact O-CA 3.34Å; I194-I259 PolarHBondContact O-N 3.01Å
195	Y	98.7	Very high	96.1	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.7	176	178	-102.3	0	0	0	109.6	I180 I183 A197 V208 I222 V223 V224 I259 D261	I180-Y195 HydrophobicContact CD1-CD2 3.67Å; I180-Y195 HydrophobicContact CD1-CE2 3.66Å; I180-Y195 HydrophobicContact CD1-CG 4.24Å; I183-Y195 HydrophobicContact CD1-CD2 4.27Å; I183-Y195 HydrophobicContact CD1-CG 4.46Å; Y195-A197 HydrophobicContact CE1-CB 3.83Å; Y195-V208 HydrophobicContact CD1-CG1 4.24Å; Y195-V208 HydrophobicContact CE1-CG1 3.91Å; Y195-I222 PolarHBondContact N-O 3.11Å; Y195-V223 HydrophobicContact CD1-CG1 4.18Å; Y195-V223 CarbonylContact O-C 3.59Å; Y195-V223 WeakPolarHBondContact O-CA 3.46Å; Y195-V224 PolarHBondContact O-N 2.72Å; Y195-I259 HydrophobicContact CD2-CB 3.94Å; Y195-I259 HydrophobicContact CD2-CG2 3.93Å; Y195-I259 HydrophobicContact CE2-CG2 4.15Å; Y195-D261 HydrophobicContact CE2-CB 3.87Å; Y195-D261 PolarHBondContact OH-OD2 2.87Å
196	V	98.7	Very high	96.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	108.1	180	-170.1	0	0	0	0	109.4	I194 I198 V224 A238 I258 I259 Y260 D261	I194-V196 HydrophobicContact CG2-CG2 3.97Å; V196-I198 HydrophobicContact CG1-CD1 4.35Å; V196-I198 HydrophobicContact CG1-CG1 3.96Å; V196-V224 CarbonylContact C-O 3.25Å; V196-V224 WeakPolarHBondContact CA-O 3.43Å; V196-V224 HydrophobicContact CB-CB 4.44Å; V196-V224 HydrophobicContact CG1-CB 4.15Å; V196-V224 HydrophobicContact CG1-CG1 4.25Å; V196-V224 HydrophobicContact CG2-CB 4.23Å; V196-V224 HydrophobicContact CG2-CG2 4.47Å; V196-A238 HydrophobicContact CG1-CB 3.96Å; V196-I258 HydrophobicContact CG2-CD1 3.97Å; V196-I258 HydrophobicContact CG2-CG1 4.12Å; V196-I259 PolarHBondContact N-O 3.29Å; V196-Y260 HydrophobicContact CB-CD1 4.05Å; V196-Y260 HydrophobicContact CG2-CD1 4Å; V196-Y260 HydrophobicContact CG2-CE1 4.21Å; V196-D261 PolarHBondContact O-N 3.29Å
197	A	98.4	Very high	96.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.9	176	0	0	0	0	0	110.8	Y195 Q200 I205 V224 A226	Y195-A197 HydrophobicContact CE1-CB 3.83Å; A197-Q200 HydrophobicContact CB-CB 4.35Å; A197-Q200 HydrophobicContact CB-CG 4.27Å; A197-I205 HydrophobicContact CB-CD1 3.7Å; A197-I205 HydrophobicContact CB-CG1 3.81Å; A197-V224 PolarHBondContact N-O 3.47Å; A197-A226 PolarHBondContact O-N 2.95Å
198	I	98.4	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.6	-173.3	-51.6	142.7	0	0	0	108.5	V196 Q200 A226 Q235 A238 P239 D261 D262 L263 K265 Q266	V196-I198 HydrophobicContact CG1-CD1 4.35Å; V196-I198 HydrophobicContact CG1-CG1 3.96Å; I198-Q200 PolarHBondContact O-N 2.98Å; I198-Q200 VanDerWaalsContact O-N 3.08Å; I198-A226 CarbonylContact C-O 3.47Å; I198-Q235 HydrophobicContact CG2-CB 4.19Å; I198-Q235 WeakPolarHBondContact CG2-O 3.43Å; I198-A238 HydrophobicContact CG1-CB 4.43Å; I198-P239 HydrophobicContact CD1-CG 3.54Å; I198-P239 HydrophobicContact CG1-CG 3.92Å; I198-D261 PolarHBondContact N-O 2.9Å; I198-D262 WeakPolarHBondContact CD1-O 3.28Å; I198-L263 HydrophobicContact CD1-CD2 4.1Å; I198-K265 HydrophobicContact CG2-CB 4.28Å; I198-K265 WeakPolarHBondContact O-CD 3.17Å; I198-Q266 HydrophobicContact CG2-CB 4.26Å
199	G	96.7	Very high	96.8	Very high	10 Å²	10	31.9 Å²	31.9	10%	0.103	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.4	20.5	179.2	0	0	0	0	0	114	A226 A228 K265	G199-A226 PolarHBondContact N-O 3.34Å; G199-A228 WeakPolarHBondContact O-CB 3.28Å; G199-K265 WeakPolarHBondContact O-CD 3.35Å
200	Q	96.5	Very high	97	Very high	26 Å²	26	35.9 Å²	35.9	12%	0.121	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	158.1	177.3	-63.3	-65.1	-19.8	0	0	110.9	A197 I198 I205 T227 A228 D261 K265	A197-Q200 HydrophobicContact CB-CB 4.35Å; A197-Q200 HydrophobicContact CB-CG 4.27Å; I198-Q200 PolarHBondContact O-N 2.98Å; I198-Q200 VanDerWaalsContact O-N 3.08Å; Q200-I205 HydrophobicContact CB-CD1 3.89Å; Q200-I205 HydrophobicContact CB-CG1 3.85Å; Q200-T227 WeakPolarHBondContact O-CA 3.42Å; Q200-A228 PolarHBondContact O-N 3.13Å; Q200-D261 WeakPolarHBondContact CG-O 3.27Å; Q200-D261 PolarHBondContact NE2-O 3.27Å; Q200-D261 VanDerWaalsContact NE2-O 3.17Å; Q200-D261 PolarHBondContact NE2-OD1 2.9Å; Q200-K265 VanDerWaalsContact NE2-NZ 3.2Å
201	K	95.9	Very high	97.2	Very high	135 Å²	135	35.9 Å²	35.9	59%	0.587	20%	0.197	S	C	*	.			trans	-69.9	134.8	173.8	-62.8	-176.3	-179.8	-173.5	0	109.8	S203 T204 I205	K201-S203 PolarHBondContact O-N 3.28Å; K201-S203 VanDerWaalsContact O-N 3.15Å; K201-T204 WeakPolarHBondContact O-CB 3.3Å; K201-T204 PolarHBondContact O-N 3.45Å; K201-I205 WeakPolarHBondContact O-CG1 3.36Å; K201-I205 PolarHBondContact O-N 3.2Å; K201-I205 VanDerWaalsContact O-N 3.14Å
202	A	95.2	Very high	97.2	Very high	62 Å²	62	35.9 Å²	35.9	51%	0.512	20%	0.196	S	C	.	.	H	α-helix	trans	-53.5	-37.8	178.3	0	0	0	0	0	113	T204 I205 S206 T227	A202-T204 PolarHBondContact O-N 2.93Å; A202-I205 PolarHBondContact O-N 3.21Å; A202-S206 WeakPolarHBondContact O-CB 3.45Å; A202-S206 PolarHBondContact O-N 3.27Å; A202-T227 HydrophobicContact CB-CG2 4.15Å
203	S	96	Very high	97.1	Very high	73 Å²	73	40.1 Å²	40.1	51%	0.51	22%	0.217	S	C	.	.	H	α-helix	trans	-62.5	-38.6	175.8	60.1	0	0	0	0	113.3	K201 N207	K201-S203 PolarHBondContact O-N 3.28Å; K201-S203 VanDerWaalsContact O-N 3.15Å; S203-N207 VanDerWaalsContact O-CG 3.25Å; S203-N207 PolarHBondContact O-N 2.96Å; S203-N207 VanDerWaalsContact O-N 3.07Å; S203-N207 PolarHBondContact O-ND2 2.96Å
204	T	95.3	Very high	97	Very high	52 Å²	52	45.7 Å²	45.7	32%	0.319	24%	0.243	S	C	.	.	H	α-helix	trans	-67.4	-43.5	177.3	-57.2	0	0	0	0	110.2	K201 A202 N207 V208	K201-T204 WeakPolarHBondContact O-CB 3.3Å; K201-T204 PolarHBondContact O-N 3.45Å; A202-T204 PolarHBondContact O-N 2.93Å; T204-N207 WeakPolarHBondContact O-CB 3.48Å; T204-N207 PolarHBondContact O-N 3.43Å; T204-V208 WeakPolarHBondContact O-CG2 3.42Å; T204-V208 PolarHBondContact O-N 2.86Å
205	I	96.1	Very high	96.9	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-46.6	178.6	-57.6	169.8	0	0	0	110.2	A197 Q200 K201 A202 N207 V208 V209 V225 T227	A197-I205 HydrophobicContact CB-CD1 3.7Å; A197-I205 HydrophobicContact CB-CG1 3.81Å; Q200-I205 HydrophobicContact CB-CD1 3.89Å; Q200-I205 HydrophobicContact CB-CG1 3.85Å; K201-I205 WeakPolarHBondContact O-CG1 3.36Å; K201-I205 PolarHBondContact O-N 3.2Å; K201-I205 VanDerWaalsContact O-N 3.14Å; A202-I205 PolarHBondContact O-N 3.21Å; I205-N207 VanDerWaalsContact C-N 3.3Å; I205-N207 PolarHBondContact O-N 3Å; I205-V208 WeakPolarHBondContact O-CB 3.5Å; I205-V208 PolarHBondContact O-N 3.35Å; I205-V208 VanDerWaalsContact O-N 3.09Å; I205-V209 HydrophobicContact CG2-CG2 4.43Å; I205-V209 WeakPolarHBondContact O-CG2 3.41Å; I205-V209 PolarHBondContact O-N 2.75Å; I205-V225 HydrophobicContact CD1-CG1 3.71Å; I205-V225 HydrophobicContact CG2-CG1 4.44Å; I205-V225 HydrophobicContact CG2-CG2 3.85Å; I205-T227 HydrophobicContact CD1-CG2 4.08Å
206	S	96.4	Very high	96.8	Very high	71 Å²	71	50.2 Å²	50.2	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-41.6	175.5	177.6	0	0	0	0	112.3	A202 V209 R210	A202-S206 WeakPolarHBondContact O-CB 3.45Å; A202-S206 PolarHBondContact O-N 3.27Å; S206-V209 PolarHBondContact O-N 3.31Å; S206-R210 WeakPolarHBondContact O-CB 3.41Å; S206-R210 PolarHBondContact O-N 3.18Å
207	N	96.9	Very high	96.7	Very high	73 Å²	73	50.2 Å²	50.2	39%	0.39	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-39.1	175	-73.9	-26.4	0	0	0	112.6	S203 T204 I205 R210 K211	S203-N207 VanDerWaalsContact O-CG 3.25Å; S203-N207 PolarHBondContact O-N 2.96Å; S203-N207 VanDerWaalsContact O-N 3.07Å; S203-N207 PolarHBondContact O-ND2 2.96Å; T204-N207 WeakPolarHBondContact O-CB 3.48Å; T204-N207 PolarHBondContact O-N 3.43Å; I205-N207 VanDerWaalsContact C-N 3.3Å; I205-N207 PolarHBondContact O-N 3Å; N207-R210 PolarHBondContact OD1-NH1 3.37Å; N207-R210 PolarHBondContact OD1-NH2 3.38Å; N207-K211 WeakPolarHBondContact O-CG 3.15Å; N207-K211 PolarHBondContact O-N 3.34Å
208	V	97.1	Very high	96.6	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.085	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-49.3	175	167	0	0	0	0	110.8	T176 I180 Y195 T204 I205 R210 K211 L212	T176-V208 HydrophobicContact CG2-CG2 4.3Å; I180-V208 HydrophobicContact CD1-CG1 3.41Å; I180-V208 VanDerWaalsContact CD1-CG1 3.41Å; I180-V208 HydrophobicContact CG1-CG1 3.94Å; I180-V208 HydrophobicContact CG1-CG2 4.4Å; Y195-V208 HydrophobicContact CD1-CG1 4.24Å; Y195-V208 HydrophobicContact CE1-CG1 3.91Å; T204-V208 WeakPolarHBondContact O-CG2 3.42Å; T204-V208 PolarHBondContact O-N 2.86Å; I205-V208 WeakPolarHBondContact O-CB 3.5Å; I205-V208 PolarHBondContact O-N 3.35Å; I205-V208 VanDerWaalsContact O-N 3.09Å; V208-R210 VanDerWaalsContact C-N 3.31Å; V208-R210 PolarHBondContact O-N 2.98Å; V208-K211 PolarHBondContact O-N 3.18Å; V208-L212 HydrophobicContact CG1-CD1 4.08Å; V208-L212 HydrophobicContact CG1-CG 4.41Å; V208-L212 WeakPolarHBondContact O-CG 3.21Å; V208-L212 PolarHBondContact O-N 2.95Å
209	V	97.4	Very high	96.6	Very high	22 Å²	22	54.5 Å²	54.5	13%	0.133	31%	0.311	C	S	.	.	H	α-helix	trans	-56.9	-46.3	177.7	174.1	0	0	0	0	110.6	V107 I205 S206 K211 L212 E213 L218 V223	V107-V209 HydrophobicContact CG2-CG1 4.14Å; V107-V209 HydrophobicContact CG2-CG2 4.07Å; I205-V209 HydrophobicContact CG2-CG2 4.43Å; I205-V209 WeakPolarHBondContact O-CG2 3.41Å; I205-V209 PolarHBondContact O-N 2.75Å; S206-V209 PolarHBondContact O-N 3.31Å; V209-K211 VanDerWaalsContact C-N 3.31Å; V209-K211 PolarHBondContact O-N 2.77Å; V209-L212 PolarHBondContact O-N 2.64Å; V209-E213 PolarHBondContact O-N 3.44Å; V209-L218 HydrophobicContact CG1-CD1 4.41Å; V209-L218 HydrophobicContact CG1-CD2 4.14Å; V209-V223 HydrophobicContact CG2-CG1 4.05Å; V209-V223 HydrophobicContact CG2-CG2 4.3Å
210	R	97.3	Very high	96.6	Very high	128 Å²	128	54.9 Å²	54.9	48%	0.483	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-41.2	175.8	-175.1	178.5	65.5	-133.7	-8.2	112.1	S206 N207 V208 E213 E214	S206-R210 WeakPolarHBondContact O-CB 3.41Å; S206-R210 PolarHBondContact O-N 3.18Å; N207-R210 PolarHBondContact OD1-NH1 3.37Å; N207-R210 PolarHBondContact OD1-NH2 3.38Å; V208-R210 VanDerWaalsContact C-N 3.31Å; V208-R210 PolarHBondContact O-N 2.98Å; R210-E213 PolarHBondContact O-N 3.12Å; R210-E214 WeakPolarHBondContact O-CB 3.32Å; R210-E214 PolarHBondContact O-N 3.26Å
211	K	96.9	Very high	96.7	Very high	48 Å²	48	53.7 Å²	53.7	21%	0.209	31%	0.305	C	S	.	.	H	α-helix	trans	-69.7	-36.6	179	-76.5	-72.7	172.2	-159.7	0	112.9	N207 V208 V209 E213 E214 H215 Y436	N207-K211 WeakPolarHBondContact O-CG 3.15Å; N207-K211 PolarHBondContact O-N 3.34Å; V208-K211 PolarHBondContact O-N 3.18Å; V209-K211 VanDerWaalsContact C-N 3.31Å; V209-K211 PolarHBondContact O-N 2.77Å; K211-E213 VanDerWaalsContact C-N 3.32Å; K211-E214 WeakPolarHBondContact CD-OE2 3.47Å; K211-E214 WeakPolarHBondContact CE-OE2 3.44Å; K211-E214 IonicContact NZ-OE1 3.37Å; K211-E214 PolarHBondContact NZ-OE1 2.97Å; K211-E214 IonicContact NZ-OE2 2.67Å; K211-E214 PolarHBondContact NZ-OE2 3.1Å; K211-H215 PolarHBondContact O-N 3.04Å; K211-H215 PolarHBondContact O-ND1 2.65Å; K211-Y436 HydrophobicContact CB-CE1 4.28Å; K211-Y436 HydrophobicContact CD-CE1 4.25Å; K211-Y436 HydrophobicContact CD-CE2 4.02Å; K211-Y436 HydrophobicContact CG-CE1 4.39Å
212	L	97.5	Very high	96.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-38.9	171.6	-69.8	173.2	0	0	0	111.4	I180 I183 I184 V208 V209 G216 A217 L218 T221 V223	I180-L212 HydrophobicContact CG2-CD2 3.99Å; I180-L212 HydrophobicContact CG2-CG 4.49Å; I183-L212 HydrophobicContact CB-CD2 4.21Å; I183-L212 HydrophobicContact CG2-CD2 3.55Å; I184-L212 HydrophobicContact CG1-CD2 4.2Å; V208-L212 HydrophobicContact CG1-CD1 4.08Å; V208-L212 HydrophobicContact CG1-CG 4.41Å; V208-L212 WeakPolarHBondContact O-CG 3.21Å; V208-L212 PolarHBondContact O-N 2.95Å; V209-L212 PolarHBondContact O-N 2.64Å; L212-G216 PolarHBondContact O-N 3.15Å; L212-A217 HydrophobicContact CD2-CB 4.03Å; L212-A217 PolarHBondContact O-N 2.96Å; L212-L218 HydrophobicContact CB-CB 4.16Å; L212-L218 PolarHBondContact O-N 2.88Å; L212-L218 VanDerWaalsContact O-N 3.08Å; L212-T221 HydrophobicContact CD1-CG2 4.2Å; L212-V223 HydrophobicContact CD1-CG2 4.34Å
213	E	96.8	Very high	96.9	Very high	119 Å²	119	44.3 Å²	44.3	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-68.1	-46.4	176	-170.5	168.4	-150.8	0	0	112	V209 R210 K211 H215 G216 L218	V209-E213 PolarHBondContact O-N 3.44Å; R210-E213 PolarHBondContact O-N 3.12Å; K211-E213 VanDerWaalsContact C-N 3.32Å; E213-H215 PolarHBondContact O-N 3.06Å; E213-G216 PolarHBondContact O-N 2.93Å; E213-L218 HydrophobicContact CB-CB 4.26Å; E213-L218 HydrophobicContact CB-CD2 3.95Å; E213-L218 HydrophobicContact CG-CD2 4.25Å
214	E	96.9	Very high	97.1	Very high	118 Å²	118	40.9 Å²	40.9	55%	0.551	23%	0.229	S	C	*	.	H	α-helix	trans	-55.8	-35	177	-175.7	-178	148.3	0	0	112.7	R210 K211	R210-E214 WeakPolarHBondContact O-CB 3.32Å; R210-E214 PolarHBondContact O-N 3.26Å; K211-E214 WeakPolarHBondContact CD-OE2 3.47Å; K211-E214 WeakPolarHBondContact CE-OE2 3.44Å; K211-E214 IonicContact NZ-OE1 3.37Å; K211-E214 PolarHBondContact NZ-OE1 2.97Å; K211-E214 IonicContact NZ-OE2 2.67Å; K211-E214 PolarHBondContact NZ-OE2 3.1Å
215	H	96.2	Very high	97.2	Very high	46 Å²	46	38.6 Å²	38.6	21%	0.213	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6.6	179.1	-65.4	79.5	0	0	0	113.8	I184 K211 E213 A217	I184-H215 HydrophobicContact CD1-CB 4.03Å; I184-H215 HydrophobicContact CG1-CB 4.02Å; I184-H215 HydrophobicContact CG2-CB 3.86Å; K211-H215 PolarHBondContact O-N 3.04Å; K211-H215 PolarHBondContact O-ND1 2.65Å; E213-H215 PolarHBondContact O-N 3.06Å; H215-A217 PolarHBondContact O-N 3.36Å
216	G	96	Very high	97.2	Very high	49 Å²	49	38.2 Å²	38.2	51%	0.505	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	10.7	178.8	0	0	0	0	0	115.2	L212 E213	L212-G216 PolarHBondContact O-N 3.15Å; E213-G216 PolarHBondContact O-N 2.93Å
217	A	97.3	Very high	97.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	19%	0.193	C	C	.	.			trans	-84.3	-21.7	-178.2	0	0	0	0	0	113.2	I183 I184 L212 H215 A219 N220 T221	I183-A217 HydrophobicContact CG2-CB 4.33Å; I184-A217 HydrophobicContact CG1-CB 4.13Å; L212-A217 HydrophobicContact CD2-CB 4.03Å; L212-A217 PolarHBondContact O-N 2.96Å; H215-A217 PolarHBondContact O-N 3.36Å; A217-A219 VanDerWaalsContact C-N 3.29Å; A217-A219 PolarHBondContact O-N 3.05Å; A217-N220 PolarHBondContact O-N 3.44Å; A217-N220 VanDerWaalsContact O-N 3.09Å; A217-T221 PolarHBondContact O-N 3.13Å; A217-T221 PolarHBondContact O-OG1 3.39Å
218	L	97	Very high	97.1	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.047	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-58.4	-40.1	-178.1	-177.8	60.2	0	0	0	111.9	G105 V209 L212 E213 N220 T221 V223	G105-L218 WeakPolarHBondContact CA-O 3.12Å; G105-L218 PolarHBondContact N-O 3.22Å; V209-L218 HydrophobicContact CG1-CD1 4.41Å; V209-L218 HydrophobicContact CG1-CD2 4.14Å; L212-L218 HydrophobicContact CB-CB 4.16Å; L212-L218 PolarHBondContact O-N 2.88Å; L212-L218 VanDerWaalsContact O-N 3.08Å; E213-L218 HydrophobicContact CB-CB 4.26Å; E213-L218 HydrophobicContact CB-CD2 3.95Å; E213-L218 HydrophobicContact CG-CD2 4.25Å; L218-N220 PolarHBondContact O-N 3.35Å; L218-T221 PolarHBondContact O-N 2.85Å; L218-T221 VanDerWaalsContact O-O 3.1Å; L218-V223 HydrophobicContact CD1-CG2 4.23Å
219	A	96.6	Very high	96.9	Very high	80 Å²	80	39.5 Å²	39.5	66%	0.661	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-59.1	-19.6	179.7	0	0	0	0	0	114.1	A217	A217-A219 VanDerWaalsContact C-N 3.29Å; A217-A219 PolarHBondContact O-N 3.05Å
220	N	96.9	Very high	96.7	Very high	18 Å²	18	40.9 Å²	40.9	10%	0.096	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-111.7	12.6	178.2	-169.4	53.9	0	0	0	112.5	Q186 I191 K192 C193 A217 L218	Q186-N220 PolarHBondContact O-ND2 2.73Å; I191-N220 PolarHBondContact O-ND2 2.69Å; K192-N220 WeakPolarHBondContact CD-OD1 3.46Å; K192-N220 PolarHBondContact NZ-OD1 2.91Å; K192-N220 VanDerWaalsContact NZ-OD1 3.15Å; C193-N220 PolarHBondContact N-O 3.45Å; A217-N220 PolarHBondContact O-N 3.44Å; A217-N220 VanDerWaalsContact O-N 3.09Å; L218-N220 PolarHBondContact O-N 3.35Å
221	T	98.3	Very high	96.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.4	-174.3	-53.2	0	0	0	0	112	G105 I183 C193 L212 A217 L218 V223	G105-T221 PolarHBondContact N-O 3.36Å; I183-T221 HydrophobicContact CD1-CG2 4.47Å; I183-T221 HydrophobicContact CG2-CG2 4.29Å; I183-T221 WeakPolarHBondContact CG2-OG1 3.41Å; C193-T221 HydrophobicContact CB-CG2 4.01Å; C193-T221 CarbonylContact O-C 3.53Å; C193-T221 WeakPolarHBondContact O-CA 3.3Å; L212-T221 HydrophobicContact CD1-CG2 4.2Å; A217-T221 PolarHBondContact O-N 3.13Å; A217-T221 PolarHBondContact O-OG1 3.39Å; L218-T221 PolarHBondContact O-N 2.85Å; L218-T221 VanDerWaalsContact O-O 3.1Å; T221-V223 HydrophobicContact CG2-CG2 4.23Å
222	I	98.4	Very high	96.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.6	165.3	-49.7	178.1	0	0	0	108.1	L103 L104 V108 C193 I194 Y195 V224 M245 F249	L103-I222 HydrophobicContact CB-CD1 3.67Å; L103-I222 HydrophobicContact CB-CG1 4.04Å; L103-I222 HydrophobicContact CB-CG2 4.25Å; L103-I222 HydrophobicContact CD2-CD1 4.47Å; L104-I222 HydrophobicContact CD2-CD1 4.5Å; L104-I222 HydrophobicContact CD2-CG1 3.97Å; V108-I222 HydrophobicContact CG2-CG2 4.27Å; C193-I222 PolarHBondContact O-N 3.23Å; I194-I222 CarbonylContact C-O 3.55Å; I194-I222 WeakPolarHBondContact CA-O 3.36Å; I194-I222 HydrophobicContact CG1-CB 4.2Å; I194-I222 HydrophobicContact CG1-CD1 4.29Å; I194-I222 HydrophobicContact CG1-CG1 4.4Å; Y195-I222 PolarHBondContact N-O 3.11Å; I222-V224 HydrophobicContact CG2-CG2 4.37Å; I222-M245 HydrophobicContact CD1-CB 4.2Å; I222-M245 HydrophobicContact CG2-SD 3.92Å; I222-F249 HydrophobicContact CD1-CE2 3.94Å; I222-F249 HydrophobicContact CD1-CZ 4.23Å
223	V	98.5	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	112.3	176.9	179.5	0	0	0	0	109.2	R106 V107 V108 Y195 V209 L212 L218 T221 V225	R106-V223 PolarHBondContact O-N 3.15Å; V107-V223 CarbonylContact C-O 3.45Å; V107-V223 WeakPolarHBondContact CA-O 3.41Å; V107-V223 HydrophobicContact CB-CB 4.41Å; V107-V223 HydrophobicContact CG1-CB 4.15Å; V107-V223 HydrophobicContact CG1-CG1 3.92Å; V107-V223 HydrophobicContact CG2-CB 4.18Å; V108-V223 PolarHBondContact N-O 3.33Å; Y195-V223 HydrophobicContact CD1-CG1 4.18Å; Y195-V223 CarbonylContact O-C 3.59Å; Y195-V223 WeakPolarHBondContact O-CA 3.46Å; V209-V223 HydrophobicContact CG2-CG1 4.05Å; V209-V223 HydrophobicContact CG2-CG2 4.3Å; L212-V223 HydrophobicContact CD1-CG2 4.34Å; L218-V223 HydrophobicContact CD1-CG2 4.23Å; T221-V223 HydrophobicContact CG2-CG2 4.23Å; V223-V225 HydrophobicContact CG1-CG2 3.82Å
224	V	98.5	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.6	175.6	-175.8	0	0	0	0	108.8	V108 I194 Y195 V196 A197 I222 A238 M245	V108-V224 HydrophobicContact CG2-CB 4.48Å; V108-V224 HydrophobicContact CG2-CG2 3.93Å; V108-V224 WeakPolarHBondContact O-CA 3.2Å; I194-V224 HydrophobicContact CG2-CG2 4.45Å; Y195-V224 PolarHBondContact O-N 2.72Å; V196-V224 CarbonylContact C-O 3.25Å; V196-V224 WeakPolarHBondContact CA-O 3.43Å; V196-V224 HydrophobicContact CB-CB 4.44Å; V196-V224 HydrophobicContact CG1-CB 4.15Å; V196-V224 HydrophobicContact CG1-CG1 4.25Å; V196-V224 HydrophobicContact CG2-CB 4.23Å; V196-V224 HydrophobicContact CG2-CG2 4.47Å; A197-V224 PolarHBondContact N-O 3.47Å; I222-V224 HydrophobicContact CG2-CG2 4.37Å; V224-A238 HydrophobicContact CG1-CB 4.46Å; V224-M245 HydrophobicContact CG2-CE 4.31Å; V224-M245 HydrophobicContact CG2-SD 3.63Å
225	V	98	Very high	95.8	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.03	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125	-171.6	-179.8	0	0	0	0	110	V107 V108 I115 I205 V223 T227	V107-V225 HydrophobicContact CG1-CG2 3.48Å; V107-V225 VanDerWaalsContact CG1-CG2 3.48Å; V108-V225 PolarHBondContact O-N 3.44Å; I115-V225 HydrophobicContact CD1-CB 3.7Å; I115-V225 HydrophobicContact CD1-CG1 3.99Å; I115-V225 HydrophobicContact CD1-CG2 3.99Å; I205-V225 HydrophobicContact CD1-CG1 3.71Å; I205-V225 HydrophobicContact CG2-CG1 4.44Å; I205-V225 HydrophobicContact CG2-CG2 3.85Å; V223-V225 HydrophobicContact CG1-CG2 3.82Å; V225-T227 HydrophobicContact CG1-CG2 3.66Å
226	A	97	Very high	95.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	100.6	158.4	0	0	0	0	0	109	A197 I198 G199 E230 Q235 A238	A197-A226 PolarHBondContact O-N 2.95Å; I198-A226 CarbonylContact C-O 3.47Å; G199-A226 PolarHBondContact N-O 3.34Å; A226-E230 WeakPolarHBondContact CA-OE2 3.25Å; A226-Q235 HydrophobicContact CB-CB 4.5Å; A226-Q235 HydrophobicContact CB-CG 4.12Å; A226-A238 HydrophobicContact CB-CB 3.79Å
227	T	96.8	Very high	95.7	Very high	13 Å²	13	21.3 Å²	21.3	8%	0.08	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	163.3	-174.7	61.3	0	0	0	0	112.8	Q200 A202 I205 V225 S229 E230 Q235	Q200-T227 WeakPolarHBondContact O-CA 3.42Å; A202-T227 HydrophobicContact CB-CG2 4.15Å; I205-T227 HydrophobicContact CD1-CG2 4.08Å; V225-T227 HydrophobicContact CG1-CG2 3.66Å; T227-S229 PolarHBondContact O-N 2.95Å; T227-S229 VanDerWaalsContact O-N 3.12Å; T227-S229 PolarHBondContact OG1-OG 3.08Å; T227-E230 WeakPolarHBondContact CB-OE1 3.42Å; T227-E230 PolarHBondContact N-OE1 3.32Å; T227-E230 PolarHBondContact O-N 3.42Å; T227-E230 WeakPolarHBondContact OG1-CG 3.49Å; T227-E230 PolarHBondContact OG1-OE1 3.18Å; T227-Q235 PolarHBondContact O-NE2 2.93Å
228	A	94.3	Very high	95.7	Very high	61 Å²	61	21.2 Å²	21.2	50%	0.504	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.2	174.7	0	0	0	0	0	114.3	G199 Q200	G199-A228 WeakPolarHBondContact O-CB 3.28Å; Q200-A228 PolarHBondContact O-N 3.13Å
229	S	93.1	Very high	95.8	Very high	110 Å²	110	20.8 Å²	20.8	77%	0.769	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-13.4	178.2	43.5	0	0	0	0	114.1	T227	T227-S229 PolarHBondContact O-N 2.95Å; T227-S229 VanDerWaalsContact O-N 3.12Å; T227-S229 PolarHBondContact OG1-OG 3.08Å
230	E	92.2	Very high	95.8	Very high	51 Å²	51	17 Å²	17	24%	0.238	11%	0.11	C	C	.	.	S	Bend	trans	-80.2	162.7	178.7	-78.2	163.8	-125.6	0	0	112	A226 T227 L234 Q235	A226-E230 WeakPolarHBondContact CA-OE2 3.25Å; T227-E230 WeakPolarHBondContact CB-OE1 3.42Å; T227-E230 PolarHBondContact N-OE1 3.32Å; T227-E230 PolarHBondContact O-N 3.42Å; T227-E230 WeakPolarHBondContact OG1-CG 3.49Å; T227-E230 PolarHBondContact OG1-OE1 3.18Å; E230-L234 HydrophobicContact CB-CB 4.41Å; E230-L234 HydrophobicContact CB-CD1 4.09Å; E230-L234 HydrophobicContact CG-CD1 4.25Å; E230-Q235 PolarHBondContact O-NE2 3.45Å
231	S	91.5	Very high	95.9	Very high	29 Å²	29	16.2 Å²	16.2	20%	0.203	11%	0.105	C	C	.	.			trans	-60.7	150.5	-177.2	76	0	0	0	0	111.8	V75 A233 L234 Q235	V75-S231 PolarHBondContact O-OG 3.13Å; S231-A233 PolarHBondContact O-N 3.34Å; S231-A233 VanDerWaalsContact O-N 3.12Å; S231-L234 PolarHBondContact O-N 2.58Å; S231-Q235 PolarHBondContact O-N 3.17Å
232	A	93	Very high	95.8	Very high	13 Å²	13	16.1 Å²	16.1	11%	0.107	11%	0.105	C	C	.	.	H	α-helix	trans	-55.6	-32	176.7	0	0	0	0	0	111.9	Q235 Y236 A269 Q272 I273	A232-Q235 PolarHBondContact O-N 2.87Å; A232-Y236 VanDerWaalsContact O-CB 3.28Å; A232-Y236 WeakPolarHBondContact O-CB 3.46Å; A232-Y236 PolarHBondContact O-N 3.15Å; A232-A269 HydrophobicContact CB-CB 4.25Å; A232-Q272 HydrophobicContact CB-CG 4.43Å; A232-I273 HydrophobicContact CB-CD1 4.24Å; A232-I273 HydrophobicContact CB-CG1 3.88Å
233	A	92.6	Very high	95.8	Very high	2 Å²	2	16.1 Å²	16.1	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-45.1	176.2	0	0	0	0	0	112.7	V74 M76 S231 Y236 L237 I273	V74-A233 HydrophobicContact CB-CB 4.42Å; V74-A233 HydrophobicContact CG1-CB 3.71Å; M76-A233 HydrophobicContact CG-CB 4.22Å; S231-A233 PolarHBondContact O-N 3.34Å; S231-A233 VanDerWaalsContact O-N 3.12Å; A233-Y236 PolarHBondContact O-N 3.14Å; A233-L237 WeakPolarHBondContact O-CB 3.24Å; A233-L237 WeakPolarHBondContact O-CG 3.37Å; A233-L237 PolarHBondContact O-N 3.32Å; A233-I273 HydrophobicContact CB-CD1 4.49Å
234	L	94.1	Very high	95.8	Very high	14 Å²	14	16.1 Å²	16.1	7%	0.073	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-39.1	178.8	-67.5	170.6	0	0	0	111.3	M76 T110 L111 E230 S231 L237 A238	M76-L234 HydrophobicContact CB-CD2 4.06Å; T110-L234 HydrophobicContact CG2-CD2 4.27Å; T110-L234 WeakPolarHBondContact CG2-O 3.39Å; T110-L234 PolarHBondContact OG1-O 3.18Å; L111-L234 HydrophobicContact CD2-CD2 4.49Å; L111-L234 HydrophobicContact CG-CD2 4.18Å; E230-L234 HydrophobicContact CB-CB 4.41Å; E230-L234 HydrophobicContact CB-CD1 4.09Å; E230-L234 HydrophobicContact CG-CD1 4.25Å; S231-L234 PolarHBondContact O-N 2.58Å; L234-L237 PolarHBondContact O-N 2.98Å; L234-A238 WeakPolarHBondContact O-CB 3.27Å; L234-A238 PolarHBondContact O-N 3.21Å
235	Q	96.3	Very high	95.8	Very high	27 Å²	27	16.1 Å²	16.1	13%	0.126	11%	0.105	C	C	.	.	H	α-helix	trans	-66.2	-39.6	175.5	-62.6	-179.8	32.8	0	0	112.1	I198 A226 T227 E230 S231 A232 A269	I198-Q235 HydrophobicContact CG2-CB 4.19Å; I198-Q235 WeakPolarHBondContact CG2-O 3.43Å; A226-Q235 HydrophobicContact CB-CB 4.5Å; A226-Q235 HydrophobicContact CB-CG 4.12Å; T227-Q235 PolarHBondContact O-NE2 2.93Å; E230-Q235 PolarHBondContact O-NE2 3.45Å; S231-Q235 PolarHBondContact O-N 3.17Å; A232-Q235 PolarHBondContact O-N 2.87Å; Q235-A269 HydrophobicContact CB-CB 3.84Å
236	Y	94.8	Very high	95.8	Very high	11 Å²	11	15.9 Å²	15.9	4%	0.043	10%	0.104	C	C	.	.	H	α-helix	trans	-64	-41.8	175.5	156.5	-116.4	0	0	0	112.4	A232 A233 P239 Y240 Q266 Y270 I273 L293 R296	A232-Y236 VanDerWaalsContact O-CB 3.28Å; A232-Y236 WeakPolarHBondContact O-CB 3.46Å; A232-Y236 PolarHBondContact O-N 3.15Å; A233-Y236 PolarHBondContact O-N 3.14Å; Y236-P239 WeakPolarHBondContact O-CD 3.35Å; Y236-Y240 HydrophobicContact CD2-CE2 4.48Å; Y236-Y240 AromaticContact CE2-CE2 3.95Å; Y236-Y240 HydrophobicContact CE2-CE2 3.95Å; Y236-Q266 PolarHBondContact O-NE2 3.44Å; Y236-Y270 AromaticContact CD2-CD2 3.65Å; Y236-Y270 HydrophobicContact CD2-CD2 3.65Å; Y236-Y270 HydrophobicContact CD2-CE2 4.47Å; Y236-Y270 HydrophobicContact CD2-CG 4.16Å; Y236-Y270 AromaticContact CE2-CD2 3.57Å; Y236-Y270 HydrophobicContact CE2-CD2 3.57Å; Y236-Y270 AromaticContact CE2-CE2 3.95Å; Y236-Y270 HydrophobicContact CE2-CE2 3.95Å; Y236-Y270 HydrophobicContact CE2-CG 4.28Å; Y236-Y270 HydrophobicContact CG-CD2 4.28Å; Y236-I273 HydrophobicContact CD1-CD1 3.97Å; Y236-I273 HydrophobicContact CG-CD1 4.04Å; Y236-L293 HydrophobicContact CD2-CD1 3.77Å; Y236-L293 HydrophobicContact CE2-CD1 3.3Å; Y236-R296 PolarHBondContact OH-NH2 3.48Å
237	L	95	Very high	95.9	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-85.5	-21.4	-174.4	-71	167.8	0	0	0	114.3	I62 M76 L95 T110 V129 A233 L234 P239 Y240 A241	I62-L237 HydrophobicContact CD1-CD1 4.42Å; I62-L237 HydrophobicContact CD1-CD2 4.4Å; M76-L237 HydrophobicContact CG-CD1 4.45Å; M76-L237 HydrophobicContact SD-CD1 3.58Å; M76-L237 VanDerWaalsContact SD-CD1 3.58Å; L95-L237 HydrophobicContact CD2-CD1 3.65Å; L95-L237 HydrophobicContact CD2-CD2 3.71Å; L95-L237 HydrophobicContact CD2-CG 4.17Å; T110-L237 HydrophobicContact CG2-CB 3.57Å; V129-L237 HydrophobicContact CG1-CD2 4.42Å; A233-L237 WeakPolarHBondContact O-CB 3.24Å; A233-L237 WeakPolarHBondContact O-CG 3.37Å; A233-L237 PolarHBondContact O-N 3.32Å; L234-L237 PolarHBondContact O-N 2.98Å; L237-P239 VanDerWaalsContact C-CD 3.48Å; L237-Y240 PolarHBondContact O-N 3.27Å; L237-Y240 VanDerWaalsContact O-N 3.07Å; L237-A241 PolarHBondContact O-N 3.44Å
