A0A096LW01_POEFO Loading...

Cytosolic carboxypeptidase 2

AlphaFold DB , UniProt , Accession A0A096LW01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 589 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	49.7	Very low	54.9	Low	208 Å²	208	115.5 Å²	115.5	100%	1.025	59%	0.585	S	S	*	*				0	120.8	0	-156.6	-178.7	-78.7	0	0	107.5	L3	M1-L3 PolarHBondContact O-N 3.39Å
2	N	49.4	Very low	55.7	Low	98 Å²	98	112 Å²	112	52%	0.524	57%	0.568	S	S	.	*			trans	-79.2	89.9	-177.2	-170	-20	0	0	0	109.8	S4 Q5	N2-S4 PolarHBondContact O-N 3.45Å; N2-S4 PolarHBondContact OD1-N 3.04Å; N2-S4 PolarHBondContact OD1-OG 3.02Å; N2-Q5 PolarHBondContact O-N 2.64Å
3	L	52.9	Low	56.5	Low	68 Å²	68	108.6 Å²	108.6	36%	0.356	55%	0.551	S	S	.	*	H	α-helix	trans	-57.4	-22.2	-173.5	-80.9	113.6	0	0	0	114.4	M1 Q5 T6 L7 L14	M1-L3 PolarHBondContact O-N 3.39Å; L3-Q5 VanDerWaalsContact C-N 3.25Å; L3-Q5 PolarHBondContact O-N 3.07Å; L3-T6 PolarHBondContact O-N 3.14Å; L3-L7 HydrophobicContact CB-CD1 4.47Å; L3-L7 HydrophobicContact CD2-CD1 3.98Å; L3-L7 PolarHBondContact O-N 2.95Å; L3-L14 HydrophobicContact CD1-CD2 3.62Å; L3-L14 HydrophobicContact CD2-CD2 4.37Å
4	S	48.8	Very low	57.5	Low	61 Å²	61	105.1 Å²	105.1	43%	0.427	53%	0.534	S	S	.	.	H	α-helix	trans	-64	-31.1	176.2	70	0	0	0	0	112.7	N2 R8	N2-S4 PolarHBondContact O-N 3.45Å; N2-S4 PolarHBondContact OD1-N 3.04Å; N2-S4 PolarHBondContact OD1-OG 3.02Å; S4-R8 PolarHBondContact O-N 3.24Å
5	Q	51	Low	58.3	Low	153 Å²	153	103.7 Å²	103.7	72%	0.715	53%	0.529	S	S	*	.	H	α-helix	trans	-78.6	-32.9	175.8	-71.5	178.6	-25.8	0	0	111.9	N2 L3	N2-Q5 PolarHBondContact O-N 2.64Å; L3-Q5 VanDerWaalsContact C-N 3.25Å; L3-Q5 PolarHBondContact O-N 3.07Å
6	T	62.3	Low	59.3	Low	95 Å²	95	105.1 Å²	105.1	58%	0.583	53%	0.53	S	S	*	.	H	α-helix	trans	-79.5	-40.4	-177.5	-38.4	0	0	0	0	112.8	L3	L3-T6 PolarHBondContact O-N 3.14Å
7	L	61.9	Low	59.1	Low	90 Å²	90	106.2 Å²	106.2	47%	0.471	53%	0.533	S	S	.	.	S	Bend	trans	-92.7	-4	-175.9	-66.3	170.8	0	0	0	113.9	L3 T9 F23	L3-L7 HydrophobicContact CB-CD1 4.47Å; L3-L7 HydrophobicContact CD2-CD1 3.98Å; L3-L7 PolarHBondContact O-N 2.95Å; L7-T9 HydrophobicContact CB-CG2 3.78Å; L7-T9 PolarHBondContact O-N 3.39Å; L7-F23 HydrophobicContact CD1-CE1 4.06Å
8	R	60.6	Low	59.7	Low	239 Å²	239	108.9 Å²	108.9	90%	0.902	55%	0.549	S	S	*	.			trans	47.6	32.2	-175.6	-63.9	-174	177.2	-175.2	0	114	S4	S4-R8 PolarHBondContact O-N 3.24Å
9	T	51.5	Low	60.3	Low	39 Å²	39	106.5 Å²	106.5	24%	0.239	56%	0.555	C	S	.	*			trans	-130	130.7	178.4	179.4	0	0	0	0	110.7	L7 Q11 L12	L7-T9 HydrophobicContact CB-CG2 3.78Å; L7-T9 PolarHBondContact O-N 3.39Å; T9-Q11 VanDerWaalsContact C-N 3.35Å; T9-Q11 PolarHBondContact OG1-N 2.99Å; T9-L12 HydrophobicContact CG2-CB 4.1Å; T9-L12 HydrophobicContact CG2-CD1 3.95Å; T9-L12 HydrophobicContact CG2-CG 4.17Å
10	T	57.8	Low	60.3	Low	110 Å²	110	108.1 Å²	108.1	68%	0.675	56%	0.559	S	S	*	*	S	Bend	trans	-92.4	-1.7	173.7	54.1	0	0	0	0	112.2	R26	T10-R26 WeakPolarHBondContact O-CD 3.32Å; T10-R26 PolarHBondContact O-NE 2.73Å; T10-R26 PolarHBondContact O-NH1 3.32Å
11	Q	57.8	Low	60.7	Low	110 Å²	110	106.1 Å²	106.1	51%	0.514	55%	0.553	S	S	.	*	S	Bend	trans	-104.5	-8.1	-168.5	-157.2	175.9	8.3	0	0	113.4	T9 L25 R26	T9-Q11 VanDerWaalsContact C-N 3.35Å; T9-Q11 PolarHBondContact OG1-N 2.99Å; Q11-L25 HydrophobicContact CG-CD2 4.03Å; Q11-L25 CarbonylContact O-C 3.58Å; Q11-L25 WeakPolarHBondContact O-CA 3.38Å; Q11-R26 PolarHBondContact O-N 3.33Å