238	A	97.4	Very high	95.9	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-52.2	-43	-176.1	0	0	0	0	0	114.4	T110 V196 I198 V224 A226 L234 Y240 A241 G242	T110-A238 HydrophobicContact CG2-CB 4.32Å; T110-A238 WeakPolarHBondContact OG1-CB 3.35Å; V196-A238 HydrophobicContact CG1-CB 3.96Å; I198-A238 HydrophobicContact CG1-CB 4.43Å; V224-A238 HydrophobicContact CG1-CB 4.46Å; A226-A238 HydrophobicContact CB-CB 3.79Å; L234-A238 WeakPolarHBondContact O-CB 3.27Å; L234-A238 PolarHBondContact O-N 3.21Å; A238-Y240 PolarHBondContact O-N 3.49Å; A238-A241 PolarHBondContact O-N 3.45Å; A238-G242 PolarHBondContact O-N 3.45Å
239	P	98.3	Very high	96.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.3	-38.8	178.2	-26	39.9	0	0	0	113.3	I198 Y236 L237 G242 C243 Y260 L263 Q266 L297	I198-P239 HydrophobicContact CD1-CG 3.54Å; I198-P239 HydrophobicContact CG1-CG 3.92Å; Y236-P239 WeakPolarHBondContact O-CD 3.35Å; L237-P239 VanDerWaalsContact C-CD 3.48Å; P239-G242 PolarHBondContact O-N 3Å; P239-C243 VanDerWaalsContact O-CB 3.31Å; P239-C243 WeakPolarHBondContact O-CB 3.15Å; P239-C243 PolarHBondContact O-N 2.89Å; P239-Y260 HydrophobicContact CB-CD1 3.79Å; P239-Y260 HydrophobicContact CB-CE1 3.86Å; P239-L263 HydrophobicContact CB-CD2 4.27Å; P239-L263 HydrophobicContact CG-CD2 4.11Å; P239-Q266 HydrophobicContact CG-CB 4.43Å; P239-Q266 HydrophobicContact CG-CG 3.99Å; P239-L297 HydrophobicContact CB-CD1 3.87Å; P239-L297 HydrophobicContact CB-CD2 3.49Å; P239-L297 VanDerWaalsContact CB-CD2 3.49Å; P239-L297 HydrophobicContact CB-CG 4.34Å; P239-L297 HydrophobicContact CG-CD2 4.48Å
240	Y	97.6	Very high	96.3	Very high	1 Å²	1	9.1 Å²	9.1	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-68.3	-39.6	177.5	-63.4	-70.6	0	0	0	111.8	V129 Y236 L237 A238 C243 A244 L293 R296 L297	V129-Y240 HydrophobicContact CG1-CG 4.38Å; Y236-Y240 HydrophobicContact CD2-CE2 4.48Å; Y236-Y240 AromaticContact CE2-CE2 3.95Å; Y236-Y240 HydrophobicContact CE2-CE2 3.95Å; L237-Y240 PolarHBondContact O-N 3.27Å; L237-Y240 VanDerWaalsContact O-N 3.07Å; A238-Y240 PolarHBondContact O-N 3.49Å; Y240-C243 PolarHBondContact O-N 3.29Å; Y240-A244 PolarHBondContact O-N 3.1Å; Y240-L293 HydrophobicContact CE2-CD1 4.09Å; Y240-L293 WeakPolarHBondContact OH-CD1 3Å; Y240-L293 PolarHBondContact OH-O 3.38Å; Y240-R296 HydrophobicContact CE1-CG 3.89Å; Y240-R296 PolarHBondContact OH-NE 3.3Å; Y240-R296 VanDerWaalsContact OH-NE 3.14Å; Y240-R296 PolarHBondContact OH-NH2 3.36Å; Y240-L297 HydrophobicContact CD1-CB 4.3Å; Y240-L297 HydrophobicContact CD1-CD1 3.8Å; Y240-L297 HydrophobicContact CE1-CB 3.65Å; Y240-L297 HydrophobicContact CE1-CD1 4.03Å; Y240-L297 HydrophobicContact CE1-CG 4.4Å; Y240-L297 HydrophobicContact CG-CD1 4.36Å
241	A	97.3	Very high	96.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.1	-47.2	173.7	0	0	0	0	0	111.7	V97 T110 L237 A238 C243 A244 M245	V97-A241 HydrophobicContact CG1-CB 3.97Å; T110-A241 HydrophobicContact CG2-CB 4.3Å; T110-A241 VanDerWaalsContact O-CB 3.23Å; T110-A241 WeakPolarHBondContact O-CB 3.29Å; L237-A241 PolarHBondContact O-N 3.44Å; A238-A241 PolarHBondContact O-N 3.45Å; A241-C243 VanDerWaalsContact C-N 3.33Å; A241-C243 PolarHBondContact O-N 2.88Å; A241-A244 PolarHBondContact O-N 2.85Å; A241-M245 WeakPolarHBondContact O-CG 3.28Å; A241-M245 PolarHBondContact O-N 2.95Å; A241-M245 VanDerWaalsContact O-N 3.15Å
242	G	98	Very high	96.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62.3	-39.6	175	0	0	0	0	0	112.7	A238 P239 M245 G246 I258	A238-G242 PolarHBondContact O-N 3.45Å; P239-G242 PolarHBondContact O-N 3Å; G242-M245 PolarHBondContact O-N 2.63Å; G242-G246 PolarHBondContact O-N 3.25Å; G242-I258 WeakPolarHBondContact O-CD1 3.12Å
243	C	98.3	Very high	97	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.4	-47.2	175.7	-175.8	0	0	0	0	111.3	P239 Y240 A241 M245 G246 E247 L297 R300	P239-C243 VanDerWaalsContact O-CB 3.31Å; P239-C243 WeakPolarHBondContact O-CB 3.15Å; P239-C243 PolarHBondContact O-N 2.89Å; Y240-C243 PolarHBondContact O-N 3.29Å; A241-C243 VanDerWaalsContact C-N 3.33Å; A241-C243 PolarHBondContact O-N 2.88Å; C243-M245 VanDerWaalsContact C-N 3.27Å; C243-M245 PolarHBondContact O-N 2.86Å; C243-G246 CarbonylContact O-C 3.53Å; C243-G246 WeakPolarHBondContact O-CA 3.45Å; C243-G246 PolarHBondContact O-N 3.41Å; C243-E247 WeakPolarHBondContact O-CG 3.46Å; C243-E247 PolarHBondContact O-N 3.07Å; C243-L297 HydrophobicContact CB-CD1 4.02Å; C243-R300 WeakPolarHBondContact SG-CB 3.45Å; C243-R300 PolarHBondContact SG-NE 3.41Å; C243-R300 VanDerWaalsContact SG-NE 3.44Å
244	A	97.9	Very high	97.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.5	-36.8	176.5	0	0	0	0	0	112.8	V97 Y240 A241 G246 Y248	V97-A244 HydrophobicContact CG2-CB 3.74Å; Y240-A244 PolarHBondContact O-N 3.1Å; A241-A244 PolarHBondContact O-N 2.85Å; A244-G246 VanDerWaalsContact C-N 3.34Å; A244-Y248 PolarHBondContact O-N 3.24Å
245	M	98.2	Very high	97.5	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-67.3	-32.6	172.9	-63.9	170.2	-172.2	0	0	112.6	V97 V99 L103 V108 I194 I222 V224 A241 G242 C243 Y248 F249	V97-M245 HydrophobicContact CB-CE 4.45Å; V99-M245 HydrophobicContact CG1-CG 4.43Å; L103-M245 HydrophobicContact CD2-CE 3.94Å; L103-M245 HydrophobicContact CD2-CG 3.97Å; L103-M245 HydrophobicContact CD2-SD 3.78Å; V108-M245 HydrophobicContact CG2-CE 3.88Å; V108-M245 HydrophobicContact CG2-SD 4.21Å; I194-M245 HydrophobicContact CD1-CB 4.42Å; I222-M245 HydrophobicContact CD1-CB 4.2Å; I222-M245 HydrophobicContact CG2-SD 3.92Å; V224-M245 HydrophobicContact CG2-CE 4.31Å; V224-M245 HydrophobicContact CG2-SD 3.63Å; A241-M245 WeakPolarHBondContact O-CG 3.28Å; A241-M245 PolarHBondContact O-N 2.95Å; A241-M245 VanDerWaalsContact O-N 3.15Å; G242-M245 PolarHBondContact O-N 2.63Å; C243-M245 VanDerWaalsContact C-N 3.27Å; C243-M245 PolarHBondContact O-N 2.86Å; M245-Y248 WeakPolarHBondContact O-CB 3.44Å; M245-F249 WeakPolarHBondContact O-CD2 3.49Å; M245-F249 WeakPolarHBondContact O-CE2 3.46Å
246	G	98	Very high	97.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-76	-38.2	176	0	0	0	0	0	113.8	I194 G242 C243 A244 Y248 F249 R250	I194-G246 VanDerWaalsContact CD1-N 3.26Å; G242-G246 PolarHBondContact O-N 3.25Å; C243-G246 CarbonylContact O-C 3.53Å; C243-G246 WeakPolarHBondContact O-CA 3.45Å; C243-G246 PolarHBondContact O-N 3.41Å; A244-G246 VanDerWaalsContact C-N 3.34Å; G246-Y248 PolarHBondContact O-N 3.04Å; G246-F249 PolarHBondContact O-N 2.9Å; G246-F249 VanDerWaalsContact O-N 3.09Å; G246-R250 PolarHBondContact O-N 2.9Å; G246-R250 VanDerWaalsContact O-N 3.17Å
247	E	98.3	Very high	97.8	Very high	8 Å²	8	10.3 Å²	10.3	4%	0.037	5%	0.047	C	C	.	.	H	α-helix	trans	-61.8	-30.4	175.2	-70	-168.2	146.6	0	0	112.4	C243 F249 R250 D251 R300 L324	C243-E247 WeakPolarHBondContact O-CG 3.46Å; C243-E247 PolarHBondContact O-N 3.07Å; E247-F249 VanDerWaalsContact C-N 3.28Å; E247-F249 PolarHBondContact O-N 3.06Å; E247-R250 VanDerWaalsContact CD-NH2 3.3Å; E247-R250 PolarHBondContact O-N 3.47Å; E247-R250 IonicContact OE1-CZ 3.76Å; E247-R250 IonicContact OE1-NH1 2.73Å; E247-R250 PolarHBondContact OE1-NH1 2.88Å; E247-R250 IonicContact OE1-NH2 3.53Å; E247-R250 PolarHBondContact OE1-NH2 3.09Å; E247-R250 VanDerWaalsContact OE1-NH2 3.15Å; E247-R250 IonicContact OE2-NH2 2.79Å; E247-D251 WeakPolarHBondContact O-CB 3.38Å; E247-D251 VanDerWaalsContact O-CG 3.24Å; E247-D251 PolarHBondContact O-N 3.43Å; E247-R300 VanDerWaalsContact CD-NH2 3.32Å; E247-R300 WeakPolarHBondContact OE1-CB 3.38Å; E247-R300 IonicContact OE1-CZ 3.63Å; E247-R300 IonicContact OE1-NE 3.61Å; E247-R300 PolarHBondContact OE1-NE 3.01Å; E247-R300 IonicContact OE1-NH2 2.81Å; E247-R300 IonicContact OE2-CZ 2.83Å; E247-R300 IonicContact OE2-NE 3.54Å; E247-R300 PolarHBondContact OE2-NE 2.58Å; E247-R300 IonicContact OE2-NH2 3.66Å; E247-R300 PolarHBondContact OE2-NH2 2.85Å; E247-L324 HydrophobicContact CG-CD2 4.25Å
248	Y	98	Very high	97.9	Very high	29 Å²	29	10.2 Å²	10.2	11%	0.114	5%	0.047	C	C	.	.	H	α-helix	trans	-49.1	-52.4	170.1	176.7	-87.8	0	0	0	110.7	V99 R101 D124 A244 M245 G246 R252	V99-Y248 HydrophobicContact CB-CD2 4Å; V99-Y248 HydrophobicContact CB-CG 4.24Å; V99-Y248 HydrophobicContact CG2-CD2 3.8Å; R101-Y248 HydrophobicContact CG-CE1 3.89Å; D124-Y248 HydrophobicContact CB-CE2 3.95Å; D124-Y248 VanDerWaalsContact OD2-CZ 3.32Å; D124-Y248 PolarHBondContact OD2-OH 2.97Å; A244-Y248 PolarHBondContact O-N 3.24Å; M245-Y248 WeakPolarHBondContact O-CB 3.44Å; G246-Y248 PolarHBondContact O-N 3.04Å; Y248-R252 WeakPolarHBondContact O-CD 3.37Å; Y248-R252 PolarHBondContact O-NH1 3.35Å; Y248-R252 VanDerWaalsContact O-NH1 3.12Å
249	F	98	Very high	98	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-69.8	-44.3	179.7	-55.4	-70.6	0	0	0	112.5	R101 L104 K192 I222 M245 G246 E247 D251 R252 E254 A256	R101-F249 HydrophobicContact CG-CE1 4.16Å; L104-F249 HydrophobicContact CD1-CE1 4.47Å; L104-F249 HydrophobicContact CD1-CZ 4.41Å; L104-F249 HydrophobicContact CD2-CZ 4.08Å; L104-F249 HydrophobicContact CG-CZ 4.22Å; K192-F249 HydrophobicContact CB-CD1 4.34Å; K192-F249 HydrophobicContact CB-CD2 4.03Å; K192-F249 HydrophobicContact CB-CE1 4.42Å; K192-F249 HydrophobicContact CB-CE2 4.13Å; K192-F249 HydrophobicContact CB-CG 4.14Å; K192-F249 HydrophobicContact CB-CZ 4.33Å; K192-F249 HydrophobicContact CG-CD1 3.81Å; K192-F249 HydrophobicContact CG-CD2 4.39Å; K192-F249 HydrophobicContact CG-CE1 3.98Å; K192-F249 HydrophobicContact CG-CG 4.03Å; K192-F249 HydrophobicContact CG-CZ 4.36Å; I222-F249 HydrophobicContact CD1-CE2 3.94Å; I222-F249 HydrophobicContact CD1-CZ 4.23Å; M245-F249 WeakPolarHBondContact O-CD2 3.49Å; M245-F249 WeakPolarHBondContact O-CE2 3.46Å; G246-F249 PolarHBondContact O-N 2.9Å; G246-F249 VanDerWaalsContact O-N 3.09Å; E247-F249 VanDerWaalsContact C-N 3.28Å; E247-F249 PolarHBondContact O-N 3.06Å; F249-D251 VanDerWaalsContact C-N 3.32Å; F249-D251 PolarHBondContact O-N 3.38Å; F249-R252 PolarHBondContact O-N 2.89Å; F249-E254 HydrophobicContact CB-CB 4.03Å; F249-E254 WeakPolarHBondContact O-CB 3.44Å; F249-E254 PolarHBondContact O-N 3.15Å; F249-A256 HydrophobicContact CB-CB 4.15Å; F249-A256 HydrophobicContact CD2-CB 4.28Å
250	R	98	Very high	98	Very high	4 Å²	4	10.2 Å²	10.2	2%	0.015	5%	0.047	C	C	.	.	H	α-helix	trans	-53.2	-48.9	178.9	-177.3	-163.6	70.2	-158.6	-7.5	111.5	G246 E247 R252 G253 R300 V304 G322 L324	G246-R250 PolarHBondContact O-N 2.9Å; G246-R250 VanDerWaalsContact O-N 3.17Å; E247-R250 VanDerWaalsContact CD-NH2 3.3Å; E247-R250 PolarHBondContact O-N 3.47Å; E247-R250 IonicContact OE1-CZ 3.76Å; E247-R250 IonicContact OE1-NH1 2.73Å; E247-R250 PolarHBondContact OE1-NH1 2.88Å; E247-R250 IonicContact OE1-NH2 3.53Å; E247-R250 PolarHBondContact OE1-NH2 3.09Å; E247-R250 VanDerWaalsContact OE1-NH2 3.15Å; E247-R250 IonicContact OE2-NH2 2.79Å; R250-R252 PolarHBondContact O-N 3.43Å; R250-G253 PolarHBondContact O-N 2.92Å; R250-R300 PolarHBondContact NH1-O 3.43Å; R250-V304 HydrophobicContact CG-CG2 4.18Å; R250-G322 WeakPolarHBondContact O-CA 3.47Å; R250-L324 HydrophobicContact CB-CB 4.3Å; R250-L324 HydrophobicContact CG-CB 4.4Å
251	D	97.5	Very high	98	Very high	9 Å²	9	10.3 Å²	10.3	5%	0.048	5%	0.047	C	C	.	.	H	α-helix	trans	-75.6	-8.4	-172	-60	-29.7	0	0	0	113.2	E247 F249 Y308 F312 T313	E247-D251 WeakPolarHBondContact O-CB 3.38Å; E247-D251 VanDerWaalsContact O-CG 3.24Å; E247-D251 PolarHBondContact O-N 3.43Å; F249-D251 VanDerWaalsContact C-N 3.32Å; F249-D251 PolarHBondContact O-N 3.38Å; D251-Y308 HydrophobicContact CB-CE1 4.37Å; D251-Y308 WeakPolarHBondContact OD1-CE1 3.45Å; D251-Y308 PolarHBondContact OD1-OH 3.28Å; D251-F312 HydrophobicContact CB-CD1 3.65Å; D251-F312 HydrophobicContact CB-CD2 4.27Å; D251-F312 HydrophobicContact CB-CE1 3.56Å; D251-F312 HydrophobicContact CB-CE2 4.17Å; D251-F312 HydrophobicContact CB-CG 4.02Å; D251-F312 HydrophobicContact CB-CZ 3.83Å; D251-F312 WeakPolarHBondContact O-CD1 3.22Å; D251-T313 WeakPolarHBondContact O-CG2 3.44Å
252	R	97.5	Very high	97.9	Very high	82 Å²	82	10.4 Å²	10.4	31%	0.309	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	16.3	173.2	-70.6	87.8	-179.9	149.8	-4	112.9	Y248 F249 R250 E254 T313	Y248-R252 WeakPolarHBondContact O-CD 3.37Å; Y248-R252 PolarHBondContact O-NH1 3.35Å; Y248-R252 VanDerWaalsContact O-NH1 3.12Å; F249-R252 PolarHBondContact O-N 2.89Å; R250-R252 PolarHBondContact O-N 3.43Å; R252-E254 VanDerWaalsContact C-N 3.26Å; R252-E254 PolarHBondContact O-N 3.23Å; R252-T313 HydrophobicContact CB-CG2 4.45Å; R252-T313 HydrophobicContact CG-CG2 4.12Å
253	G	96.8	Very high	97.9	Very high	10 Å²	10	10.4 Å²	10.4	10%	0.103	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	21.5	179	0	0	0	0	0	113.8	R250	R250-G253 PolarHBondContact O-N 2.92Å
254	E	97.5	Very high	97.8	Very high	48 Å²	48	11.3 Å²	11.3	22%	0.224	5%	0.054	C	C	.	.			trans	-98.1	166.5	167.5	-68.3	-177	-87.7	0	0	109.8	R101 F249 R252 G322 S323	R101-E254 IonicContact CZ-OE2 3.76Å; R101-E254 IonicContact NE-OE1 3.3Å; R101-E254 IonicContact NE-OE2 3.98Å; R101-E254 IonicContact NH2-OE2 3.82Å; R101-E254 PolarHBondContact NH2-OE2 3.33Å; F249-E254 HydrophobicContact CB-CB 4.03Å; F249-E254 WeakPolarHBondContact O-CB 3.44Å; F249-E254 PolarHBondContact O-N 3.15Å; R252-E254 VanDerWaalsContact C-N 3.26Å; R252-E254 PolarHBondContact O-N 3.23Å; E254-G322 VanDerWaalsContact O-CA 3.25Å; E254-G322 WeakPolarHBondContact O-CA 3.36Å; E254-S323 PolarHBondContact O-N 2.74Å
255	D	98.3	Very high	97.7	Very high	22 Å²	22	13.9 Å²	13.9	12%	0.118	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.1	178.6	-64.7	-55.4	0	0	0	111.1	R161 I191 K192 S323	R161-D255 IonicContact CZ-OD2 3.92Å; R161-D255 IonicContact NE-OD2 3.92Å; R161-D255 IonicContact NH1-OD2 3.33Å; R161-D255 PolarHBondContact NH1-OD2 2.8Å; I191-D255 WeakPolarHBondContact CA-O 3.34Å; I191-D255 HydrophobicContact CG1-CB 3.98Å; K192-D255 PolarHBondContact N-O 2.95Å; D255-S323 CarbonylContact C-O 3.57Å; D255-S323 WeakPolarHBondContact CA-O 3.46Å; D255-S323 WeakPolarHBondContact OD1-CB 3.22Å; D255-S323 PolarHBondContact OD1-N 3Å; D255-S323 PolarHBondContact OD1-OG 3.02Å
256	A	98.5	Very high	97.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.9	175.5	0	0	0	0	0	112.4	K192 F249 S323 L324 T325	K192-A256 CarbonylContact O-C 3.53Å; K192-A256 WeakPolarHBondContact O-CA 3.39Å; F249-A256 HydrophobicContact CB-CB 4.15Å; F249-A256 HydrophobicContact CD2-CB 4.28Å; A256-S323 PolarHBondContact N-O 2.79Å; A256-L324 HydrophobicContact CB-CD1 3.73Å; A256-L324 WeakPolarHBondContact O-CA 3.42Å; A256-T325 PolarHBondContact O-N 2.98Å
257	L	98.7	Very high	97.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.1	172.6	173.2	63.9	0	0	0	108.5	Q186 I191 K192 C193 I194 I259 T325 L327	Q186-L257 HydrophobicContact CG-CD2 3.96Å; I191-L257 HydrophobicContact CG2-CB 3.76Å; K192-L257 PolarHBondContact O-N 3.22Å; C193-L257 CarbonylContact C-O 3.03Å; C193-L257 WeakPolarHBondContact CA-O 3.45Å; I194-L257 PolarHBondContact N-O 2.68Å; L257-I259 HydrophobicContact CD1-CD1 4.29Å; L257-I259 HydrophobicContact CD2-CD1 4.49Å; L257-I259 HydrophobicContact CG-CD1 4.23Å; L257-T325 CarbonylContact C-O 3.59Å; L257-T325 WeakPolarHBondContact CA-O 3.36Å; L257-T325 HydrophobicContact CD1-CG2 3.96Å; L257-L327 HydrophobicContact CD1-CD1 4.1Å; L257-L327 HydrophobicContact CD1-CG 3.93Å
258	I	98.8	Very high	97.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.5	177.4	-172.1	158.4	0	0	0	111.7	I194 V196 G242 Y260 L324 T325 A326 L327	I194-I258 HydrophobicContact CB-CB 4.26Å; I194-I258 HydrophobicContact CB-CD1 4.27Å; I194-I258 HydrophobicContact CB-CG1 4.04Å; I194-I258 HydrophobicContact CG2-CD1 3.9Å; I194-I258 HydrophobicContact CG2-CG1 4.01Å; I194-I258 CarbonylContact O-C 3.57Å; I194-I258 WeakPolarHBondContact O-CA 3.34Å; V196-I258 HydrophobicContact CG2-CD1 3.97Å; V196-I258 HydrophobicContact CG2-CG1 4.12Å; G242-I258 WeakPolarHBondContact O-CD1 3.12Å; I258-Y260 HydrophobicContact CD1-CD1 4.34Å; I258-Y260 HydrophobicContact CD1-CE1 3.43Å; I258-Y260 VanDerWaalsContact CD1-CE1 3.43Å; I258-Y260 WeakPolarHBondContact CD1-OH 3.45Å; I258-Y260 HydrophobicContact CG1-CD1 4.23Å; I258-Y260 HydrophobicContact CG1-CE1 3.69Å; I258-Y260 HydrophobicContact CG1-CE2 4.32Å; I258-Y260 HydrophobicContact CG2-CE2 3.98Å; I258-L324 HydrophobicContact CB-CD1 4.08Å; I258-L324 HydrophobicContact CG2-CD1 3.76Å; I258-L324 HydrophobicContact CG2-CD2 4.49Å; I258-L324 HydrophobicContact CG2-CG 4.12Å; I258-T325 WeakPolarHBondContact CG2-O 3.41Å; I258-T325 PolarHBondContact N-O 2.88Å; I258-A326 HydrophobicContact CG2-CB 3.78Å; I258-A326 CarbonylContact O-C 3.6Å; I258-A326 WeakPolarHBondContact O-CA 3.46Å; I258-L327 PolarHBondContact O-N 2.84Å
259	I	98.8	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.7	174.5	-48.8	-57.6	0	0	0	108.8	A179 I183 I194 Y195 V196 L257 L327 I329	A179-I259 HydrophobicContact CB-CD1 4.22Å; A179-I259 HydrophobicContact CB-CG1 4.36Å; A179-I259 HydrophobicContact CB-CG2 3.6Å; I183-I259 HydrophobicContact CD1-CG1 3.72Å; I183-I259 HydrophobicContact CG1-CG1 3.98Å; I194-I259 PolarHBondContact O-N 3.01Å; Y195-I259 HydrophobicContact CD2-CB 3.94Å; Y195-I259 HydrophobicContact CD2-CG2 3.93Å; Y195-I259 HydrophobicContact CE2-CG2 4.15Å; V196-I259 PolarHBondContact N-O 3.29Å; L257-I259 HydrophobicContact CD1-CD1 4.29Å; L257-I259 HydrophobicContact CD2-CD1 4.49Å; L257-I259 HydrophobicContact CG-CD1 4.23Å; I259-L327 HydrophobicContact CD1-CB 3.57Å; I259-L327 HydrophobicContact CD1-CD1 3.56Å; I259-L327 HydrophobicContact CD1-CG 3.76Å; I259-I329 HydrophobicContact CG2-CD1 4.19Å
260	Y	98.7	Very high	97.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.8	173.2	-52.2	-73	0	0	0	110.3	V196 P239 I258 L263 L297 L298 A326 L327 P328 I329	V196-Y260 HydrophobicContact CB-CD1 4.05Å; V196-Y260 HydrophobicContact CG2-CD1 4Å; V196-Y260 HydrophobicContact CG2-CE1 4.21Å; P239-Y260 HydrophobicContact CB-CD1 3.79Å; P239-Y260 HydrophobicContact CB-CE1 3.86Å; I258-Y260 HydrophobicContact CD1-CD1 4.34Å; I258-Y260 HydrophobicContact CD1-CE1 3.43Å; I258-Y260 VanDerWaalsContact CD1-CE1 3.43Å; I258-Y260 WeakPolarHBondContact CD1-OH 3.45Å; I258-Y260 HydrophobicContact CG1-CD1 4.23Å; I258-Y260 HydrophobicContact CG1-CE1 3.69Å; I258-Y260 HydrophobicContact CG1-CE2 4.32Å; I258-Y260 HydrophobicContact CG2-CE2 3.98Å; Y260-L263 HydrophobicContact CD1-CD2 4.42Å; Y260-L263 HydrophobicContact CD2-CD2 4.42Å; Y260-L263 HydrophobicContact CG-CD2 3.93Å; Y260-L263 HydrophobicContact CG-CG 4.43Å; Y260-L297 HydrophobicContact CE1-CD1 4.26Å; Y260-L297 HydrophobicContact CE1-CD2 4.47Å; Y260-L298 HydrophobicContact CD2-CD2 4.4Å; Y260-L298 HydrophobicContact CE2-CD2 4.03Å; Y260-A326 HydrophobicContact CE2-CB 4.06Å; Y260-L327 PolarHBondContact N-O 2.8Å; Y260-P328 HydrophobicContact CD2-CB 4.13Å; Y260-I329 VanDerWaalsContact O-CB 3.24Å; Y260-I329 WeakPolarHBondContact O-CB 3.46Å; Y260-I329 PolarHBondContact O-N 3.27Å
261	D	97.9	Very high	97.3	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	84.8	-176.9	-167.7	-4	0	0	0	112.1	T176 Y195 V196 I198 Q200 I329	T176-D261 WeakPolarHBondContact CB-OD2 3.49Å; T176-D261 WeakPolarHBondContact CG2-OD2 3.31Å; T176-D261 PolarHBondContact OG1-OD2 2.83Å; Y195-D261 HydrophobicContact CE2-CB 3.87Å; Y195-D261 PolarHBondContact OH-OD2 2.87Å; V196-D261 PolarHBondContact O-N 3.29Å; I198-D261 PolarHBondContact N-O 2.9Å; Q200-D261 WeakPolarHBondContact CG-O 3.27Å; Q200-D261 PolarHBondContact NE2-O 3.27Å; Q200-D261 VanDerWaalsContact NE2-O 3.17Å; Q200-D261 PolarHBondContact NE2-OD1 2.9Å; D261-I329 HydrophobicContact CB-CD1 3.91Å
262	D	94.1	Very high	97.1	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.011	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	cis	-137.6	158	3.7	61.9	34.4	0	0	0	112.5	I198 S264 K265 Q266 I329	I198-D262 WeakPolarHBondContact CD1-O 3.28Å; D262-S264 PolarHBondContact O-N 2.95Å; D262-K265 VanDerWaalsContact CG-NZ 3.3Å; D262-K265 PolarHBondContact O-N 3.08Å; D262-K265 VanDerWaalsContact OD1-CB 3.24Å; D262-K265 WeakPolarHBondContact OD1-CB 3.48Å; D262-K265 WeakPolarHBondContact OD1-CG 3.44Å; D262-K265 PolarHBondContact OD1-N 2.82Å; D262-K265 IonicContact OD1-NZ 2.94Å; D262-K265 PolarHBondContact OD1-NZ 3.25Å; D262-K265 IonicContact OD2-NZ 2.73Å; D262-K265 PolarHBondContact OD2-NZ 3.22Å; D262-Q266 PolarHBondContact O-N 3.25Å; D262-I329 HydrophobicContact CB-CB 4Å; D262-I329 HydrophobicContact CB-CG2 3.93Å; D262-I329 WeakPolarHBondContact CB-O 3.47Å
263	L	97.7	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-73.8	-18.5	179.9	-64.9	-169.8	0	0	0	112.4	I198 P239 Y260 K265 Q266 A267 H294 L297 L298 P328 I329 I330	I198-L263 HydrophobicContact CD1-CD2 4.1Å; P239-L263 HydrophobicContact CB-CD2 4.27Å; P239-L263 HydrophobicContact CG-CD2 4.11Å; Y260-L263 HydrophobicContact CD1-CD2 4.42Å; Y260-L263 HydrophobicContact CD2-CD2 4.42Å; Y260-L263 HydrophobicContact CG-CD2 3.93Å; Y260-L263 HydrophobicContact CG-CG 4.43Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.25Å; L263-Q266 HydrophobicContact CD2-CB 4.49Å; L263-Q266 WeakPolarHBondContact O-CB 3.11Å; L263-Q266 PolarHBondContact O-N 3.03Å; L263-A267 PolarHBondContact O-N 3.49Å; L263-H294 PolarHBondContact O-NE2 3.33Å; L263-L297 HydrophobicContact CD1-CD2 4.3Å; L263-L297 HydrophobicContact CD2-CD2 3.8Å; L263-L298 HydrophobicContact CD1-CD1 4.35Å; L263-L298 HydrophobicContact CD1-CD2 4.35Å; L263-P328 HydrophobicContact CD1-CB 3.47Å; L263-P328 VanDerWaalsContact CD1-CB 3.47Å; L263-P328 HydrophobicContact CG-CB 4.06Å; L263-I329 PolarHBondContact N-O 2.89Å; L263-I330 HydrophobicContact CB-CD1 3.74Å
264	S	96.2	Very high	96.7	Very high	19 Å²	19	19.3 Å²	19.3	13%	0.133	9%	0.094	C	C	.	.	H	α-helix	trans	-60.3	-44.2	171.7	-64.2	0	0	0	0	110.6	D262 A267 V268 I330 E331	D262-S264 PolarHBondContact O-N 2.95Å; S264-A267 PolarHBondContact O-N 3.48Å; S264-V268 WeakPolarHBondContact O-CG2 3.2Å; S264-V268 PolarHBondContact O-N 2.99Å; S264-V268 VanDerWaalsContact O-N 3.13Å; S264-I330 WeakPolarHBondContact OG-CD1 3.37Å; S264-E331 PolarHBondContact OG-N 2.85Å; S264-E331 PolarHBondContact OG-O 2.79Å
265	K	96.9	Very high	96.5	Very high	54 Å²	54	20.8 Å²	20.8	24%	0.235	10%	0.103	C	C	.	.	H	α-helix	trans	-70.4	-33.7	176.1	-72.2	173.6	-168.8	89.1	0	112.5	I198 G199 Q200 D262 L263 A267 V268 A269	I198-K265 HydrophobicContact CG2-CB 4.28Å; I198-K265 WeakPolarHBondContact O-CD 3.17Å; G199-K265 WeakPolarHBondContact O-CD 3.35Å; Q200-K265 VanDerWaalsContact NE2-NZ 3.2Å; D262-K265 VanDerWaalsContact CG-NZ 3.3Å; D262-K265 PolarHBondContact O-N 3.08Å; D262-K265 VanDerWaalsContact OD1-CB 3.24Å; D262-K265 WeakPolarHBondContact OD1-CB 3.48Å; D262-K265 WeakPolarHBondContact OD1-CG 3.44Å; D262-K265 PolarHBondContact OD1-N 2.82Å; D262-K265 IonicContact OD1-NZ 2.94Å; D262-K265 PolarHBondContact OD1-NZ 3.25Å; D262-K265 IonicContact OD2-NZ 2.73Å; D262-K265 PolarHBondContact OD2-NZ 3.22Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.25Å; K265-A267 VanDerWaalsContact C-N 3.33Å; K265-A267 PolarHBondContact O-N 3.27Å; K265-V268 PolarHBondContact O-N 3.38Å; K265-A269 WeakPolarHBondContact O-CB 3.46Å; K265-A269 PolarHBondContact O-N 3.08Å
266	Q	97.7	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.5	-46.7	170.9	-166.6	-161.3	16	0	0	111	I198 Y236 P239 D262 L263 V268 A269 Y270 H294	I198-Q266 HydrophobicContact CG2-CB 4.26Å; Y236-Q266 PolarHBondContact O-NE2 3.44Å; P239-Q266 HydrophobicContact CG-CB 4.43Å; P239-Q266 HydrophobicContact CG-CG 3.99Å; D262-Q266 PolarHBondContact O-N 3.25Å; L263-Q266 HydrophobicContact CD2-CB 4.49Å; L263-Q266 WeakPolarHBondContact O-CB 3.11Å; L263-Q266 PolarHBondContact O-N 3.03Å; Q266-V268 VanDerWaalsContact C-N 3.32Å; Q266-V268 PolarHBondContact O-N 3.29Å; Q266-A269 PolarHBondContact O-N 2.98Å; Q266-Y270 PolarHBondContact O-N 3.23Å; Q266-H294 PolarHBondContact OE1-CD2 3.37Å
267	A	97.1	Very high	95.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-41.4	177.9	0	0	0	0	0	111.9	L263 S264 K265 Y270 R271 F286 V290 V341	L263-A267 PolarHBondContact O-N 3.49Å; S264-A267 PolarHBondContact O-N 3.48Å; K265-A267 VanDerWaalsContact C-N 3.33Å; K265-A267 PolarHBondContact O-N 3.27Å; A267-Y270 PolarHBondContact O-N 3.25Å; A267-R271 WeakPolarHBondContact O-CB 3.39Å; A267-R271 PolarHBondContact O-N 3.13Å; A267-F286 HydrophobicContact CB-CD1 4.29Å; A267-F286 HydrophobicContact CB-CE1 3.69Å; A267-F286 HydrophobicContact CB-CZ 4.45Å; A267-F286 WeakPolarHBondContact O-CE1 3.14Å; A267-V290 HydrophobicContact CB-CG2 4.24Å; A267-V341 HydrophobicContact CB-CG1 4.21Å; A267-V341 HydrophobicContact CB-CG2 4.14Å
268	V	96.7	Very high	95.1	Very high	65 Å²	65	34.2 Å²	34.2	39%	0.394	16%	0.157	S	C	.	.	H	α-helix	trans	-64	-43.1	176.3	172.4	0	0	0	0	111.4	S264 K265 Q266 R271 Q272	S264-V268 WeakPolarHBondContact O-CG2 3.2Å; S264-V268 PolarHBondContact O-N 2.99Å; S264-V268 VanDerWaalsContact O-N 3.13Å; K265-V268 PolarHBondContact O-N 3.38Å; Q266-V268 VanDerWaalsContact C-N 3.32Å; Q266-V268 PolarHBondContact O-N 3.29Å; V268-R271 WeakPolarHBondContact O-CB 3.44Å; V268-R271 PolarHBondContact O-N 2.83Å; V268-Q272 PolarHBondContact O-N 3.42Å
269	A	95.8	Very high	94.6	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-43.3	175.9	0	0	0	0	0	111.7	A232 Q235 K265 Q266 R271 Q272 I273	A232-A269 HydrophobicContact CB-CB 4.25Å; Q235-A269 HydrophobicContact CB-CB 3.84Å; K265-A269 WeakPolarHBondContact O-CB 3.46Å; K265-A269 PolarHBondContact O-N 3.08Å; Q266-A269 PolarHBondContact O-N 2.98Å; A269-R271 VanDerWaalsContact C-N 3.35Å; A269-R271 PolarHBondContact O-N 2.98Å; A269-Q272 WeakPolarHBondContact O-CB 3.47Å; A269-Q272 PolarHBondContact O-N 2.98Å; A269-I273 WeakPolarHBondContact O-CG1 3.46Å; A269-I273 PolarHBondContact O-N 2.93Å
270	Y	95.5	Very high	94.3	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.035	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-37.7	176.7	-172.2	-123.8	0	0	0	112.6	Y236 Q266 A267 I273 S274 R279 P287 D289 L293	Y236-Y270 AromaticContact CD2-CD2 3.65Å; Y236-Y270 HydrophobicContact CD2-CD2 3.65Å; Y236-Y270 HydrophobicContact CD2-CE2 4.47Å; Y236-Y270 HydrophobicContact CD2-CG 4.16Å; Y236-Y270 AromaticContact CE2-CD2 3.57Å; Y236-Y270 HydrophobicContact CE2-CD2 3.57Å; Y236-Y270 AromaticContact CE2-CE2 3.95Å; Y236-Y270 HydrophobicContact CE2-CE2 3.95Å; Y236-Y270 HydrophobicContact CE2-CG 4.28Å; Y236-Y270 HydrophobicContact CG-CD2 4.28Å; Q266-Y270 PolarHBondContact O-N 3.23Å; A267-Y270 PolarHBondContact O-N 3.25Å; Y270-I273 PolarHBondContact O-N 2.93Å; Y270-S274 WeakPolarHBondContact O-CB 3.35Å; Y270-S274 PolarHBondContact O-N 3.39Å; Y270-S274 PolarHBondContact O-OG 2.88Å; Y270-R279 PolarHBondContact OH-NH1 3.4Å; Y270-P287 HydrophobicContact CD1-CG 3.48Å; Y270-P287 VanDerWaalsContact CD1-CG 3.48Å; Y270-P287 HydrophobicContact CE1-CB 4.29Å; Y270-P287 HydrophobicContact CE1-CG 3.37Å; Y270-D289 WeakPolarHBondContact CE1-OD1 3.43Å; Y270-D289 PolarHBondContact OH-OD1 2.93Å; Y270-D289 PolarHBondContact OH-OD2 3.13Å; Y270-L293 HydrophobicContact CD1-CB 4.47Å; Y270-L293 HydrophobicContact CD1-CD1 4.24Å; Y270-L293 HydrophobicContact CD1-CD2 3.84Å; Y270-L293 HydrophobicContact CD1-CG 4.44Å; Y270-L293 HydrophobicContact CD2-CD1 4.43Å; Y270-L293 HydrophobicContact CG-CD1 4.17Å; Y270-L293 HydrophobicContact CG-CD2 4.03Å