12	L	65.2	Low	61.8	Low	73 Å²	73	99.4 Å²	99.4	38%	0.382	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128	174.2	-66.1	173.4	0	0	0	110.2	T9 F23 L25	T9-L12 HydrophobicContact CG2-CB 4.1Å; T9-L12 HydrophobicContact CG2-CD1 3.95Å; T9-L12 HydrophobicContact CG2-CG 4.17Å; L12-F23 HydrophobicContact CD2-CB 4.47Å; L12-L25 HydrophobicContact CD2-CD2 3.79Å; L12-L25 HydrophobicContact CD2-CG 4.28Å
13	L	65.3	Low	62.9	Low	68 Å²	68	100 Å²	100	36%	0.356	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.2	167.1	-65.3	173.1	0	0	0	108	F23 I24 R26	L13-F23 WeakPolarHBondContact O-CA 3.37Å; L13-I24 PolarHBondContact N-O 3.22Å; L13-I24 PolarHBondContact O-N 2.92Å; L13-R26 HydrophobicContact CD1-CB 4.2Å; L13-R26 HydrophobicContact CD1-CG 4.15Å; L13-R26 HydrophobicContact CD2-CG 4.36Å; L13-R26 HydrophobicContact CG-CB 3.98Å; L13-R26 HydrophobicContact CG-CG 4.19Å
14	L	70.7	Confident	63.6	Low	59 Å²	59	100.4 Å²	100.4	31%	0.309	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.1	170.6	-173.4	74.2	0	0	0	108	L3 F16 P21 F23	L3-L14 HydrophobicContact CD1-CD2 3.62Å; L3-L14 HydrophobicContact CD2-CD2 4.37Å; L14-F16 HydrophobicContact CD2-CE2 3.96Å; L14-F16 HydrophobicContact CD2-CZ 3.85Å; L14-F16 HydrophobicContact CG-CE2 4.24Å; L14-F16 HydrophobicContact CG-CZ 4.38Å; L14-P21 HydrophobicContact CD1-CB 3.73Å; L14-F23 HydrophobicContact CD1-CD1 3.87Å; L14-F23 HydrophobicContact CD1-CE1 3.5Å; L14-F23 HydrophobicContact CD1-CE2 4.22Å; L14-F23 HydrophobicContact CD1-CG 4.4Å; L14-F23 HydrophobicContact CD1-CZ 3.69Å
15	N	70.3	Confident	64.1	Low	85 Å²	85	102.8 Å²	102.8	46%	0.455	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	164.6	171.8	-153.8	4.5	0	0	0	109.9	P21 V22 I24	N15-P21 CarbonylContact O-C 3.42Å; N15-P21 WeakPolarHBondContact O-CA 3.45Å; N15-V22 PolarHBondContact N-O 2.86Å; N15-V22 PolarHBondContact O-N 3.41Å; N15-I24 HydrophobicContact CB-CD1 3.66Å; N15-I24 HydrophobicContact CB-CG1 4.25Å
16	F	73.1	Confident	64	Low	125 Å²	125	101.5 Å²	101.5	55%	0.548	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.8	177.3	-69.2	-91.2	0	0	0	110	L14 Q20 P21	L14-F16 HydrophobicContact CD2-CE2 3.96Å; L14-F16 HydrophobicContact CD2-CZ 3.85Å; L14-F16 HydrophobicContact CG-CE2 4.24Å; L14-F16 HydrophobicContact CG-CZ 4.38Å; F16-Q20 WeakPolarHBondContact CA-O 3.46Å; F16-P21 HydrophobicContact CD1-CB 4.44Å; F16-P21 HydrophobicContact CE1-CB 4.09Å
17	H	56.7	Low	63.3	Low	125 Å²	125	101.7 Å²	101.7	58%	0.579	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.9	172.2	-137.1	-70.6	0	0	0	107.7	G19 Q20 V22	H17-G19 PolarHBondContact O-N 3.04Å; H17-G19 VanDerWaalsContact O-N 3.14Å; H17-Q20 PolarHBondContact N-O 2.79Å; H17-Q20 PolarHBondContact O-N 3.47Å; H17-V22 HydrophobicContact CB-CG2 4.04Å
18	D	70.1	Confident	62.9	Low	155 Å²	155	102 Å²	102	83%	0.829	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.9	-178	-54.4	-54.3	0	0	0	113.8	Q20	D18-Q20 VanDerWaalsContact C-N 3.25Å; D18-Q20 PolarHBondContact O-N 2.82Å
19	G	71.3	Confident	62.3	Low	63 Å²	63	95.7 Å²	95.7	65%	0.649	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-3.7	-179.1	0	0	0	0	0	115.3	H17	H17-G19 PolarHBondContact O-N 3.04Å; H17-G19 VanDerWaalsContact O-N 3.14Å
20	Q	59.8	Low	62.3	Low	138 Å²	138	99 Å²	99	65%	0.645	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.6	134.9	176.1	-66.4	-65.6	-29.2	0	0	111.6	F16 H17 D18 V22	F16-Q20 WeakPolarHBondContact CA-O 3.46Å; H17-Q20 PolarHBondContact N-O 2.79Å; H17-Q20 PolarHBondContact O-N 3.47Å; D18-Q20 VanDerWaalsContact C-N 3.25Å; D18-Q20 PolarHBondContact O-N 2.82Å; Q20-V22 PolarHBondContact O-N 3.37Å
21	P	68.4	Low	62.4	Low	67 Å²	67	100.3 Å²	100.3	44%	0.435	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.8	121.8	176.6	26.3	-30.8	0	0	0	111.4	L14 N15 F16	L14-P21 HydrophobicContact CD1-CB 3.73Å; N15-P21 CarbonylContact O-C 3.42Å; N15-P21 WeakPolarHBondContact O-CA 3.45Å; F16-P21 HydrophobicContact CD1-CB 4.44Å; F16-P21 HydrophobicContact CE1-CB 4.09Å
22	V	73.9	Confident	63.5	Low	67 Å²	67	96.3 Å²	96.3	41%	0.406	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.2	173.5	-177.5	0	0	0	0	109	N15 H17 Q20 I24	N15-V22 PolarHBondContact N-O 2.86Å; N15-V22 PolarHBondContact O-N 3.41Å; H17-V22 HydrophobicContact CB-CG2 4.04Å; Q20-V22 PolarHBondContact O-N 3.37Å; V22-I24 HydrophobicContact CG1-CG1 4.3Å
23	F	72.3	Confident	64.6	Low	111 Å²	111	98 Å²	98	49%	0.487	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.8	175.9	-65.9	-85.5	0	0	0	110.3	L7 L12 L13 L14	L7-F23 HydrophobicContact CD1-CE1 4.06Å; L12-F23 HydrophobicContact CD2-CB 4.47Å; L13-F23 WeakPolarHBondContact O-CA 3.37Å; L14-F23 HydrophobicContact CD1-CD1 3.87Å; L14-F23 HydrophobicContact CD1-CE1 3.5Å; L14-F23 HydrophobicContact CD1-CE2 4.22Å; L14-F23 HydrophobicContact CD1-CG 4.4Å; L14-F23 HydrophobicContact CD1-CZ 3.69Å
24	I	67.2	Low	65.8	Low	75 Å²	75	97.1 Å²	97.1	39%	0.385	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.4	179.5	-54.3	179	0	0	0	108.1	L13 N15 V22 R26	L13-I24 PolarHBondContact N-O 3.22Å; L13-I24 PolarHBondContact O-N 2.92Å; N15-I24 HydrophobicContact CB-CD1 3.66Å; N15-I24 HydrophobicContact CB-CG1 4.25Å; V22-I24 HydrophobicContact CG1-CG1 4.3Å; I24-R26 PolarHBondContact O-N 2.74Å
25	L	59.6	Low	66.9	Low	112 Å²	112	97 Å²	97	59%	0.586	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	126.9	172.7	-74.3	162.2	0	0	0	109.8	Q11 L12	Q11-L25 HydrophobicContact CG-CD2 4.03Å; Q11-L25 CarbonylContact O-C 3.58Å; Q11-L25 WeakPolarHBondContact O-CA 3.38Å; L12-L25 HydrophobicContact CD2-CD2 3.79Å; L12-L25 HydrophobicContact CD2-CG 4.28Å
26	R	47.8	Very low	68	Low	125 Å²	125	102.5 Å²	102.5	47%	0.472	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-55.5	134	166	-163.6	179.8	-88.9	-174	-9.2	107.1	T10 Q11 L13 I24	T10-R26 WeakPolarHBondContact O-CD 3.32Å; T10-R26 PolarHBondContact O-NE 2.73Å; T10-R26 PolarHBondContact O-NH1 3.32Å; Q11-R26 PolarHBondContact O-N 3.33Å; L13-R26 HydrophobicContact CD1-CB 4.2Å; L13-R26 HydrophobicContact CD1-CG 4.15Å; L13-R26 HydrophobicContact CD2-CG 4.36Å; L13-R26 HydrophobicContact CG-CB 3.98Å; L13-R26 HydrophobicContact CG-CG 4.19Å; I24-R26 PolarHBondContact O-N 2.74Å
27	P	48.4	Very low	69.1	Low	99 Å²	99	97.2 Å²	97.2	64%	0.643	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-51.2	138.7	173	-24	32.1	0	0	0	109.5	S29	P27-S29 PolarHBondContact O-N 3.43Å
28	P	54	Low	71	Confident	98 Å²	98	96.1 Å²	96.1	64%	0.636	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-49	141.6	172.1	-23	31.5	0	0	0	109.7	A30	P28-A30 PolarHBondContact O-N 3.35Å
29	S	47.9	Very low	72.2	Confident	106 Å²	106	89.7 Å²	89.7	74%	0.741	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-48.5	130.4	177.9	55	0	0	0	0	110.3	P27 L31	P27-S29 PolarHBondContact O-N 3.43Å; S29-L31 PolarHBondContact O-N 3.47Å
30	A	51	Low	73.3	Confident	107 Å²	107	86.7 Å²	86.7	88%	0.884	46%	0.461	S	S	*	.	S	Bend	trans	-60.1	-1.5	-171.3	0	0	0	0	0	116.1	P28 V32	P28-A30 PolarHBondContact O-N 3.35Å; A30-V32 PolarHBondContact O-N 2.82Å
31	L	59.7	Low	74.7	Confident	139 Å²	139	82.2 Å²	82.2	73%	0.728	44%	0.44	S	S	*	.			trans	-97	97.1	-177.9	-81.9	139.5	0	0	0	110.5	S29 N33	S29-L31 PolarHBondContact O-N 3.47Å; L31-N33 PolarHBondContact O-N 3.32Å