271	R	96	Very high	94.1	Very high	73 Å²	73	46.4 Å²	46.4	28%	0.275	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-47.2	171.7	-179.2	176.8	69.3	179.8	0.6	111.5	A267 V268 A269 S274 L275 E284 A285 F286	A267-R271 WeakPolarHBondContact O-CB 3.39Å; A267-R271 PolarHBondContact O-N 3.13Å; V268-R271 WeakPolarHBondContact O-CB 3.44Å; V268-R271 PolarHBondContact O-N 2.83Å; A269-R271 VanDerWaalsContact C-N 3.35Å; A269-R271 PolarHBondContact O-N 2.98Å; R271-S274 PolarHBondContact O-N 2.63Å; R271-L275 HydrophobicContact CG-CD1 3.97Å; R271-L275 HydrophobicContact CG-CG 4.45Å; R271-L275 WeakPolarHBondContact O-CB 3.42Å; R271-L275 VanDerWaalsContact O-CG 3.31Å; R271-L275 WeakPolarHBondContact O-CG 3.4Å; R271-L275 PolarHBondContact O-N 2.72Å; R271-E284 PolarHBondContact NH1-O 3.35Å; R271-E284 VanDerWaalsContact NH1-O 3.1Å; R271-A285 VanDerWaalsContact CD-O 3.3Å; R271-A285 WeakPolarHBondContact CD-O 3.4Å; R271-A285 WeakPolarHBondContact CG-O 3.5Å; R271-F286 HydrophobicContact CB-CD1 3.82Å; R271-F286 HydrophobicContact CB-CE1 4.1Å; R271-F286 HydrophobicContact CG-CD1 4.29Å
272	Q	94.6	Very high	93.9	Very high	101 Å²	101	48.3 Å²	48.3	47%	0.472	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-50.3	177.5	179.1	179	-13.5	0	0	111.2	A232 V268 A269 S274 L275 L276	A232-Q272 HydrophobicContact CB-CG 4.43Å; V268-Q272 PolarHBondContact O-N 3.42Å; A269-Q272 WeakPolarHBondContact O-CB 3.47Å; A269-Q272 PolarHBondContact O-N 2.98Å; Q272-S274 VanDerWaalsContact C-N 3.32Å; Q272-S274 PolarHBondContact O-N 3.2Å; Q272-L275 PolarHBondContact O-N 2.88Å; Q272-L276 HydrophobicContact CG-CD1 4.01Å; Q272-L276 VanDerWaalsContact O-CG 3.3Å; Q272-L276 WeakPolarHBondContact O-CG 3.49Å; Q272-L276 PolarHBondContact O-N 3.17Å
273	I	92.1	Very high	93.8	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-46.6	178.1	-65.8	166.2	0	0	0	110.9	L64 V74 A232 A233 Y236 A269 Y270 L275 L276 L277	L64-I273 HydrophobicContact CD1-CG2 3.9Å; V74-I273 HydrophobicContact CG2-CG2 3.87Å; A232-I273 HydrophobicContact CB-CD1 4.24Å; A232-I273 HydrophobicContact CB-CG1 3.88Å; A233-I273 HydrophobicContact CB-CD1 4.49Å; Y236-I273 HydrophobicContact CD1-CD1 3.97Å; Y236-I273 HydrophobicContact CG-CD1 4.04Å; A269-I273 WeakPolarHBondContact O-CG1 3.46Å; A269-I273 PolarHBondContact O-N 2.93Å; Y270-I273 PolarHBondContact O-N 2.93Å; I273-L275 PolarHBondContact O-N 3.08Å; I273-L276 PolarHBondContact O-N 2.86Å; I273-L277 HydrophobicContact CG2-CD1 3.78Å; I273-L277 HydrophobicContact CG2-CG 4.41Å; I273-L277 WeakPolarHBondContact O-CB 3.34Å; I273-L277 WeakPolarHBondContact O-CG 2.92Å; I273-L277 PolarHBondContact O-N 3.11Å
274	S	92.4	Very high	93.5	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-41.9	-177.6	-64.1	0	0	0	0	112.5	Y270 R271 Q272 L277 R278 R279	Y270-S274 WeakPolarHBondContact O-CB 3.35Å; Y270-S274 PolarHBondContact O-N 3.39Å; Y270-S274 PolarHBondContact O-OG 2.88Å; R271-S274 PolarHBondContact O-N 2.63Å; Q272-S274 VanDerWaalsContact C-N 3.32Å; Q272-S274 PolarHBondContact O-N 3.2Å; S274-L277 CarbonylContact O-C 3.57Å; S274-L277 PolarHBondContact O-N 3.3Å; S274-R278 PolarHBondContact O-N 2.83Å; S274-R279 WeakPolarHBondContact O-CB 3.29Å; S274-R279 PolarHBondContact O-N 3.2Å
275	L	93	Very high	93.4	Very high	79 Å²	79	61 Å²	61	41%	0.414	31%	0.306	S	S	.	.	H	α-helix	trans	-66.7	-40.4	176.7	-70.8	173.3	0	0	0	111.9	R271 Q272 I273 L277 R278 P281	R271-L275 HydrophobicContact CG-CD1 3.97Å; R271-L275 HydrophobicContact CG-CG 4.45Å; R271-L275 WeakPolarHBondContact O-CB 3.42Å; R271-L275 VanDerWaalsContact O-CG 3.31Å; R271-L275 WeakPolarHBondContact O-CG 3.4Å; R271-L275 PolarHBondContact O-N 2.72Å; Q272-L275 PolarHBondContact O-N 2.88Å; I273-L275 PolarHBondContact O-N 3.08Å; L275-L277 VanDerWaalsContact C-N 3.32Å; L275-L277 PolarHBondContact O-N 3.41Å; L275-R278 WeakPolarHBondContact O-CA 3.42Å; L275-R278 PolarHBondContact O-N 2.95Å; L275-P281 HydrophobicContact CD2-CB 3.96Å; L275-P281 HydrophobicContact CD2-CG 4.12Å
276	L	91.4	Very high	93.4	Very high	59 Å²	59	58.9 Å²	58.9	31%	0.309	30%	0.297	S	S	.	.	H	α-helix	trans	-66.3	-34.4	176.4	-69.1	174.6	0	0	0	112.3	D36 V38 Q272 I273 R278	D36-L276 HydrophobicContact CB-CD1 3.81Å; D36-L276 HydrophobicContact CB-CD2 3.72Å; D36-L276 HydrophobicContact CB-CG 4.41Å; D36-L276 WeakPolarHBondContact O-CD1 3.37Å; V38-L276 HydrophobicContact CG2-CB 3.7Å; V38-L276 HydrophobicContact CG2-CD1 4.36Å; Q272-L276 HydrophobicContact CG-CD1 4.01Å; Q272-L276 VanDerWaalsContact O-CG 3.3Å; Q272-L276 WeakPolarHBondContact O-CG 3.49Å; Q272-L276 PolarHBondContact O-N 3.17Å; I273-L276 PolarHBondContact O-N 2.86Å; L276-R278 PolarHBondContact O-N 2.99Å
277	L	87.7	Confident	93.2	Very high	21 Å²	21	59.1 Å²	59.1	11%	0.11	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	5.3	170	-68.7	172.2	0	0	0	113.6	V38 L64 V74 I273 S274 L275 R279	V38-L277 HydrophobicContact CG1-CD2 3.71Å; V38-L277 HydrophobicContact CG2-CD2 4.42Å; L64-L277 HydrophobicContact CB-CD1 4.14Å; L64-L277 HydrophobicContact CD1-CD1 3.74Å; V74-L277 HydrophobicContact CG2-CD1 4.4Å; I273-L277 HydrophobicContact CG2-CD1 3.78Å; I273-L277 HydrophobicContact CG2-CG 4.41Å; I273-L277 WeakPolarHBondContact O-CB 3.34Å; I273-L277 WeakPolarHBondContact O-CG 2.92Å; I273-L277 PolarHBondContact O-N 3.11Å; S274-L277 CarbonylContact O-C 3.57Å; S274-L277 PolarHBondContact O-N 3.3Å; L275-L277 VanDerWaalsContact C-N 3.32Å; L275-L277 PolarHBondContact O-N 3.41Å; L277-R279 HydrophobicContact CB-CG 4.37Å; L277-R279 PolarHBondContact O-N 2.71Å
278	R	87.7	Confident	92.9	Very high	224 Å²	224	62.7 Å²	62.7	85%	0.845	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	31.1	-179.8	-54.4	-173.3	177.2	-163.1	-0.8	113.7	S274 L275 L276	S274-R278 PolarHBondContact O-N 2.83Å; L275-R278 WeakPolarHBondContact O-CA 3.42Å; L275-R278 PolarHBondContact O-N 2.95Å; L276-R278 PolarHBondContact O-N 2.99Å
279	R	88.5	Confident	92.8	Very high	65 Å²	65	61.9 Å²	61.9	25%	0.245	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-72.5	136.1	170.2	-66.2	-175.6	176.2	-177.6	-0.7	109.2	N65 Y270 S274 L277	N65-R279 PolarHBondContact OD1-NH2 3.45Å; Y270-R279 PolarHBondContact OH-NH1 3.4Å; S274-R279 WeakPolarHBondContact O-CB 3.29Å; S274-R279 PolarHBondContact O-N 3.2Å; L277-R279 HydrophobicContact CB-CG 4.37Å; L277-R279 PolarHBondContact O-N 2.71Å
280	P	92.6	Very high	92.8	Very high	113 Å²	113	61.8 Å²	61.8	73%	0.734	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-57.8	128.7	177.4	-25.5	34.5	0	0	0	112
281	P	94.7	Very high	92.8	Very high	78 Å²	78	65.5 Å²	65.5	51%	0.506	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-80.9	158.2	176.6	31.8	-33.7	0	0	0	112.5	L275 A285	L275-P281 HydrophobicContact CD2-CB 3.96Å; L275-P281 HydrophobicContact CD2-CG 4.12Å; P281-A285 HydrophobicContact CB-CB 4.38Å
282	G	93.2	Very high	92.9	Very high	44 Å²	44	68.7 Å²	68.7	45%	0.454	36%	0.358	S	S	.	.			trans	-113	-141.3	172.3	0	0	0	0	0	112.7	A285 F286	G282-A285 PolarHBondContact O-N 3.34Å; G282-F286 WeakPolarHBondContact CA-O 3.45Å; G282-F286 PolarHBondContact N-O 3.37Å
283	R	91.8	Very high	92.9	Very high	156 Å²	156	63.9 Å²	63.9	59%	0.589	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-60.8	136.1	-178.5	-173.8	173	176.4	178.5	-1.5	111.3	A285 F286 F340	R283-A285 PolarHBondContact O-N 3.2Å; R283-A285 VanDerWaalsContact O-N 3.08Å; R283-F286 PolarHBondContact O-N 3.14Å; R283-F286 VanDerWaalsContact O-N 3.09Å; R283-F340 HydrophobicContact CB-CD1 4.26Å; R283-F340 HydrophobicContact CB-CE1 4.33Å; R283-F340 HydrophobicContact CB-CG 4.37Å; R283-F340 HydrophobicContact CG-CB 4.38Å; R283-F340 HydrophobicContact CG-CG 4.25Å
284	E	91.9	Very high	93.2	Very high	89 Å²	89	63.7 Å²	63.7	42%	0.416	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	53.2	27.6	-176.6	-65.6	169.9	-141.3	0	0	113.7	R271 F286 F340	R271-E284 PolarHBondContact NH1-O 3.35Å; R271-E284 VanDerWaalsContact NH1-O 3.1Å; E284-F286 HydrophobicContact CB-CD2 3.78Å; E284-F286 HydrophobicContact CB-CE2 3.9Å; E284-F286 PolarHBondContact O-N 3.26Å; E284-F340 VanDerWaalsContact OE1-CB 3.26Å; E284-F340 WeakPolarHBondContact OE1-CB 3.16Å; E284-F340 PolarHBondContact OE1-N 3.48Å
285	A	94.9	Very high	93.4	Very high	41 Å²	41	64.5 Å²	64.5	34%	0.339	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	62.7	10.6	-175.9	0	0	0	0	0	116.1	R271 P281 G282 R283	R271-A285 VanDerWaalsContact CD-O 3.3Å; R271-A285 WeakPolarHBondContact CD-O 3.4Å; R271-A285 WeakPolarHBondContact CG-O 3.5Å; P281-A285 HydrophobicContact CB-CB 4.38Å; G282-A285 PolarHBondContact O-N 3.34Å; R283-A285 PolarHBondContact O-N 3.2Å; R283-A285 VanDerWaalsContact O-N 3.08Å
286	F	95.4	Very high	93.5	Very high	10 Å²	10	62.5 Å²	62.5	4%	0.044	33%	0.327	C	S	.	.			trans	-73	150.8	173.3	-70.5	-79.9	0	0	0	111.5	A267 R271 G282 R283 E284 V290 F340 V341	A267-F286 HydrophobicContact CB-CD1 4.29Å; A267-F286 HydrophobicContact CB-CE1 3.69Å; A267-F286 HydrophobicContact CB-CZ 4.45Å; A267-F286 WeakPolarHBondContact O-CE1 3.14Å; R271-F286 HydrophobicContact CB-CD1 3.82Å; R271-F286 HydrophobicContact CB-CE1 4.1Å; R271-F286 HydrophobicContact CG-CD1 4.29Å; G282-F286 WeakPolarHBondContact CA-O 3.45Å; G282-F286 PolarHBondContact N-O 3.37Å; R283-F286 PolarHBondContact O-N 3.14Å; R283-F286 VanDerWaalsContact O-N 3.09Å; E284-F286 HydrophobicContact CB-CD2 3.78Å; E284-F286 HydrophobicContact CB-CE2 3.9Å; E284-F286 PolarHBondContact O-N 3.26Å; F286-V290 HydrophobicContact CB-CB 4.18Å; F286-V290 HydrophobicContact CB-CG1 3.95Å; F286-V290 HydrophobicContact CB-CG2 4.37Å; F286-V290 HydrophobicContact CD1-CG2 4.01Å; F286-V290 HydrophobicContact CG-CG2 4.4Å; F286-F340 HydrophobicContact CB-CD1 4.43Å; F286-F340 HydrophobicContact CB-CE1 4.18Å; F286-F340 HydrophobicContact CD2-CD1 4.04Å; F286-V341 HydrophobicContact CD1-CG2 4.36Å; F286-V341 HydrophobicContact CD2-CG2 4.11Å; F286-V341 HydrophobicContact CE1-CG2 3.95Å; F286-V341 HydrophobicContact CE2-CG2 3.66Å; F286-V341 HydrophobicContact CG-CG2 4.44Å; F286-V341 HydrophobicContact CZ-CG2 3.58Å
287	P	93.6	Very high	93.9	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.032	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-67.2	155.3	175	32.6	-37.9	0	0	0	110.9	Y270 D289 V290	Y270-P287 HydrophobicContact CD1-CG 3.48Å; Y270-P287 VanDerWaalsContact CD1-CG 3.48Å; Y270-P287 HydrophobicContact CE1-CB 4.29Å; Y270-P287 HydrophobicContact CE1-CG 3.37Å; P287-D289 WeakPolarHBondContact CB-OD1 3.26Å; P287-D289 PolarHBondContact O-N 2.83Å; P287-D289 VanDerWaalsContact O-N 3.1Å; P287-V290 HydrophobicContact CG-CB 4.38Å; P287-V290 WeakPolarHBondContact O-CB 3.11Å; P287-V290 WeakPolarHBondContact O-CG1 3.44Å; P287-V290 PolarHBondContact O-N 3.45Å; P287-V290 VanDerWaalsContact O-N 3.12Å
288	G	92.1	Very high	94.4	Very high	75 Å²	75	58.7 Å²	58.7	77%	0.773	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.1	-175.3	0	0	0	0	0	114.7
289	D	94.2	Very high	94.8	Very high	49 Å²	49	50.9 Å²	50.9	26%	0.262	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	13.6	-179.1	66.7	-28.7	0	0	0	113.5	Y270 P287 F291 Y292 L293	Y270-D289 WeakPolarHBondContact CE1-OD1 3.43Å; Y270-D289 PolarHBondContact OH-OD1 2.93Å; Y270-D289 PolarHBondContact OH-OD2 3.13Å; P287-D289 WeakPolarHBondContact CB-OD1 3.26Å; P287-D289 PolarHBondContact O-N 2.83Å; P287-D289 VanDerWaalsContact O-N 3.1Å; D289-F291 PolarHBondContact O-N 3.22Å; D289-Y292 WeakPolarHBondContact O-CA 3.35Å; D289-Y292 WeakPolarHBondContact O-CB 3.39Å; D289-Y292 PolarHBondContact O-N 2.72Å; D289-L293 PolarHBondContact O-N 3.49Å
290	V	95.3	Very high	95.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-26.3	175.4	70.7	0	0	0	0	112.9	A267 F286 P287 L293 F340	A267-V290 HydrophobicContact CB-CG2 4.24Å; F286-V290 HydrophobicContact CB-CB 4.18Å; F286-V290 HydrophobicContact CB-CG1 3.95Å; F286-V290 HydrophobicContact CB-CG2 4.37Å; F286-V290 HydrophobicContact CD1-CG2 4.01Å; F286-V290 HydrophobicContact CG-CG2 4.4Å; P287-V290 HydrophobicContact CG-CB 4.38Å; P287-V290 WeakPolarHBondContact O-CB 3.11Å; P287-V290 WeakPolarHBondContact O-CG1 3.44Å; P287-V290 PolarHBondContact O-N 3.45Å; P287-V290 VanDerWaalsContact O-N 3.12Å; V290-L293 HydrophobicContact CG2-CD2 4.42Å; V290-L293 WeakPolarHBondContact O-CB 3.24Å; V290-F340 HydrophobicContact CG1-CD1 4.39Å; V290-F340 HydrophobicContact CG1-CE1 3.48Å; V290-F340 VanDerWaalsContact CG1-CE1 3.48Å; V290-F340 HydrophobicContact CG1-CZ 3.95Å
291	F	96.7	Very high	95.5	Very high	87 Å²	87	42.5 Å²	42.5	38%	0.382	23%	0.234	S	C	.	.	H	α-helix	trans	-67	-48.1	170.3	178.5	-89.5	0	0	0	110.9	D289 L293 H294 S295 N344 S347 I348	D289-F291 PolarHBondContact O-N 3.22Å; F291-L293 VanDerWaalsContact C-N 3.27Å; F291-L293 PolarHBondContact O-N 3.16Å; F291-H294 PolarHBondContact O-N 2.89Å; F291-S295 WeakPolarHBondContact O-CB 3.36Å; F291-S295 PolarHBondContact O-N 3.35Å; F291-S295 PolarHBondContact O-OG 2.86Å; F291-N344 HydrophobicContact CD2-CB 4.02Å; F291-S347 WeakPolarHBondContact CE2-OG 3.42Å; F291-I348 HydrophobicContact CD2-CD1 4.12Å; F291-I348 HydrophobicContact CD2-CG1 4.46Å; F291-I348 HydrophobicContact CE2-CD1 3.83Å; F291-I348 HydrophobicContact CE2-CG1 3.69Å; F291-I348 HydrophobicContact CZ-CD1 4.2Å; F291-I348 HydrophobicContact CZ-CG1 3.82Å
292	Y	96	Very high	95.7	Very high	139 Å²	139	38.9 Å²	38.9	55%	0.545	21%	0.21	S	C	.	.	H	α-helix	trans	-63	-34.1	-179.3	-178.5	-114.1	0	0	0	112.4	D289 S295 R296	D289-Y292 WeakPolarHBondContact O-CA 3.35Å; D289-Y292 WeakPolarHBondContact O-CB 3.39Å; D289-Y292 PolarHBondContact O-N 2.72Å; Y292-S295 WeakPolarHBondContact CA-OG 3.23Å; Y292-S295 PolarHBondContact O-N 3.09Å; Y292-S295 PolarHBondContact O-OG 2.77Å; Y292-R296 HydrophobicContact CE2-CB 4.2Å; Y292-R296 WeakPolarHBondContact O-CB 3.42Å; Y292-R296 VanDerWaalsContact O-CG 3.27Å; Y292-R296 WeakPolarHBondContact O-CG 3.45Å; Y292-R296 PolarHBondContact O-N 2.93Å
293	L	95.3	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-49.8	-60.3	170	175.2	79.3	0	0	0	111.6	Y236 Y240 Y270 D289 V290 F291 R296 L297	Y236-L293 HydrophobicContact CD2-CD1 3.77Å; Y236-L293 HydrophobicContact CE2-CD1 3.3Å; Y240-L293 HydrophobicContact CE2-CD1 4.09Å; Y240-L293 WeakPolarHBondContact OH-CD1 3Å; Y240-L293 PolarHBondContact OH-O 3.38Å; Y270-L293 HydrophobicContact CD1-CB 4.47Å; Y270-L293 HydrophobicContact CD1-CD1 4.24Å; Y270-L293 HydrophobicContact CD1-CD2 3.84Å; Y270-L293 HydrophobicContact CD1-CG 4.44Å; Y270-L293 HydrophobicContact CD2-CD1 4.43Å; Y270-L293 HydrophobicContact CG-CD1 4.17Å; Y270-L293 HydrophobicContact CG-CD2 4.03Å; D289-L293 PolarHBondContact O-N 3.49Å; V290-L293 HydrophobicContact CG2-CD2 4.42Å; V290-L293 WeakPolarHBondContact O-CB 3.24Å; F291-L293 VanDerWaalsContact C-N 3.27Å; F291-L293 PolarHBondContact O-N 3.16Å; L293-R296 WeakPolarHBondContact O-CG 3.41Å; L293-L297 PolarHBondContact O-N 2.83Å
294	H	97.8	Very high	96.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-73.8	-33.8	-177	-63.6	150.5	0	0	0	112.2	L263 Q266 F291 L297 L298 V345 I348	L263-H294 PolarHBondContact O-NE2 3.33Å; Q266-H294 PolarHBondContact OE1-CD2 3.37Å; F291-H294 PolarHBondContact O-N 2.89Å; H294-L297 PolarHBondContact O-N 2.77Å; H294-L298 VanDerWaalsContact O-CB 3.3Å; H294-L298 WeakPolarHBondContact O-CB 3.28Å; H294-L298 WeakPolarHBondContact O-CG 3.36Å; H294-L298 PolarHBondContact O-N 2.8Å; H294-V345 HydrophobicContact CB-CG2 4.41Å; H294-V345 WeakPolarHBondContact ND1-CG2 3.19Å; H294-I348 HydrophobicContact CB-CD1 3.83Å
295	S	97.2	Very high	96.5	Very high	20 Å²	20	26.8 Å²	26.8	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-65.7	-46.4	-179.9	75.1	0	0	0	0	111.2	F291 Y292 L297 L298 E299	F291-S295 WeakPolarHBondContact O-CB 3.36Å; F291-S295 PolarHBondContact O-N 3.35Å; F291-S295 PolarHBondContact O-OG 2.86Å; Y292-S295 WeakPolarHBondContact CA-OG 3.23Å; Y292-S295 PolarHBondContact O-N 3.09Å; Y292-S295 PolarHBondContact O-OG 2.77Å; S295-L297 VanDerWaalsContact C-N 3.26Å; S295-L297 PolarHBondContact O-N 2.93Å; S295-L298 PolarHBondContact O-N 2.84Å; S295-E299 VanDerWaalsContact O-CB 3.27Å; S295-E299 WeakPolarHBondContact O-CB 3.4Å; S295-E299 VanDerWaalsContact O-CG 3.29Å; S295-E299 WeakPolarHBondContact O-CG 3.24Å; S295-E299 PolarHBondContact O-N 3.32Å
296	R	96.3	Very high	96.6	Very high	38 Å²	38	25.9 Å²	25.9	14%	0.143	14%	0.142	C	C	.	.	H	α-helix	trans	-66.8	-29.1	179.7	81.4	-176.5	-172.1	-114.1	1.2	112.8	E130 Y236 Y240 Y292 L293	E130-R296 IonicContact OE1-CZ 3.93Å; E130-R296 IonicContact OE1-NE 3.76Å; E130-R296 PolarHBondContact OE1-NE 2.92Å; E130-R296 IonicContact OE1-NH2 3.09Å; E130-R296 PolarHBondContact OE1-NH2 3.04Å; E130-R296 IonicContact OE2-NE 3.56Å; E130-R296 PolarHBondContact OE2-NE 3.3Å; Y236-R296 PolarHBondContact OH-NH2 3.48Å; Y240-R296 HydrophobicContact CE1-CG 3.89Å; Y240-R296 PolarHBondContact OH-NE 3.3Å; Y240-R296 VanDerWaalsContact OH-NE 3.14Å; Y240-R296 PolarHBondContact OH-NH2 3.36Å; Y292-R296 HydrophobicContact CE2-CB 4.2Å; Y292-R296 WeakPolarHBondContact O-CB 3.42Å; Y292-R296 VanDerWaalsContact O-CG 3.27Å; Y292-R296 WeakPolarHBondContact O-CG 3.45Å; Y292-R296 PolarHBondContact O-N 2.93Å; L293-R296 WeakPolarHBondContact O-CG 3.41Å
297	L	98	Very high	96.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.4	-55.6	172.4	173.8	66.3	0	0	0	111.1	P239 Y240 C243 Y260 L263 L293 H294 S295 R300	P239-L297 HydrophobicContact CB-CD1 3.87Å; P239-L297 HydrophobicContact CB-CD2 3.49Å; P239-L297 VanDerWaalsContact CB-CD2 3.49Å; P239-L297 HydrophobicContact CB-CG 4.34Å; P239-L297 HydrophobicContact CG-CD2 4.48Å; Y240-L297 HydrophobicContact CD1-CB 4.3Å; Y240-L297 HydrophobicContact CD1-CD1 3.8Å; Y240-L297 HydrophobicContact CE1-CB 3.65Å; Y240-L297 HydrophobicContact CE1-CD1 4.03Å; Y240-L297 HydrophobicContact CE1-CG 4.4Å; Y240-L297 HydrophobicContact CG-CD1 4.36Å; C243-L297 HydrophobicContact CB-CD1 4.02Å; Y260-L297 HydrophobicContact CE1-CD1 4.26Å; Y260-L297 HydrophobicContact CE1-CD2 4.47Å; L263-L297 HydrophobicContact CD1-CD2 4.3Å; L263-L297 HydrophobicContact CD2-CD2 3.8Å; L293-L297 PolarHBondContact O-N 2.83Å; H294-L297 PolarHBondContact O-N 2.77Å; S295-L297 VanDerWaalsContact C-N 3.26Å; S295-L297 PolarHBondContact O-N 2.93Å; L297-R300 WeakPolarHBondContact O-CB 3.41Å; L297-R300 PolarHBondContact O-N 3.12Å
298	L	98.2	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.1	-35	-170.3	-72.6	174.9	0	0	0	111.7	R164 Y260 L263 H294 S295 R300 A301 A326 P328 V345 I348 T349	R164-L298 WeakPolarHBondContact CD-O 3.46Å; Y260-L298 HydrophobicContact CD2-CD2 4.4Å; Y260-L298 HydrophobicContact CE2-CD2 4.03Å; L263-L298 HydrophobicContact CD1-CD1 4.35Å; L263-L298 HydrophobicContact CD1-CD2 4.35Å; H294-L298 VanDerWaalsContact O-CB 3.3Å; H294-L298 WeakPolarHBondContact O-CB 3.28Å; H294-L298 WeakPolarHBondContact O-CG 3.36Å; H294-L298 PolarHBondContact O-N 2.8Å; S295-L298 PolarHBondContact O-N 2.84Å; L298-R300 PolarHBondContact O-N 2.99Å; L298-R300 VanDerWaalsContact O-N 3.07Å; L298-A301 WeakPolarHBondContact O-CB 3.26Å; L298-A301 PolarHBondContact O-N 3.24Å; L298-A326 HydrophobicContact CD2-CB 4.41Å; L298-P328 HydrophobicContact CD1-CG 4.39Å; L298-P328 HydrophobicContact CD2-CB 4.12Å; L298-P328 HydrophobicContact CD2-CG 3.9Å; L298-V345 HydrophobicContact CD1-CG1 4.04Å; L298-I348 HydrophobicContact CB-CG2 3.67Å; L298-I348 HydrophobicContact CD1-CB 4.3Å; L298-I348 HydrophobicContact CD1-CG2 3.67Å; L298-I348 HydrophobicContact CG-CG2 4.31Å; L298-T349 HydrophobicContact CD1-CG2 4.02Å
299	E	97.5	Very high	97.1	Very high	60 Å²	60	29.5 Å²	29.5	28%	0.28	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17	177.5	-76.4	-59.3	143	0	0	114.3	A133 R139 R164 S295 A301	A133-E299 HydrophobicContact CB-CB 4.06Å; A133-E299 VanDerWaalsContact CB-O 3.3Å; A133-E299 WeakPolarHBondContact CB-O 3.42Å; R139-E299 IonicContact CZ-OE2 3.38Å; R139-E299 VanDerWaalsContact CZ-OE2 3.29Å; R139-E299 IonicContact NH1-OE2 3.15Å; R139-E299 PolarHBondContact NH1-OE2 3.27Å; R139-E299 PolarHBondContact NH2-O 3.21Å; R139-E299 IonicContact NH2-OE2 3.98Å; R139-E299 PolarHBondContact NH2-OE2 3.01Å; R164-E299 IonicContact NE-OE1 2.62Å; R164-E299 IonicContact NH2-OE1 2.85Å; S295-E299 VanDerWaalsContact O-CB 3.27Å; S295-E299 WeakPolarHBondContact O-CB 3.4Å; S295-E299 VanDerWaalsContact O-CG 3.29Å; S295-E299 WeakPolarHBondContact O-CG 3.24Å; S295-E299 PolarHBondContact O-N 3.32Å; E299-A301 VanDerWaalsContact C-N 3.28Å
300	R	98.1	Very high	97.2	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.1	172.2	-69.9	172.2	71.4	178.4	1.8	112.8	V129 A133 C243 E247 R250 L297 L298 A302	V129-R300 PolarHBondContact O-NH1 3.31Å; A133-R300 HydrophobicContact CB-CG 3.95Å; C243-R300 WeakPolarHBondContact SG-CB 3.45Å; C243-R300 PolarHBondContact SG-NE 3.41Å; C243-R300 VanDerWaalsContact SG-NE 3.44Å; E247-R300 VanDerWaalsContact CD-NH2 3.32Å; E247-R300 WeakPolarHBondContact OE1-CB 3.38Å; E247-R300 IonicContact OE1-CZ 3.63Å; E247-R300 IonicContact OE1-NE 3.61Å; E247-R300 PolarHBondContact OE1-NE 3.01Å; E247-R300 IonicContact OE1-NH2 2.81Å; E247-R300 IonicContact OE2-CZ 2.83Å; E247-R300 IonicContact OE2-NE 3.54Å; E247-R300 PolarHBondContact OE2-NE 2.58Å; E247-R300 IonicContact OE2-NH2 3.66Å; E247-R300 PolarHBondContact OE2-NH2 2.85Å; R250-R300 PolarHBondContact NH1-O 3.43Å; L297-R300 WeakPolarHBondContact O-CB 3.41Å; L297-R300 PolarHBondContact O-N 3.12Å; L298-R300 PolarHBondContact O-N 2.99Å; L298-R300 VanDerWaalsContact O-N 3.07Å; R300-A302 PolarHBondContact O-N 3.43Å; R300-A302 VanDerWaalsContact O-N 3.14Å
301	A	97.8	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.			trans	-79.1	95.1	172.3	0	0	0	0	0	109.9	R164 L298 E299 L324 A326	R164-A301 HydrophobicContact CG-CB 3.9Å; L298-A301 WeakPolarHBondContact O-CB 3.26Å; L298-A301 PolarHBondContact O-N 3.24Å; E299-A301 VanDerWaalsContact C-N 3.28Å; A301-L324 CarbonylContact C-O 3.58Å; A301-L324 VanDerWaalsContact C-O 3.25Å; A301-L324 VanDerWaalsContact CA-O 3.26Å; A301-L324 WeakPolarHBondContact CA-O 3.36Å; A301-L324 HydrophobicContact CB-CD2 4.38Å; A301-L324 HydrophobicContact CB-CG 4.17Å; A301-L324 WeakPolarHBondContact CB-O 3.44Å; A301-A326 HydrophobicContact CB-CB 3.46Å; A301-A326 VanDerWaalsContact CB-CB 3.46Å
302	A	97.6	Very high	97.2	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	17%	0.171	C	C	.	.			trans	-144.6	165.5	-176.7	0	0	0	0	0	111	R139 R300 S323 L324	R139-A302 HydrophobicContact CG-CB 4.34Å; R300-A302 PolarHBondContact O-N 3.43Å; R300-A302 VanDerWaalsContact O-N 3.14Å; A302-S323 WeakPolarHBondContact O-CA 3.5Å; A302-L324 PolarHBondContact N-O 3.07Å; A302-L324 PolarHBondContact O-N 3.37Å
303	R	98.2	Very high	97.2	Very high	10 Å²	10	28.3 Å²	28.3	4%	0.038	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-99.3	129.2	164.6	179.3	179.6	176.5	161.3	-19	109.7	R139 Q140 D143 G322	R139-R303 VanDerWaalsContact CA-O 3.29Å; R139-R303 WeakPolarHBondContact CA-O 3.44Å; Q140-R303 HydrophobicContact CB-CG 4.23Å; Q140-R303 PolarHBondContact N-O 3.22Å; D143-R303 IonicContact OD1-CZ 3.24Å; D143-R303 IonicContact OD1-NH1 3.11Å; D143-R303 PolarHBondContact OD1-NH1 3.37Å; D143-R303 IonicContact OD1-NH2 2.66Å; D143-R303 PolarHBondContact OD1-NH2 2.85Å; D143-R303 IonicContact OD2-NH2 3.42Å; D143-R303 PolarHBondContact OD2-NH2 2.85Å; R303-G322 WeakPolarHBondContact CA-O 3.48Å
304	V	98	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-101.8	147.6	179.3	-65.4	0	0	0	0	111.1	P134 E138 R250 Y308 V309 T321 G322	P134-V304 HydrophobicContact CB-CG1 3.91Å; P134-V304 HydrophobicContact CG-CG1 3.76Å; E138-V304 CarbonylContact O-C 3.59Å; E138-V304 VanDerWaalsContact O-CA 3.29Å; E138-V304 WeakPolarHBondContact O-CA 3.34Å; R250-V304 HydrophobicContact CG-CG2 4.18Å; V304-Y308 HydrophobicContact CB-CD1 3.57Å; V304-Y308 HydrophobicContact CB-CE1 4.13Å; V304-Y308 HydrophobicContact CB-CG 4.06Å; V304-Y308 HydrophobicContact CG1-CD1 3.79Å; V304-Y308 HydrophobicContact CG1-CE1 3.89Å; V304-Y308 HydrophobicContact CG1-CG 4.26Å; V304-Y308 HydrophobicContact CG2-CD1 3.65Å; V304-Y308 HydrophobicContact CG2-CE1 4.06Å; V304-V309 HydrophobicContact CG2-CG2 3.69Å; V304-T321 VanDerWaalsContact O-CB 3.26Å; V304-T321 WeakPolarHBondContact O-CB 3.42Å; V304-G322 WeakPolarHBondContact CG2-O 3.4Å; V304-G322 PolarHBondContact N-O 3.21Å
305	N	97.4	Very high	96.9	Very high	26 Å²	26	38.8 Å²	38.8	14%	0.139	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-72.9	169.8	176.6	65.9	29.3	0	0	0	112	I137 E138 Q140 E307 Y308 V309	I137-N305 PolarHBondContact O-ND2 3.39Å; E138-N305 PolarHBondContact O-N 3.34Å; E138-N305 PolarHBondContact O-ND2 2.94Å; Q140-N305 HydrophobicContact CB-CB 4.3Å; N305-E307 VanDerWaalsContact C-N 3.31Å; N305-E307 WeakPolarHBondContact CB-OE2 3.38Å; N305-E307 VanDerWaalsContact CG-OE2 3.31Å; N305-E307 PolarHBondContact O-N 3.47Å; N305-E307 PolarHBondContact OD1-N 2.95Å; N305-E307 PolarHBondContact OD1-OE2 2.83Å; N305-Y308 VanDerWaalsContact OD1-CB 3.3Å; N305-Y308 WeakPolarHBondContact OD1-CB 3.17Å; N305-Y308 PolarHBondContact OD1-N 3.43Å; N305-V309 PolarHBondContact O-N 3.38Å
306	A	97.5	Very high	96.8	Very high	21 Å²	21	46 Å²	46	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-69.7	-31.2	-176.5	0	0	0	0	0	112.2	V309 E310 K320 T321	A306-V309 PolarHBondContact O-N 3.5Å; A306-E310 WeakPolarHBondContact O-CB 3.21Å; A306-E310 PolarHBondContact O-N 3.12Å; A306-K320 WeakPolarHBondContact CA-O 3.38Å; A306-T321 HydrophobicContact CB-CG2 4.29Å
307	E	96.9	Very high	96.8	Very high	130 Å²	130	45.7 Å²	45.7	61%	0.607	24%	0.235	S	C	*	.	H	α-helix	trans	-64.1	-42.4	178.7	-64.2	76.7	-169.9	0	0	111.7	N305 E310 A311	N305-E307 VanDerWaalsContact C-N 3.31Å; N305-E307 WeakPolarHBondContact CB-OE2 3.38Å; N305-E307 VanDerWaalsContact CG-OE2 3.31Å; N305-E307 PolarHBondContact O-N 3.47Å; N305-E307 PolarHBondContact OD1-N 2.95Å; N305-E307 PolarHBondContact OD1-OE2 2.83Å; E307-E310 PolarHBondContact O-N 2.8Å; E307-A311 WeakPolarHBondContact O-CB 3.29Å; E307-A311 PolarHBondContact O-N 3.32Å
308	Y	97.4	Very high	96.6	Very high	37 Å²	37	52 Å²	52	15%	0.145	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-47.5	173.9	171.7	-86.2	0	0	0	111	E138 D251 V304 N305 E310 A311 F312	E138-Y308 HydrophobicContact CB-CD2 3.9Å; E138-Y308 HydrophobicContact CB-CG 4.37Å; E138-Y308 HydrophobicContact CG-CD2 3.86Å; D251-Y308 HydrophobicContact CB-CE1 4.37Å; D251-Y308 WeakPolarHBondContact OD1-CE1 3.45Å; D251-Y308 PolarHBondContact OD1-OH 3.28Å; V304-Y308 HydrophobicContact CB-CD1 3.57Å; V304-Y308 HydrophobicContact CB-CE1 4.13Å; V304-Y308 HydrophobicContact CB-CG 4.06Å; V304-Y308 HydrophobicContact CG1-CD1 3.79Å; V304-Y308 HydrophobicContact CG1-CE1 3.89Å; V304-Y308 HydrophobicContact CG1-CG 4.26Å; V304-Y308 HydrophobicContact CG2-CD1 3.65Å; V304-Y308 HydrophobicContact CG2-CE1 4.06Å; N305-Y308 VanDerWaalsContact OD1-CB 3.3Å; N305-Y308 WeakPolarHBondContact OD1-CB 3.17Å; N305-Y308 PolarHBondContact OD1-N 3.43Å; Y308-E310 PolarHBondContact O-N 2.8Å; Y308-A311 PolarHBondContact O-N 2.98Å; Y308-F312 HydrophobicContact CE1-CB 4.39Å; Y308-F312 VanDerWaalsContact O-CB 3.28Å; Y308-F312 WeakPolarHBondContact O-CB 3.42Å; Y308-F312 PolarHBondContact O-N 3.06Å