32	V	81.5	Confident	75.7	Confident	26 Å²	26	80.5 Å²	80.5	16%	0.158	43%	0.426	C	S	.	.			trans	-64.8	127.3	155.1	172.6	0	0	0	0	107.9	A30 F34 V283 Y296	A30-V32 PolarHBondContact O-N 2.82Å; V32-F34 HydrophobicContact CB-CZ 4.47Å; V32-F34 HydrophobicContact CG1-CE1 4.06Å; V32-F34 HydrophobicContact CG1-CE2 4.44Å; V32-F34 HydrophobicContact CG1-CZ 3.95Å; V32-V283 HydrophobicContact CG1-CG1 4.28Å; V32-V283 HydrophobicContact CG2-CB 4.4Å; V32-V283 HydrophobicContact CG2-CG1 4.35Å; V32-V283 WeakPolarHBondContact CG2-O 3.48Å; V32-Y296 HydrophobicContact CG1-CD1 3.78Å; V32-Y296 HydrophobicContact CG1-CE1 3.52Å
33	N	86.9	Confident	76.4	Confident	108 Å²	108	77.9 Å²	77.9	58%	0.578	41%	0.411	S	S	*	.			trans	-90.5	147.5	176.3	-70.3	-23.9	0	0	0	110.5	L31 P35 Y296	L31-N33 PolarHBondContact O-N 3.32Å; N33-P35 VanDerWaalsContact C-CD 3.45Å; N33-P35 VanDerWaalsContact O-CD 3.26Å; N33-P35 WeakPolarHBondContact O-CD 3.44Å; N33-Y296 PolarHBondContact O-OH 3.24Å
34	F	92.3	Very high	77.2	Confident	49 Å²	49	74 Å²	74	22%	0.215	39%	0.394	C	S	.	.			trans	-117.3	72.9	176	-58.9	-75.8	0	0	0	109.7	V32 Q265 L268 K269 T272 Y296	V32-F34 HydrophobicContact CB-CZ 4.47Å; V32-F34 HydrophobicContact CG1-CE1 4.06Å; V32-F34 HydrophobicContact CG1-CE2 4.44Å; V32-F34 HydrophobicContact CG1-CZ 3.95Å; F34-Q265 HydrophobicContact CB-CB 4.31Å; F34-Q265 HydrophobicContact CD1-CB 4.06Å; F34-Q265 HydrophobicContact CD1-CG 4.24Å; F34-L268 HydrophobicContact CE1-CB 3.5Å; F34-L268 HydrophobicContact CE1-CD1 4.31Å; F34-L268 HydrophobicContact CZ-CB 3.86Å; F34-K269 HydrophobicContact CD2-CB 3.93Å; F34-K269 HydrophobicContact CD2-CG 4.13Å; F34-K269 HydrophobicContact CE2-CB 3.92Å; F34-K269 HydrophobicContact CE2-CG 4.26Å; F34-K269 HydrophobicContact CG-CB 4.4Å; F34-K269 HydrophobicContact CZ-CB 4.4Å; F34-T272 HydrophobicContact CZ-CG2 4.28Å; F34-Y296 AromaticContact CD1-CE1 3.95Å; F34-Y296 HydrophobicContact CD1-CE1 3.95Å; F34-Y296 HydrophobicContact CD1-CE2 4.47Å; F34-Y296 AromaticContact CD1-CZ 3.73Å; F34-Y296 WeakPolarHBondContact CD1-OH 2.96Å; F34-Y296 HydrophobicContact CE1-CD1 4.4Å; F34-Y296 AromaticContact CE1-CE1 3.87Å; F34-Y296 HydrophobicContact CE1-CE1 3.87Å
35	P	93.4	Very high	78.3	Confident	58 Å²	58	71.7 Å²	71.7	38%	0.377	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-70.8	152.9	-177.3	31.4	-35.7	0	0	0	111	N33 Q265 I294	N33-P35 VanDerWaalsContact C-CD 3.45Å; N33-P35 VanDerWaalsContact O-CD 3.26Å; N33-P35 WeakPolarHBondContact O-CD 3.44Å; P35-Q265 PolarHBondContact O-NE2 3.15Å; P35-Q265 PolarHBondContact O-OE1 2.71Å; P35-Q265 VanDerWaalsContact O-OE1 3.07Å; P35-I294 HydrophobicContact CG-CD1 3.83Å; P35-I294 HydrophobicContact CG-CG1 4.34Å
36	R	93.2	Very high	79.7	Confident	199 Å²	199	67.5 Å²	67.5	75%	0.751	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-53.7	145	172	-72.3	-173.3	-178.9	-169.5	0	111	R38 V100	R36-R38 PolarHBondContact O-N 3.26Å; R36-V100 HydrophobicContact CB-CG1 3.62Å
37	P	95	Very high	81.4	Confident	15 Å²	15	67.2 Å²	67.2	10%	0.097	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-55.5	138	179.6	-24.2	31.7	0	0	0	113.2	G101 Y261 S262 V368	P37-G101 PolarHBondContact O-N 2.89Å; P37-Y261 HydrophobicContact CB-CD1 4.22Å; P37-Y261 HydrophobicContact CG-CD1 4.06Å; P37-S262 WeakPolarHBondContact CG-OG 3.47Å; P37-V368 HydrophobicContact CB-CG1 4.2Å; P37-V368 HydrophobicContact CB-CG2 3.8Å
38	R	96.4	Very high	83.1	Confident	101 Å²	101	66 Å²	66	38%	0.381	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.5	170.2	-57.4	-174.3	80.4	116.8	1.4	109.6	R36 S98 R99 V100 G291 G292 N293	R36-R38 PolarHBondContact O-N 3.26Å; R38-S98 PolarHBondContact NE-OG 3.35Å; R38-S98 PolarHBondContact NH2-O 3.23Å; R38-S98 VanDerWaalsContact NH2-O 3.09Å; R38-R99 WeakPolarHBondContact CA-O 3.27Å; R38-V100 HydrophobicContact CG-CG2 4.18Å; R38-G291 WeakPolarHBondContact CB-O 3.33Å; R38-G292 WeakPolarHBondContact CD-O 3.47Å; R38-N293 PolarHBondContact N-OD1 3.45Å; R38-N293 PolarHBondContact O-ND2 3.22Å
39	W	95.4	Very high	84.4	Confident	20 Å²	20	66 Å²	66	8%	0.076	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.8	179.8	-65.2	75.9	0	0	0	109	E41 C43 V45 S98 R99 F127 E128 V368 V369	W39-E41 PolarHBondContact O-N 3.24Å; W39-C43 HydrophobicContact CB-CB 4.41Å; W39-C43 HydrophobicContact CE3-CB 4.1Å; W39-V45 HydrophobicContact CB-CG2 4.43Å; W39-V45 HydrophobicContact CD2-CG2 3.48Å; W39-V45 VanDerWaalsContact CD2-CG2 3.48Å; W39-V45 HydrophobicContact CE3-CG2 3.69Å; W39-V45 HydrophobicContact CG-CG2 3.84Å; W39-V45 HydrophobicContact CH2-CG1 4.37Å; W39-V45 HydrophobicContact CH2-CG2 4.36Å; W39-V45 HydrophobicContact CZ2-CG1 3.9Å; W39-V45 HydrophobicContact CZ2-CG2 4.2Å; W39-V45 HydrophobicContact CZ3-CG2 4.12Å; W39-S98 CarbonylContact O-C 3.58Å; W39-S98 WeakPolarHBondContact O-CA 3.29Å; W39-S98 WeakPolarHBondContact O-CB 3.47Å; W39-R99 PolarHBondContact N-O 2.58Å; W39-R99 PolarHBondContact O-N 2.65Å; W39-F127 VanDerWaalsContact CH2-C 3.48Å; W39-F127 WeakPolarHBondContact CH2-O 3.48Å; W39-E128 HydrophobicContact CH2-CB 4.44Å; W39-E128 HydrophobicContact CZ2-CB 4.04Å; W39-E128 HydrophobicContact CZ2-CG 4.34Å; W39-V368 HydrophobicContact CD2-CG1 3.37Å; W39-V368 HydrophobicContact CE3-CG1 3.79Å; W39-V368 HydrophobicContact CG-CG1 3.87Å; W39-V368 HydrophobicContact CH2-CG1 3.94Å; W39-V368 WeakPolarHBondContact CH2-O 3.41Å; W39-V368 HydrophobicContact CZ2-CG1 3.55Å; W39-V368 HydrophobicContact CZ3-CG1 4.05Å; W39-V368 VanDerWaalsContact CZ3-O 3.3Å; W39-V368 WeakPolarHBondContact CZ3-O 3.42Å; W39-V369 HydrophobicContact CE3-CG1 4.07Å; W39-V369 HydrophobicContact CZ3-CG1 4.38Å
40	P	94.3	Very high	86.6	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.6	138.3	160.7	-23.4	33.8	0	0	0	110.4	E42 C43 F95 L151 Y152 V369 L376	P40-E42 HydrophobicContact CB-CG 4.26Å; P40-E42 VanDerWaalsContact CB-OE2 3.25Å; P40-E42 WeakPolarHBondContact CB-OE2 3.4Å; P40-E42 PolarHBondContact O-N 3.49Å; P40-C43 WeakPolarHBondContact O-CB 3.37Å; P40-C43 PolarHBondContact O-N 3.4Å; P40-F95 HydrophobicContact CB-CD2 4.5Å; P40-F95 HydrophobicContact CB-CE2 4.48Å; P40-F95 HydrophobicContact CG-CD2 4.43Å; P40-F95 HydrophobicContact CG-CE2 4.47Å; P40-L151 HydrophobicContact CG-CD1 4.06Å; P40-Y152 VanDerWaalsContact CB-OH 3.27Å; P40-Y152 WeakPolarHBondContact CB-OH 3.33Å; P40-Y152 WeakPolarHBondContact CG-OH 3.41Å; P40-V369 HydrophobicContact CG-CG1 4.01Å; P40-L376 HydrophobicContact CG-CD1 4.13Å; P40-L376 HydrophobicContact CG-CD2 4.08Å
41	E	91.1	Very high	88.5	Confident	44 Å²	44	65.1 Å²	65.1	21%	0.206	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.3	-173.1	176.5	172.7	-127.1	0	0	112.9	W39 C43 R97 R99 S103	W39-E41 PolarHBondContact O-N 3.24Å; E41-C43 VanDerWaalsContact C-N 3.3Å; E41-R97 HydrophobicContact CB-CG 4.42Å; E41-R97 PolarHBondContact N-O 2.87Å; E41-R97 IonicContact OE1-CZ 2.76Å; E41-R97 IonicContact OE1-NE 3.92Å; E41-R97 IonicContact OE1-NH2 3.37Å; E41-R97 PolarHBondContact OE1-NH2 3.07Å; E41-R97 IonicContact OE2-CZ 3.61Å; E41-R97 IonicContact OE2-NE 2.9Å; E41-R97 PolarHBondContact OE2-NE 2.85Å; E41-R97 IonicContact OE2-NH2 2.66Å; E41-R97 PolarHBondContact OE2-NH2 3.26Å; E41-R99 HydrophobicContact CB-CG 4.43Å; E41-R99 HydrophobicContact CG-CG 4.5Å; E41-R99 IonicContact OE1-CZ 3.39Å; E41-R99 IonicContact OE1-NE 3.97Å; E41-R99 IonicContact OE1-NH1 2.72Å; E41-R99 PolarHBondContact OE1-NH1 2.96Å; E41-S103 WeakPolarHBondContact O-CA 3.45Å; E41-S103 WeakPolarHBondContact O-CB 3.41Å; E41-S103 PolarHBondContact O-N 3.09Å; E41-S103 VanDerWaalsContact O-N 3.16Å