309	V	97.4	Very high	96.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-43.3	-179.9	175.1	0	0	0	0	110.7	V304 N305 A306 A311 F312 T313 V317	V304-V309 HydrophobicContact CG2-CG2 3.69Å; N305-V309 PolarHBondContact O-N 3.38Å; A306-V309 PolarHBondContact O-N 3.5Å; V309-A311 PolarHBondContact O-N 3.22Å; V309-F312 PolarHBondContact O-N 2.76Å; V309-T313 HydrophobicContact CG1-CG2 4.2Å; V309-T313 WeakPolarHBondContact O-CB 3.42Å; V309-T313 VanDerWaalsContact O-CG2 3.3Å; V309-T313 WeakPolarHBondContact O-CG2 3.33Å; V309-T313 PolarHBondContact O-N 2.82Å; V309-T313 PolarHBondContact O-OG1 3.25Å; V309-V317 HydrophobicContact CG1-CB 3.88Å; V309-V317 HydrophobicContact CG1-CG1 3.66Å
310	E	96.8	Very high	96.3	Very high	70 Å²	70	58.5 Å²	58.5	33%	0.327	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-43.4	177.1	-171.7	170.4	174.9	0	0	111.4	A306 E307 Y308 K314 G315 V317 K318	A306-E310 WeakPolarHBondContact O-CB 3.21Å; A306-E310 PolarHBondContact O-N 3.12Å; E307-E310 PolarHBondContact O-N 2.8Å; Y308-E310 PolarHBondContact O-N 2.8Å; E310-K314 PolarHBondContact O-N 3.45Å; E310-G315 PolarHBondContact O-N 3.11Å; E310-V317 WeakPolarHBondContact CA-O 2.83Å; E310-K318 HydrophobicContact CG-CG 4.29Å; E310-K318 WeakPolarHBondContact OE1-CE 2.96Å; E310-K318 IonicContact OE1-NZ 2.72Å; E310-K318 PolarHBondContact OE1-NZ 2.97Å
311	A	96.5	Very high	96.3	Very high	78 Å²	78	59.7 Å²	59.7	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-64.6	-46.7	177	0	0	0	0	0	112.2	E307 Y308 V309 K314	E307-A311 WeakPolarHBondContact O-CB 3.29Å; E307-A311 PolarHBondContact O-N 3.32Å; Y308-A311 PolarHBondContact O-N 2.98Å; V309-A311 PolarHBondContact O-N 3.22Å; A311-K314 PolarHBondContact O-N 3.12Å
312	F	95.4	Very high	96.2	Very high	88 Å²	88	59.7 Å²	59.7	39%	0.386	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-43	-179.1	-173.8	-82.6	0	0	0	111.9	D251 Y308 V309 K314	D251-F312 HydrophobicContact CB-CD1 3.65Å; D251-F312 HydrophobicContact CB-CD2 4.27Å; D251-F312 HydrophobicContact CB-CE1 3.56Å; D251-F312 HydrophobicContact CB-CE2 4.17Å; D251-F312 HydrophobicContact CB-CG 4.02Å; D251-F312 HydrophobicContact CB-CZ 3.83Å; D251-F312 WeakPolarHBondContact O-CD1 3.22Å; Y308-F312 HydrophobicContact CE1-CB 4.39Å; Y308-F312 VanDerWaalsContact O-CB 3.28Å; Y308-F312 WeakPolarHBondContact O-CB 3.42Å; Y308-F312 PolarHBondContact O-N 3.06Å; V309-F312 PolarHBondContact O-N 2.76Å; F312-K314 PolarHBondContact O-N 3.18Å
313	T	94.9	Very high	96.3	Very high	13 Å²	13	59.6 Å²	59.6	8%	0.08	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	8.8	-179.8	63.8	0	0	0	0	113.6	D251 R252 V309 G315 E316 V317	D251-T313 WeakPolarHBondContact O-CG2 3.44Å; R252-T313 HydrophobicContact CB-CG2 4.45Å; R252-T313 HydrophobicContact CG-CG2 4.12Å; V309-T313 HydrophobicContact CG1-CG2 4.2Å; V309-T313 WeakPolarHBondContact O-CB 3.42Å; V309-T313 VanDerWaalsContact O-CG2 3.3Å; V309-T313 WeakPolarHBondContact O-CG2 3.33Å; V309-T313 PolarHBondContact O-N 2.82Å; V309-T313 PolarHBondContact O-OG1 3.25Å; T313-G315 PolarHBondContact O-N 2.83Å; T313-G315 VanDerWaalsContact O-N 3.15Å; T313-E316 WeakPolarHBondContact O-CB 3.37Å; T313-E316 WeakPolarHBondContact O-CG 3.37Å; T313-E316 PolarHBondContact O-N 2.87Å; T313-E316 VanDerWaalsContact O-N 3.12Å; T313-V317 HydrophobicContact CG2-CB 4.14Å; T313-V317 HydrophobicContact CG2-CG2 4.01Å; T313-V317 PolarHBondContact OG1-N 2.79Å
314	K	95.9	Very high	96.3	Very high	194 Å²	194	59.1 Å²	59.1	84%	0.843	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.4	-179.2	-54.9	177.9	-177.3	174.8	0	113	E310 A311 F312	E310-K314 PolarHBondContact O-N 3.45Å; A311-K314 PolarHBondContact O-N 3.12Å; F312-K314 PolarHBondContact O-N 3.18Å
315	G	92.7	Very high	96.3	Very high	26 Å²	26	59.1 Å²	59.1	27%	0.268	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-0.2	177.8	0	0	0	0	0	116.1	E310 T313 V317 K318	E310-G315 PolarHBondContact O-N 3.11Å; T313-G315 PolarHBondContact O-N 2.83Å; T313-G315 VanDerWaalsContact O-N 3.15Å; G315-V317 VanDerWaalsContact C-N 3.33Å; G315-K318 VanDerWaalsContact O-CE 3.31Å; G315-K318 WeakPolarHBondContact O-CE 2.87Å
316	E	95.3	Very high	96.4	Very high	172 Å²	172	57.9 Å²	57.9	80%	0.804	31%	0.308	S	S	*	.	S	Bend	trans	-67	-34.4	178.8	-68	179.5	-178.7	0	0	112.4	T313	T313-E316 WeakPolarHBondContact O-CB 3.37Å; T313-E316 WeakPolarHBondContact O-CG 3.37Å; T313-E316 PolarHBondContact O-N 2.87Å; T313-E316 VanDerWaalsContact O-N 3.12Å
317	V	94.8	Very high	96.4	Very high	31 Å²	31	57 Å²	57	19%	0.188	30%	0.301	C	S	.	.	S	Bend	trans	-114	123.6	178.1	-178.3	0	0	0	0	109.4	V309 E310 T313 G315 K320	V309-V317 HydrophobicContact CG1-CB 3.88Å; V309-V317 HydrophobicContact CG1-CG1 3.66Å; E310-V317 WeakPolarHBondContact CA-O 2.83Å; T313-V317 HydrophobicContact CG2-CB 4.14Å; T313-V317 HydrophobicContact CG2-CG2 4.01Å; T313-V317 PolarHBondContact OG1-N 2.79Å; G315-V317 VanDerWaalsContact C-N 3.33Å; V317-K320 HydrophobicContact CG1-CB 3.84Å; V317-K320 HydrophobicContact CG1-CD 4.04Å; V317-K320 HydrophobicContact CG1-CG 4.21Å
318	K	94.4	Very high	96.5	Very high	133 Å²	133	50.9 Å²	50.9	58%	0.578	27%	0.272	S	S	*	.			trans	-125.9	142.9	-179.6	-58.3	-164.1	179.1	-131.8	0	111.8	E310 G315 K320	E310-K318 HydrophobicContact CG-CG 4.29Å; E310-K318 WeakPolarHBondContact OE1-CE 2.96Å; E310-K318 IonicContact OE1-NZ 2.72Å; E310-K318 PolarHBondContact OE1-NZ 2.97Å; G315-K318 VanDerWaalsContact O-CE 3.31Å; G315-K318 WeakPolarHBondContact O-CE 2.87Å; K318-K320 PolarHBondContact O-N 2.92Å; K318-K320 VanDerWaalsContact O-N 3.15Å
319	G	94.3	Very high	96.6	Very high	69 Å²	69	49.1 Å²	49.1	71%	0.711	27%	0.265	S	S	*	.	S	Bend	trans	66.5	11	174.9	0	0	0	0	0	115.3
320	K	95.6	Very high	96.6	Very high	127 Å²	127	49.1 Å²	49.1	55%	0.552	27%	0.265	S	S	*	.			trans	-110.2	144.1	175.5	-65.2	-171	179.5	-179.5	0	110.4	A306 V317 K318	A306-K320 WeakPolarHBondContact CA-O 3.38Å; V317-K320 HydrophobicContact CG1-CB 3.84Å; V317-K320 HydrophobicContact CG1-CD 4.04Å; V317-K320 HydrophobicContact CG1-CG 4.21Å; K318-K320 PolarHBondContact O-N 2.92Å; K318-K320 VanDerWaalsContact O-N 3.15Å
321	T	96.8	Very high	96.6	Very high	26 Å²	26	48 Å²	48	16%	0.16	26%	0.26	C	S	.	.			trans	-110.5	139.8	175.2	57	0	0	0	0	107.4	V304 A306	V304-T321 VanDerWaalsContact O-CB 3.26Å; V304-T321 WeakPolarHBondContact O-CB 3.42Å; A306-T321 HydrophobicContact CB-CG2 4.29Å
322	G	97.3	Very high	96.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.			trans	-107.1	157.6	174.4	0	0	0	0	0	111.7	R250 E254 R303 V304	R250-G322 WeakPolarHBondContact O-CA 3.47Å; E254-G322 VanDerWaalsContact O-CA 3.25Å; E254-G322 WeakPolarHBondContact O-CA 3.36Å; R303-G322 WeakPolarHBondContact CA-O 3.48Å; V304-G322 WeakPolarHBondContact CG2-O 3.4Å; V304-G322 PolarHBondContact N-O 3.21Å
323	S	98.3	Very high	96.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145.6	178.1	75.8	0	0	0	0	112.7	R161 E254 D255 A256 A302	R161-S323 WeakPolarHBondContact CB-OG 3.46Å; E254-S323 PolarHBondContact O-N 2.74Å; D255-S323 CarbonylContact C-O 3.57Å; D255-S323 WeakPolarHBondContact CA-O 3.46Å; D255-S323 WeakPolarHBondContact OD1-CB 3.22Å; D255-S323 PolarHBondContact OD1-N 3Å; D255-S323 PolarHBondContact OD1-OG 3.02Å; A256-S323 PolarHBondContact N-O 2.79Å; A302-S323 WeakPolarHBondContact O-CA 3.5Å
324	L	98.6	Very high	95.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	107.7	166.9	178.6	63.1	0	0	0	108.2	E247 R250 A256 I258 A301 A302	E247-L324 HydrophobicContact CG-CD2 4.25Å; R250-L324 HydrophobicContact CB-CB 4.3Å; R250-L324 HydrophobicContact CG-CB 4.4Å; A256-L324 HydrophobicContact CB-CD1 3.73Å; A256-L324 WeakPolarHBondContact O-CA 3.42Å; I258-L324 HydrophobicContact CB-CD1 4.08Å; I258-L324 HydrophobicContact CG2-CD1 3.76Å; I258-L324 HydrophobicContact CG2-CD2 4.49Å; I258-L324 HydrophobicContact CG2-CG 4.12Å; A301-L324 CarbonylContact C-O 3.58Å; A301-L324 VanDerWaalsContact C-O 3.25Å; A301-L324 VanDerWaalsContact CA-O 3.26Å; A301-L324 WeakPolarHBondContact CA-O 3.36Å; A301-L324 HydrophobicContact CB-CD2 4.38Å; A301-L324 HydrophobicContact CB-CG 4.17Å; A301-L324 WeakPolarHBondContact CB-O 3.44Å; A302-L324 PolarHBondContact N-O 3.07Å; A302-L324 PolarHBondContact O-N 3.37Å
325	T	98.7	Very high	95.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133	176.3	-49.4	0	0	0	0	109	V146 I159 G160 R161 G162 Q163 A256 L257 I258	V146-T325 HydrophobicContact CG2-CG2 4.18Å; I159-T325 HydrophobicContact CG2-CG2 3.89Å; G160-T325 WeakPolarHBondContact O-CG2 3.06Å; R161-T325 WeakPolarHBondContact CA-OG1 3.44Å; G162-T325 PolarHBondContact N-OG1 2.83Å; Q163-T325 WeakPolarHBondContact O-CA 3.24Å; Q163-T325 WeakPolarHBondContact O-CG2 3.26Å; A256-T325 PolarHBondContact O-N 2.98Å; L257-T325 CarbonylContact C-O 3.59Å; L257-T325 WeakPolarHBondContact CA-O 3.36Å; L257-T325 HydrophobicContact CD1-CG2 3.96Å; I258-T325 WeakPolarHBondContact CG2-O 3.41Å; I258-T325 PolarHBondContact N-O 2.88Å
326	A	98.7	Very high	95.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.5	-178	0	0	0	0	0	112.6	Q163 R164 E165 I258 Y260 L298 A301 P328	Q163-A326 PolarHBondContact O-N 2.84Å; R164-A326 CarbonylContact C-O 3.38Å; R164-A326 WeakPolarHBondContact CA-O 3.4Å; R164-A326 HydrophobicContact CG-CB 4.44Å; E165-A326 PolarHBondContact N-O 2.83Å; I258-A326 HydrophobicContact CG2-CB 3.78Å; I258-A326 CarbonylContact O-C 3.6Å; I258-A326 WeakPolarHBondContact O-CA 3.46Å; Y260-A326 HydrophobicContact CE2-CB 4.06Å; L298-A326 HydrophobicContact CD2-CB 4.41Å; A301-A326 HydrophobicContact CB-CB 3.46Å; A301-A326 VanDerWaalsContact CB-CB 3.46Å; A326-P328 VanDerWaalsContact C-CD 3.49Å; A326-P328 VanDerWaalsContact O-CD 3.29Å; A326-P328 WeakPolarHBondContact O-CD 3.48Å
327	L	98.6	Very high	94.6	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	83.6	169.1	-49.2	-177.2	0	0	0	109.6	I159 E165 I167 A182 L257 I258 I259 Y260	I159-L327 HydrophobicContact CD1-CD1 4.44Å; I159-L327 HydrophobicContact CD1-CD2 3.75Å; I159-L327 HydrophobicContact CG2-CD2 4.16Å; E165-L327 HydrophobicContact CB-CD2 3.73Å; E165-L327 WeakPolarHBondContact O-CA 3.44Å; I167-L327 HydrophobicContact CD1-CB 4.16Å; I167-L327 HydrophobicContact CD1-CD1 4.41Å; A182-L327 HydrophobicContact CB-CD1 4.3Å; L257-L327 HydrophobicContact CD1-CD1 4.1Å; L257-L327 HydrophobicContact CD1-CG 3.93Å; I258-L327 PolarHBondContact O-N 2.84Å; I259-L327 HydrophobicContact CD1-CB 3.57Å; I259-L327 HydrophobicContact CD1-CD1 3.56Å; I259-L327 HydrophobicContact CD1-CG 3.76Å; Y260-L327 PolarHBondContact N-O 2.8Å
328	P	98.5	Very high	94.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.9	172.1	26.9	-31.7	0	0	0	110.7	E165 L166 I167 Y260 L263 L298 A326 T349	E165-P328 WeakPolarHBondContact O-CD 3.41Å; L166-P328 HydrophobicContact CD1-CB 4.39Å; L166-P328 HydrophobicContact CD1-CG 4.14Å; L166-P328 WeakPolarHBondContact CD1-O 3.48Å; I167-P328 PolarHBondContact N-O 3.49Å; Y260-P328 HydrophobicContact CD2-CB 4.13Å; L263-P328 HydrophobicContact CD1-CB 3.47Å; L263-P328 VanDerWaalsContact CD1-CB 3.47Å; L263-P328 HydrophobicContact CG-CB 4.06Å; L298-P328 HydrophobicContact CD1-CG 4.39Å; L298-P328 HydrophobicContact CD2-CB 4.12Å; L298-P328 HydrophobicContact CD2-CG 3.9Å; A326-P328 VanDerWaalsContact C-CD 3.49Å; A326-P328 VanDerWaalsContact O-CD 3.29Å; A326-P328 WeakPolarHBondContact O-CD 3.48Å; P328-T349 HydrophobicContact CG-CG2 3.83Å
329	I	98.6	Very high	94	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.4	170.7	-59.8	180	0	0	0	109	I167 K175 A179 I259 Y260 D261 D262 L263	I167-I329 HydrophobicContact CB-CG1 4.25Å; I167-I329 CarbonylContact O-C 3.01Å; I167-I329 VanDerWaalsContact O-CA 3.31Å; I167-I329 WeakPolarHBondContact O-CA 3.5Å; K175-I329 HydrophobicContact CB-CD1 4.42Å; K175-I329 HydrophobicContact CB-CG2 3.88Å; K175-I329 HydrophobicContact CD-CG2 3.69Å; K175-I329 HydrophobicContact CG-CG2 4.37Å; A179-I329 HydrophobicContact CB-CD1 4.06Å; I259-I329 HydrophobicContact CG2-CD1 4.19Å; Y260-I329 VanDerWaalsContact O-CB 3.24Å; Y260-I329 WeakPolarHBondContact O-CB 3.46Å; Y260-I329 PolarHBondContact O-N 3.27Å; D261-I329 HydrophobicContact CB-CD1 3.91Å; D262-I329 HydrophobicContact CB-CB 4Å; D262-I329 HydrophobicContact CB-CG2 3.93Å; D262-I329 WeakPolarHBondContact CB-O 3.47Å; L263-I329 PolarHBondContact N-O 2.89Å
330	I	97.8	Very high	93.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.5	169.2	-72.6	-66.2	0	0	0	109.5	L166 I167 I168 G169 L263 S264 V341 P342 V345	L166-I330 HydrophobicContact CD1-CB 3.89Å; L166-I330 HydrophobicContact CD1-CG1 3.58Å; I167-I330 PolarHBondContact O-N 3.16Å; I168-I330 WeakPolarHBondContact CA-O 3.48Å; I168-I330 HydrophobicContact CD1-CG2 4.22Å; I168-I330 HydrophobicContact CG1-CB 4.46Å; I168-I330 HydrophobicContact CG1-CG2 4.2Å; G169-I330 PolarHBondContact N-O 2.86Å; L263-I330 HydrophobicContact CB-CD1 3.74Å; S264-I330 WeakPolarHBondContact OG-CD1 3.37Å; I330-V341 HydrophobicContact CD1-CG1 4.14Å; I330-P342 HydrophobicContact CG2-CB 4.18Å; I330-P342 HydrophobicContact CG2-CG 3.88Å; I330-V345 HydrophobicContact CD1-CG2 4Å; I330-V345 HydrophobicContact CG1-CB 4.17Å; I330-V345 HydrophobicContact CG1-CG1 4.16Å; I330-V345 HydrophobicContact CG1-CG2 4.16Å
331	E	96.4	Very high	93.8	Very high	48 Å²	48	29.2 Å²	29.2	22%	0.224	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124.3	168.7	-176.6	170.1	119.5	0	0	110.3	G169 K175 S264 Q333	G169-E331 WeakPolarHBondContact O-CA 3.38Å; K175-E331 IonicContact NZ-OE2 2.6Å; S264-E331 PolarHBondContact OG-N 2.85Å; S264-E331 PolarHBondContact OG-O 2.79Å; E331-Q333 PolarHBondContact OE1-NE2 3.27Å
332	T	93.9	Very high	93.7	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	18%	0.176	C	C	.	.			trans	-90.4	161.7	168.7	51.8	0	0	0	0	110.9	I168 G169 D170 P342	I168-T332 HydrophobicContact CD1-CG2 3.67Å; I168-T332 HydrophobicContact CG1-CG2 3.58Å; G169-T332 PolarHBondContact O-N 3.48Å; G169-T332 VanDerWaalsContact O-N 3.13Å; G169-T332 PolarHBondContact O-OG1 3.09Å; D170-T332 PolarHBondContact N-OG1 3.04Å; D170-T332 VanDerWaalsContact N-OG1 3.15Å; D170-T332 WeakPolarHBondContact OD1-CB 3.49Å; D170-T332 PolarHBondContact OD1-OG1 2.84Å; T332-P342 HydrophobicContact CG2-CB 4.48Å; T332-P342 HydrophobicContact CG2-CG 4.16Å
333	Q	89.9	Confident	93.6	Very high	137 Å²	137	31.4 Å²	31.4	64%	0.64	20%	0.195	S	C	*	.	S	Bend	trans	-108.7	121.9	171	-59.4	-59.1	-47	0	0	108.3	E331 G335 D336	E331-Q333 PolarHBondContact OE1-NE2 3.27Å; Q333-G335 PolarHBondContact O-N 2.84Å; Q333-D336 WeakPolarHBondContact O-CB 2.99Å; Q333-D336 PolarHBondContact O-N 3.08Å; Q333-D336 VanDerWaalsContact O-N 3.08Å
334	A	88.5	Confident	93.5	Very high	102 Å²	102	32.4 Å²	32.4	84%	0.843	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	35	179.3	0	0	0	0	0	114.8	D170 D336	D170-A334 PolarHBondContact OD1-N 3.28Å; A334-D336 PolarHBondContact O-N 3.2Å
335	G	83.9	Confident	93.4	Very high	28 Å²	28	32.4 Å²	32.4	29%	0.289	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	7.2	178.2	0	0	0	0	0	114.3	D170 Q333 V337	D170-G335 WeakPolarHBondContact OD1-CA 3.09Å; D170-G335 PolarHBondContact OD1-N 3.4Å; D170-G335 PolarHBondContact OD2-N 2.87Å; Q333-G335 PolarHBondContact O-N 2.84Å; G335-V337 PolarHBondContact O-N 2.89Å
336	D	87.6	Confident	93.3	Very high	69 Å²	69	34.2 Å²	34.2	37%	0.369	21%	0.209	S	C	.	.			trans	-73.9	95.8	-177.4	-173.8	11.1	0	0	0	111.7	Q333 A334 S338 A339	Q333-D336 WeakPolarHBondContact O-CB 2.99Å; Q333-D336 PolarHBondContact O-N 3.08Å; Q333-D336 VanDerWaalsContact O-N 3.08Å; A334-D336 PolarHBondContact O-N 3.2Å; D336-S338 WeakPolarHBondContact OD1-CA 3.37Å; D336-S338 WeakPolarHBondContact OD1-CB 3.36Å; D336-S338 PolarHBondContact OD1-N 3.05Å; D336-S338 PolarHBondContact OD1-OG 2.74Å; D336-A339 PolarHBondContact OD1-N 2.86Å
337	V	85	Confident	93.2	Very high	51 Å²	51	37.4 Å²	37.4	31%	0.309	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.1	172.6	-67.1	0	0	0	0	113.3	I168 G335 T343 F354	I168-V337 HydrophobicContact CD1-CG1 4.2Å; G335-V337 PolarHBondContact O-N 2.89Å; V337-T343 PolarHBondContact O-OG1 2.91Å; V337-F354 HydrophobicContact CG1-CD2 3.6Å; V337-F354 HydrophobicContact CG1-CE2 3.08Å; V337-F354 HydrophobicContact CG1-CZ 3.83Å
338	S	86.7	Confident	93.2	Very high	76 Å²	76	37.8 Å²	37.8	53%	0.531	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.6	-177.1	76.2	0	0	0	0	113.7	D336 T343	D336-S338 WeakPolarHBondContact OD1-CA 3.37Å; D336-S338 WeakPolarHBondContact OD1-CB 3.36Å; D336-S338 PolarHBondContact OD1-N 3.05Å; D336-S338 PolarHBondContact OD1-OG 2.74Å; S338-T343 PolarHBondContact O-OG1 2.93Å
339	A	91.1	Very high	93.1	Very high	19 Å²	19	37.8 Å²	37.8	16%	0.157	23%	0.233	C	C	.	.	S	Bend	trans	-59.2	157.4	172.6	0	0	0	0	0	111.8	D336 V341 P342 T343	D336-A339 PolarHBondContact OD1-N 2.86Å; A339-V341 PolarHBondContact O-N 2.81Å; A339-P342 HydrophobicContact CB-CG 4.05Å; A339-P342 WeakPolarHBondContact O-CD 3.29Å; A339-T343 WeakPolarHBondContact O-CB 3.37Å; A339-T343 PolarHBondContact O-N 2.86Å; A339-T343 PolarHBondContact O-OG1 3.44Å
340	F	91.8	Very high	93.1	Very high	41 Å²	41	39.4 Å²	39.4	18%	0.18	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-51.1	-167.5	-178	-130.4	0	0	0	113.7	R283 E284 F286 V290 N344	R283-F340 HydrophobicContact CB-CD1 4.26Å; R283-F340 HydrophobicContact CB-CE1 4.33Å; R283-F340 HydrophobicContact CB-CG 4.37Å; R283-F340 HydrophobicContact CG-CB 4.38Å; R283-F340 HydrophobicContact CG-CG 4.25Å; E284-F340 VanDerWaalsContact OE1-CB 3.26Å; E284-F340 WeakPolarHBondContact OE1-CB 3.16Å; E284-F340 PolarHBondContact OE1-N 3.48Å; F286-F340 HydrophobicContact CB-CD1 4.43Å; F286-F340 HydrophobicContact CB-CE1 4.18Å; F286-F340 HydrophobicContact CD2-CD1 4.04Å; V290-F340 HydrophobicContact CG1-CD1 4.39Å; V290-F340 HydrophobicContact CG1-CE1 3.48Å; V290-F340 VanDerWaalsContact CG1-CE1 3.48Å; V290-F340 HydrophobicContact CG1-CZ 3.95Å; F340-N344 VanDerWaalsContact O-CG 3.26Å; F340-N344 PolarHBondContact O-N 3.01Å; F340-N344 VanDerWaalsContact O-N 3.11Å; F340-N344 PolarHBondContact O-ND2 2.83Å
341	V	94.2	Very high	93	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.048	24%	0.242	C	C	.	.	H	α-helix	trans	-67	-48.1	-179	174.3	0	0	0	0	112.4	A267 F286 I330 A339 T343 N344 V345	A267-V341 HydrophobicContact CB-CG1 4.21Å; A267-V341 HydrophobicContact CB-CG2 4.14Å; F286-V341 HydrophobicContact CD1-CG2 4.36Å; F286-V341 HydrophobicContact CD2-CG2 4.11Å; F286-V341 HydrophobicContact CE1-CG2 3.95Å; F286-V341 HydrophobicContact CE2-CG2 3.66Å; F286-V341 HydrophobicContact CG-CG2 4.44Å; F286-V341 HydrophobicContact CZ-CG2 3.58Å; I330-V341 HydrophobicContact CD1-CG1 4.14Å; A339-V341 PolarHBondContact O-N 2.81Å; V341-T343 VanDerWaalsContact C-N 3.35Å; V341-T343 PolarHBondContact O-N 3.42Å; V341-N344 PolarHBondContact O-N 2.81Å; V341-V345 PolarHBondContact O-N 3.14Å; V341-V345 VanDerWaalsContact O-N 3.11Å
342	P	94.8	Very high	93	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-52.9	-47.8	173.5	-31.1	37.8	0	0	0	113.9	I168 I330 T332 A339 N344 V345 I346	I168-P342 HydrophobicContact CD1-CB 3.84Å; I330-P342 HydrophobicContact CG2-CB 4.18Å; I330-P342 HydrophobicContact CG2-CG 3.88Å; T332-P342 HydrophobicContact CG2-CB 4.48Å; T332-P342 HydrophobicContact CG2-CG 4.16Å; A339-P342 HydrophobicContact CB-CG 4.05Å; A339-P342 WeakPolarHBondContact O-CD 3.29Å; P342-N344 VanDerWaalsContact C-N 3.34Å; P342-N344 PolarHBondContact O-N 3.31Å; P342-V345 PolarHBondContact O-N 3.13Å; P342-I346 VanDerWaalsContact O-CG1 3.26Å; P342-I346 WeakPolarHBondContact O-CG1 3.46Å; P342-I346 PolarHBondContact O-N 3.1Å
343	T	95	Very high	93.2	Very high	65 Å²	65	38.1 Å²	38.1	40%	0.399	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-41.9	-179.7	-56.5	0	0	0	0	111.7	V337 S338 A339 V341 V345 I346 S347	V337-T343 PolarHBondContact O-OG1 2.91Å; S338-T343 PolarHBondContact O-OG1 2.93Å; A339-T343 WeakPolarHBondContact O-CB 3.37Å; A339-T343 PolarHBondContact O-N 2.86Å; A339-T343 PolarHBondContact O-OG1 3.44Å; V341-T343 VanDerWaalsContact C-N 3.35Å; V341-T343 PolarHBondContact O-N 3.42Å; T343-V345 PolarHBondContact O-N 2.97Å; T343-I346 PolarHBondContact O-N 3.23Å; T343-S347 PolarHBondContact O-N 3.15Å; T343-S347 VanDerWaalsContact O-N 3.12Å
344	N	96.2	Very high	93.4	Very high	20 Å²	20	32.2 Å²	32.2	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-49.2	176	-73	-13.3	0	0	0	111.1	F291 F340 V341 P342 S347 I348	F291-N344 HydrophobicContact CD2-CB 4.02Å; F340-N344 VanDerWaalsContact O-CG 3.26Å; F340-N344 PolarHBondContact O-N 3.01Å; F340-N344 VanDerWaalsContact O-N 3.11Å; F340-N344 PolarHBondContact O-ND2 2.83Å; V341-N344 PolarHBondContact O-N 2.81Å; P342-N344 VanDerWaalsContact C-N 3.34Å; P342-N344 PolarHBondContact O-N 3.31Å; N344-S347 PolarHBondContact O-N 3.11Å; N344-S347 PolarHBondContact O-OG 3.26Å; N344-I348 WeakPolarHBondContact O-CD1 3.4Å; N344-I348 WeakPolarHBondContact O-CG1 3.47Å; N344-I348 PolarHBondContact O-N 3.13Å
345	V	96.7	Very high	93.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-37.7	-176.8	-175.9	0	0	0	0	111.8	L166 H294 L298 I330 V341 P342 T343 S347 I348 T349	L166-V345 HydrophobicContact CD1-CG1 3.72Å; L166-V345 HydrophobicContact CD2-CB 4.41Å; L166-V345 HydrophobicContact CD2-CG1 4.12Å; L166-V345 HydrophobicContact CG-CG1 4.42Å; H294-V345 HydrophobicContact CB-CG2 4.41Å; H294-V345 WeakPolarHBondContact ND1-CG2 3.19Å; L298-V345 HydrophobicContact CD1-CG1 4.04Å; I330-V345 HydrophobicContact CD1-CG2 4Å; I330-V345 HydrophobicContact CG1-CB 4.17Å; I330-V345 HydrophobicContact CG1-CG1 4.16Å; I330-V345 HydrophobicContact CG1-CG2 4.16Å; V341-V345 PolarHBondContact O-N 3.14Å; V341-V345 VanDerWaalsContact O-N 3.11Å; P342-V345 PolarHBondContact O-N 3.13Å; T343-V345 PolarHBondContact O-N 2.97Å; V345-S347 PolarHBondContact O-N 3.2Å; V345-I348 PolarHBondContact O-N 2.85Å; V345-T349 HydrophobicContact CG1-CG2 4.04Å; V345-T349 PolarHBondContact O-N 3.11Å; V345-T349 PolarHBondContact O-OG1 3.47Å
346	I	96.4	Very high	94.3	Very high	40 Å²	40	27.8 Å²	27.8	21%	0.205	16%	0.162	C	C	.	.	H	α-helix	trans	-55.8	-39.3	172	-69.8	164.9	0	0	0	110.8	L166 I168 P342 T343 I348 R376	L166-I346 HydrophobicContact CD2-CB 4.47Å; L166-I346 HydrophobicContact CD2-CG1 3.56Å; I168-I346 HydrophobicContact CD1-CD1 4.16Å; P342-I346 VanDerWaalsContact O-CG1 3.26Å; P342-I346 WeakPolarHBondContact O-CG1 3.46Å; P342-I346 PolarHBondContact O-N 3.1Å; T343-I346 PolarHBondContact O-N 3.23Å; I346-I348 VanDerWaalsContact C-N 3.28Å; I346-I348 PolarHBondContact O-N 3.48Å; I346-R376 PolarHBondContact O-NH2 3.49Å
347	S	96.7	Very high	94.6	Very high	67 Å²	67	26.5 Å²	26.5	47%	0.469	16%	0.157	S	C	.	.	H	α-helix	trans	-72.2	-20.3	179.3	72.5	0	0	0	0	114	F291 T343 N344 V345	F291-S347 WeakPolarHBondContact CE2-OG 3.42Å; T343-S347 PolarHBondContact O-N 3.15Å; T343-S347 VanDerWaalsContact O-N 3.12Å; N344-S347 PolarHBondContact O-N 3.11Å; N344-S347 PolarHBondContact O-OG 3.26Å; V345-S347 PolarHBondContact O-N 3.2Å
348	I	97.3	Very high	95	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.051	17%	0.171	C	C	.	.	H	α-helix	trans	-91.4	-38.6	-178.6	-64.2	160.6	0	0	0	111.9	R164 F291 H294 L298 N344 V345 I346	R164-I348 PolarHBondContact NE-O 3.07Å; R164-I348 PolarHBondContact NH2-O 3.39Å; F291-I348 HydrophobicContact CD2-CD1 4.12Å; F291-I348 HydrophobicContact CD2-CG1 4.46Å; F291-I348 HydrophobicContact CE2-CD1 3.83Å; F291-I348 HydrophobicContact CE2-CG1 3.69Å; F291-I348 HydrophobicContact CZ-CD1 4.2Å; F291-I348 HydrophobicContact CZ-CG1 3.82Å; H294-I348 HydrophobicContact CB-CD1 3.83Å; L298-I348 HydrophobicContact CB-CG2 3.67Å; L298-I348 HydrophobicContact CD1-CB 4.3Å; L298-I348 HydrophobicContact CD1-CG2 3.67Å; L298-I348 HydrophobicContact CG-CG2 4.31Å; N344-I348 WeakPolarHBondContact O-CD1 3.4Å; N344-I348 WeakPolarHBondContact O-CG1 3.47Å; N344-I348 PolarHBondContact O-N 3.13Å; V345-I348 PolarHBondContact O-N 2.85Å; I346-I348 VanDerWaalsContact C-N 3.28Å; I346-I348 PolarHBondContact O-N 3.48Å
349	T	98	Very high	95.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-76.1	159.1	-177.9	57.5	0	0	0	0	112.3	R164 L166 L298 P328 V345 G351 R376	R164-T349 HydrophobicContact CB-CG2 4.3Å; R164-T349 WeakPolarHBondContact O-CB 3.47Å; L166-T349 HydrophobicContact CB-CG2 3.94Å; L298-T349 HydrophobicContact CD1-CG2 4.02Å; P328-T349 HydrophobicContact CG-CG2 3.83Å; V345-T349 HydrophobicContact CG1-CG2 4.04Å; V345-T349 PolarHBondContact O-N 3.11Å; V345-T349 PolarHBondContact O-OG1 3.47Å; T349-G351 WeakPolarHBondContact CB-O 3.4Å; T349-G351 PolarHBondContact O-N 3.26Å; T349-G351 PolarHBondContact OG1-O 3.18Å; T349-R376 PolarHBondContact O-NH1 2.8Å; T349-R376 PolarHBondContact O-NH2 2.83Å
350	D	96.9	Very high	95.4	Very high	34 Å²	34	28.3 Å²	28.3	18%	0.182	15%	0.154	C	C	.	.	S	Bend	trans	-83.1	14.1	177.4	-57.9	-51.7	0	0	0	112.3	Q163 R164 R376 V377	Q163-D350 HydrophobicContact CG-CB 3.89Å; R164-D350 IonicContact CZ-OD1 2.86Å; R164-D350 IonicContact CZ-OD2 3.42Å; R164-D350 PolarHBondContact N-OD2 2.88Å; R164-D350 VanDerWaalsContact N-OD2 3.11Å; R164-D350 IonicContact NE-OD2 2.65Å; R164-D350 IonicContact NH1-OD1 3.53Å; R164-D350 IonicContact NH1-OD2 2.71Å; R164-D350 PolarHBondContact NH1-OD2 3.41Å; R164-D350 IonicContact NH2-OD1 3.37Å; R164-D350 PolarHBondContact NH2-OD1 3.23Å; R164-D350 IonicContact NH2-OD2 3.32Å; R164-D350 PolarHBondContact NH2-OD2 3.12Å; R164-D350 PolarHBondContact O-N 2.94Å; D350-R376 WeakPolarHBondContact O-CA 3.39Å; D350-R376 WeakPolarHBondContact O-CB 3.45Å; D350-R376 WeakPolarHBondContact O-CG 3.21Å; D350-R376 PolarHBondContact O-N 3.49Å; D350-V377 HydrophobicContact CB-CG2 4.37Å
351	G	96.3	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	175.2	-172.6	0	0	0	0	0	111.9	E165 L166 T349 V374	E165-G351 VanDerWaalsContact OE2-CA 3.28Å; E165-G351 WeakPolarHBondContact OE2-CA 3.32Å; L166-G351 WeakPolarHBondContact CB-O 3.43Å; L166-G351 PolarHBondContact N-O 3.28Å; L166-G351 VanDerWaalsContact N-O 3.12Å; T349-G351 WeakPolarHBondContact CB-O 3.4Å; T349-G351 PolarHBondContact O-N 3.26Å; T349-G351 PolarHBondContact OG1-O 3.18Å; G351-V374 CarbonylContact C-O 3.45Å; G351-V374 WeakPolarHBondContact CA-O 3.42Å
352	Q	96.8	Very high	95.5	Very high	25 Å²	25	35 Å²	35	12%	0.117	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	143.3	176.7	70.3	-78.4	-10.4	0	0	112.3	E165 L166 I168 I372 S373 V374	E165-Q352 VanDerWaalsContact OE1-C 3.3Å; E165-Q352 WeakPolarHBondContact OE1-CA 3.44Å; E165-Q352 PolarHBondContact OE1-N 3.42Å; L166-Q352 HydrophobicContact CB-CB 3.93Å; L166-Q352 HydrophobicContact CD2-CB 4.22Å; L166-Q352 HydrophobicContact CG-CB 4.31Å; L166-Q352 CarbonylContact O-C 3.57Å; L166-Q352 VanDerWaalsContact O-CA 3.23Å; L166-Q352 WeakPolarHBondContact O-CA 3.39Å; I168-Q352 HydrophobicContact CG2-CB 4.12Å; Q352-I372 PolarHBondContact NE2-O 3Å; Q352-S373 CarbonylContact O-C 3.46Å; Q352-S373 WeakPolarHBondContact O-CA 3.27Å; Q352-S373 VanDerWaalsContact O-CB 3.28Å; Q352-S373 WeakPolarHBondContact O-CB 3.42Å; Q352-V374 PolarHBondContact N-O 3.46Å; Q352-V374 PolarHBondContact O-N 3.36Å