42	E	87.8	Confident	90.2	Very high	30 Å²	30	60.4 Å²	60.4	14%	0.14	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.6	176.3	65.1	-91.8	-141	0	0	113.8	P40 E44 H92 Y152	P40-E42 HydrophobicContact CB-CG 4.26Å; P40-E42 VanDerWaalsContact CB-OE2 3.25Å; P40-E42 WeakPolarHBondContact CB-OE2 3.4Å; P40-E42 PolarHBondContact O-N 3.49Å; E42-E44 PolarHBondContact O-N 3.25Å; E42-H92 IonicContact OE1-CD2 3.03Å; E42-Y152 WeakPolarHBondContact OE1-CE1 3.32Å; E42-Y152 PolarHBondContact OE1-OH 2.95Å
43	C	89.7	Confident	91	Very high	13 Å²	13	62.4 Å²	62.4	9%	0.088	32%	0.319	C	S	.	.			trans	-74.2	119.2	-179.6	-69.8	0	0	0	0	110.2	W39 P40 E41 G102 S103	W39-C43 HydrophobicContact CB-CB 4.41Å; W39-C43 HydrophobicContact CE3-CB 4.1Å; P40-C43 WeakPolarHBondContact O-CB 3.37Å; P40-C43 PolarHBondContact O-N 3.4Å; E41-C43 VanDerWaalsContact C-N 3.3Å; C43-G102 CarbonylContact O-C 3.6Å; C43-G102 WeakPolarHBondContact O-CA 3.38Å; C43-S103 PolarHBondContact O-N 2.91Å
44	E	88.6	Confident	91.3	Very high	29 Å²	29	61.9 Å²	61.9	14%	0.136	32%	0.316	C	S	.	.			trans	-72.6	133.7	165	-65.3	-175.8	174.2	0	0	109.7	E42 F88 T107 R126	E42-E44 PolarHBondContact O-N 3.25Å; E44-F88 WeakPolarHBondContact OE1-CE2 3.32Å; E44-T107 HydrophobicContact CB-CG2 4.44Å; E44-R126 WeakPolarHBondContact O-CB 3.24Å; E44-R126 IonicContact OE2-CZ 3.46Å; E44-R126 IonicContact OE2-NH1 3.29Å; E44-R126 PolarHBondContact OE2-NH1 3.38Å
45	V	89.4	Confident	91.5	Very high	27 Å²	27	62.5 Å²	62.5	16%	0.164	32%	0.318	C	S	.	.			trans	-133.1	130.6	-179.6	-169.1	0	0	0	0	108.5	W39 G101 R126	W39-V45 HydrophobicContact CB-CG2 4.43Å; W39-V45 HydrophobicContact CD2-CG2 3.48Å; W39-V45 VanDerWaalsContact CD2-CG2 3.48Å; W39-V45 HydrophobicContact CE3-CG2 3.69Å; W39-V45 HydrophobicContact CG-CG2 3.84Å; W39-V45 HydrophobicContact CH2-CG1 4.37Å; W39-V45 HydrophobicContact CH2-CG2 4.36Å; W39-V45 HydrophobicContact CZ2-CG1 3.9Å; W39-V45 HydrophobicContact CZ2-CG2 4.2Å; W39-V45 HydrophobicContact CZ3-CG2 4.12Å; V45-G101 WeakPolarHBondContact CB-O 3.48Å; V45-G101 WeakPolarHBondContact CG2-O 3.43Å; V45-R126 CarbonylContact C-O 3.57Å; V45-R126 WeakPolarHBondContact CA-O 3.34Å
46	I	90	Very high	91.6	Very high	23 Å²	23	63.2 Å²	63.2	12%	0.118	32%	0.316	C	S	.	.			trans	-69.6	154.3	174.8	69	-177.6	0	0	0	110.5	D48 I50 E124 R126 F127	I46-D48 VanDerWaalsContact C-N 3.29Å; I46-D48 HydrophobicContact CD1-CB 3.82Å; I46-D48 HydrophobicContact CG1-CB 4.07Å; I46-I50 HydrophobicContact CD1-CD1 4.27Å; I46-E124 HydrophobicContact CD1-CG 3.95Å; I46-E124 HydrophobicContact CG2-CG 4.19Å; I46-R126 WeakPolarHBondContact CG1-O 3.47Å; I46-R126 HydrophobicContact CG2-CB 4.2Å; I46-R126 PolarHBondContact N-O 3.24Å; I46-F127 HydrophobicContact CD1-CB 4.12Å; I46-F127 HydrophobicContact CD1-CD1 3.91Å; I46-F127 HydrophobicContact CG1-CB 4.13Å
47	S	83.5	Confident	91.7	Very high	120 Å²	120	54.6 Å²	54.6	84%	0.839	29%	0.285	S	S	*	.	S	Bend	trans	-76	-17	176.5	49.8	0	0	0	0	113.9	S49	S47-S49 PolarHBondContact O-N 2.9Å
48	D	83.4	Confident	91.7	Very high	73 Å²	73	59.4 Å²	59.4	39%	0.39	32%	0.317	S	S	.	.			trans	-61	127.6	-175.5	-60.2	-8.3	0	0	0	110.7	I46 I50 R163	I46-D48 VanDerWaalsContact C-N 3.29Å; I46-D48 HydrophobicContact CD1-CB 3.82Å; I46-D48 HydrophobicContact CG1-CB 4.07Å; D48-I50 PolarHBondContact O-N 2.71Å; D48-R163 IonicContact OD2-NH1 3.41Å; D48-R163 PolarHBondContact OD2-NH1 3.47Å
49	S	82.8	Confident	91.7	Very high	98 Å²	98	61.4 Å²	61.4	69%	0.685	33%	0.331	S	S	*	.			trans	-83.9	105.1	170.3	174.6	0	0	0	0	109.1	S47	S47-S49 PolarHBondContact O-N 2.9Å
50	I	92.6	Very high	91.7	Very high	38 Å²	38	63.1 Å²	63.1	20%	0.195	34%	0.344	C	S	.	.			trans	-86.7	121.5	176.9	-64.8	162.7	0	0	0	109.4	I46 D48 F127 Y161 Y252	I46-I50 HydrophobicContact CD1-CD1 4.27Å; D48-I50 PolarHBondContact O-N 2.71Å; I50-F127 HydrophobicContact CD1-CB 3.59Å; I50-F127 HydrophobicContact CD1-CD1 3.29Å; I50-F127 HydrophobicContact CD1-CD2 3.64Å; I50-F127 HydrophobicContact CD1-CE1 3.73Å; I50-F127 HydrophobicContact CD1-CE2 4.09Å; I50-F127 HydrophobicContact CD1-CG 3.21Å; I50-F127 HydrophobicContact CD1-CZ 4.11Å; I50-Y161 WeakPolarHBondContact CG2-OH 3.32Å; I50-Y252 HydrophobicContact CD1-CE1 3.85Å; I50-Y252 HydrophobicContact CG1-CE1 4.16Å; I50-Y252 HydrophobicContact CG2-CE1 3.79Å
51	Q	91.4	Very high	91.9	Very high	157 Å²	157	64.3 Å²	64.3	73%	0.734	35%	0.35	S	S	*	.			trans	-133.4	140.3	176.1	-66.5	-174.9	-5.5	0	0	109.2
52	H	96.3	Very high	92.2	Very high	40 Å²	40	65.7 Å²	65.7	19%	0.185	36%	0.362	C	S	.	.			trans	-115.9	141	175.5	-55.1	-58.9	0	0	0	108.4	Y161 Y196 W208 Y252	H52-Y161 AromaticContact NE2-CZ 3.69Å; H52-Y161 PolarHBondContact NE2-OH 3.43Å; H52-Y196 HydrophobicContact CB-CD2 4.07Å; H52-Y196 HydrophobicContact CB-CE2 3.68Å; H52-Y196 AromaticContact ND1-CD1 3.37Å; H52-Y196 WeakPolarHBondContact ND1-CD1 3.12Å; H52-Y196 AromaticContact ND1-CD2 3.76Å; H52-Y196 AromaticContact ND1-CE1 3.45Å; H52-Y196 WeakPolarHBondContact ND1-CE1 3.37Å; H52-Y196 AromaticContact ND1-CE2 3.86Å; H52-Y196 AromaticContact ND1-CG 3.52Å; H52-Y196 AromaticContact ND1-CZ 3.7Å; H52-W208 AromaticContact CD2-CE2 3.94Å; H52-W208 AromaticContact CD2-CZ2 3.8Å; H52-W208 AromaticContact CD2-NE1 3.47Å; H52-W208 PolarHBondContact CD2-NE1 3.48Å; H52-W208 AromaticContact CE1-CZ2 3.83Å; H52-W208 AromaticContact CG-CE2 3.92Å; H52-W208 AromaticContact CG-NE1 3.27Å; H52-W208 VanDerWaalsContact CG-NE1 3.27Å; H52-W208 AromaticContact ND1-NE1 3.91Å; H52-W208 AromaticContact NE2-CZ2 3.64Å; H52-Y252 AromaticContact CE1-CD2 3.76Å; H52-Y252 AromaticContact CE1-CE2 3.97Å; H52-Y252 AromaticContact CE1-CG 3.95Å
53	I	96.9	Very high	92.7	Very high	68 Å²	68	65.5 Å²	65.5	35%	0.349	36%	0.361	S	S	.	.			trans	-66.7	146.9	171.3	66.7	174.7	0	0	0	110.4	W55 Y196 A201 G205	I53-W55 HydrophobicContact CG1-CB 4.42Å; I53-Y196 HydrophobicContact CG1-CE2 4.1Å; I53-Y196 PolarHBondContact N-OH 3.25Å; I53-A201 HydrophobicContact CD1-CB 3.89Å; I53-A201 HydrophobicContact CG1-CB 4.26Å; I53-G205 WeakPolarHBondContact CD1-O 3.43Å
54	D	94.9	Very high	93	Very high	96 Å²	96	65.9 Å²	65.9	51%	0.513	36%	0.361	S	S	.	.			trans	-74.8	127.9	166	-73.6	-5.2	0	0	0	108.1	R263	D54-R263 IonicContact OD1-CZ 2.68Å; D54-R263 IonicContact OD1-NH1 3.95Å; D54-R263 PolarHBondContact OD1-NH1 2.9Å; D54-R263 IonicContact OD1-NH2 2.98Å; D54-R263 PolarHBondContact OD1-NH2 3.22Å; D54-R263 IonicContact OD2-CZ 3.65Å; D54-R263 IonicContact OD2-NH1 2.91Å; D54-R263 IonicContact OD2-NH2 3.1Å; D54-R263 PolarHBondContact OD2-NH2 3.39Å