353	I	97	Very high	95.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	108.9	167.2	-57.6	167.9	0	0	0	107	V153 I157 I159 E165 L166 I167 I168 L178 L355 V368	V153-I353 HydrophobicContact CG1-CD1 3.72Å; V153-I353 HydrophobicContact CG2-CD1 4.21Å; I157-I353 HydrophobicContact CB-CG1 4.39Å; I157-I353 HydrophobicContact CD1-CG1 4.07Å; I157-I353 HydrophobicContact CD1-CG2 4.29Å; I157-I353 HydrophobicContact CG2-CG1 3.83Å; I159-I353 HydrophobicContact CD1-CD1 4.14Å; E165-I353 HydrophobicContact CG-CD1 3.98Å; E165-I353 HydrophobicContact CG-CG1 4.03Å; L166-I353 PolarHBondContact O-N 2.73Å; I167-I353 HydrophobicContact CG1-CD1 4.35Å; I168-I353 WeakPolarHBondContact CG2-O 3.35Å; I168-I353 PolarHBondContact N-O 3.32Å; L178-I353 HydrophobicContact CD2-CD1 4.27Å; L178-I353 HydrophobicContact CD2-CG2 3.96Å; I353-L355 HydrophobicContact CG2-CD2 4.16Å; I353-V368 HydrophobicContact CG2-CG1 4.26Å; I353-V368 HydrophobicContact CG2-CG2 4.04Å
354	F	95.7	Very high	95.4	Very high	13 Å²	13	35 Å²	35	6%	0.057	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.2	178.7	-172.9	-100.2	0	0	0	111	I168 V337 E356 N369 I372 S373	I168-F354 HydrophobicContact CG1-CD2 4.34Å; I168-F354 HydrophobicContact CG2-CB 4.31Å; I168-F354 HydrophobicContact CG2-CD2 3.91Å; I168-F354 WeakPolarHBondContact O-CA 3.47Å; V337-F354 HydrophobicContact CG1-CD2 3.6Å; V337-F354 HydrophobicContact CG1-CE2 3.08Å; V337-F354 HydrophobicContact CG1-CZ 3.83Å; F354-E356 HydrophobicContact CD1-CB 4.36Å; F354-E356 HydrophobicContact CE1-CB 4.04Å; F354-E356 HydrophobicContact CE1-CG 4.25Å; F354-N369 HydrophobicContact CD1-CB 3.87Å; F354-N369 PolarHBondContact O-N 3.05Å; F354-I372 HydrophobicContact CB-CB 4.1Å; F354-I372 HydrophobicContact CB-CG2 3.73Å; F354-I372 HydrophobicContact CD1-CB 4.27Å; F354-I372 HydrophobicContact CD1-CD1 3.93Å; F354-I372 HydrophobicContact CD1-CG2 4.18Å; F354-I372 HydrophobicContact CD2-CG2 4.33Å; F354-I372 HydrophobicContact CE1-CD1 4.03Å; F354-I372 HydrophobicContact CG-CB 4.29Å; F354-I372 HydrophobicContact CG-CG2 3.81Å; F354-S373 PolarHBondContact N-OG 3.5Å
355	L	96.7	Very high	95.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.6	176.9	-61.1	-175.2	0	0	0	110.7	I167 I168 K175 L178 I353 A367 V368	I167-L355 HydrophobicContact CG2-CD1 4.2Å; I168-L355 PolarHBondContact O-N 2.81Å; K175-L355 HydrophobicContact CB-CD1 4.38Å; K175-L355 HydrophobicContact CG-CD1 3.92Å; L178-L355 HydrophobicContact CD2-CD1 4.46Å; I353-L355 HydrophobicContact CG2-CD2 4.16Å; L355-A367 WeakPolarHBondContact CA-O 3.41Å; L355-V368 HydrophobicContact CD2-CB 4.48Å; L355-V368 HydrophobicContact CD2-CG2 3.77Å
356	E	93.4	Very high	95.3	Very high	34 Å²	34	41 Å²	41	16%	0.159	23%	0.23	C	C	.	.			trans	-97.9	130.6	-172.4	-167.8	-177.8	157.2	0	0	112.3	F354 N358 L359 F360 A367 N369 R401	F354-E356 HydrophobicContact CD1-CB 4.36Å; F354-E356 HydrophobicContact CE1-CB 4.04Å; F354-E356 HydrophobicContact CE1-CG 4.25Å; E356-N358 VanDerWaalsContact C-N 3.32Å; E356-N358 HydrophobicContact CG-CB 4.32Å; E356-N358 PolarHBondContact O-N 3.48Å; E356-N358 PolarHBondContact OE1-ND2 3.41Å; E356-L359 HydrophobicContact CB-CB 4.32Å; E356-L359 HydrophobicContact CB-CD1 3.99Å; E356-L359 HydrophobicContact CB-CG 4.04Å; E356-L359 HydrophobicContact CG-CG 4.49Å; E356-L359 PolarHBondContact O-N 3.24Å; E356-F360 PolarHBondContact O-N 3.37Å; E356-F360 VanDerWaalsContact O-N 3.1Å; E356-A367 PolarHBondContact N-O 2.9Å; E356-N369 PolarHBondContact OE2-ND2 2.89Å; E356-R401 IonicContact OE2-NH1 2.86Å; E356-R401 IonicContact OE2-NH2 2.96Å; E356-R401 PolarHBondContact OE2-NH2 2.99Å
357	T	94.2	Very high	95.2	Very high	43 Å²	43	39.2 Å²	39.2	26%	0.264	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-40.3	178.6	-55.9	0	0	0	0	112.7	D170 F360 N361	D170-T357 WeakPolarHBondContact CB-OG1 3.49Å; D170-T357 PolarHBondContact OD2-OG1 3.28Å; D170-T357 VanDerWaalsContact OD2-OG1 3.1Å; T357-F360 PolarHBondContact O-N 2.98Å; T357-N361 WeakPolarHBondContact O-CB 3.31Å; T357-N361 VanDerWaalsContact O-CG 3.27Å; T357-N361 PolarHBondContact O-N 3.27Å; T357-N361 PolarHBondContact O-ND2 3.29Å
358	N	92.3	Very high	95.1	Very high	111 Å²	111	36.4 Å²	36.4	59%	0.594	20%	0.201	S	C	*	.	H	α-helix	trans	-64	-43.9	-180	-62.9	-34.2	0	0	0	112.2	E356 F360 N361 A362	E356-N358 VanDerWaalsContact C-N 3.32Å; E356-N358 HydrophobicContact CG-CB 4.32Å; E356-N358 PolarHBondContact O-N 3.48Å; E356-N358 PolarHBondContact OE1-ND2 3.41Å; N358-F360 VanDerWaalsContact C-N 3.34Å; N358-N361 PolarHBondContact O-N 3.4Å; N358-A362 WeakPolarHBondContact O-CB 3.49Å; N358-A362 PolarHBondContact O-N 3.01Å
359	L	92.7	Very high	94.8	Very high	24 Å²	24	36.4 Å²	36.4	13%	0.126	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.7	-64.6	178.9	0	0	0	110.8	E356 N361 A362 G363 I364 A367 N369	E356-L359 HydrophobicContact CB-CB 4.32Å; E356-L359 HydrophobicContact CB-CD1 3.99Å; E356-L359 HydrophobicContact CB-CG 4.04Å; E356-L359 HydrophobicContact CG-CG 4.49Å; E356-L359 PolarHBondContact O-N 3.24Å; L359-N361 VanDerWaalsContact C-N 3.34Å; L359-N361 PolarHBondContact O-N 3.49Å; L359-A362 PolarHBondContact O-N 2.75Å; L359-G363 PolarHBondContact O-N 3.13Å; L359-I364 HydrophobicContact CB-CB 4.26Å; L359-I364 HydrophobicContact CD2-CD1 3.76Å; L359-I364 WeakPolarHBondContact O-CB 3.16Å; L359-I364 PolarHBondContact O-N 3.41Å; L359-A367 HydrophobicContact CB-CB 4.08Å; L359-N369 HydrophobicContact CD1-CB 4.28Å
360	F	94.4	Very high	94.3	Very high	48 Å²	48	37.2 Å²	37.2	21%	0.211	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-42.4	177.8	-171.4	-89.9	0	0	0	112.6	T173 E356 T357 N358 G363 R365 A367	T173-F360 WeakPolarHBondContact O-CD2 3.43Å; E356-F360 PolarHBondContact O-N 3.37Å; E356-F360 VanDerWaalsContact O-N 3.1Å; T357-F360 PolarHBondContact O-N 2.98Å; N358-F360 VanDerWaalsContact C-N 3.34Å; F360-G363 PolarHBondContact O-N 2.88Å; F360-R365 HydrophobicContact CD2-CG 4.03Å; F360-R365 HydrophobicContact CE2-CG 4.08Å; F360-A367 HydrophobicContact CB-CB 3.72Å; F360-A367 HydrophobicContact CD2-CB 4.18Å; F360-A367 HydrophobicContact CG-CB 4.48Å
361	N	94.4	Very high	93.7	Very high	119 Å²	119	38.4 Å²	38.4	64%	0.636	23%	0.226	S	C	*	.	H	α-helix	trans	-70.5	-32.2	177.9	-70.7	-17.6	0	0	0	112.4	T357 N358 L359 G363	T357-N361 WeakPolarHBondContact O-CB 3.31Å; T357-N361 VanDerWaalsContact O-CG 3.27Å; T357-N361 PolarHBondContact O-N 3.27Å; T357-N361 PolarHBondContact O-ND2 3.29Å; N358-N361 PolarHBondContact O-N 3.4Å; L359-N361 VanDerWaalsContact C-N 3.34Å; L359-N361 PolarHBondContact O-N 3.49Å; N361-G363 PolarHBondContact O-N 3.26Å
362	A	93.2	Very high	93.4	Very high	72 Å²	72	42 Å²	42	60%	0.595	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	2.8	171.9	0	0	0	0	0	113.6	N358 L359 I364	N358-A362 WeakPolarHBondContact O-CB 3.49Å; N358-A362 PolarHBondContact O-N 3.01Å; L359-A362 PolarHBondContact O-N 2.75Å; A362-I364 VanDerWaalsContact C-N 3.34Å
363	G	93.6	Very high	93.2	Very high	34 Å²	34	40.8 Å²	40.8	35%	0.351	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	9.4	178.6	0	0	0	0	0	114.6	L359 F360 N361 R365	L359-G363 PolarHBondContact O-N 3.13Å; F360-G363 PolarHBondContact O-N 2.88Å; N361-G363 PolarHBondContact O-N 3.26Å; G363-R365 PolarHBondContact O-N 2.8Å
364	I	93.7	Very high	93	Very high	38 Å²	38	43 Å²	43	20%	0.195	25%	0.252	C	S	.	.			trans	-81.4	107.1	172.3	-60.1	167.8	0	0	0	107.8	L359 A362 A367 T428	L359-I364 HydrophobicContact CB-CB 4.26Å; L359-I364 HydrophobicContact CD2-CD1 3.76Å; L359-I364 WeakPolarHBondContact O-CB 3.16Å; L359-I364 PolarHBondContact O-N 3.41Å; A362-I364 VanDerWaalsContact C-N 3.34Å; I364-A367 WeakPolarHBondContact O-CA 3.41Å; I364-A367 WeakPolarHBondContact O-CB 3.43Å; I364-T428 HydrophobicContact CD1-CG2 3.79Å; I364-T428 HydrophobicContact CG1-CG2 4.18Å
365	R	95.6	Very high	92.9	Very high	127 Å²	127	42.9 Å²	42.9	48%	0.479	25%	0.254	S	S	.	.	S	Bend	trans	-135.1	123.1	-176.6	-62	-177.1	-175.4	170.2	2.6	109.3	F360 G363 K432 Q433	F360-R365 HydrophobicContact CD2-CG 4.03Å; F360-R365 HydrophobicContact CE2-CG 4.08Å; G363-R365 PolarHBondContact O-N 2.8Å; R365-K432 CarbonylContact O-C 3.56Å; R365-K432 VanDerWaalsContact O-CA 3.29Å; R365-K432 WeakPolarHBondContact O-CA 3.5Å; R365-Q433 PolarHBondContact O-N 2.82Å
366	P	95.6	Very high	92.7	Very high	20 Å²	20	49.2 Å²	49.2	13%	0.13	28%	0.278	C	S	.	.	S	Bend	cis	-67.7	144.4	1.4	31.4	-36.9	0	0	0	112.5	Y150 A152 V368	Y150-P366 HydrophobicContact CD1-CG 3.84Å; Y150-P366 HydrophobicContact CE1-CG 4.17Å; Y150-P366 HydrophobicContact CG-CG 4.29Å; A152-P366 HydrophobicContact CB-CG 4Å; P366-V368 HydrophobicContact CB-CG2 4.09Å; P366-V368 HydrophobicContact CG-CG2 4.21Å; P366-V368 PolarHBondContact O-N 3.12Å
367	A	94.8	Very high	92.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	28%	0.281	C	S	.	.			trans	-81.1	42.2	-170.8	0	0	0	0	0	113.5	L355 E356 L359 F360 I364 N369	L355-A367 WeakPolarHBondContact CA-O 3.41Å; E356-A367 PolarHBondContact N-O 2.9Å; L359-A367 HydrophobicContact CB-CB 4.08Å; F360-A367 HydrophobicContact CB-CB 3.72Å; F360-A367 HydrophobicContact CD2-CB 4.18Å; F360-A367 HydrophobicContact CG-CB 4.48Å; I364-A367 WeakPolarHBondContact O-CA 3.41Å; I364-A367 WeakPolarHBondContact O-CB 3.43Å; A367-N369 PolarHBondContact O-N 3.23Å
368	V	94.4	Very high	92.4	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-72.3	123.1	-174.2	179.6	0	0	0	0	110.1	A152 V153 M156 I157 I353 L355 P366 P370	A152-V368 HydrophobicContact CB-CG2 4.35Å; V153-V368 HydrophobicContact CG2-CG2 4.18Å; M156-V368 HydrophobicContact CE-CG1 4.1Å; I157-V368 HydrophobicContact CD1-CG1 3.4Å; I157-V368 VanDerWaalsContact CD1-CG1 3.4Å; I353-V368 HydrophobicContact CG2-CG1 4.26Å; I353-V368 HydrophobicContact CG2-CG2 4.04Å; L355-V368 HydrophobicContact CD2-CB 4.48Å; L355-V368 HydrophobicContact CD2-CG2 3.77Å; P366-V368 HydrophobicContact CB-CG2 4.09Å; P366-V368 HydrophobicContact CG-CG2 4.21Å; P366-V368 PolarHBondContact O-N 3.12Å; V368-P370 WeakPolarHBondContact O-CD 3.32Å
369	N	91.1	Very high	92.2	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.048	26%	0.262	C	S	.	.			trans	-83	110.5	172.2	-176.8	-44.9	0	0	0	109.9	F354 E356 L359 A367 G371 I372 S373 R401	F354-N369 HydrophobicContact CD1-CB 3.87Å; F354-N369 PolarHBondContact O-N 3.05Å; E356-N369 PolarHBondContact OE2-ND2 2.89Å; L359-N369 HydrophobicContact CD1-CB 4.28Å; A367-N369 PolarHBondContact O-N 3.23Å; N369-G371 VanDerWaalsContact C-N 3.25Å; N369-G371 PolarHBondContact O-N 3.28Å; N369-G371 PolarHBondContact OD1-N 2.96Å; N369-I372 HydrophobicContact CB-CB 4.45Å; N369-I372 PolarHBondContact OD1-N 2.75Å; N369-S373 WeakPolarHBondContact O-CB 3.33Å; N369-S373 PolarHBondContact O-N 2.88Å; N369-S373 PolarHBondContact O-OG 3.36Å; N369-R401 PolarHBondContact ND2-NH1 3.11Å; N369-R401 PolarHBondContact OD1-NH1 3.25Å; N369-R401 VanDerWaalsContact OD1-NH1 3.12Å
370	P	87.8	Confident	92	Very high	18 Å²	18	45.6 Å²	45.6	12%	0.117	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17	-176.3	28	-37.6	0	0	0	114.8	M156 V368 L397	M156-P370 HydrophobicContact CE-CB 4.4Å; M156-P370 HydrophobicContact SD-CB 3.76Å; V368-P370 WeakPolarHBondContact O-CD 3.32Å; P370-L397 HydrophobicContact CB-CB 4.41Å; P370-L397 HydrophobicContact CG-CB 4.29Å
371	G	84.8	Confident	91.9	Very high	58 Å²	58	43.5 Å²	43.5	60%	0.598	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-38.6	-178.8	0	0	0	0	0	113.3	N369	N369-G371 VanDerWaalsContact C-N 3.25Å; N369-G371 PolarHBondContact O-N 3.28Å; N369-G371 PolarHBondContact OD1-N 2.96Å
372	I	88.8	Confident	91.6	Very high	75 Å²	75	39 Å²	39	39%	0.385	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-31	-179.5	-60.6	176.7	0	0	0	111.4	Q352 F354 N369	Q352-I372 PolarHBondContact NE2-O 3Å; F354-I372 HydrophobicContact CB-CB 4.1Å; F354-I372 HydrophobicContact CB-CG2 3.73Å; F354-I372 HydrophobicContact CD1-CB 4.27Å; F354-I372 HydrophobicContact CD1-CD1 3.93Å; F354-I372 HydrophobicContact CD1-CG2 4.18Å; F354-I372 HydrophobicContact CD2-CG2 4.33Å; F354-I372 HydrophobicContact CE1-CD1 4.03Å; F354-I372 HydrophobicContact CG-CB 4.29Å; F354-I372 HydrophobicContact CG-CG2 3.81Å; N369-I372 HydrophobicContact CB-CB 4.45Å; N369-I372 PolarHBondContact OD1-N 2.75Å
373	S	92.7	Very high	91.5	Very high	1 Å²	1	36 Å²	36	1%	0.007	22%	0.218	C	C	.	.			trans	-76.5	138.4	-179.7	-49.3	0	0	0	0	111.6	Q352 F354 N369	Q352-S373 CarbonylContact O-C 3.46Å; Q352-S373 WeakPolarHBondContact O-CA 3.27Å; Q352-S373 VanDerWaalsContact O-CB 3.28Å; Q352-S373 WeakPolarHBondContact O-CB 3.42Å; F354-S373 PolarHBondContact N-OG 3.5Å; N369-S373 WeakPolarHBondContact O-CB 3.33Å; N369-S373 PolarHBondContact O-N 2.88Å; N369-S373 PolarHBondContact O-OG 3.36Å
374	V	93.4	Very high	91.3	Very high	46 Å²	46	38.9 Å²	38.9	28%	0.279	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	136.5	-172.9	177.2	0	0	0	0	109.1	G351 Q352	G351-V374 CarbonylContact C-O 3.45Å; G351-V374 WeakPolarHBondContact CA-O 3.42Å; Q352-V374 PolarHBondContact N-O 3.46Å; Q352-V374 PolarHBondContact O-N 3.36Å
375	S	93.5	Very high	91.1	Very high	12 Å²	12	37.1 Å²	37.1	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.5	162.8	160.8	0	0	0	0	108	P158 Q163 V377 G378	P158-S375 WeakPolarHBondContact O-CB 3.33Å; P158-S375 PolarHBondContact O-OG 2.94Å; Q163-S375 PolarHBondContact NE2-OG 3.04Å; S375-V377 VanDerWaalsContact C-N 3.35Å; S375-G378 PolarHBondContact O-N 2.96Å; S375-G378 PolarHBondContact OG-N 2.93Å
376	R	93	Very high	90.9	Very high	135 Å²	135	31.1 Å²	31.1	51%	0.509	19%	0.189	S	C	.	.	S	Bend	trans	-75.7	-24.5	-179	-57.1	173.8	-170.3	165.8	8.5	112	I346 T349 D350 G378	I346-R376 PolarHBondContact O-NH2 3.49Å; T349-R376 PolarHBondContact O-NH1 2.8Å; T349-R376 PolarHBondContact O-NH2 2.83Å; D350-R376 WeakPolarHBondContact O-CA 3.39Å; D350-R376 WeakPolarHBondContact O-CB 3.45Å; D350-R376 WeakPolarHBondContact O-CG 3.21Å; D350-R376 PolarHBondContact O-N 3.49Å; R376-G378 VanDerWaalsContact C-N 3.31Å
377	V	90.8	Very high	90.6	Very high	38 Å²	38	35.6 Å²	35.6	23%	0.23	21%	0.206	C	C	.	.	S	Bend	trans	-69.4	-36	170.1	-179.7	0	0	0	0	110.2	V142 Q163 D350 S375 A380 A381	V142-V377 HydrophobicContact CB-CG1 4.18Å; V142-V377 HydrophobicContact CG1-CG1 4.15Å; Q163-V377 HydrophobicContact CB-CG2 4.4Å; Q163-V377 HydrophobicContact CG-CG2 3.84Å; D350-V377 HydrophobicContact CB-CG2 4.37Å; S375-V377 VanDerWaalsContact C-N 3.35Å; V377-A380 HydrophobicContact CG1-CB 4.13Å; V377-A381 HydrophobicContact CG1-CB 3.84Å
378	G	89.6	Confident	90.3	Very high	21 Å²	21	41.4 Å²	41.4	22%	0.216	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	61.5	-148	174.8	0	0	0	0	0	112.9	P158 S375 R376 A380 A381	P158-G378 VanDerWaalsContact CG-O 3.26Å; P158-G378 WeakPolarHBondContact CG-O 3.3Å; S375-G378 PolarHBondContact O-N 2.96Å; S375-G378 PolarHBondContact OG-N 2.93Å; R376-G378 VanDerWaalsContact C-N 3.31Å; G378-A380 PolarHBondContact O-N 2.99Å; G378-A381 PolarHBondContact O-N 3.2Å; G378-A381 VanDerWaalsContact O-N 3.11Å
379	G	87.8	Confident	90	Very high	23 Å²	23	41.2 Å²	41.2	24%	0.237	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-68.7	9.3	-176.2	0	0	0	0	0	115.7	A381 K387	G379-A381 VanDerWaalsContact C-N 3.34Å; G379-K387 WeakPolarHBondContact O-CD 3.41Å; G379-K387 WeakPolarHBondContact O-CE 3.31Å; G379-K387 PolarHBondContact O-NZ 2.79Å
380	A	89.8	Confident	89.9	Confident	54 Å²	54	41.2 Å²	41.2	45%	0.446	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-74.3	-28.8	165.7	0	0	0	0	0	111.6	V377 G378 Q382	V377-A380 HydrophobicContact CG1-CB 4.13Å; G378-A380 PolarHBondContact O-N 2.99Å; A380-Q382 VanDerWaalsContact C-N 3.33Å
381	A	90.5	Very high	89.6	Confident	3 Å²	3	42.6 Å²	42.6	3%	0.025	25%	0.248	C	C	.	.	S	Bend	trans	-87.9	7.1	176.6	0	0	0	0	0	113.8	P145 P158 V377 G378 G379	P145-A381 VanDerWaalsContact CA-O 3.29Å; P145-A381 WeakPolarHBondContact CA-O 3.5Å; P145-A381 WeakPolarHBondContact CB-O 3.3Å; P158-A381 HydrophobicContact CB-CB 4.37Å; V377-A381 HydrophobicContact CG1-CB 3.84Å; G378-A381 PolarHBondContact O-N 3.2Å; G378-A381 VanDerWaalsContact O-N 3.11Å; G379-A381 VanDerWaalsContact C-N 3.34Å
382	Q	90.1	Very high	89.3	Confident	26 Å²	26	40.8 Å²	40.8	12%	0.121	23%	0.229	C	C	.	.	S	Bend	trans	-102.9	149.1	-179.2	-74.2	-179.8	-39.3	0	0	112.1	D154 S155 P158 A380 M386 K387 S390	D154-Q382 PolarHBondContact O-NE2 3.32Å; S155-Q382 PolarHBondContact O-NE2 3.22Å; P158-Q382 HydrophobicContact CB-CG 3.33Å; P158-Q382 HydrophobicContact CG-CG 3.69Å; A380-Q382 VanDerWaalsContact C-N 3.33Å; Q382-M386 HydrophobicContact CB-CB 4.49Å; Q382-M386 HydrophobicContact CG-CG 4.46Å; Q382-K387 HydrophobicContact CB-CB 4.08Å; Q382-S390 PolarHBondContact NE2-OG 3.36Å
383	T	89.8	Confident	89.2	Confident	8 Å²	8	37.2 Å²	37.2	5%	0.049	21%	0.211	C	C	.	.			trans	-62.6	149.8	163.2	59.8	0	0	0	0	109.9	P145 I385 M386 K387 V441	P145-T383 HydrophobicContact CG-CG2 4.08Å; T383-I385 PolarHBondContact O-N 3.31Å; T383-M386 PolarHBondContact O-N 2.55Å; T383-M386 VanDerWaalsContact O-N 3.13Å; T383-M386 VanDerWaalsContact OG1-CB 3.29Å; T383-M386 WeakPolarHBondContact OG1-CB 3.46Å; T383-M386 PolarHBondContact OG1-N 2.86Å; T383-K387 WeakPolarHBondContact O-CB 3.41Å; T383-K387 PolarHBondContact O-N 3.49Å; T383-V441 HydrophobicContact CG2-CG1 4.44Å
384	K	89.1	Confident	88.7	Confident	95 Å²	95	42.5 Å²	42.5	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-34.6	-178.1	-76.9	-177.1	-154.1	152.5	0	112.4	K388 A491 T492 D493	K384-K388 WeakPolarHBondContact O-CG 3.35Å; K384-K388 PolarHBondContact O-N 2.89Å; K384-A491 PolarHBondContact N-O 3.17Å; K384-T492 WeakPolarHBondContact CB-O 3.44Å; K384-T492 WeakPolarHBondContact CD-O 3.33Å; K384-T492 WeakPolarHBondContact CE-O 3.3Å; K384-T492 WeakPolarHBondContact CG-O 3.48Å; K384-T492 PolarHBondContact NZ-O 2.91Å; K384-D493 PolarHBondContact NZ-O 2.94Å; K384-D493 IonicContact NZ-OD1 2.62Å; K384-D493 PolarHBondContact NZ-OD1 3.41Å; K384-D493 VanDerWaalsContact NZ-OD1 3.09Å
385	I	89.6	Confident	88.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-49.1	174.6	-166.5	170.8	0	0	0	111.7	T383 K387 K388 L389 V441 I486 A491 L498 I499 L502	T383-I385 PolarHBondContact O-N 3.31Å; I385-K387 VanDerWaalsContact C-N 3.33Å; I385-K387 PolarHBondContact O-N 2.79Å; I385-K388 PolarHBondContact O-N 2.85Å; I385-L389 HydrophobicContact CG1-CD1 3.9Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 3.08Å; I385-V441 HydrophobicContact CG2-CG1 4.44Å; I385-I486 HydrophobicContact CD1-CD1 4.29Å; I385-I486 HydrophobicContact CD1-CG1 4.28Å; I385-I486 HydrophobicContact CD1-CG2 3.89Å; I385-I486 HydrophobicContact CG2-CG2 4.39Å; I385-A491 HydrophobicContact CB-CB 4.42Å; I385-A491 HydrophobicContact CG2-CB 3.64Å; I385-A491 PolarHBondContact N-O 2.91Å; I385-A491 VanDerWaalsContact N-O 3.16Å; I385-L498 HydrophobicContact CD1-CB 4.13Å; I385-I499 HydrophobicContact CG1-CD1 4.43Å; I385-I499 HydrophobicContact CG1-CG1 4.15Å; I385-L502 HydrophobicContact CD1-CD1 4.39Å
386	M	91.1	Very high	87.6	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-41.3	-178.9	-172	56.4	69.2	0	0	111.2	Q382 T383 K388 L389 S390 Q444 L448	Q382-M386 HydrophobicContact CB-CB 4.49Å; Q382-M386 HydrophobicContact CG-CG 4.46Å; T383-M386 PolarHBondContact O-N 2.55Å; T383-M386 VanDerWaalsContact O-N 3.13Å; T383-M386 VanDerWaalsContact OG1-CB 3.29Å; T383-M386 WeakPolarHBondContact OG1-CB 3.46Å; T383-M386 PolarHBondContact OG1-N 2.86Å; M386-K388 VanDerWaalsContact C-N 3.3Å; M386-K388 PolarHBondContact O-N 2.6Å; M386-L389 PolarHBondContact O-N 2.62Å; M386-S390 VanDerWaalsContact O-CB 3.25Å; M386-S390 WeakPolarHBondContact O-CB 3.44Å; M386-S390 PolarHBondContact O-N 3.1Å; M386-S390 PolarHBondContact O-OG 2.94Å; M386-Q444 HydrophobicContact CE-CB 3.73Å; M386-L448 HydrophobicContact CE-CD1 3.87Å; M386-L448 HydrophobicContact SD-CD1 3.24Å; M386-L448 WeakPolarHBondContact SD-CD1 3.49Å
387	K	90.2	Very high	87.4	Confident	113 Å²	113	37.7 Å²	37.7	49%	0.491	22%	0.217	S	C	.	.	H	α-helix	trans	-59.1	-38.7	176.5	-171.9	177.2	-170.8	158.2	0	113.1	G379 Q382 T383 I385	G379-K387 WeakPolarHBondContact O-CD 3.41Å; G379-K387 WeakPolarHBondContact O-CE 3.31Å; G379-K387 PolarHBondContact O-NZ 2.79Å; Q382-K387 HydrophobicContact CB-CB 4.08Å; T383-K387 WeakPolarHBondContact O-CB 3.41Å; T383-K387 PolarHBondContact O-N 3.49Å; I385-K387 VanDerWaalsContact C-N 3.33Å; I385-K387 PolarHBondContact O-N 2.79Å
388	K	88.1	Confident	87	Confident	124 Å²	124	38.4 Å²	38.4	54%	0.539	23%	0.227	S	C	.	.	H	α-helix	trans	-73.3	-31.4	178.6	-76.8	-177.3	178.5	-175.4	0	113	K384 I385 M386 G496 I499	K384-K388 WeakPolarHBondContact O-CG 3.35Å; K384-K388 PolarHBondContact O-N 2.89Å; I385-K388 PolarHBondContact O-N 2.85Å; M386-K388 VanDerWaalsContact C-N 3.3Å; M386-K388 PolarHBondContact O-N 2.6Å; K388-G496 VanDerWaalsContact NZ-CA 3.3Å; K388-I499 HydrophobicContact CB-CD1 3.68Å; K388-I499 HydrophobicContact CD-CD1 3.89Å; K388-I499 HydrophobicContact CG-CD1 4.45Å
389	L	89.3	Confident	86.7	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-91.8	-25.8	-175.6	-62.1	175.5	0	0	0	113.4	I385 M386 S445 L448 F449 I499	I385-L389 HydrophobicContact CG1-CD1 3.9Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 3.08Å; M386-L389 PolarHBondContact O-N 2.62Å; L389-S445 WeakPolarHBondContact CD1-O 3.44Å; L389-L448 HydrophobicContact CB-CB 4.21Å; L389-F449 HydrophobicContact CD1-CB 4.09Å; L389-F449 HydrophobicContact CD2-CB 4.03Å; L389-F449 HydrophobicContact CD2-CD2 3.92Å; L389-F449 HydrophobicContact CD2-CG 4.49Å; L389-I499 HydrophobicContact CD2-CD1 3.85Å; L389-I499 HydrophobicContact CD2-CG1 4.09Å; L389-I499 HydrophobicContact CG-CD1 4.05Å; L389-I499 HydrophobicContact CG-CG1 4.41Å
390	S	88.6	Confident	86.7	Confident	9 Å²	9	42.4 Å²	42.4	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-84.9	-20.4	-176.6	56	0	0	0	0	114.8	S155 Q382 M386 G392 I393 R394	S155-S390 VanDerWaalsContact O-CB 3.28Å; S155-S390 WeakPolarHBondContact O-CB 3.36Å; Q382-S390 PolarHBondContact NE2-OG 3.36Å; M386-S390 VanDerWaalsContact O-CB 3.25Å; M386-S390 WeakPolarHBondContact O-CB 3.44Å; M386-S390 PolarHBondContact O-N 3.1Å; M386-S390 PolarHBondContact O-OG 2.94Å; S390-G392 VanDerWaalsContact C-N 3.34Å; S390-G392 PolarHBondContact O-N 3.18Å; S390-I393 PolarHBondContact O-N 2.89Å; S390-R394 PolarHBondContact O-N 3.45Å
391	G	80.4	Confident	86.5	Confident	47 Å²	47	44 Å²	44	49%	0.485	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-41.1	-174.7	0	0	0	0	0	114.1	T395	G391-T395 PolarHBondContact O-OG1 3.49Å
392	G	79.8	Confident	86.2	Confident	20 Å²	20	49.7 Å²	49.7	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-73.6	-38.7	177	0	0	0	0	0	113	S390 R394 T395 A396 E452	S390-G392 VanDerWaalsContact C-N 3.34Å; S390-G392 PolarHBondContact O-N 3.18Å; G392-R394 PolarHBondContact O-N 3.24Å; G392-T395 WeakPolarHBondContact O-CB 3.49Å; G392-T395 PolarHBondContact O-N 3.11Å; G392-T395 VanDerWaalsContact O-N 3.13Å; G392-A396 WeakPolarHBondContact O-CB 3.47Å; G392-A396 PolarHBondContact O-N 2.96Å; G392-E452 WeakPolarHBondContact CA-OE1 3.27Å; G392-E452 WeakPolarHBondContact CA-OE2 3.3Å
393	I	87.3	Confident	86	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-56.7	-47.1	-177.6	-60.7	-65.2	0	0	0	112.9	S390 T395 A396 L397 V427 L431 L448 A451 E452	S390-I393 PolarHBondContact O-N 2.89Å; I393-T395 VanDerWaalsContact C-N 3.32Å; I393-T395 PolarHBondContact O-N 3.49Å; I393-A396 PolarHBondContact O-N 3.36Å; I393-L397 HydrophobicContact CG2-CD1 4Å; I393-L397 WeakPolarHBondContact O-CG 3.49Å; I393-L397 PolarHBondContact O-N 2.74Å; I393-V427 HydrophobicContact CD1-CG1 4.14Å; I393-V427 HydrophobicContact CD1-CG2 4.29Å; I393-V427 HydrophobicContact CG2-CG1 3.91Å; I393-L431 HydrophobicContact CG2-CD1 4.49Å; I393-L448 HydrophobicContact CD1-CD2 4.42Å; I393-L448 HydrophobicContact CG1-CD2 4.08Å; I393-A451 HydrophobicContact CD1-CB 3.95Å; I393-E452 PolarHBondContact N-OE2 2.88Å
394	R	81.8	Confident	85.8	Confident	111 Å²	111	51.1 Å²	51.1	42%	0.419	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-42.1	178.9	-173.6	179.2	-177.8	-166.9	1.4	111.6	S390 G392 L397 A398	S390-R394 PolarHBondContact O-N 3.45Å; G392-R394 PolarHBondContact O-N 3.24Å; R394-L397 PolarHBondContact O-N 2.88Å; R394-A398 WeakPolarHBondContact O-CB 3.21Å; R394-A398 PolarHBondContact O-N 3.09Å
395	T	80.6	Confident	85.6	Confident	75 Å²	75	49 Å²	49	46%	0.46	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-45.3	179.1	-52.3	0	0	0	0	110.7	G391 G392 I393 L397 A398 Q399	G391-T395 PolarHBondContact O-OG1 3.49Å; G392-T395 WeakPolarHBondContact O-CB 3.49Å; G392-T395 PolarHBondContact O-N 3.11Å; G392-T395 VanDerWaalsContact O-N 3.13Å; I393-T395 VanDerWaalsContact C-N 3.32Å; I393-T395 PolarHBondContact O-N 3.49Å; T395-L397 PolarHBondContact O-N 3.17Å; T395-A398 PolarHBondContact O-N 3.08Å; T395-Q399 WeakPolarHBondContact O-CB 3.49Å; T395-Q399 VanDerWaalsContact O-CG 3.29Å; T395-Q399 WeakPolarHBondContact O-CG 3.48Å; T395-Q399 PolarHBondContact O-N 3.02Å
396	A	82.6	Confident	85.3	Confident	11 Å²	11	55.7 Å²	55.7	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-43.3	177.7	0	0	0	0	0	112.1	G392 I393 Y400	G392-A396 WeakPolarHBondContact O-CB 3.47Å; G392-A396 PolarHBondContact O-N 2.96Å; I393-A396 PolarHBondContact O-N 3.36Å; A396-Y400 WeakPolarHBondContact O-CB 3.39Å; A396-Y400 PolarHBondContact O-N 3.3Å
397	L	88.3	Confident	84.9	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-70.2	-37.6	178.8	-72.5	170	0	0	0	113.3	M156 P370 I393 R394 T395 Y400 R401 V427 T428 L431	M156-L397 HydrophobicContact SD-CD1 3.42Å; M156-L397 WeakPolarHBondContact SD-CD1 3.39Å; P370-L397 HydrophobicContact CB-CB 4.41Å; P370-L397 HydrophobicContact CG-CB 4.29Å; I393-L397 HydrophobicContact CG2-CD1 4Å; I393-L397 WeakPolarHBondContact O-CG 3.49Å; I393-L397 PolarHBondContact O-N 2.74Å; R394-L397 PolarHBondContact O-N 2.88Å; T395-L397 PolarHBondContact O-N 3.17Å; L397-Y400 PolarHBondContact O-N 3.35Å; L397-R401 WeakPolarHBondContact O-CG 3.49Å; L397-R401 PolarHBondContact O-N 3.46Å; L397-V427 HydrophobicContact CD1-CG1 4.09Å; L397-V427 HydrophobicContact CD2-CB 4.27Å; L397-V427 HydrophobicContact CD2-CG1 3.8Å; L397-V427 HydrophobicContact CG-CG1 3.89Å; L397-T428 WeakPolarHBondContact CD2-OG1 3.45Å; L397-L431 HydrophobicContact CD1-CD1 3.47Å; L397-L431 VanDerWaalsContact CD1-CD1 3.47Å
398	A	82.6	Confident	84.5	Confident	52 Å²	52	58.8 Å²	58.8	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-49.9	175.2	0	0	0	0	0	110.7	R394 T395 Y400 R401 E402	R394-A398 WeakPolarHBondContact O-CB 3.21Å; R394-A398 PolarHBondContact O-N 3.09Å; T395-A398 PolarHBondContact O-N 3.08Å; A398-Y400 VanDerWaalsContact C-N 3.35Å; A398-Y400 PolarHBondContact O-N 2.75Å; A398-R401 PolarHBondContact O-N 2.99Å; A398-E402 PolarHBondContact O-N 3.33Å; A398-E402 VanDerWaalsContact O-N 3.16Å
399	Q	82.5	Confident	84.2	Confident	81 Å²	81	61.4 Å²	61.4	38%	0.379	33%	0.325	S	S	.	.	H	α-helix	trans	-63.5	-40.5	177.2	-68.8	169.8	-18.8	0	0	111.9	T395 R401 E402 L403 Q420	T395-Q399 WeakPolarHBondContact O-CB 3.49Å; T395-Q399 VanDerWaalsContact O-CG 3.29Å; T395-Q399 WeakPolarHBondContact O-CG 3.48Å; T395-Q399 PolarHBondContact O-N 3.02Å; Q399-R401 PolarHBondContact O-N 3.39Å; Q399-E402 PolarHBondContact O-N 3.48Å; Q399-L403 WeakPolarHBondContact O-CB 3.49Å; Q399-L403 VanDerWaalsContact O-CG 3.26Å; Q399-L403 WeakPolarHBondContact O-CG 2.88Å; Q399-L403 PolarHBondContact O-N 2.88Å; Q399-Q420 VanDerWaalsContact CB-NE2 3.27Å
400	Y	89	Confident	83.6	Confident	47 Å²	47	63.6 Å²	63.6	18%	0.184	34%	0.343	C	S	.	.	H	α-helix	trans	-57.4	-46.5	175.2	171.3	-106.7	0	0	0	111.9	A396 L397 A398 E402 L403 A404 L421 Q425	A396-Y400 WeakPolarHBondContact O-CB 3.39Å; A396-Y400 PolarHBondContact O-N 3.3Å; L397-Y400 PolarHBondContact O-N 3.35Å; A398-Y400 VanDerWaalsContact C-N 3.35Å; A398-Y400 PolarHBondContact O-N 2.75Å; Y400-E402 PolarHBondContact O-N 3.35Å; Y400-L403 PolarHBondContact O-N 3.18Å; Y400-A404 WeakPolarHBondContact O-CB 3.36Å; Y400-A404 PolarHBondContact O-N 3.32Å; Y400-L421 HydrophobicContact CD2-CD2 3.9Å; Y400-L421 WeakPolarHBondContact CD2-O 3.3Å; Y400-L421 HydrophobicContact CE2-CD2 4.04Å; Y400-L421 WeakPolarHBondContact CE2-O 3.28Å; Y400-Q425 HydrophobicContact CE2-CB 3.95Å
401	R	84.5	Confident	83	Confident	88 Å²	88	68.5 Å²	68.5	33%	0.332	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-39.7	179.8	-73.8	-168.1	79	160.4	5.7	112.4	E356 N369 L397 A398 Q399 A405	E356-R401 IonicContact OE2-NH1 2.86Å; E356-R401 IonicContact OE2-NH2 2.96Å; E356-R401 PolarHBondContact OE2-NH2 2.99Å; N369-R401 PolarHBondContact ND2-NH1 3.11Å; N369-R401 PolarHBondContact OD1-NH1 3.25Å; N369-R401 VanDerWaalsContact OD1-NH1 3.12Å; L397-R401 WeakPolarHBondContact O-CG 3.49Å; L397-R401 PolarHBondContact O-N 3.46Å; A398-R401 PolarHBondContact O-N 2.99Å; Q399-R401 PolarHBondContact O-N 3.39Å; R401-A405 PolarHBondContact O-N 3.02Å
402	E	84.1	Confident	83.1	Confident	123 Å²	123	73.1 Å²	73.1	58%	0.575	39%	0.391	S	S	*	.	H	α-helix	trans	-63.4	-52.4	176	-172.2	173.7	-170.4	0	0	110.6	A398 Q399 Y400 A404 A405 F406	A398-E402 PolarHBondContact O-N 3.33Å; A398-E402 VanDerWaalsContact O-N 3.16Å; Q399-E402 PolarHBondContact O-N 3.48Å; Y400-E402 PolarHBondContact O-N 3.35Å; E402-A404 VanDerWaalsContact C-N 3.35Å; E402-A404 PolarHBondContact O-N 2.66Å; E402-A405 WeakPolarHBondContact O-CB 3.38Å; E402-A405 PolarHBondContact O-N 3.5Å; E402-A405 VanDerWaalsContact O-N 3.15Å; E402-F406 HydrophobicContact CG-CD2 4.13Å; E402-F406 HydrophobicContact CG-CE2 3.81Å; E402-F406 WeakPolarHBondContact O-CD2 3.4Å; E402-F406 PolarHBondContact O-N 3.04Å
403	L	87.2	Confident	83.2	Confident	39 Å²	39	74.6 Å²	74.6	20%	0.204	39%	0.394	C	S	.	.	H	α-helix	trans	-64.4	-35.7	179.1	-67.7	171.9	0	0	0	113	Q399 Y400 A405 F406 S407 T417 Q420 L421	Q399-L403 WeakPolarHBondContact O-CB 3.49Å; Q399-L403 VanDerWaalsContact O-CG 3.26Å; Q399-L403 WeakPolarHBondContact O-CG 2.88Å; Q399-L403 PolarHBondContact O-N 2.88Å; Y400-L403 PolarHBondContact O-N 3.18Å; L403-A405 VanDerWaalsContact C-N 3.25Å; L403-A405 PolarHBondContact O-N 2.82Å; L403-F406 PolarHBondContact O-N 3.43Å; L403-S407 VanDerWaalsContact O-CB 3.26Å; L403-S407 WeakPolarHBondContact O-CB 3.4Å; L403-S407 PolarHBondContact O-N 2.92Å; L403-S407 PolarHBondContact O-OG 3.41Å; L403-T417 HydrophobicContact CD2-CG2 4.23Å; L403-Q420 HydrophobicContact CD1-CB 4.17Å; L403-Q420 HydrophobicContact CD1-CG 3.76Å; L403-Q420 VanDerWaalsContact CD1-OE1 3.29Å; L403-L421 HydrophobicContact CB-CD2 3.73Å; L403-L421 HydrophobicContact CB-CG 4.31Å
404	A	85.7	Confident	83.3	Confident	24 Å²	24	78.8 Å²	78.8	20%	0.198	42%	0.416	C	S	.	.	H	α-helix	trans	-65.4	-29.1	176.7	0	0	0	0	0	112.2	Y400 E402 S407 Q408 L421	Y400-A404 WeakPolarHBondContact O-CB 3.36Å; Y400-A404 PolarHBondContact O-N 3.32Å; E402-A404 VanDerWaalsContact C-N 3.35Å; E402-A404 PolarHBondContact O-N 2.66Å; A404-S407 WeakPolarHBondContact CA-OG 3.34Å; A404-S407 PolarHBondContact O-OG 3.22Å; A404-Q408 WeakPolarHBondContact O-CG 3.39Å; A404-Q408 PolarHBondContact O-NE2 2.71Å; A404-L421 HydrophobicContact CB-CD2 4.3Å
405	A	83.7	Confident	83.7	Confident	51 Å²	51	78.4 Å²	78.4	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-74	-40.7	173.6	0	0	0	0	0	111.8	R401 E402 L403	R401-A405 PolarHBondContact O-N 3.02Å; E402-A405 WeakPolarHBondContact O-CB 3.38Å; E402-A405 PolarHBondContact O-N 3.5Å; E402-A405 VanDerWaalsContact O-N 3.15Å; L403-A405 VanDerWaalsContact C-N 3.25Å; L403-A405 PolarHBondContact O-N 2.82Å
406	F	83.3	Confident	84.1	Confident	140 Å²	140	77.8 Å²	77.8	61%	0.614	43%	0.425	S	S	*	.	H	α-helix	trans	-74	-40	179	-74.8	-73.2	0	0	0	113.5	E402 L403 Q408 F409	E402-F406 HydrophobicContact CG-CD2 4.13Å; E402-F406 HydrophobicContact CG-CE2 3.81Å; E402-F406 WeakPolarHBondContact O-CD2 3.4Å; E402-F406 PolarHBondContact O-N 3.04Å; L403-F406 PolarHBondContact O-N 3.43Å; F406-Q408 PolarHBondContact O-N 3.04Å; F406-F409 PolarHBondContact O-N 3.37Å; F406-F409 VanDerWaalsContact O-N 3.13Å
407	S	83.1	Confident	84.3	Confident	28 Å²	28	78.4 Å²	78.4	20%	0.196	43%	0.428	C	S	.	.	H	α-helix	trans	-66.2	-16.8	-177.2	52.5	0	0	0	0	114.1	L403 A404 F409 A410	L403-S407 VanDerWaalsContact O-CB 3.26Å; L403-S407 WeakPolarHBondContact O-CB 3.4Å; L403-S407 PolarHBondContact O-N 2.92Å; L403-S407 PolarHBondContact O-OG 3.41Å; A404-S407 WeakPolarHBondContact CA-OG 3.34Å; A404-S407 PolarHBondContact O-OG 3.22Å; S407-F409 PolarHBondContact O-N 3.35Å; S407-A410 PolarHBondContact O-N 3.48Å
408	Q	81.6	Confident	84.3	Confident	153 Å²	153	84.6 Å²	84.6	72%	0.715	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.7	172.3	-73.2	175.1	24.1	0	0	113.3	A404 F406	A404-Q408 WeakPolarHBondContact O-CG 3.39Å; A404-Q408 PolarHBondContact O-NE2 2.71Å; F406-Q408 PolarHBondContact O-N 3.04Å
409	F	81.3	Confident	84.6	Confident	179 Å²	179	89.6 Å²	89.6	79%	0.785	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-5	-177.3	-55.8	-75.8	0	0	0	114	F406 S407	F406-F409 PolarHBondContact O-N 3.37Å; F406-F409 VanDerWaalsContact O-N 3.13Å; S407-F409 PolarHBondContact O-N 3.35Å
410	A	78.2	Confident	84.9	Confident	49 Å²	49	88.7 Å²	88.7	41%	0.405	46%	0.458	S	S	.	.			trans	-107.4	131.5	-176.3	0	0	0	0	0	111.1	S407 L413	S407-A410 PolarHBondContact O-N 3.48Å; A410-L413 HydrophobicContact CB-CD2 4.07Å
411	S	76.5	Confident	85	Confident	112 Å²	112	87.5 Å²	87.5	78%	0.783	46%	0.455	S	S	*	.	S	Bend	trans	-78.1	-37.8	174.5	53.3	0	0	0	0	112.4
412	D	80.5	Confident	85.3	Confident	144 Å²	144	86.3 Å²	86.3	77%	0.77	46%	0.456	S	S	*	.			trans	-118.1	114.5	-174.7	-62.1	-56.9	0	0	0	109.9
413	L	83.5	Confident	85.7	Confident	51 Å²	51	83.1 Å²	83.1	27%	0.267	44%	0.441	S	S	.	.			trans	-103.2	134.6	172.9	-60.2	170.6	0	0	0	108.7	A410 T417 R418 L421	A410-L413 HydrophobicContact CB-CD2 4.07Å; L413-T417 HydrophobicContact CB-CG2 4.42Å; L413-T417 HydrophobicContact CD2-CG2 4Å; L413-R418 PolarHBondContact O-NH2 3.38Å; L413-R418 VanDerWaalsContact O-NH2 3.13Å; L413-L421 HydrophobicContact CD1-CD1 3.65Å
414	D	88.9	Confident	85.9	Confident	90 Å²	90	81.3 Å²	81.3	48%	0.481	43%	0.431	S	S	.	.			trans	-64.1	158.9	172	69.8	-83.6	0	0	0	111.3	A416 T417 R418	D414-A416 PolarHBondContact O-N 2.9Å; D414-A416 WeakPolarHBondContact OD2-CA 3.31Å; D414-A416 VanDerWaalsContact OD2-CB 3.29Å; D414-A416 WeakPolarHBondContact OD2-CB 3.47Å; D414-A416 PolarHBondContact OD2-N 2.87Å; D414-T417 PolarHBondContact O-N 3.49Å; D414-T417 VanDerWaalsContact OD1-CB 3.26Å; D414-T417 WeakPolarHBondContact OD1-CB 3.45Å; D414-T417 PolarHBondContact OD1-OG1 2.71Å; D414-T417 PolarHBondContact OD2-N 3.21Å; D414-T417 PolarHBondContact OD2-OG1 2.98Å; D414-R418 PolarHBondContact O-N 3.4Å
415	D	89.5	Confident	86.2	Confident	102 Å²	102	84.1 Å²	84.1	55%	0.545	44%	0.44	S	S	.	.	H	α-helix	trans	-63.4	-27.9	-174.1	-73	-25.4	0	0	0	113.6	R418 K419	D415-R418 IonicContact OD1-CZ 3.63Å; D415-R418 IonicContact OD1-NH1 2.8Å; D415-R418 PolarHBondContact OD1-NH1 3.36Å; D415-R418 IonicContact OD1-NH2 3.9Å; D415-K419 WeakPolarHBondContact O-CB 3.33Å; D415-K419 VanDerWaalsContact O-CG 3.27Å; D415-K419 WeakPolarHBondContact O-CG 3.26Å; D415-K419 PolarHBondContact O-N 2.92Å; D415-K419 VanDerWaalsContact O-N 3.09Å
416	A	89.4	Confident	86.7	Confident	62 Å²	62	82.2 Å²	82.2	51%	0.512	42%	0.422	S	S	.	.	H	α-helix	trans	-72.5	-46.7	177.1	0	0	0	0	0	110.2	D414 R418 K419 Q420	D414-A416 PolarHBondContact O-N 2.9Å; D414-A416 WeakPolarHBondContact OD2-CA 3.31Å; D414-A416 VanDerWaalsContact OD2-CB 3.29Å; D414-A416 WeakPolarHBondContact OD2-CB 3.47Å; D414-A416 PolarHBondContact OD2-N 2.87Å; A416-R418 VanDerWaalsContact C-N 3.32Å; A416-R418 PolarHBondContact O-N 3.46Å; A416-K419 PolarHBondContact O-N 3.07Å; A416-Q420 WeakPolarHBondContact O-CB 3.23Å; A416-Q420 PolarHBondContact O-N 3.09Å
417	T	87.6	Confident	87.2	Confident	24 Å²	24	75.6 Å²	75.6	15%	0.147	39%	0.393	C	S	.	.	H	α-helix	trans	-59.6	-41.8	174.1	-60.3	0	0	0	0	111.6	L403 L413 D414 Q420 L421	L403-T417 HydrophobicContact CD2-CG2 4.23Å; L413-T417 HydrophobicContact CB-CG2 4.42Å; L413-T417 HydrophobicContact CD2-CG2 4Å; D414-T417 PolarHBondContact O-N 3.49Å; D414-T417 VanDerWaalsContact OD1-CB 3.26Å; D414-T417 WeakPolarHBondContact OD1-CB 3.45Å; D414-T417 PolarHBondContact OD1-OG1 2.71Å; D414-T417 PolarHBondContact OD2-N 3.21Å; D414-T417 PolarHBondContact OD2-OG1 2.98Å; T417-Q420 PolarHBondContact O-N 3.5Å; T417-L421 HydrophobicContact CG2-CD1 4.09Å; T417-L421 HydrophobicContact CG2-CG 4.47Å; T417-L421 WeakPolarHBondContact O-CB 3.38Å; T417-L421 WeakPolarHBondContact O-CG 3.41Å; T417-L421 PolarHBondContact O-N 3.23Å
418	R	87.6	Confident	87.6	Confident	138 Å²	138	75.4 Å²	75.4	52%	0.521	39%	0.391	S	S	.	.	H	α-helix	trans	-61.4	-45.7	176.7	-167.7	-176.2	-60	128.5	9.5	112.1	L413 D414 D415 A416 Q420 L421 D422	L413-R418 PolarHBondContact O-NH2 3.38Å; L413-R418 VanDerWaalsContact O-NH2 3.13Å; D414-R418 PolarHBondContact O-N 3.4Å; D415-R418 IonicContact OD1-CZ 3.63Å; D415-R418 IonicContact OD1-NH1 2.8Å; D415-R418 PolarHBondContact OD1-NH1 3.36Å; D415-R418 IonicContact OD1-NH2 3.9Å; A416-R418 VanDerWaalsContact C-N 3.32Å; A416-R418 PolarHBondContact O-N 3.46Å; R418-Q420 VanDerWaalsContact C-N 3.32Å; R418-Q420 PolarHBondContact O-N 3.38Å; R418-L421 PolarHBondContact O-N 2.91Å; R418-D422 WeakPolarHBondContact O-CB 3.5Å; R418-D422 PolarHBondContact O-N 2.9Å
419	K	89.7	Confident	88.2	Confident	157 Å²	157	71 Å²	71	68%	0.683	37%	0.37	S	S	*	.	H	α-helix	trans	-63.6	-38.4	177	-76	173.2	-178.4	175.5	0	112.2	D415 A416 H423	D415-K419 WeakPolarHBondContact O-CB 3.33Å; D415-K419 VanDerWaalsContact O-CG 3.27Å; D415-K419 WeakPolarHBondContact O-CG 3.26Å; D415-K419 PolarHBondContact O-N 2.92Å; D415-K419 VanDerWaalsContact O-N 3.09Å; A416-K419 PolarHBondContact O-N 3.07Å; K419-H423 VanDerWaalsContact O-CB 3.28Å; K419-H423 WeakPolarHBondContact O-CB 3.44Å; K419-H423 PolarHBondContact O-N 2.78Å
420	Q	88.5	Confident	88.8	Confident	61 Å²	61	62.6 Å²	62.6	29%	0.285	33%	0.334	S	S	.	.	H	α-helix	trans	-69.8	-39.2	179.2	-168.8	170.7	7.7	0	0	112.1	Q399 L403 A416 T417 R418 G424	Q399-Q420 VanDerWaalsContact CB-NE2 3.27Å; L403-Q420 HydrophobicContact CD1-CB 4.17Å; L403-Q420 HydrophobicContact CD1-CG 3.76Å; L403-Q420 VanDerWaalsContact CD1-OE1 3.29Å; A416-Q420 WeakPolarHBondContact O-CB 3.23Å; A416-Q420 PolarHBondContact O-N 3.09Å; T417-Q420 PolarHBondContact O-N 3.5Å; R418-Q420 VanDerWaalsContact C-N 3.32Å; R418-Q420 PolarHBondContact O-N 3.38Å; Q420-G424 PolarHBondContact O-N 2.88Å
421	L	90.3	Very high	89.6	Confident	22 Å²	22	61 Å²	61	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-47.5	173.1	-75.1	171.4	0	0	0	111.9	Y400 L403 A404 L413 T417 R418 H423 G424 Q425	Y400-L421 HydrophobicContact CD2-CD2 3.9Å; Y400-L421 WeakPolarHBondContact CD2-O 3.3Å; Y400-L421 HydrophobicContact CE2-CD2 4.04Å; Y400-L421 WeakPolarHBondContact CE2-O 3.28Å; L403-L421 HydrophobicContact CB-CD2 3.73Å; L403-L421 HydrophobicContact CB-CG 4.31Å; A404-L421 HydrophobicContact CB-CD2 4.3Å; L413-L421 HydrophobicContact CD1-CD1 3.65Å; T417-L421 HydrophobicContact CG2-CD1 4.09Å; T417-L421 HydrophobicContact CG2-CG 4.47Å; T417-L421 WeakPolarHBondContact O-CB 3.38Å; T417-L421 WeakPolarHBondContact O-CG 3.41Å; T417-L421 PolarHBondContact O-N 3.23Å; R418-L421 PolarHBondContact O-N 2.91Å; L421-H423 VanDerWaalsContact C-N 3.34Å; L421-H423 PolarHBondContact O-N 3.19Å; L421-G424 PolarHBondContact O-N 3.04Å; L421-Q425 WeakPolarHBondContact O-CB 2.96Å; L421-Q425 PolarHBondContact O-N 2.93Å
422	D	91.6	Very high	90.5	Very high	64 Å²	64	58.2 Å²	58.2	34%	0.342	29%	0.292	S	S	.	.	H	α-helix	trans	-58.6	-46.4	176.2	179.8	66.5	0	0	0	111.3	R418 Q425 K426	R418-D422 WeakPolarHBondContact O-CB 3.5Å; R418-D422 PolarHBondContact O-N 2.9Å; D422-Q425 PolarHBondContact O-N 3.32Å; D422-K426 WeakPolarHBondContact O-CB 3.37Å; D422-K426 VanDerWaalsContact O-CG 3.31Å; D422-K426 WeakPolarHBondContact O-CG 3.45Å; D422-K426 PolarHBondContact O-N 2.65Å; D422-K426 VanDerWaalsContact OD1-CE 3.22Å; D422-K426 WeakPolarHBondContact OD1-CE 3.35Å; D422-K426 IonicContact OD1-NZ 3.14Å; D422-K426 WeakPolarHBondContact OD2-CE 3.4Å; D422-K426 IonicContact OD2-NZ 3.96Å; D422-K426 PolarHBondContact OD2-NZ 3.5Å
423	H	91.8	Very high	91.2	Very high	56 Å²	56	52.3 Å²	52.3	26%	0.259	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-49.7	176.3	179.3	64.5	0	0	0	111.8	K419 L421 Q425 K426 V427 A451	K419-H423 VanDerWaalsContact O-CB 3.28Å; K419-H423 WeakPolarHBondContact O-CB 3.44Å; K419-H423 PolarHBondContact O-N 2.78Å; L421-H423 VanDerWaalsContact C-N 3.34Å; L421-H423 PolarHBondContact O-N 3.19Å; H423-Q425 VanDerWaalsContact C-N 3.32Å; H423-Q425 PolarHBondContact O-N 3.31Å; H423-K426 PolarHBondContact O-N 2.87Å; H423-V427 VanDerWaalsContact O-CG2 3.26Å; H423-V427 WeakPolarHBondContact O-CG2 2.77Å; H423-V427 PolarHBondContact O-N 3.44Å; H423-A451 PolarHBondContact CE1-O 3.32Å
424	G	91.7	Very high	91.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-36.4	179.2	0	0	0	0	0	113.9	Q420 L421 T428	Q420-G424 PolarHBondContact O-N 2.88Å; L421-G424 PolarHBondContact O-N 3.04Å; G424-T428 WeakPolarHBondContact O-CB 3.41Å; G424-T428 PolarHBondContact O-N 3.07Å; G424-T428 PolarHBondContact O-OG1 2.66Å
425	Q	92	Very high	92	Very high	83 Å²	83	58.4 Å²	58.4	39%	0.388	28%	0.281	S	S	.	.	H	α-helix	trans	-66.5	-44.2	175.6	-166.1	175.9	7.6	0	0	111.1	Y400 L421 D422 H423 T428 E429 L461	Y400-Q425 HydrophobicContact CE2-CB 3.95Å; L421-Q425 WeakPolarHBondContact O-CB 2.96Å; L421-Q425 PolarHBondContact O-N 2.93Å; D422-Q425 PolarHBondContact O-N 3.32Å; H423-Q425 VanDerWaalsContact C-N 3.32Å; H423-Q425 PolarHBondContact O-N 3.31Å; Q425-T428 PolarHBondContact O-N 2.74Å; Q425-E429 PolarHBondContact O-N 3.11Å; Q425-L461 HydrophobicContact CB-CD1 4.48Å; Q425-L461 HydrophobicContact CG-CD1 3.88Å; Q425-L461 HydrophobicContact CG-CD2 3.81Å
426	K	93.8	Very high	92.2	Very high	11 Å²	11	56.9 Å²	56.9	5%	0.048	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-40.8	175.8	-71.6	172.2	177.8	175.4	0	112.6	D422 H423 T428 E429 L430 L456 A457 V459 L461 I464	D422-K426 WeakPolarHBondContact O-CB 3.37Å; D422-K426 VanDerWaalsContact O-CG 3.31Å; D422-K426 WeakPolarHBondContact O-CG 3.45Å; D422-K426 PolarHBondContact O-N 2.65Å; D422-K426 VanDerWaalsContact OD1-CE 3.22Å; D422-K426 WeakPolarHBondContact OD1-CE 3.35Å; D422-K426 IonicContact OD1-NZ 3.14Å; D422-K426 WeakPolarHBondContact OD2-CE 3.4Å; D422-K426 IonicContact OD2-NZ 3.96Å; D422-K426 PolarHBondContact OD2-NZ 3.5Å; H423-K426 PolarHBondContact O-N 2.87Å; K426-T428 VanDerWaalsContact C-N 3.34Å; K426-E429 PolarHBondContact O-N 2.99Å; K426-L430 VanDerWaalsContact O-CB 3.28Å; K426-L430 WeakPolarHBondContact O-CB 3.39Å; K426-L430 PolarHBondContact O-N 3.44Å; K426-L456 HydrophobicContact CD-CB 4.44Å; K426-L456 WeakPolarHBondContact CD-O 3.29Å; K426-L456 WeakPolarHBondContact CE-O 3.45Å; K426-L456 PolarHBondContact NZ-O 2.62Å; K426-A457 PolarHBondContact NZ-O 3.24Å; K426-V459 WeakPolarHBondContact CE-O 3.2Å; K426-V459 PolarHBondContact NZ-O 2.83Å; K426-L461 HydrophobicContact CG-CD1 4.09Å; K426-I464 HydrophobicContact CB-CD1 4.23Å; K426-I464 HydrophobicContact CG-CD1 4.13Å; K426-I464 HydrophobicContact CG-CG1 4.48Å
427	V	93.3	Very high	92.4	Very high	2 Å²	2	56 Å²	56	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-43.4	173.9	174.2	0	0	0	0	110.4	I393 L397 H423 E429 L430 L431 A451	I393-V427 HydrophobicContact CD1-CG1 4.14Å; I393-V427 HydrophobicContact CD1-CG2 4.29Å; I393-V427 HydrophobicContact CG2-CG1 3.91Å; L397-V427 HydrophobicContact CD1-CG1 4.09Å; L397-V427 HydrophobicContact CD2-CB 4.27Å; L397-V427 HydrophobicContact CD2-CG1 3.8Å; L397-V427 HydrophobicContact CG-CG1 3.89Å; H423-V427 VanDerWaalsContact O-CG2 3.26Å; H423-V427 WeakPolarHBondContact O-CG2 2.77Å; H423-V427 PolarHBondContact O-N 3.44Å; V427-E429 VanDerWaalsContact C-N 3.34Å; V427-E429 PolarHBondContact O-N 3.28Å; V427-L430 PolarHBondContact O-N 3.28Å; V427-L431 HydrophobicContact CG1-CD1 4.38Å; V427-L431 HydrophobicContact CG1-CG 4.46Å; V427-L431 WeakPolarHBondContact O-CG 3.43Å; V427-L431 PolarHBondContact O-N 3.14Å; V427-A451 HydrophobicContact CG2-CB 4.33Å
428	T	93	Very high	92.7	Very high	24 Å²	24	56.6 Å²	56.6	15%	0.147	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-43	176.7	-58	0	0	0	0	111.6	I364 L397 G424 Q425 K426 L431	I364-T428 HydrophobicContact CD1-CG2 3.79Å; I364-T428 HydrophobicContact CG1-CG2 4.18Å; L397-T428 WeakPolarHBondContact CD2-OG1 3.45Å; G424-T428 WeakPolarHBondContact O-CB 3.41Å; G424-T428 PolarHBondContact O-N 3.07Å; G424-T428 PolarHBondContact O-OG1 2.66Å; Q425-T428 PolarHBondContact O-N 2.74Å; K426-T428 VanDerWaalsContact C-N 3.34Å; T428-L431 PolarHBondContact O-N 2.94Å
429	E	94.3	Very high	93	Very high	59 Å²	59	50.7 Å²	50.7	28%	0.276	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-42	176.1	-164.5	62.1	-146.2	0	0	111.7	Q425 K426 V427 L431 K432 L461 I464	Q425-E429 PolarHBondContact O-N 3.11Å; K426-E429 PolarHBondContact O-N 2.99Å; V427-E429 VanDerWaalsContact C-N 3.34Å; V427-E429 PolarHBondContact O-N 3.28Å; E429-L431 VanDerWaalsContact C-N 3.31Å; E429-L431 PolarHBondContact O-N 3.15Å; E429-K432 WeakPolarHBondContact O-CB 3.27Å; E429-K432 PolarHBondContact O-N 3.33Å; E429-K432 WeakPolarHBondContact OE1-CD 3.25Å; E429-K432 IonicContact OE1-NZ 3.52Å; E429-K432 PolarHBondContact OE1-NZ 2.84Å; E429-K432 VanDerWaalsContact OE2-CE 3.3Å; E429-K432 WeakPolarHBondContact OE2-CE 3.44Å; E429-K432 IonicContact OE2-NZ 2.78Å; E429-K432 PolarHBondContact OE2-NZ 2.93Å; E429-L461 HydrophobicContact CB-CD1 3.7Å; E429-L461 HydrophobicContact CG-CD1 4.06Å; E429-L461 HydrophobicContact CG-CG 4.43Å; E429-I464 HydrophobicContact CB-CB 4.39Å; E429-I464 HydrophobicContact CB-CG2 4.21Å; E429-I464 HydrophobicContact CG-CB 3.97Å; E429-I464 HydrophobicContact CG-CG1 4.43Å; E429-I464 HydrophobicContact CG-CG2 4.13Å
430	L	94	Very high	93.2	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-31.9	178.4	-167.5	74.6	0	0	0	112.7	K151 K426 V427 K432 V447 A451 L456 I464 E468	K151-L430 WeakPolarHBondContact CE-O 3.34Å; K151-L430 PolarHBondContact NZ-O 3.28Å; K426-L430 VanDerWaalsContact O-CB 3.28Å; K426-L430 WeakPolarHBondContact O-CB 3.39Å; K426-L430 PolarHBondContact O-N 3.44Å; V427-L430 PolarHBondContact O-N 3.28Å; L430-K432 PolarHBondContact O-N 3.46Å; L430-V447 HydrophobicContact CD1-CG1 3.69Å; L430-V447 HydrophobicContact CD2-CG1 3.5Å; L430-V447 VanDerWaalsContact CD2-CG1 3.5Å; L430-V447 HydrophobicContact CG-CG1 3.52Å; L430-A451 HydrophobicContact CD2-CB 3.64Å; L430-L456 HydrophobicContact CD1-CD1 4.3Å; L430-L456 HydrophobicContact CD2-CD1 3.82Å; L430-I464 HydrophobicContact CB-CG2 4.01Å; L430-I464 HydrophobicContact CD1-CG2 3.7Å; L430-E468 HydrophobicContact CD1-CB 4.46Å
431	L	94.3	Very high	93.4	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.073	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.1	178.4	-72.7	-174.9	0	0	0	113.7	K151 A152 M156 I393 L397 V427 T428 E429 L448	K151-L431 HydrophobicContact CB-CD2 3.87Å; A152-L431 HydrophobicContact CB-CB 4.49Å; M156-L431 HydrophobicContact CE-CD1 4.01Å; M156-L431 HydrophobicContact SD-CD1 4.13Å; I393-L431 HydrophobicContact CG2-CD1 4.49Å; L397-L431 HydrophobicContact CD1-CD1 3.47Å; L397-L431 VanDerWaalsContact CD1-CD1 3.47Å; V427-L431 HydrophobicContact CG1-CD1 4.38Å; V427-L431 HydrophobicContact CG1-CG 4.46Å; V427-L431 WeakPolarHBondContact O-CG 3.43Å; V427-L431 PolarHBondContact O-N 3.14Å; T428-L431 PolarHBondContact O-N 2.94Å; E429-L431 VanDerWaalsContact C-N 3.31Å; E429-L431 PolarHBondContact O-N 3.15Å; L431-L448 HydrophobicContact CD2-CD2 4.34Å
432	K	95.5	Very high	93.5	Very high	54 Å²	54	41.8 Å²	41.8	24%	0.235	21%	0.209	C	C	.	.			trans	-64.9	143.6	171.4	-64.1	177.5	-177.6	171.2	0	110.2	K151 R365 E429 L430	K151-K432 PolarHBondContact NZ-O 3.04Å; R365-K432 CarbonylContact O-C 3.56Å; R365-K432 VanDerWaalsContact O-CA 3.29Å; R365-K432 WeakPolarHBondContact O-CA 3.5Å; E429-K432 WeakPolarHBondContact O-CB 3.27Å; E429-K432 PolarHBondContact O-N 3.33Å; E429-K432 WeakPolarHBondContact OE1-CD 3.25Å; E429-K432 IonicContact OE1-NZ 3.52Å; E429-K432 PolarHBondContact OE1-NZ 2.84Å; E429-K432 VanDerWaalsContact OE2-CE 3.3Å; E429-K432 WeakPolarHBondContact OE2-CE 3.44Å; E429-K432 IonicContact OE2-NZ 2.78Å; E429-K432 PolarHBondContact OE2-NZ 2.93Å; L430-K432 PolarHBondContact O-N 3.46Å
433	Q	96	Very high	93.5	Very high	21 Å²	21	41.6 Å²	41.6	10%	0.098	21%	0.206	C	C	.	.			trans	-150.6	142	-179.1	-165.6	171.9	-32.8	0	0	110.4	G149 Y150 K151 R365 A437	G149-Q433 PolarHBondContact O-NE2 3.36Å; G149-Q433 PolarHBondContact O-OE1 2.92Å; Y150-Q433 HydrophobicContact CD1-CB 3.91Å; Y150-Q433 HydrophobicContact CD1-CG 4.07Å; Y150-Q433 HydrophobicContact CE1-CB 3.99Å; Y150-Q433 HydrophobicContact CE1-CG 4.13Å; K151-Q433 VanDerWaalsContact N-OE1 3.12Å; R365-Q433 PolarHBondContact O-N 2.82Å; Q433-A437 PolarHBondContact NE2-O 3.19Å
434	K	95	Very high	93.6	Very high	175 Å²	175	39 Å²	39	76%	0.761	19%	0.194	S	C	*	.			trans	-73.2	147.7	175.7	-63.5	-179.9	-177.1	176.2	0	109.6	A437	K434-A437 HydrophobicContact CB-CB 4.21Å; K434-A437 PolarHBondContact O-N 3.33Å
435	Q	92.7	Very high	93.6	Very high	93 Å²	93	39 Å²	39	44%	0.435	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	147.4	171.2	-168.7	-179.6	-0.5	0	0	110.5	A177 A437	A177-Q435 HydrophobicContact CB-CG 4.12Å; A177-Q435 VanDerWaalsContact CB-NE2 3.3Å; Q435-A437 PolarHBondContact O-N 3.38Å
436	Y	94.2	Very high	93.6	Very high	70 Å²	70	35.6 Å²	35.6	28%	0.275	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	17.5	-179.3	-48.4	-60	0	0	0	114.9	I180 D181 I184 K211 P438	I180-Y436 HydrophobicContact CG2-CE1 4.36Å; D181-Y436 WeakPolarHBondContact OD1-CA 3.32Å; D181-Y436 WeakPolarHBondContact OD1-CD1 3.32Å; D181-Y436 PolarHBondContact OD1-N 3.31Å; D181-Y436 PolarHBondContact OD2-N 3.47Å; I184-Y436 HydrophobicContact CD1-CD1 3.74Å; I184-Y436 HydrophobicContact CD1-CE1 4.19Å; K211-Y436 HydrophobicContact CB-CE1 4.28Å; K211-Y436 HydrophobicContact CD-CE1 4.25Å; K211-Y436 HydrophobicContact CD-CE2 4.02Å; K211-Y436 HydrophobicContact CG-CE1 4.39Å; Y436-P438 WeakPolarHBondContact O-CD 3.36Å
437	A	93.9	Very high	93.5	Very high	45 Å²	45	35.2 Å²	35.2	37%	0.372	18%	0.177	S	C	.	.			trans	-119.2	59.6	176.7	0	0	0	0	0	110.8	Q433 K434 Q435	Q433-A437 PolarHBondContact NE2-O 3.19Å; K434-A437 HydrophobicContact CB-CB 4.21Å; K434-A437 PolarHBondContact O-N 3.33Å; Q435-A437 PolarHBondContact O-N 3.38Å
438	P	94.3	Very high	93.5	Very high	35 Å²	35	35.2 Å²	35.2	23%	0.227	18%	0.177	C	C	.	.			trans	-62.8	141.3	178.9	29	-35.1	0	0	0	110.7	I184 N185 Y436	I184-P438 HydrophobicContact CG2-CG 4.33Å; N185-P438 HydrophobicContact CB-CB 4.11Å; N185-P438 WeakPolarHBondContact OD1-CB 3.48Å; Y436-P438 WeakPolarHBondContact O-CD 3.36Å
439	M	93.9	Very high	93.4	Very high	15 Å²	15	34.2 Å²	34.2	7%	0.074	17%	0.171	C	C	.	.			trans	-106.3	139.1	179.2	-65.9	178.3	65.9	0	0	110.4	G149 K151 Q443 Q444 V447 L472	G149-M439 PolarHBondContact O-N 3.39Å; K151-M439 HydrophobicContact CD-CE 4.21Å; K151-M439 HydrophobicContact CD-SD 3.65Å; K151-M439 HydrophobicContact CG-SD 3.92Å; M439-Q443 HydrophobicContact CB-CB 4.34Å; M439-Q443 HydrophobicContact CE-CB 3.77Å; M439-Q444 HydrophobicContact CB-CG 3.72Å; M439-Q444 PolarHBondContact O-NE2 3.17Å; M439-V447 HydrophobicContact CE-CG2 4.06Å; M439-L472 HydrophobicContact CE-CD1 3.59Å; M439-L472 HydrophobicContact CE-CD2 4.13Å; M439-L472 HydrophobicContact CE-CG 4.48Å
440	S	93.3	Very high	93.2	Very high	34 Å²	34	31.6 Å²	31.6	24%	0.238	16%	0.159	C	C	.	.			trans	-66.3	159.5	173.7	64.9	0	0	0	0	111.9	A442 Q443 Q444	S440-A442 PolarHBondContact O-N 3.09Å; S440-Q443 PolarHBondContact O-N 3.31Å; S440-Q443 VanDerWaalsContact O-N 3.11Å; S440-Q443 VanDerWaalsContact OG-CG 3.27Å; S440-Q443 WeakPolarHBondContact OG-CG 3.43Å; S440-Q443 PolarHBondContact OG-N 3.12Å; S440-Q443 PolarHBondContact OG-OE1 3.31Å; S440-Q444 WeakPolarHBondContact O-CG 3.34Å; S440-Q444 PolarHBondContact O-N 3.17Å
441	V	92.3	Very high	93.1	Very high	18 Å²	18	31.5 Å²	31.5	11%	0.109	16%	0.159	C	C	.	.	H	α-helix	trans	-56.6	-38	178.7	179.3	0	0	0	0	111.4	Q147 T383 I385 S445	Q147-V441 HydrophobicContact CB-CG2 4.49Å; Q147-V441 HydrophobicContact CG-CG2 3.59Å; T383-V441 HydrophobicContact CG2-CG1 4.44Å; I385-V441 HydrophobicContact CG2-CG1 4.44Å; V441-S445 VanDerWaalsContact O-CB 3.22Å; V441-S445 WeakPolarHBondContact O-CB 3.35Å; V441-S445 PolarHBondContact O-N 3.33Å; V441-S445 PolarHBondContact O-OG 3.32Å
442	A	91.8	Very high	92.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-48.8	176.2	0	0	0	0	0	112.7	S440 S445 L446 M483 I486 N487	S440-A442 PolarHBondContact O-N 3.09Å; A442-S445 PolarHBondContact O-N 3.05Å; A442-L446 WeakPolarHBondContact O-CB 3.47Å; A442-L446 PolarHBondContact O-N 3.35Å; A442-M483 HydrophobicContact CB-CB 4.27Å; A442-M483 WeakPolarHBondContact CB-O 3.28Å; A442-M483 HydrophobicContact CB-SD 3.87Å; A442-I486 HydrophobicContact CB-CB 3.76Å; A442-I486 HydrophobicContact CB-CG2 3.75Å; A442-N487 VanDerWaalsContact CB-OD1 3.27Å; A442-N487 WeakPolarHBondContact CB-OD1 3.39Å; A442-N487 PolarHBondContact N-OD1 3.09Å
443	Q	93.3	Very high	92.4	Very high	61 Å²	61	37.6 Å²	37.6	29%	0.285	18%	0.183	S	C	.	.	H	α-helix	trans	-63.7	-45.3	179.1	-67.1	169.2	-46.4	0	0	111.2	M439 S440 S445 L446 V447 L472	M439-Q443 HydrophobicContact CB-CB 4.34Å; M439-Q443 HydrophobicContact CE-CB 3.77Å; S440-Q443 PolarHBondContact O-N 3.31Å; S440-Q443 VanDerWaalsContact O-N 3.11Å; S440-Q443 VanDerWaalsContact OG-CG 3.27Å; S440-Q443 WeakPolarHBondContact OG-CG 3.43Å; S440-Q443 PolarHBondContact OG-N 3.12Å; S440-Q443 PolarHBondContact OG-OE1 3.31Å; Q443-S445 PolarHBondContact O-N 3.4Å; Q443-L446 PolarHBondContact O-N 2.58Å; Q443-V447 WeakPolarHBondContact O-CG2 3.27Å; Q443-V447 PolarHBondContact O-N 3.14Å; Q443-V447 VanDerWaalsContact O-N 3.08Å; Q443-L472 HydrophobicContact CB-CD2 3.68Å; Q443-L472 HydrophobicContact CG-CD2 3.85Å
444	Q	94	Very high	91.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-44.9	176.2	-64	-176.1	35	0	0	111.5	K151 D154 M386 M439 S440 L446 V447 L448	K151-Q444 HydrophobicContact CG-CB 4.46Å; K151-Q444 HydrophobicContact CG-CG 4Å; D154-Q444 PolarHBondContact OD2-NE2 3.26Å; D154-Q444 PolarHBondContact OD2-OE1 3.31Å; M386-Q444 HydrophobicContact CE-CB 3.73Å; M439-Q444 HydrophobicContact CB-CG 3.72Å; M439-Q444 PolarHBondContact O-NE2 3.17Å; S440-Q444 WeakPolarHBondContact O-CG 3.34Å; S440-Q444 PolarHBondContact O-N 3.17Å; Q444-L446 PolarHBondContact O-N 3.25Å; Q444-V447 PolarHBondContact O-N 3.49Å; Q444-L448 WeakPolarHBondContact O-CB 3.37Å; Q444-L448 VanDerWaalsContact O-CG 3.24Å; Q444-L448 WeakPolarHBondContact O-CG 3.36Å; Q444-L448 PolarHBondContact O-N 3.25Å
445	S	91.7	Very high	91.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-43.8	179.3	-60.4	0	0	0	0	111.5	L389 V441 A442 Q443 V447 L448 F449	L389-S445 WeakPolarHBondContact CD1-O 3.44Å; V441-S445 VanDerWaalsContact O-CB 3.22Å; V441-S445 WeakPolarHBondContact O-CB 3.35Å; V441-S445 PolarHBondContact O-N 3.33Å; V441-S445 PolarHBondContact O-OG 3.32Å; A442-S445 PolarHBondContact O-N 3.05Å; Q443-S445 PolarHBondContact O-N 3.4Å; S445-V447 PolarHBondContact O-N 3.41Å; S445-L448 PolarHBondContact O-N 2.93Å; S445-F449 VanDerWaalsContact O-CB 3.24Å; S445-F449 WeakPolarHBondContact O-CB 3.43Å; S445-F449 PolarHBondContact O-N 2.81Å
446	L	91	Very high	91.3	Very high	13 Å²	13	26.9 Å²	26.9	7%	0.068	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-45.4	176.2	173.3	67.5	0	0	0	112.1	A442 Q443 Q444 F449 A450 L471 L472 V475 L502	A442-L446 WeakPolarHBondContact O-CB 3.47Å; A442-L446 PolarHBondContact O-N 3.35Å; Q443-L446 PolarHBondContact O-N 2.58Å; Q444-L446 PolarHBondContact O-N 3.25Å; L446-F449 WeakPolarHBondContact O-CB 3.35Å; L446-F449 PolarHBondContact O-N 3.44Å; L446-A450 PolarHBondContact O-N 3.03Å; L446-L471 HydrophobicContact CD2-CD1 4.29Å; L446-L471 HydrophobicContact CD2-CD2 4.25Å; L446-L471 HydrophobicContact CD2-CG 3.94Å; L446-L471 HydrophobicContact CG-CD2 4.07Å; L446-L471 HydrophobicContact CG-CG 4.3Å; L446-L472 HydrophobicContact CD2-CD2 4.46Å; L446-V475 HydrophobicContact CD2-CB 4.04Å; L446-V475 HydrophobicContact CD2-CG1 3.48Å; L446-V475 VanDerWaalsContact CD2-CG1 3.48Å; L446-V475 HydrophobicContact CD2-CG2 3.51Å; L446-L502 HydrophobicContact CD1-CD2 3.78Å
447	V	92.5	Very high	91.1	Very high	2 Å²	2	27 Å²	27	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-44.1	-179.4	168.8	0	0	0	0	111.2	K151 L430 M439 Q443 Q444 S445 F449 A450 A451 E468 L472	K151-V447 HydrophobicContact CD-CG1 4.04Å; L430-V447 HydrophobicContact CD1-CG1 3.69Å; L430-V447 HydrophobicContact CD2-CG1 3.5Å; L430-V447 VanDerWaalsContact CD2-CG1 3.5Å; L430-V447 HydrophobicContact CG-CG1 3.52Å; M439-V447 HydrophobicContact CE-CG2 4.06Å; Q443-V447 WeakPolarHBondContact O-CG2 3.27Å; Q443-V447 PolarHBondContact O-N 3.14Å; Q443-V447 VanDerWaalsContact O-N 3.08Å; Q444-V447 PolarHBondContact O-N 3.49Å; S445-V447 PolarHBondContact O-N 3.41Å; V447-F449 VanDerWaalsContact C-N 3.33Å; V447-F449 PolarHBondContact O-N 2.86Å; V447-A450 WeakPolarHBondContact O-CB 3.47Å; V447-A450 PolarHBondContact O-N 3.24Å; V447-A451 PolarHBondContact O-N 2.96Å; V447-E468 HydrophobicContact CG2-CG 4.06Å; V447-L472 HydrophobicContact CG2-CD2 4.1Å
448	L	92.5	Very high	90.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-35.8	175.8	-64.9	167.2	0	0	0	111.9	M386 L389 I393 L431 Q444 S445 A450 A451 E452	M386-L448 HydrophobicContact CE-CD1 3.87Å; M386-L448 HydrophobicContact SD-CD1 3.24Å; M386-L448 WeakPolarHBondContact SD-CD1 3.49Å; L389-L448 HydrophobicContact CB-CB 4.21Å; I393-L448 HydrophobicContact CD1-CD2 4.42Å; I393-L448 HydrophobicContact CG1-CD2 4.08Å; L431-L448 HydrophobicContact CD2-CD2 4.34Å; Q444-L448 WeakPolarHBondContact O-CB 3.37Å; Q444-L448 VanDerWaalsContact O-CG 3.24Å; Q444-L448 WeakPolarHBondContact O-CG 3.36Å; Q444-L448 PolarHBondContact O-N 3.25Å; S445-L448 PolarHBondContact O-N 2.93Å; L448-A450 VanDerWaalsContact C-N 3.34Å; L448-A450 PolarHBondContact O-N 3.21Å; L448-A451 PolarHBondContact O-N 3.27Å; L448-E452 VanDerWaalsContact O-CB 3.28Å; L448-E452 WeakPolarHBondContact O-CB 3.29Å; L448-E452 PolarHBondContact O-N 3.4Å
449	F	90.9	Very high	90.6	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.013	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-42.6	173.2	174	-97.4	0	0	0	111.9	L389 S445 L446 V447 A451 R453 Y455 I499 L502 Q503	L389-F449 HydrophobicContact CD1-CB 4.09Å; L389-F449 HydrophobicContact CD2-CB 4.03Å; L389-F449 HydrophobicContact CD2-CD2 3.92Å; L389-F449 HydrophobicContact CD2-CG 4.49Å; S445-F449 VanDerWaalsContact O-CB 3.24Å; S445-F449 WeakPolarHBondContact O-CB 3.43Å; S445-F449 PolarHBondContact O-N 2.81Å; L446-F449 WeakPolarHBondContact O-CB 3.35Å; L446-F449 PolarHBondContact O-N 3.44Å; V447-F449 VanDerWaalsContact C-N 3.33Å; V447-F449 PolarHBondContact O-N 2.86Å; F449-A451 VanDerWaalsContact C-N 3.32Å; F449-A451 PolarHBondContact O-N 3.48Å; F449-R453 HydrophobicContact CD2-CG 3.8Å; F449-R453 HydrophobicContact CE1-CG 4.43Å; F449-R453 HydrophobicContact CE2-CG 3.51Å; F449-R453 HydrophobicContact CG-CG 4.37Å; F449-R453 HydrophobicContact CZ-CG 3.85Å; F449-R453 WeakPolarHBondContact O-CB 3.31Å; F449-R453 WeakPolarHBondContact O-CG 3.47Å; F449-R453 PolarHBondContact O-N 3.12Å; F449-R453 VanDerWaalsContact O-N 3.07Å; F449-Y455 HydrophobicContact CD1-CE2 4.42Å; F449-Y455 HydrophobicContact CE1-CD2 4.19Å; F449-Y455 AromaticContact CE1-CE2 3.64Å; F449-Y455 HydrophobicContact CE1-CE2 3.64Å; F449-Y455 AromaticContact CZ-CE2 3.93Å; F449-Y455 HydrophobicContact CZ-CE2 3.93Å; F449-I499 HydrophobicContact CD2-CG2 4.11Å; F449-I499 HydrophobicContact CE2-CG2 3.83Å; F449-L502 HydrophobicContact CD1-CB 4.19Å; F449-L502 HydrophobicContact CE1-CB 4.06Å; F449-L502 HydrophobicContact CG-CB 4.48Å; F449-L502 HydrophobicContact CG-CD1 4.48Å; F449-L502 HydrophobicContact CZ-CB 4.24Å; F449-Q503 HydrophobicContact CE2-CB 4.41Å; F449-Q503 HydrophobicContact CZ-CB 3.79Å; F449-Q503 HydrophobicContact CZ-CG 4.32Å
450	A	90.3	Very high	90.6	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-42.9	175.6	0	0	0	0	0	112	L446 V447 L448 Y455 F467 L471	L446-A450 PolarHBondContact O-N 3.03Å; V447-A450 WeakPolarHBondContact O-CB 3.47Å; V447-A450 PolarHBondContact O-N 3.24Å; L448-A450 VanDerWaalsContact C-N 3.34Å; L448-A450 PolarHBondContact O-N 3.21Å; A450-Y455 WeakPolarHBondContact O-CB 3.33Å; A450-Y455 PolarHBondContact O-N 2.96Å; A450-F467 HydrophobicContact CB-CE1 4.37Å; A450-L471 HydrophobicContact CB-CD2 4.32Å
451	A	90.8	Very high	90.5	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-54.4	176.9	0	0	0	0	0	112.6	I393 H423 V427 L430 V447 L448 F449 R453 G454 L456	I393-A451 HydrophobicContact CD1-CB 3.95Å; H423-A451 PolarHBondContact CE1-O 3.32Å; V427-A451 HydrophobicContact CG2-CB 4.33Å; L430-A451 HydrophobicContact CD2-CB 3.64Å; V447-A451 PolarHBondContact O-N 2.96Å; L448-A451 PolarHBondContact O-N 3.27Å; F449-A451 VanDerWaalsContact C-N 3.32Å; F449-A451 PolarHBondContact O-N 3.48Å; A451-R453 VanDerWaalsContact C-N 3.3Å; A451-R453 PolarHBondContact O-N 3.36Å; A451-G454 PolarHBondContact O-N 3.1Å; A451-G454 VanDerWaalsContact O-N 3.1Å; A451-L456 HydrophobicContact CB-CD1 3.94Å
452	E	88.7	Confident	90.6	Very high	71 Å²	71	40 Å²	40	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-64.3	-32.8	-173.3	-175.6	64.3	-164.9	0	0	112.5	G392 I393 L448 G454	G392-E452 WeakPolarHBondContact CA-OE1 3.27Å; G392-E452 WeakPolarHBondContact CA-OE2 3.3Å; I393-E452 PolarHBondContact N-OE2 2.88Å; L448-E452 VanDerWaalsContact O-CB 3.28Å; L448-E452 WeakPolarHBondContact O-CB 3.29Å; L448-E452 PolarHBondContact O-N 3.4Å; E452-G454 VanDerWaalsContact C-N 3.29Å; E452-G454 PolarHBondContact O-N 2.94Å
453	R	87.1	Confident	90.7	Very high	126 Å²	126	45.4 Å²	45.4	48%	0.475	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	3.9	178.4	-62.5	-58.9	-174.1	159.6	0.1	114.1	F449 A451 Y455	F449-R453 HydrophobicContact CD2-CG 3.8Å; F449-R453 HydrophobicContact CE1-CG 4.43Å; F449-R453 HydrophobicContact CE2-CG 3.51Å; F449-R453 HydrophobicContact CG-CG 4.37Å; F449-R453 HydrophobicContact CZ-CG 3.85Å; F449-R453 WeakPolarHBondContact O-CB 3.31Å; F449-R453 WeakPolarHBondContact O-CG 3.47Å; F449-R453 PolarHBondContact O-N 3.12Å; F449-R453 VanDerWaalsContact O-N 3.07Å; A451-R453 VanDerWaalsContact C-N 3.3Å; A451-R453 PolarHBondContact O-N 3.36Å; R453-Y455 VanDerWaalsContact C-N 3.31Å; R453-Y455 HydrophobicContact CB-CD2 3.52Å; R453-Y455 HydrophobicContact CB-CE2 3.38Å; R453-Y455 HydrophobicContact CB-CG 4.36Å; R453-Y455 HydrophobicContact CG-CD2 4.48Å; R453-Y455 HydrophobicContact CG-CE2 4.06Å; R453-Y455 PolarHBondContact O-N 2.95Å
454	G	85.3	Confident	90.7	Very high	36 Å²	36	42.6 Å²	42.6	37%	0.371	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	19.5	177.5	0	0	0	0	0	114.2	A451 E452 L456 A457	A451-G454 PolarHBondContact O-N 3.1Å; A451-G454 VanDerWaalsContact O-N 3.1Å; E452-G454 VanDerWaalsContact C-N 3.29Å; E452-G454 PolarHBondContact O-N 2.94Å; G454-L456 PolarHBondContact O-N 2.92Å; G454-A457 VanDerWaalsContact O-CB 3.31Å; G454-A457 WeakPolarHBondContact O-CB 3.48Å; G454-A457 PolarHBondContact O-N 2.96Å
455	Y	87.1	Confident	90.5	Very high	22 Å²	22	44.7 Å²	44.7	9%	0.086	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	2.5	178.2	-64.9	-51.9	0	0	0	113.9	F449 A450 R453 Y506 N507	F449-Y455 HydrophobicContact CD1-CE2 4.42Å; F449-Y455 HydrophobicContact CE1-CD2 4.19Å; F449-Y455 AromaticContact CE1-CE2 3.64Å; F449-Y455 HydrophobicContact CE1-CE2 3.64Å; F449-Y455 AromaticContact CZ-CE2 3.93Å; F449-Y455 HydrophobicContact CZ-CE2 3.93Å; A450-Y455 WeakPolarHBondContact O-CB 3.33Å; A450-Y455 PolarHBondContact O-N 2.96Å; R453-Y455 VanDerWaalsContact C-N 3.31Å; R453-Y455 HydrophobicContact CB-CD2 3.52Å; R453-Y455 HydrophobicContact CB-CE2 3.38Å; R453-Y455 HydrophobicContact CB-CG 4.36Å; R453-Y455 HydrophobicContact CG-CD2 4.48Å; R453-Y455 HydrophobicContact CG-CE2 4.06Å; R453-Y455 PolarHBondContact O-N 2.95Å; Y455-Y506 WeakPolarHBondContact CB-OH 3.15Å; Y455-Y506 AromaticContact CD1-CD1 3.69Å; Y455-Y506 HydrophobicContact CD1-CD1 3.69Å; Y455-Y506 AromaticContact CD1-CE1 3Å; Y455-Y506 HydrophobicContact CD1-CE1 3Å; Y455-Y506 HydrophobicContact CD1-CE2 4.01Å; Y455-Y506 HydrophobicContact CD1-CG 4.43Å; Y455-Y506 AromaticContact CD1-CZ 3.18Å; Y455-Y506 VanDerWaalsContact CD1-OH 3.29Å; Y455-Y506 WeakPolarHBondContact CD1-OH 3.39Å; Y455-Y506 HydrophobicContact CD2-CD1 4.15Å; Y455-Y506 HydrophobicContact CD2-CD2 4.12Å; Y455-Y506 HydrophobicContact CD2-CE1 4.12Å; Y455-Y506 HydrophobicContact CD2-CE2 4.05Å; Y455-Y506 HydrophobicContact CD2-CG 4.16Å; Y455-Y506 AromaticContact CE1-CD1 3.26Å; Y455-Y506 HydrophobicContact CE1-CD1 3.26Å; Y455-Y506 AromaticContact CE1-CE1 3Å; Y455-Y506 HydrophobicContact CE1-CE1 3Å; Y455-Y506 HydrophobicContact CE1-CG 4.19Å; Y455-Y506 AromaticContact CE1-CZ 3.72Å; Y455-Y506 AromaticContact CE2-CD1 3.79Å; Y455-Y506 HydrophobicContact CE2-CD1 3.79Å; Y455-Y506 HydrophobicContact CE2-CD2 4.33Å; Y455-Y506 HydrophobicContact CE2-CE1 4.13Å; Y455-Y506 AromaticContact CE2-CG 3.92Å; Y455-Y506 HydrophobicContact CE2-CG 3.92Å; Y455-Y506 HydrophobicContact CG-CD1 4.09Å; Y455-Y506 HydrophobicContact CG-CD2 4.23Å; Y455-Y506 AromaticContact CG-CE1 3.59Å; Y455-Y506 HydrophobicContact CG-CE1 3.59Å; Y455-Y506 AromaticContact CG-CE2 3.71Å; Y455-Y506 HydrophobicContact CG-CE2 3.71Å; Y455-Y506 HydrophobicContact CG-CG 4.4Å; Y455-Y506 AromaticContact CG-CZ 3.35Å; Y455-Y506 AromaticContact CZ-CD1 3.29Å; Y455-Y506 AromaticContact CZ-CE1 3.58Å; Y455-Y506 AromaticContact CZ-CG 3.9Å; Y455-N507 PolarHBondContact OH-OD1 3.31Å
456	L	89.3	Confident	90.5	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	2.5	172	-56	179.2	0	0	0	112.3	K426 L430 A451 G454 D458 V459 I464 F467	K426-L456 HydrophobicContact CD-CB 4.44Å; K426-L456 WeakPolarHBondContact CD-O 3.29Å; K426-L456 WeakPolarHBondContact CE-O 3.45Å; K426-L456 PolarHBondContact NZ-O 2.62Å; L430-L456 HydrophobicContact CD1-CD1 4.3Å; L430-L456 HydrophobicContact CD2-CD1 3.82Å; A451-L456 HydrophobicContact CB-CD1 3.94Å; G454-L456 PolarHBondContact O-N 2.92Å; L456-D458 VanDerWaalsContact C-N 3.29Å; L456-D458 PolarHBondContact O-N 2.83Å; L456-V459 HydrophobicContact CD2-CG2 4.48Å; L456-V459 PolarHBondContact O-N 3.34Å; L456-I464 HydrophobicContact CB-CD1 4.31Å; L456-I464 HydrophobicContact CD1-CD1 4.36Å; L456-I464 HydrophobicContact CD2-CD1 4.3Å; L456-F467 HydrophobicContact CD2-CD1 3.61Å; L456-F467 HydrophobicContact CD2-CE1 3.33Å; L456-F467 HydrophobicContact CD2-CG 4.41Å; L456-F467 HydrophobicContact CD2-CZ 3.93Å
457	A	89.2	Confident	90.5	Very high	72 Å²	72	49.6 Å²	49.6	60%	0.595	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.4	-174.5	0	0	0	0	0	112.7	K426 G454	K426-A457 PolarHBondContact NZ-O 3.24Å; G454-A457 VanDerWaalsContact O-CB 3.31Å; G454-A457 WeakPolarHBondContact O-CB 3.48Å; G454-A457 PolarHBondContact O-N 2.96Å
458	D	88.4	Confident	90.5	Very high	119 Å²	119	50.8 Å²	50.8	64%	0.636	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-7.8	179.3	56.8	-20.8	0	0	0	114.1	L456	L456-D458 VanDerWaalsContact C-N 3.29Å; L456-D458 PolarHBondContact O-N 2.83Å
459	V	90.1	Very high	90.4	Very high	20 Å²	20	53.5 Å²	53.5	12%	0.121	31%	0.312	C	S	.	.	S	Bend	trans	-88.6	124	-179.9	-174.4	0	0	0	0	110.2	K426 L456 K463 I464 F467	K426-V459 WeakPolarHBondContact CE-O 3.2Å; K426-V459 PolarHBondContact NZ-O 2.83Å; L456-V459 HydrophobicContact CD2-CG2 4.48Å; L456-V459 PolarHBondContact O-N 3.34Å; V459-K463 HydrophobicContact CG1-CB 3.98Å; V459-I464 HydrophobicContact CB-CD1 4.09Å; V459-I464 HydrophobicContact CG1-CD1 3.81Å; V459-I464 HydrophobicContact CG1-CG1 4.47Å; V459-F467 HydrophobicContact CG1-CB 4.11Å; V459-F467 HydrophobicContact CG1-CG 4.43Å; V459-F467 HydrophobicContact CG2-CD2 3.89Å; V459-F467 HydrophobicContact CG2-CE2 4.18Å; V459-F467 HydrophobicContact CG2-CG 4.32Å
460	E	92.4	Very high	90.4	Very high	131 Å²	131	56.3 Å²	56.3	61%	0.612	34%	0.335	S	S	*	.			trans	-61.7	145.7	172.4	-66.5	-178.4	168.5	0	0	111.6	S462 K463 I464	E460-S462 VanDerWaalsContact C-N 3.29Å; E460-S462 PolarHBondContact O-N 2.86Å; E460-K463 HydrophobicContact CB-CB 4.46Å; E460-K463 HydrophobicContact CB-CG 4.17Å; E460-K463 WeakPolarHBondContact O-CA 3.32Å; E460-K463 WeakPolarHBondContact O-CB 3.29Å; E460-K463 PolarHBondContact O-N 3.27Å; E460-I464 PolarHBondContact O-N 2.74Å
461	L	92.2	Very high	90.4	Very high	51 Å²	51	57.3 Å²	57.3	27%	0.267	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-54.4	-42.8	-177.4	-171.6	69.9	0	0	0	113.1	Q425 K426 E429 K463 I464	Q425-L461 HydrophobicContact CB-CD1 4.48Å; Q425-L461 HydrophobicContact CG-CD1 3.88Å; Q425-L461 HydrophobicContact CG-CD2 3.81Å; K426-L461 HydrophobicContact CG-CD1 4.09Å; E429-L461 HydrophobicContact CB-CD1 3.7Å; E429-L461 HydrophobicContact CG-CD1 4.06Å; E429-L461 HydrophobicContact CG-CG 4.43Å; L461-K463 PolarHBondContact O-N 2.97Å; L461-I464 WeakPolarHBondContact O-CB 3.26Å; L461-I464 WeakPolarHBondContact O-CG1 3.27Å; L461-I464 PolarHBondContact O-N 2.82Å
462	S	93.8	Very high	90.4	Very high	99 Å²	99	58.6 Å²	58.6	69%	0.692	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-64.8	-16.7	177.4	41.8	0	0	0	0	114.1	E460	E460-S462 VanDerWaalsContact C-N 3.29Å; E460-S462 PolarHBondContact O-N 2.86Å
463	K	93.7	Very high	90.5	Very high	115 Å²	115	58.1 Å²	58.1	50%	0.5	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-100.4	-5.4	-178.5	-61.9	-64	-174.3	177.2	0	113.2	V459 E460 L461 G465 S466 F467	V459-K463 HydrophobicContact CG1-CB 3.98Å; E460-K463 HydrophobicContact CB-CB 4.46Å; E460-K463 HydrophobicContact CB-CG 4.17Å; E460-K463 WeakPolarHBondContact O-CA 3.32Å; E460-K463 WeakPolarHBondContact O-CB 3.29Å; E460-K463 PolarHBondContact O-N 3.27Å; L461-K463 PolarHBondContact O-N 2.97Å; K463-G465 PolarHBondContact O-N 3.37Å; K463-S466 WeakPolarHBondContact CA-OG 3.26Å; K463-S466 PolarHBondContact O-N 3.14Å; K463-S466 PolarHBondContact O-OG 3.26Å; K463-F467 WeakPolarHBondContact O-CB 3.44Å; K463-F467 PolarHBondContact O-N 3.34Å
464	I	92.9	Very high	90.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-56.7	-47.1	-178.5	-65.3	-68.2	0	0	0	111.9	K426 E429 L430 L456 V459 E460 L461 S466 F467 E468	K426-I464 HydrophobicContact CB-CD1 4.23Å; K426-I464 HydrophobicContact CG-CD1 4.13Å; K426-I464 HydrophobicContact CG-CG1 4.48Å; E429-I464 HydrophobicContact CB-CB 4.39Å; E429-I464 HydrophobicContact CB-CG2 4.21Å; E429-I464 HydrophobicContact CG-CB 3.97Å; E429-I464 HydrophobicContact CG-CG1 4.43Å; E429-I464 HydrophobicContact CG-CG2 4.13Å; L430-I464 HydrophobicContact CB-CG2 4.01Å; L430-I464 HydrophobicContact CD1-CG2 3.7Å; L456-I464 HydrophobicContact CB-CD1 4.31Å; L456-I464 HydrophobicContact CD1-CD1 4.36Å; L456-I464 HydrophobicContact CD2-CD1 4.3Å; V459-I464 HydrophobicContact CB-CD1 4.09Å; V459-I464 HydrophobicContact CG1-CD1 3.81Å; V459-I464 HydrophobicContact CG1-CG1 4.47Å; E460-I464 PolarHBondContact O-N 2.74Å; L461-I464 WeakPolarHBondContact O-CB 3.26Å; L461-I464 WeakPolarHBondContact O-CG1 3.27Å; L461-I464 PolarHBondContact O-N 2.82Å; I464-S466 PolarHBondContact O-N 2.95Å; I464-F467 WeakPolarHBondContact O-CB 3.32Å; I464-F467 PolarHBondContact O-N 2.95Å; I464-E468 PolarHBondContact O-N 2.85Å
465	G	90.9	Very high	90.7	Very high	45 Å²	45	54.3 Å²	54.3	46%	0.464	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-37.5	178.7	0	0	0	0	0	113.6	K463 A469	K463-G465 PolarHBondContact O-N 3.37Å; G465-A469 PolarHBondContact O-N 2.91Å; G465-A469 VanDerWaalsContact O-N 3.16Å
466	S	91	Very high	90.7	Very high	65 Å²	65	58.7 Å²	58.7	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-70.8	-36	174.3	46.2	0	0	0	0	112.5	K463 I464 A469 A470	K463-S466 WeakPolarHBondContact CA-OG 3.26Å; K463-S466 PolarHBondContact O-N 3.14Å; K463-S466 PolarHBondContact O-OG 3.26Å; I464-S466 PolarHBondContact O-N 2.95Å; S466-A469 PolarHBondContact O-N 3.28Å; S466-A470 WeakPolarHBondContact O-CB 3.42Å; S466-A470 PolarHBondContact O-N 3.35Å
467	F	92.6	Very high	90.7	Very high	51 Å²	51	67 Å²	67	22%	0.224	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-47.7	174.7	171.9	-88.8	0	0	0	110.5	A450 L456 V459 K463 I464 A469 A470 L471	A450-F467 HydrophobicContact CB-CE1 4.37Å; L456-F467 HydrophobicContact CD2-CD1 3.61Å; L456-F467 HydrophobicContact CD2-CE1 3.33Å; L456-F467 HydrophobicContact CD2-CG 4.41Å; L456-F467 HydrophobicContact CD2-CZ 3.93Å; V459-F467 HydrophobicContact CG1-CB 4.11Å; V459-F467 HydrophobicContact CG1-CG 4.43Å; V459-F467 HydrophobicContact CG2-CD2 3.89Å; V459-F467 HydrophobicContact CG2-CE2 4.18Å; V459-F467 HydrophobicContact CG2-CG 4.32Å; K463-F467 WeakPolarHBondContact O-CB 3.44Å; K463-F467 PolarHBondContact O-N 3.34Å; I464-F467 WeakPolarHBondContact O-CB 3.32Å; I464-F467 PolarHBondContact O-N 2.95Å; F467-A469 PolarHBondContact O-N 2.87Å; F467-A470 PolarHBondContact O-N 2.73Å; F467-L471 HydrophobicContact CE1-CB 4.46Å; F467-L471 HydrophobicContact CE1-CD2 3.83Å; F467-L471 HydrophobicContact CZ-CD2 4.19Å; F467-L471 VanDerWaalsContact O-CB 3.24Å; F467-L471 WeakPolarHBondContact O-CB 3.49Å; F467-L471 PolarHBondContact O-N 3.3Å
468	E	92	Very high	90.7	Very high	26 Å²	26	67 Å²	67	12%	0.121	38%	0.376	C	S	.	.	H	α-helix	trans	-57.3	-50.9	176.1	175.4	175.6	-139.8	0	0	111.2	K151 L430 V447 I464 A470 L471 L472	K151-E468 WeakPolarHBondContact CD-OE1 3.3Å; K151-E468 WeakPolarHBondContact CE-OE1 3.48Å; K151-E468 IonicContact NZ-OE1 3.01Å; K151-E468 PolarHBondContact NZ-OE1 2.67Å; K151-E468 IonicContact NZ-OE2 2.64Å; K151-E468 PolarHBondContact NZ-OE2 3.17Å; L430-E468 HydrophobicContact CD1-CB 4.46Å; V447-E468 HydrophobicContact CG2-CG 4.06Å; I464-E468 PolarHBondContact O-N 2.85Å; E468-A470 VanDerWaalsContact C-N 3.32Å; E468-A470 PolarHBondContact O-N 2.85Å; E468-L471 PolarHBondContact O-N 2.97Å; E468-L472 HydrophobicContact CG-CD1 3.82Å; E468-L472 HydrophobicContact CG-CG 4.3Å; E468-L472 WeakPolarHBondContact O-CB 3.44Å; E468-L472 VanDerWaalsContact O-CG 3.24Å; E468-L472 WeakPolarHBondContact O-CG 3.41Å; E468-L472 PolarHBondContact O-N 2.9Å
469	A	90.9	Very high	90.7	Very high	60 Å²	60	63.5 Å²	63.5	50%	0.496	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-42.8	-179.6	0	0	0	0	0	112.4	G465 S466 F467 A473	G465-A469 PolarHBondContact O-N 2.91Å; G465-A469 VanDerWaalsContact O-N 3.16Å; S466-A469 PolarHBondContact O-N 3.28Å; F467-A469 PolarHBondContact O-N 2.87Å; A469-A473 WeakPolarHBondContact O-CB 3.39Å; A469-A473 PolarHBondContact O-N 3.49Å; A469-A473 VanDerWaalsContact O-N 3.09Å
470	A	90.5	Very high	90.6	Very high	62 Å²	62	64 Å²	64	51%	0.512	36%	0.362	S	S	.	.	H	α-helix	trans	-67.9	-42.1	177.9	0	0	0	0	0	112.2	S466 F467 E468 A473 Y474	S466-A470 WeakPolarHBondContact O-CB 3.42Å; S466-A470 PolarHBondContact O-N 3.35Å; F467-A470 PolarHBondContact O-N 2.73Å; E468-A470 VanDerWaalsContact C-N 3.32Å; E468-A470 PolarHBondContact O-N 2.85Å; A470-A473 PolarHBondContact O-N 2.9Å; A470-Y474 WeakPolarHBondContact O-CB 3.33Å; A470-Y474 PolarHBondContact O-N 3.04Å
471	L	89.7	Confident	90.4	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.131	36%	0.362	C	S	.	.	H	α-helix	trans	-61.4	-45.6	177.6	177	61.9	0	0	0	111.1	L446 A450 F467 E468 Y474 V475	L446-L471 HydrophobicContact CD2-CD1 4.29Å; L446-L471 HydrophobicContact CD2-CD2 4.25Å; L446-L471 HydrophobicContact CD2-CG 3.94Å; L446-L471 HydrophobicContact CG-CD2 4.07Å; L446-L471 HydrophobicContact CG-CG 4.3Å; A450-L471 HydrophobicContact CB-CD2 4.32Å; F467-L471 HydrophobicContact CE1-CB 4.46Å; F467-L471 HydrophobicContact CE1-CD2 3.83Å; F467-L471 HydrophobicContact CZ-CD2 4.19Å; F467-L471 VanDerWaalsContact O-CB 3.24Å; F467-L471 WeakPolarHBondContact O-CB 3.49Å; F467-L471 PolarHBondContact O-N 3.3Å; E468-L471 PolarHBondContact O-N 2.97Å; L471-Y474 PolarHBondContact O-N 2.62Å; L471-V475 HydrophobicContact CD1-CG1 4.47Å; L471-V475 WeakPolarHBondContact O-CG2 3.29Å; L471-V475 PolarHBondContact O-N 3.15Å
472	L	90.8	Very high	90.2	Very high	28 Å²	28	60.7 Å²	60.7	15%	0.147	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-42.7	178.6	-67	176	0	0	0	111.8	M439 Q443 L446 V447 E468 Y474 V475 D476	M439-L472 HydrophobicContact CE-CD1 3.59Å; M439-L472 HydrophobicContact CE-CD2 4.13Å; M439-L472 HydrophobicContact CE-CG 4.48Å; Q443-L472 HydrophobicContact CB-CD2 3.68Å; Q443-L472 HydrophobicContact CG-CD2 3.85Å; L446-L472 HydrophobicContact CD2-CD2 4.46Å; V447-L472 HydrophobicContact CG2-CD2 4.1Å; E468-L472 HydrophobicContact CG-CD1 3.82Å; E468-L472 HydrophobicContact CG-CG 4.3Å; E468-L472 WeakPolarHBondContact O-CB 3.44Å; E468-L472 VanDerWaalsContact O-CG 3.24Å; E468-L472 WeakPolarHBondContact O-CG 3.41Å; E468-L472 PolarHBondContact O-N 2.9Å; L472-Y474 VanDerWaalsContact C-N 3.34Å; L472-Y474 PolarHBondContact O-N 3.45Å; L472-V475 VanDerWaalsContact O-CG2 3.28Å; L472-V475 WeakPolarHBondContact O-CG2 3.35Å; L472-D476 WeakPolarHBondContact O-CB 3.29Å; L472-D476 PolarHBondContact O-N 2.79Å; L472-D476 VanDerWaalsContact O-N 3.08Å
473	A	90.6	Very high	89.9	Confident	61 Å²	61	56.6 Å²	56.6	50%	0.504	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-37.8	175.9	0	0	0	0	0	112.4	A469 A470 R477	A469-A473 WeakPolarHBondContact O-CB 3.39Å; A469-A473 PolarHBondContact O-N 3.49Å; A469-A473 VanDerWaalsContact O-N 3.09Å; A470-A473 PolarHBondContact O-N 2.9Å; A473-R477 PolarHBondContact O-N 2.97Å; A473-R477 VanDerWaalsContact O-N 3.14Å
474	Y	88.5	Confident	89.6	Confident	75 Å²	75	57 Å²	57	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-49.7	176.6	172.1	-104.2	0	0	0	111.8	A470 L471 L472 D476 R477 D478 H479	A470-Y474 WeakPolarHBondContact O-CB 3.33Å; A470-Y474 PolarHBondContact O-N 3.04Å; L471-Y474 PolarHBondContact O-N 2.62Å; L472-Y474 VanDerWaalsContact C-N 3.34Å; L472-Y474 PolarHBondContact O-N 3.45Å; Y474-D476 VanDerWaalsContact C-N 3.32Å; Y474-D476 PolarHBondContact O-N 2.85Å; Y474-R477 PolarHBondContact O-N 2.9Å; Y474-D478 WeakPolarHBondContact CD2-OD2 3.38Å; Y474-D478 HydrophobicContact CE2-CB 4.25Å; Y474-D478 WeakPolarHBondContact CE2-OD2 3.47Å; Y474-D478 PolarHBondContact O-N 2.88Å; Y474-H479 AromaticContact CE1-CD2 3.78Å; Y474-H479 AromaticContact CE1-NE2 3.91Å; Y474-H479 AromaticContact CZ-NE2 3.92Å; Y474-H479 PolarHBondContact OH-NE2 3.4Å
475	V	87.4	Confident	89.4	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-70.4	-29.8	-179.3	-62.9	0	0	0	0	113.1	L446 L471 L472 R477 H479 A480 M483	L446-V475 HydrophobicContact CD2-CB 4.04Å; L446-V475 HydrophobicContact CD2-CG1 3.48Å; L446-V475 VanDerWaalsContact CD2-CG1 3.48Å; L446-V475 HydrophobicContact CD2-CG2 3.51Å; L471-V475 HydrophobicContact CD1-CG1 4.47Å; L471-V475 WeakPolarHBondContact O-CG2 3.29Å; L471-V475 PolarHBondContact O-N 3.15Å; L472-V475 VanDerWaalsContact O-CG2 3.28Å; L472-V475 WeakPolarHBondContact O-CG2 3.35Å; V475-R477 VanDerWaalsContact C-N 3.34Å; V475-H479 HydrophobicContact CB-CB 4.32Å; V475-H479 CarbonylContact O-C 3.55Å; V475-H479 WeakPolarHBondContact O-CA 3.5Å; V475-H479 PolarHBondContact O-N 3.21Å; V475-A480 PolarHBondContact O-N 3.18Å; V475-M483 HydrophobicContact CB-CE 4.47Å; V475-M483 HydrophobicContact CB-CG 4.37Å; V475-M483 HydrophobicContact CB-SD 4.38Å; V475-M483 HydrophobicContact CG2-CG 4.21Å; V475-M483 HydrophobicContact CG2-SD 3.98Å
476	D	87.8	Confident	89.2	Confident	114 Å²	114	58.2 Å²	58.2	61%	0.61	32%	0.321	S	S	*	.	H	α-helix	trans	-67.9	-36.7	175.5	-166.4	48.7	0	0	0	111.3	L472 Y474 A480	L472-D476 WeakPolarHBondContact O-CB 3.29Å; L472-D476 PolarHBondContact O-N 2.79Å; L472-D476 VanDerWaalsContact O-N 3.08Å; Y474-D476 VanDerWaalsContact C-N 3.32Å; Y474-D476 PolarHBondContact O-N 2.85Å; D476-A480 WeakPolarHBondContact O-CB 3.39Å
477	R	89.7	Confident	88.9	Confident	181 Å²	181	59 Å²	59	68%	0.683	32%	0.32	S	S	*	.	H	α-helix	trans	-76.1	-49	176.8	-171.3	-173.7	65	-150.8	-6	113.1	A473 Y474 V475	A473-R477 PolarHBondContact O-N 2.97Å; A473-R477 VanDerWaalsContact O-N 3.14Å; Y474-R477 PolarHBondContact O-N 2.9Å; V475-R477 VanDerWaalsContact C-N 3.34Å
478	D	88.7	Confident	88.4	Confident	70 Å²	70	62.6 Å²	62.6	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-104.3	-18.5	-164.3	-60.6	-22.4	0	0	0	113	Y474	Y474-D478 WeakPolarHBondContact CD2-OD2 3.38Å; Y474-D478 HydrophobicContact CE2-CB 4.25Å; Y474-D478 WeakPolarHBondContact CE2-OD2 3.47Å; Y474-D478 PolarHBondContact O-N 2.88Å
479	H	87.8	Confident	87	Confident	46 Å²	46	66.7 Å²	66.7	21%	0.213	37%	0.365	C	S	.	.			trans	-135	26.4	-173.2	-62.3	-68.9	0	0	0	113.8	Y474 V475 P481 L482 M483 V505	Y474-H479 AromaticContact CE1-CD2 3.78Å; Y474-H479 AromaticContact CE1-NE2 3.91Å; Y474-H479 AromaticContact CZ-NE2 3.92Å; Y474-H479 PolarHBondContact OH-NE2 3.4Å; V475-H479 HydrophobicContact CB-CB 4.32Å; V475-H479 CarbonylContact O-C 3.55Å; V475-H479 WeakPolarHBondContact O-CA 3.5Å; V475-H479 PolarHBondContact O-N 3.21Å; H479-P481 VanDerWaalsContact C-N 3.29Å; H479-L482 WeakPolarHBondContact O-CB 3.32Å; H479-L482 PolarHBondContact O-N 3.48Å; H479-M483 PolarHBondContact O-N 3.49Å; H479-V505 WeakPolarHBondContact NE2-CG1 3.11Å
480	A	89.3	Confident	85.1	Confident	30 Å²	30	64.8 Å²	64.8	25%	0.248	35%	0.349	C	S	.	.	H	α-helix	trans	-49.5	-40.1	176.8	0	0	0	0	0	114.4	V475 D476 L482 M483 Q484	V475-A480 PolarHBondContact O-N 3.18Å; D476-A480 WeakPolarHBondContact O-CB 3.39Å; A480-L482 VanDerWaalsContact C-N 3.32Å; A480-L482 PolarHBondContact O-N 3.04Å; A480-M483 PolarHBondContact O-N 3.34Å; A480-Q484 WeakPolarHBondContact O-CG 3.27Å; A480-Q484 PolarHBondContact O-N 3.23Å
481	P	88.7	Confident	83.6	Confident	97 Å²	97	61.9 Å²	61.9	63%	0.63	33%	0.325	S	S	*	.	H	α-helix	trans	-59.3	-40	177.7	-25.8	36	0	0	0	113.3	H479 Q484 E485	H479-P481 VanDerWaalsContact C-N 3.29Å; P481-Q484 PolarHBondContact O-N 3.01Å; P481-E485 PolarHBondContact O-N 3.43Å
482	L	86.4	Confident	82.1	Confident	16 Å²	16	63.2 Å²	63.2	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-67.3	-39.5	177.5	179.2	61.8	0	0	0	111.1	H479 A480 Q484 E485 I486 L498 E501 L502 V505	H479-L482 WeakPolarHBondContact O-CB 3.32Å; H479-L482 PolarHBondContact O-N 3.48Å; A480-L482 VanDerWaalsContact C-N 3.32Å; A480-L482 PolarHBondContact O-N 3.04Å; L482-Q484 VanDerWaalsContact C-N 3.34Å; L482-E485 PolarHBondContact O-N 3.5Å; L482-I486 HydrophobicContact CD1-CD1 4.29Å; L482-I486 HydrophobicContact CD1-CG1 4.45Å; L482-I486 HydrophobicContact CG-CD1 4.12Å; L482-I486 VanDerWaalsContact O-CG1 3.3Å; L482-I486 WeakPolarHBondContact O-CG1 3.36Å; L482-I486 PolarHBondContact O-N 3.15Å; L482-L498 HydrophobicContact CD1-CD2 3.97Å; L482-E501 HydrophobicContact CD1-CB 4.29Å; L482-E501 WeakPolarHBondContact CD1-OE2 3.45Å; L482-L502 HydrophobicContact CD2-CD2 3.81Å; L482-L502 HydrophobicContact CD2-CG 4.37Å; L482-V505 HydrophobicContact CD2-CG2 4.3Å
483	M	88	Confident	80.9	Confident	13 Å²	13	66.7 Å²	66.7	6%	0.064	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-39	176.6	-64.3	-60.9	103.4	0	0	111.8	A442 V475 H479 A480 I486 N487 L502	A442-M483 HydrophobicContact CB-CB 4.27Å; A442-M483 WeakPolarHBondContact CB-O 3.28Å; A442-M483 HydrophobicContact CB-SD 3.87Å; V475-M483 HydrophobicContact CB-CE 4.47Å; V475-M483 HydrophobicContact CB-CG 4.37Å; V475-M483 HydrophobicContact CB-SD 4.38Å; V475-M483 HydrophobicContact CG2-CG 4.21Å; V475-M483 HydrophobicContact CG2-SD 3.98Å; H479-M483 PolarHBondContact O-N 3.49Å; A480-M483 PolarHBondContact O-N 3.34Å; M483-I486 HydrophobicContact CE-CD1 3.89Å; M483-I486 PolarHBondContact O-N 2.98Å; M483-N487 PolarHBondContact O-N 2.86Å; M483-N487 PolarHBondContact O-ND2 3.11Å; M483-L502 HydrophobicContact CE-CD2 4.22Å
484	Q	88.6	Confident	80	Confident	123 Å²	123	67.9 Å²	67.9	58%	0.575	35%	0.351	S	S	*	.	H	α-helix	trans	-64.6	-43.3	174.4	-71.4	177.7	0.5	0	0	111.6	A480 P481 L482 I486 N487 Q488	A480-Q484 WeakPolarHBondContact O-CG 3.27Å; A480-Q484 PolarHBondContact O-N 3.23Å; P481-Q484 PolarHBondContact O-N 3.01Å; L482-Q484 VanDerWaalsContact C-N 3.34Å; Q484-I486 PolarHBondContact O-N 3.43Å; Q484-N487 PolarHBondContact O-N 2.95Å; Q484-Q488 WeakPolarHBondContact O-CG 3.48Å; Q484-Q488 PolarHBondContact O-N 3.1Å
485	E	87.1	Confident	79.1	Confident	71 Å²	71	64.3 Å²	64.3	33%	0.332	34%	0.337	S	S	.	.	H	α-helix	trans	-60.7	-44.6	176.7	-171.9	177.2	173.2	0	0	111.7	P481 L482 N487 Q488 A490 L498	P481-E485 PolarHBondContact O-N 3.43Å; L482-E485 PolarHBondContact O-N 3.5Å; E485-N487 VanDerWaalsContact C-N 3.33Å; E485-N487 PolarHBondContact O-N 2.83Å; E485-Q488 PolarHBondContact O-N 3.32Å; E485-A490 HydrophobicContact CG-CB 3.92Å; E485-L498 HydrophobicContact CG-CD2 3.99Å
486	I	86.5	Confident	78.6	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-34.9	176.8	-62	165.6	0	0	0	111.6	I385 A442 L482 M483 Q484 Q488 A491 L498 L502	I385-I486 HydrophobicContact CD1-CD1 4.29Å; I385-I486 HydrophobicContact CD1-CG1 4.28Å; I385-I486 HydrophobicContact CD1-CG2 3.89Å; I385-I486 HydrophobicContact CG2-CG2 4.39Å; A442-I486 HydrophobicContact CB-CB 3.76Å; A442-I486 HydrophobicContact CB-CG2 3.75Å; L482-I486 HydrophobicContact CD1-CD1 4.29Å; L482-I486 HydrophobicContact CD1-CG1 4.45Å; L482-I486 HydrophobicContact CG-CD1 4.12Å; L482-I486 VanDerWaalsContact O-CG1 3.3Å; L482-I486 WeakPolarHBondContact O-CG1 3.36Å; L482-I486 PolarHBondContact O-N 3.15Å; M483-I486 HydrophobicContact CE-CD1 3.89Å; M483-I486 PolarHBondContact O-N 2.98Å; Q484-I486 PolarHBondContact O-N 3.43Å; I486-Q488 VanDerWaalsContact C-N 3.31Å; I486-A491 HydrophobicContact CG2-CB 4.05Å; I486-A491 WeakPolarHBondContact O-CB 3.27Å; I486-L498 HydrophobicContact CG1-CB 4.39Å; I486-L498 HydrophobicContact CG1-CD1 4.06Å; I486-L498 HydrophobicContact CG1-CD2 4Å; I486-L498 HydrophobicContact CG1-CG 4.38Å; I486-L502 HydrophobicContact CD1-CD1 4.3Å; I486-L502 HydrophobicContact CD1-CD2 4.38Å
487	N	86.2	Confident	78	Confident	81 Å²	81	62 Å²	62	43%	0.433	33%	0.334	S	S	.	.	H	α-helix	trans	-74.2	-24.1	177.5	-76.1	-32.7	0	0	0	112.8	A442 M483 Q484 E485	A442-N487 VanDerWaalsContact CB-OD1 3.27Å; A442-N487 WeakPolarHBondContact CB-OD1 3.39Å; A442-N487 PolarHBondContact N-OD1 3.09Å; M483-N487 PolarHBondContact O-N 2.86Å; M483-N487 PolarHBondContact O-ND2 3.11Å; Q484-N487 PolarHBondContact O-N 2.95Å; E485-N487 VanDerWaalsContact C-N 3.33Å; E485-N487 PolarHBondContact O-N 2.83Å
488	Q	82.2	Confident	77.4	Confident	128 Å²	128	53.4 Å²	53.4	60%	0.598	30%	0.302	S	S	*	.	S	Bend	trans	-74.7	168.6	170.3	-70.3	177.1	11.3	0	0	111	Q484 E485 I486 A490 A491	Q484-Q488 WeakPolarHBondContact O-CG 3.48Å; Q484-Q488 PolarHBondContact O-N 3.1Å; E485-Q488 PolarHBondContact O-N 3.32Å; I486-Q488 VanDerWaalsContact C-N 3.31Å; Q488-A490 PolarHBondContact O-N 2.78Å; Q488-A491 PolarHBondContact O-N 3.39Å; Q488-A491 VanDerWaalsContact O-N 3.12Å
489	T	62.4	Low	76.8	Confident	111 Å²	111	50.7 Å²	50.7	68%	0.681	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-13.1	-179.6	33.1	0	0	0	0	114.5	A491 T492 D493	T489-A491 PolarHBondContact O-N 2.76Å; T489-T492 WeakPolarHBondContact O-CA 3.49Å; T489-T492 WeakPolarHBondContact O-CB 3.43Å; T489-T492 PolarHBondContact O-N 3Å; T489-D493 PolarHBondContact O-N 2.81Å
490	A	49.7	Very low	76.4	Confident	20 Å²	20	55.2 Å²	55.2	17%	0.165	31%	0.306	C	S	.	.	H	α-helix	trans	-58.1	-28.8	172.6	0	0	0	0	0	113.5	E485 Q488 T492 D493 N494	E485-A490 HydrophobicContact CG-CB 3.92Å; Q488-A490 PolarHBondContact O-N 2.78Å; A490-T492 VanDerWaalsContact C-N 3.26Å; A490-T492 PolarHBondContact O-N 3.33Å; A490-D493 PolarHBondContact O-N 2.86Å; A490-N494 WeakPolarHBondContact O-CA 3.28Å; A490-N494 WeakPolarHBondContact O-CB 3.43Å; A490-N494 PolarHBondContact O-N 2.83Å
491	A	59.1	Low	75.9	Confident	2 Å²	2	57.2 Å²	57.2	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-29.6	171.5	0	0	0	0	0	113.9	K384 I385 I486 Q488 T489 L498	K384-A491 PolarHBondContact N-O 3.17Å; I385-A491 HydrophobicContact CB-CB 4.42Å; I385-A491 HydrophobicContact CG2-CB 3.64Å; I385-A491 PolarHBondContact N-O 2.91Å; I385-A491 VanDerWaalsContact N-O 3.16Å; I486-A491 HydrophobicContact CG2-CB 4.05Å; I486-A491 WeakPolarHBondContact O-CB 3.27Å; Q488-A491 PolarHBondContact O-N 3.39Å; Q488-A491 VanDerWaalsContact O-N 3.12Å; T489-A491 PolarHBondContact O-N 2.76Å; A491-L498 HydrophobicContact CB-CD1 4.48Å
492	T	58.1	Low	75.4	Confident	53 Å²	53	52.9 Å²	52.9	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-79	-26.7	177.8	-43.4	0	0	0	0	111.1	K384 T489 A490	K384-T492 WeakPolarHBondContact CB-O 3.44Å; K384-T492 WeakPolarHBondContact CD-O 3.33Å; K384-T492 WeakPolarHBondContact CE-O 3.3Å; K384-T492 WeakPolarHBondContact CG-O 3.48Å; K384-T492 PolarHBondContact NZ-O 2.91Å; T489-T492 WeakPolarHBondContact O-CA 3.49Å; T489-T492 WeakPolarHBondContact O-CB 3.43Å; T489-T492 PolarHBondContact O-N 3Å; A490-T492 VanDerWaalsContact C-N 3.26Å; A490-T492 PolarHBondContact O-N 3.33Å
493	D	65.5	Low	75.1	Confident	100 Å²	100	55.4 Å²	55.4	54%	0.535	29%	0.293	S	S	.	.	H	α-helix	trans	-103.7	-42	-178.2	-72.8	-37.3	0	0	0	115.4	K384 T489 A490	K384-D493 PolarHBondContact NZ-O 2.94Å; K384-D493 IonicContact NZ-OD1 2.62Å; K384-D493 PolarHBondContact NZ-OD1 3.41Å; K384-D493 VanDerWaalsContact NZ-OD1 3.09Å; T489-D493 PolarHBondContact O-N 2.81Å; A490-D493 PolarHBondContact O-N 2.86Å
494	N	72.5	Confident	74.7	Confident	86 Å²	86	59.6 Å²	59.6	46%	0.46	32%	0.315	S	S	.	.			trans	-113.3	21	-167.3	-69.1	-19.5	0	0	0	113.4	A490 G496 S497 L498	A490-N494 WeakPolarHBondContact O-CA 3.28Å; A490-N494 WeakPolarHBondContact O-CB 3.43Å; A490-N494 PolarHBondContact O-N 2.83Å; N494-G496 PolarHBondContact O-N 3.33Å; N494-S497 PolarHBondContact O-N 2.92Å; N494-S497 PolarHBondContact O-OG 3.38Å; N494-L498 PolarHBondContact O-N 3.04Å
495	G	70.4	Confident	74.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-51.6	-23.9	-175.7	0	0	0	0	0	115.6	I499	G495-I499 VanDerWaalsContact O-CD1 3.28Å; G495-I499 WeakPolarHBondContact O-CD1 3.45Å; G495-I499 WeakPolarHBondContact O-CG1 3.33Å; G495-I499 PolarHBondContact O-N 2.81Å
496	G	75.2	Confident	73.6	Confident	24 Å²	24	54.1 Å²	54.1	25%	0.247	29%	0.29	C	S	.	.	H	α-helix	trans	-71.8	-39.5	172.8	0	0	0	0	0	115.5	K388 N494 K500	K388-G496 VanDerWaalsContact NZ-CA 3.3Å; N494-G496 PolarHBondContact O-N 3.33Å; G496-K500 PolarHBondContact O-N 3.47Å
497	S	76.3	Confident	73.1	Confident	48 Å²	48	57 Å²	57	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-71.5	-42.3	177.1	56.9	0	0	0	0	110.4	N494 I499 K500 E501	N494-S497 PolarHBondContact O-N 2.92Å; N494-S497 PolarHBondContact O-OG 3.38Å; S497-I499 VanDerWaalsContact C-N 3.28Å; S497-I499 PolarHBondContact O-N 3.15Å; S497-K500 WeakPolarHBondContact O-CA 3.37Å; S497-K500 WeakPolarHBondContact O-CB 3.43Å; S497-K500 PolarHBondContact O-N 3.36Å; S497-E501 PolarHBondContact O-N 3.41Å
498	L	76.1	Confident	72.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.4	-39.2	177.4	-65.9	167.8	0	0	0	112.1	I385 L482 E485 I486 A491 N494 K500 E501 L502	I385-L498 HydrophobicContact CD1-CB 4.13Å; L482-L498 HydrophobicContact CD1-CD2 3.97Å; E485-L498 HydrophobicContact CG-CD2 3.99Å; I486-L498 HydrophobicContact CG1-CB 4.39Å; I486-L498 HydrophobicContact CG1-CD1 4.06Å; I486-L498 HydrophobicContact CG1-CD2 4Å; I486-L498 HydrophobicContact CG1-CG 4.38Å; A491-L498 HydrophobicContact CB-CD1 4.48Å; N494-L498 PolarHBondContact O-N 3.04Å; L498-K500 VanDerWaalsContact C-N 3.33Å; L498-K500 PolarHBondContact O-N 2.77Å; L498-E501 PolarHBondContact O-N 3.36Å; L498-L502 WeakPolarHBondContact O-CG 3.4Å; L498-L502 PolarHBondContact O-N 3.49Å
499	I	76.7	Confident	72.1	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-37.6	173.9	-71	167.5	0	0	0	111.9	I385 K388 L389 F449 G495 S497 Q503	I385-I499 HydrophobicContact CG1-CD1 4.43Å; I385-I499 HydrophobicContact CG1-CG1 4.15Å; K388-I499 HydrophobicContact CB-CD1 3.68Å; K388-I499 HydrophobicContact CD-CD1 3.89Å; K388-I499 HydrophobicContact CG-CD1 4.45Å; L389-I499 HydrophobicContact CD2-CD1 3.85Å; L389-I499 HydrophobicContact CD2-CG1 4.09Å; L389-I499 HydrophobicContact CG-CD1 4.05Å; L389-I499 HydrophobicContact CG-CG1 4.41Å; F449-I499 HydrophobicContact CD2-CG2 4.11Å; F449-I499 HydrophobicContact CE2-CG2 3.83Å; G495-I499 VanDerWaalsContact O-CD1 3.28Å; G495-I499 WeakPolarHBondContact O-CD1 3.45Å; G495-I499 WeakPolarHBondContact O-CG1 3.33Å; G495-I499 PolarHBondContact O-N 2.81Å; S497-I499 VanDerWaalsContact C-N 3.28Å; S497-I499 PolarHBondContact O-N 3.15Å; I499-Q503 WeakPolarHBondContact O-CB 3.32Å; I499-Q503 PolarHBondContact O-N 3.08Å
500	K	80	Confident	72.4	Confident	142 Å²	142	56.4 Å²	56.4	62%	0.617	29%	0.29	S	S	*	.	H	α-helix	trans	-67.7	-38.8	176	-68.7	178.3	179.2	-178.5	0	111.1	G496 S497 L498 Q503 L504	G496-K500 PolarHBondContact O-N 3.47Å; S497-K500 WeakPolarHBondContact O-CA 3.37Å; S497-K500 WeakPolarHBondContact O-CB 3.43Å; S497-K500 PolarHBondContact O-N 3.36Å; L498-K500 VanDerWaalsContact C-N 3.33Å; L498-K500 PolarHBondContact O-N 2.77Å; K500-Q503 WeakPolarHBondContact O-CB 3.31Å; K500-Q503 PolarHBondContact O-N 3.22Å; K500-L504 WeakPolarHBondContact O-CG 3.33Å; K500-L504 PolarHBondContact O-N 2.96Å
501	E	78.3	Confident	73.1	Confident	72 Å²	72	61.6 Å²	61.6	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-44.6	175.6	-72	171.6	-164.5	0	0	111.7	L482 S497 L498 Q503 L504 V505	L482-E501 HydrophobicContact CD1-CB 4.29Å; L482-E501 WeakPolarHBondContact CD1-OE2 3.45Å; S497-E501 PolarHBondContact O-N 3.41Å; L498-E501 PolarHBondContact O-N 3.36Å; E501-Q503 VanDerWaalsContact C-N 3.26Å; E501-Q503 PolarHBondContact O-N 2.87Å; E501-L504 WeakPolarHBondContact O-CB 3.33Å; E501-L504 PolarHBondContact O-N 2.8Å; E501-L504 VanDerWaalsContact O-N 3.12Å; E501-V505 WeakPolarHBondContact O-CG2 3.33Å; E501-V505 PolarHBondContact O-N 2.72Å
502	L	77.9	Confident	73.4	Confident	5 Å²	5	64.4 Å²	64.4	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-56	-42.5	171.4	-73.3	172.3	0	0	0	111.6	I385 L446 F449 L482 M483 I486 L498 V505 Y506	I385-L502 HydrophobicContact CD1-CD1 4.39Å; L446-L502 HydrophobicContact CD1-CD2 3.78Å; F449-L502 HydrophobicContact CD1-CB 4.19Å; F449-L502 HydrophobicContact CE1-CB 4.06Å; F449-L502 HydrophobicContact CG-CB 4.48Å; F449-L502 HydrophobicContact CG-CD1 4.48Å; F449-L502 HydrophobicContact CZ-CB 4.24Å; L482-L502 HydrophobicContact CD2-CD2 3.81Å; L482-L502 HydrophobicContact CD2-CG 4.37Å; M483-L502 HydrophobicContact CE-CD2 4.22Å; I486-L502 HydrophobicContact CD1-CD1 4.3Å; I486-L502 HydrophobicContact CD1-CD2 4.38Å; L498-L502 WeakPolarHBondContact O-CG 3.4Å; L498-L502 PolarHBondContact O-N 3.49Å; L502-V505 PolarHBondContact O-N 3.37Å; L502-Y506 WeakPolarHBondContact O-CB 3.37Å; L502-Y506 PolarHBondContact O-N 2.98Å
503	Q	81.2	Confident	73.7	Confident	69 Å²	69	64.6 Å²	64.6	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-41	176.2	-168.3	175.7	1	0	0	112.4	F449 I499 K500 E501 N507	F449-Q503 HydrophobicContact CE2-CB 4.41Å; F449-Q503 HydrophobicContact CZ-CB 3.79Å; F449-Q503 HydrophobicContact CZ-CG 4.32Å; I499-Q503 WeakPolarHBondContact O-CB 3.32Å; I499-Q503 PolarHBondContact O-N 3.08Å; K500-Q503 WeakPolarHBondContact O-CB 3.31Å; K500-Q503 PolarHBondContact O-N 3.22Å; E501-Q503 VanDerWaalsContact C-N 3.26Å; E501-Q503 PolarHBondContact O-N 2.87Å; Q503-N507 VanDerWaalsContact O-CB 3.3Å; Q503-N507 WeakPolarHBondContact O-CB 3.2Å; Q503-N507 PolarHBondContact O-N 3.38Å; Q503-N507 PolarHBondContact O-ND2 2.84Å
504	L	79.8	Confident	73.6	Confident	102 Å²	102	63.5 Å²	63.5	53%	0.534	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-44	176.3	-73.3	168.3	0	0	0	111.7	K500 E501 N507 K508	K500-L504 WeakPolarHBondContact O-CG 3.33Å; K500-L504 PolarHBondContact O-N 2.96Å; E501-L504 WeakPolarHBondContact O-CB 3.33Å; E501-L504 PolarHBondContact O-N 2.8Å; E501-L504 VanDerWaalsContact O-N 3.12Å; L504-N507 PolarHBondContact O-N 2.83Å; L504-K508 WeakPolarHBondContact O-CB 3.46Å; L504-K508 VanDerWaalsContact O-CG 3.32Å; L504-K508 WeakPolarHBondContact O-CG 3.29Å; L504-K508 PolarHBondContact O-N 2.95Å
505	V	76.4	Confident	72.6	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.2	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-49.8	176.7	168.9	0	0	0	0	110.3	H479 L482 E501 L502 N507 K508 A509	H479-V505 WeakPolarHBondContact NE2-CG1 3.11Å; L482-V505 HydrophobicContact CD2-CG2 4.3Å; E501-V505 WeakPolarHBondContact O-CG2 3.33Å; E501-V505 PolarHBondContact O-N 2.72Å; L502-V505 PolarHBondContact O-N 3.37Å; V505-N507 PolarHBondContact O-N 3.44Å; V505-K508 PolarHBondContact O-N 3.34Å; V505-A509 PolarHBondContact O-N 3.47Å
506	Y	74.8	Confident	72.1	Confident	46 Å²	46	69 Å²	69	18%	0.18	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-46	178.8	-174	-80.8	0	0	0	111.9	Y455 L502 K508 A509 R510	Y455-Y506 WeakPolarHBondContact CB-OH 3.15Å; Y455-Y506 AromaticContact CD1-CD1 3.69Å; Y455-Y506 HydrophobicContact CD1-CD1 3.69Å; Y455-Y506 AromaticContact CD1-CE1 3Å; Y455-Y506 HydrophobicContact CD1-CE1 3Å; Y455-Y506 HydrophobicContact CD1-CE2 4.01Å; Y455-Y506 HydrophobicContact CD1-CG 4.43Å; Y455-Y506 AromaticContact CD1-CZ 3.18Å; Y455-Y506 VanDerWaalsContact CD1-OH 3.29Å; Y455-Y506 WeakPolarHBondContact CD1-OH 3.39Å; Y455-Y506 HydrophobicContact CD2-CD1 4.15Å; Y455-Y506 HydrophobicContact CD2-CD2 4.12Å; Y455-Y506 HydrophobicContact CD2-CE1 4.12Å; Y455-Y506 HydrophobicContact CD2-CE2 4.05Å; Y455-Y506 HydrophobicContact CD2-CG 4.16Å; Y455-Y506 AromaticContact CE1-CD1 3.26Å; Y455-Y506 HydrophobicContact CE1-CD1 3.26Å; Y455-Y506 AromaticContact CE1-CE1 3Å; Y455-Y506 HydrophobicContact CE1-CE1 3Å; Y455-Y506 HydrophobicContact CE1-CG 4.19Å; Y455-Y506 AromaticContact CE1-CZ 3.72Å; Y455-Y506 AromaticContact CE2-CD1 3.79Å; Y455-Y506 HydrophobicContact CE2-CD1 3.79Å; Y455-Y506 HydrophobicContact CE2-CD2 4.33Å; Y455-Y506 HydrophobicContact CE2-CE1 4.13Å; Y455-Y506 AromaticContact CE2-CG 3.92Å; Y455-Y506 HydrophobicContact CE2-CG 3.92Å; Y455-Y506 HydrophobicContact CG-CD1 4.09Å; Y455-Y506 HydrophobicContact CG-CD2 4.23Å; Y455-Y506 AromaticContact CG-CE1 3.59Å; Y455-Y506 HydrophobicContact CG-CE1 3.59Å; Y455-Y506 AromaticContact CG-CE2 3.71Å; Y455-Y506 HydrophobicContact CG-CE2 3.71Å; Y455-Y506 HydrophobicContact CG-CG 4.4Å; Y455-Y506 AromaticContact CG-CZ 3.35Å; Y455-Y506 AromaticContact CZ-CD1 3.29Å; Y455-Y506 AromaticContact CZ-CE1 3.58Å; Y455-Y506 AromaticContact CZ-CG 3.9Å; L502-Y506 WeakPolarHBondContact O-CB 3.37Å; L502-Y506 PolarHBondContact O-N 2.98Å; Y506-K508 VanDerWaalsContact C-N 3.32Å; Y506-K508 PolarHBondContact O-N 3.43Å; Y506-A509 PolarHBondContact O-N 2.9Å; Y506-R510 HydrophobicContact CE1-CB 4.22Å; Y506-R510 WeakPolarHBondContact O-CB 3.46Å; Y506-R510 PolarHBondContact O-N 3.34Å
507	N	76.2	Confident	71.1	Confident	60 Å²	60	73.1 Å²	73.1	32%	0.321	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-38.4	179.5	-73.8	-16	0	0	0	112.3	Y455 Q503 L504 V505 R510 Q511	Y455-N507 PolarHBondContact OH-OD1 3.31Å; Q503-N507 VanDerWaalsContact O-CB 3.3Å; Q503-N507 WeakPolarHBondContact O-CB 3.2Å; Q503-N507 PolarHBondContact O-N 3.38Å; Q503-N507 PolarHBondContact O-ND2 2.84Å; L504-N507 PolarHBondContact O-N 2.83Å; V505-N507 PolarHBondContact O-N 3.44Å; N507-R510 PolarHBondContact O-N 3.2Å; N507-Q511 WeakPolarHBondContact O-CB 3.14Å; N507-Q511 VanDerWaalsContact O-CG 3.31Å; N507-Q511 WeakPolarHBondContact O-CG 3.39Å; N507-Q511 PolarHBondContact O-N 2.91Å
508	K	74.4	Confident	70	Confident	147 Å²	147	75.5 Å²	75.5	64%	0.639	38%	0.381	S	S	*	.	H	α-helix	trans	-65.1	-45	174.5	-76.1	178.4	179.5	-177	0	111.8	L504 V505 Y506 R510 Q511 A512	L504-K508 WeakPolarHBondContact O-CB 3.46Å; L504-K508 VanDerWaalsContact O-CG 3.32Å; L504-K508 WeakPolarHBondContact O-CG 3.29Å; L504-K508 PolarHBondContact O-N 2.95Å; V505-K508 PolarHBondContact O-N 3.34Å; Y506-K508 VanDerWaalsContact C-N 3.32Å; Y506-K508 PolarHBondContact O-N 3.43Å; K508-R510 VanDerWaalsContact C-N 3.33Å; K508-R510 PolarHBondContact O-N 3.12Å; K508-Q511 PolarHBondContact O-N 3.5Å; K508-A512 WeakPolarHBondContact O-CB 3.42Å; K508-A512 PolarHBondContact O-N 3.48Å
509	A	72.7	Confident	68.8	Low	33 Å²	33	79.5 Å²	79.5	27%	0.273	41%	0.405	S	S	.	.	H	α-helix	trans	-61.5	-42.6	176.9	0	0	0	0	0	111.5	V505 Y506 A512 S513	V505-A509 PolarHBondContact O-N 3.47Å; Y506-A509 PolarHBondContact O-N 2.9Å; A509-A512 PolarHBondContact O-N 3.33Å; A509-S513 PolarHBondContact O-N 2.69Å
510	R	69.1	Low	68	Low	128 Å²	128	84.3 Å²	84.3	48%	0.483	43%	0.428	S	S	.	.	H	α-helix	trans	-65.5	-42.6	175.9	-171.2	174.1	-179.8	-179.9	4.7	112.4	Y506 N507 K508 A512 S513 I514	Y506-R510 HydrophobicContact CE1-CB 4.22Å; Y506-R510 WeakPolarHBondContact O-CB 3.46Å; Y506-R510 PolarHBondContact O-N 3.34Å; N507-R510 PolarHBondContact O-N 3.2Å; K508-R510 VanDerWaalsContact C-N 3.33Å; K508-R510 PolarHBondContact O-N 3.12Å; R510-A512 VanDerWaalsContact C-N 3.32Å; R510-A512 PolarHBondContact O-N 3.15Å; R510-S513 PolarHBondContact O-N 3.2Å; R510-I514 HydrophobicContact CG-CD1 4.04Å; R510-I514 VanDerWaalsContact O-CG1 3.29Å; R510-I514 WeakPolarHBondContact O-CG1 3.26Å; R510-I514 PolarHBondContact O-N 3.25Å
511	Q	64.3	Low	67.1	Low	130 Å²	130	83 Å²	83	61%	0.607	43%	0.426	S	S	*	.	H	α-helix	trans	-62.1	-39.8	174.5	-79.2	178.5	-6.1	0	0	111.9	N507 K508 I514 T515	N507-Q511 WeakPolarHBondContact O-CB 3.14Å; N507-Q511 VanDerWaalsContact O-CG 3.31Å; N507-Q511 WeakPolarHBondContact O-CG 3.39Å; N507-Q511 PolarHBondContact O-N 2.91Å; K508-Q511 PolarHBondContact O-N 3.5Å; Q511-I514 PolarHBondContact O-N 3.12Å; Q511-T515 WeakPolarHBondContact O-CB 3.18Å; Q511-T515 PolarHBondContact O-N 3.05Å; Q511-T515 PolarHBondContact O-OG1 3.38Å
512	A	66.1	Low	66.3	Low	60 Å²	60	84.3 Å²	84.3	50%	0.496	44%	0.439	S	S	.	.	H	α-helix	trans	-62.9	-44.1	175.3	0	0	0	0	0	111.7	K508 A509 R510 T515 Q516	K508-A512 WeakPolarHBondContact O-CB 3.42Å; K508-A512 PolarHBondContact O-N 3.48Å; A509-A512 PolarHBondContact O-N 3.33Å; R510-A512 VanDerWaalsContact C-N 3.32Å; R510-A512 PolarHBondContact O-N 3.15Å; A512-T515 PolarHBondContact O-N 2.85Å; A512-Q516 WeakPolarHBondContact O-CB 3.19Å; A512-Q516 PolarHBondContact O-N 2.83Å
513	S	64.8	Low	65.3	Low	58 Å²	58	87.3 Å²	87.3	41%	0.406	46%	0.46	S	S	.	.	H	α-helix	trans	-59.9	-47.9	175.2	-166	0	0	0	0	112.1	A509 R510 T515 Q516 E517	A509-S513 PolarHBondContact O-N 2.69Å; R510-S513 PolarHBondContact O-N 3.2Å; S513-T515 VanDerWaalsContact C-N 3.3Å; S513-T515 PolarHBondContact O-N 2.73Å; S513-Q516 PolarHBondContact O-N 2.87Å; S513-E517 PolarHBondContact O-N 2.94Å
514	I	62.8	Low	63.9	Low	76 Å²	76	86 Å²	86	39%	0.39	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-40.4	177.7	-67	165.4	0	0	0	110.7	R510 Q511 Q516 E517 L518	R510-I514 HydrophobicContact CG-CD1 4.04Å; R510-I514 VanDerWaalsContact O-CG1 3.29Å; R510-I514 WeakPolarHBondContact O-CG1 3.26Å; R510-I514 PolarHBondContact O-N 3.25Å; Q511-I514 PolarHBondContact O-N 3.12Å; I514-Q516 VanDerWaalsContact C-N 3.33Å; I514-E517 PolarHBondContact O-N 2.87Å; I514-L518 HydrophobicContact CG2-CD1 3.87Å; I514-L518 HydrophobicContact CG2-CG 4.39Å; I514-L518 WeakPolarHBondContact O-CB 3.37Å; I514-L518 VanDerWaalsContact O-CG 3.24Å; I514-L518 WeakPolarHBondContact O-CG 3.36Å; I514-L518 PolarHBondContact O-N 2.89Å
515	T	52.3	Low	62.6	Low	82 Å²	82	84.4 Å²	84.4	50%	0.503	47%	0.466	S	S	.	.	H	α-helix	trans	-65.9	-38.7	178.2	-53.2	0	0	0	0	111.1	Q511 A512 S513 L518 T519	Q511-T515 WeakPolarHBondContact O-CB 3.18Å; Q511-T515 PolarHBondContact O-N 3.05Å; Q511-T515 PolarHBondContact O-OG1 3.38Å; A512-T515 PolarHBondContact O-N 2.85Å; S513-T515 VanDerWaalsContact C-N 3.3Å; S513-T515 PolarHBondContact O-N 2.73Å; T515-L518 PolarHBondContact O-N 3.5Å; T515-T519 WeakPolarHBondContact O-CB 3.19Å; T515-T519 PolarHBondContact O-N 2.72Å; T515-T519 PolarHBondContact O-OG1 3.37Å
516	Q	58.2	Low	61.5	Low	120 Å²	120	86.8 Å²	86.8	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-66.4	-47.3	176.5	-170.3	176.7	-16.3	0	0	111.5	A512 S513 I514 L518 T519 E520	A512-Q516 WeakPolarHBondContact O-CB 3.19Å; A512-Q516 PolarHBondContact O-N 2.83Å; S513-Q516 PolarHBondContact O-N 2.87Å; I514-Q516 VanDerWaalsContact C-N 3.33Å; Q516-L518 VanDerWaalsContact C-N 3.34Å; Q516-L518 PolarHBondContact O-N 2.8Å; Q516-T519 WeakPolarHBondContact O-CB 3.14Å; Q516-T519 PolarHBondContact O-N 2.87Å; Q516-T519 VanDerWaalsContact O-N 3.09Å; Q516-E520 PolarHBondContact NE2-OE1 2.97Å; Q516-E520 WeakPolarHBondContact O-CG 3.43Å; Q516-E520 PolarHBondContact O-N 3.04Å
517	E	55.1	Low	60.3	Low	112 Å²	112	88.8 Å²	88.8	52%	0.523	52%	0.515	S	S	.	.	H	α-helix	trans	-57.9	-44.6	174.2	-74.5	175.1	-170.6	0	0	111.9	S513 I514 T519 E520 I521	S513-E517 PolarHBondContact O-N 2.94Å; I514-E517 PolarHBondContact O-N 2.87Å; E517-T519 VanDerWaalsContact C-N 3.31Å; E517-T519 PolarHBondContact O-N 3.41Å; E517-E520 PolarHBondContact O-N 2.74Å; E517-I521 VanDerWaalsContact O-CG1 3.27Å; E517-I521 WeakPolarHBondContact O-CG1 3.42Å; E517-I521 PolarHBondContact O-N 3.23Å
518	L	53.2	Low	58.6	Low	98 Å²	98	94.6 Å²	94.6	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-38.4	175.1	-75.1	168.6	0	0	0	111.9	I514 T515 Q516 I521 V522	I514-L518 HydrophobicContact CG2-CD1 3.87Å; I514-L518 HydrophobicContact CG2-CG 4.39Å; I514-L518 WeakPolarHBondContact O-CB 3.37Å; I514-L518 VanDerWaalsContact O-CG 3.24Å; I514-L518 WeakPolarHBondContact O-CG 3.36Å; I514-L518 PolarHBondContact O-N 2.89Å; T515-L518 PolarHBondContact O-N 3.5Å; Q516-L518 VanDerWaalsContact C-N 3.34Å; Q516-L518 PolarHBondContact O-N 2.8Å; L518-I521 PolarHBondContact O-N 2.91Å; L518-V522 WeakPolarHBondContact O-CB 3.31Å; L518-V522 WeakPolarHBondContact O-CG2 3.46Å; L518-V522 PolarHBondContact O-N 3.5Å
519	T	50.9	Low	57.9	Low	83 Å²	83	92 Å²	92	51%	0.509	55%	0.549	S	S	.	.	H	α-helix	trans	-69.2	-38.1	178.2	-52.9	0	0	0	0	111.4	T515 Q516 E517 V522 S523	T515-T519 WeakPolarHBondContact O-CB 3.19Å; T515-T519 PolarHBondContact O-N 2.72Å; T515-T519 PolarHBondContact O-OG1 3.37Å; Q516-T519 WeakPolarHBondContact O-CB 3.14Å; Q516-T519 PolarHBondContact O-N 2.87Å; Q516-T519 VanDerWaalsContact O-N 3.09Å; E517-T519 VanDerWaalsContact C-N 3.31Å; E517-T519 PolarHBondContact O-N 3.41Å; T519-V522 PolarHBondContact O-N 3.33Å; T519-S523 VanDerWaalsContact O-CB 3.28Å; T519-S523 WeakPolarHBondContact O-CB 3.18Å; T519-S523 PolarHBondContact O-N 3.01Å; T519-S523 PolarHBondContact O-OG 3.21Å
520	E	59.6	Low	57.1	Low	115 Å²	115	95.1 Å²	95.1	54%	0.537	56%	0.563	S	S	.	*	H	α-helix	trans	-65.6	-40.4	173.7	-73	177.1	-168.2	0	0	111.6	Q516 E517 S523 G524	Q516-E520 PolarHBondContact NE2-OE1 2.97Å; Q516-E520 WeakPolarHBondContact O-CG 3.43Å; Q516-E520 PolarHBondContact O-N 3.04Å; E517-E520 PolarHBondContact O-N 2.74Å; E520-S523 WeakPolarHBondContact CA-OG 3.42Å; E520-S523 PolarHBondContact O-OG 3.44Å; E520-G524 PolarHBondContact O-N 3.2Å
521	I	61.4	Low	56.4	Low	113 Å²	113	93.3 Å²	93.3	58%	0.579	57%	0.568	S	S	*	*	H	α-helix	trans	-65.5	-45.5	174.4	-67.5	165.2	0	0	0	111.2	E517 L518 G524 A525	E517-I521 VanDerWaalsContact O-CG1 3.27Å; E517-I521 WeakPolarHBondContact O-CG1 3.42Å; E517-I521 PolarHBondContact O-N 3.23Å; L518-I521 PolarHBondContact O-N 2.91Å; I521-G524 PolarHBondContact O-N 3.46Å; I521-A525 VanDerWaalsContact O-CB 3.31Å; I521-A525 WeakPolarHBondContact O-CB 3.2Å; I521-A525 PolarHBondContact O-N 3Å
522	V	61.3	Low	55.9	Low	100 Å²	100	91.1 Å²	91.1	61%	0.606	57%	0.565	S	S	*	*	H	α-helix	trans	-68.1	-39.1	-179.5	171.3	0	0	0	0	111.5	L518 T519 A525 A526	L518-V522 WeakPolarHBondContact O-CB 3.31Å; L518-V522 WeakPolarHBondContact O-CG2 3.46Å; L518-V522 PolarHBondContact O-N 3.5Å; T519-V522 PolarHBondContact O-N 3.33Å; V522-A525 PolarHBondContact O-N 3.15Å; V522-A526 PolarHBondContact O-N 3.37Å; V522-A526 VanDerWaalsContact O-N 3.11Å
523	S	56.3	Low	55.3	Low	69 Å²	69	93.1 Å²	93.1	48%	0.483	57%	0.57	S	S	.	*	H	α-helix	trans	-72.1	-34.4	175.9	56.1	0	0	0	0	112.7	T519 E520 A526 A527	T519-S523 VanDerWaalsContact O-CB 3.28Å; T519-S523 WeakPolarHBondContact O-CB 3.18Å; T519-S523 PolarHBondContact O-N 3.01Å; T519-S523 PolarHBondContact O-OG 3.21Å; E520-S523 WeakPolarHBondContact CA-OG 3.42Å; E520-S523 PolarHBondContact O-OG 3.44Å; S523-A526 PolarHBondContact O-N 2.75Å; S523-A527 PolarHBondContact O-N 3.13Å
524	G	52.3	Low	54.7	Low	40 Å²	40	95.4 Å²	95.4	41%	0.412	58%	0.581	S	S	.	*	H	α-helix	trans	-67.3	-35.7	171	0	0	0	0	0	113.1	E520 I521 A526 A527	E520-G524 PolarHBondContact O-N 3.2Å; I521-G524 PolarHBondContact O-N 3.46Å; G524-A526 VanDerWaalsContact C-N 3.34Å; G524-A527 PolarHBondContact O-N 3.43Å
525	A	53.6	Low	54.1	Low	69 Å²	69	96.8 Å²	96.8	57%	0.57	59%	0.594	S	S	*	*	H	α-helix	trans	-74.3	-21.2	175.5	0	0	0	0	0	113.7	I521 V522	I521-A525 VanDerWaalsContact O-CB 3.31Å; I521-A525 WeakPolarHBondContact O-CB 3.2Å; I521-A525 PolarHBondContact O-N 3Å; V522-A525 PolarHBondContact O-N 3.15Å
526	A	52.5	Low	54.3	Low	84 Å²	84	97.9 Å²	97.9	69%	0.694	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-6.3	174.3	0	0	0	0	0	113.6	V522 S523 G524	V522-A526 PolarHBondContact O-N 3.37Å; V522-A526 VanDerWaalsContact O-N 3.11Å; S523-A526 PolarHBondContact O-N 2.75Å; G524-A526 VanDerWaalsContact C-N 3.34Å
527	A	49.2	Very low	53.9	Low	87 Å²	87	96.1 Å²	96.1	72%	0.719	61%	0.605	S	S	*	*			trans	-102.1	5.3	-179.7	0	0	0	0	0	113.9	S523 G524	S523-A527 PolarHBondContact O-N 3.13Å; G524-A527 PolarHBondContact O-N 3.43Å
528	V	41.7	Very low	53.8	Low	183 Å²	183	94.6 Å²	94.6	100%	1.109	61%	0.612	S	S	*	*			trans	-116.4	0	170.5	-172.8	0	0	0	0	108

Retrieved 528 of 528 residues in 179.4 ms (Link to these results)

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