55	W	96.4	Very high	93.1	Very high	63 Å²	63	73.2 Å²	73.2	24%	0.239	39%	0.392	C	S	.	.			trans	-155.9	143.5	-177.6	177.8	82.2	0	0	0	109.9	I53 P57 G205 V206 G207 W208 H209	I53-W55 HydrophobicContact CG1-CB 4.42Å; W55-P57 VanDerWaalsContact CH2-CA 3.43Å; W55-P57 HydrophobicContact CH2-CB 3.61Å; W55-P57 HydrophobicContact CZ2-CB 4.32Å; W55-P57 HydrophobicContact CZ3-CB 3.83Å; W55-P57 HydrophobicContact CZ3-CG 4.38Å; W55-G205 PolarHBondContact NE1-O 3.44Å; W55-V206 HydrophobicContact CH2-CG1 4.12Å; W55-V206 HydrophobicContact CZ2-CG1 3.99Å; W55-G207 VanDerWaalsContact CD2-N 3.33Å; W55-G207 VanDerWaalsContact CG-N 3.27Å; W55-W208 VanDerWaalsContact CE3-O 3.3Å; W55-W208 WeakPolarHBondContact CZ3-O 3Å; W55-H209 HydrophobicContact CH2-CB 4.15Å; W55-H209 HydrophobicContact CZ3-CB 3.8Å
56	E	95.2	Very high	92.7	Very high	72 Å²	72	75.5 Å²	75.5	34%	0.336	41%	0.408	S	S	.	.			trans	-122	133.5	175.9	-72.6	-71.4	130	0	0	108.5	T508 T509 G510	E56-T508 WeakPolarHBondContact OE2-CB 2.93Å; E56-T508 PolarHBondContact OE2-OG1 2.89Å; E56-T509 WeakPolarHBondContact OE1-CA 3.48Å; E56-T509 WeakPolarHBondContact OE1-CB 3.31Å; E56-T509 PolarHBondContact OE1-N 2.93Å; E56-T509 PolarHBondContact OE1-OG1 3.4Å; E56-G510 VanDerWaalsContact CD-N 3.26Å; E56-G510 PolarHBondContact OE1-N 3.39Å; E56-G510 PolarHBondContact OE2-N 3.47Å
57	P	95.5	Very high	92.1	Very high	18 Å²	18	77.5 Å²	77.5	12%	0.117	42%	0.424	C	S	.	.			trans	-62.7	137.5	175.8	27.3	-33.7	0	0	0	109.6	W55 E59 E61 T508	W55-P57 VanDerWaalsContact CH2-CA 3.43Å; W55-P57 HydrophobicContact CH2-CB 3.61Å; W55-P57 HydrophobicContact CZ2-CB 4.32Å; W55-P57 HydrophobicContact CZ3-CB 3.83Å; W55-P57 HydrophobicContact CZ3-CG 4.38Å; P57-E59 PolarHBondContact O-N 3.47Å; P57-E61 HydrophobicContact CB-CG 4Å; P57-E61 HydrophobicContact CG-CG 3.95Å; P57-T508 HydrophobicContact CG-CG2 3.52Å
58	P	94.8	Very high	91.7	Very high	116 Å²	116	83.1 Å²	83.1	75%	0.753	43%	0.427	S	S	*	.	S	Bend	trans	-63.1	-28.9	-178.5	25.1	-34.2	0	0	0	112
59	E	95.5	Very high	91.3	Very high	144 Å²	144	90.4 Å²	90.4	67%	0.673	45%	0.449	S	S	*	.	S	Bend	trans	-122.3	148.1	178.3	-67.1	-60.3	149.5	0	0	111.2	P57 E61	P57-E59 PolarHBondContact O-N 3.47Å; E59-E61 PolarHBondContact O-N 3.36Å
60	P	96.3	Very high	91.1	Very high	56 Å²	56	86.8 Å²	86.8	36%	0.364	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-59.5	124.3	177.1	-22.5	33.7	0	0	0	112.6	P62 T505	P60-P62 WeakPolarHBondContact O-CD 3.46Å; P60-T505 HydrophobicContact CB-CG2 3.72Å
61	E	97.6	Very high	90.2	Very high	25 Å²	25	88.6 Å²	88.6	12%	0.117	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-76.9	121.8	-176.5	-62	-175.5	99.4	0	0	112	P57 E59 H209 R210 T505 H506	P57-E61 HydrophobicContact CB-CG 4Å; P57-E61 HydrophobicContact CG-CG 3.95Å; E59-E61 PolarHBondContact O-N 3.36Å; E61-H209 WeakPolarHBondContact OE1-CB 3.19Å; E61-R210 HydrophobicContact CB-CB 4.32Å; E61-R210 HydrophobicContact CB-CG 4.26Å; E61-R210 WeakPolarHBondContact OE1-CB 3.43Å; E61-R210 PolarHBondContact OE1-N 3.32Å; E61-R210 WeakPolarHBondContact OE2-CG 3.39Å; E61-R210 PolarHBondContact OE2-N 3.19Å; E61-T505 CarbonylContact O-C 3.2Å; E61-T505 WeakPolarHBondContact O-CA 3.45Å; E61-H506 HydrophobicContact CB-CB 4.44Å; E61-H506 PolarHBondContact O-N 2.95Å; E61-H506 PolarHBondContact O-ND1 3.05Å; E61-H506 VanDerWaalsContact O-ND1 3.08Å
62	P	97.6	Very high	89.4	Confident	73 Å²	73	84.6 Å²	84.6	47%	0.474	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-73.2	151.9	-173.5	29.8	-36	0	0	0	112.7	P60 H506	P60-P62 WeakPolarHBondContact O-CD 3.46Å; P62-H506 PolarHBondContact O-CE1 2.99Å; P62-H506 PolarHBondContact O-ND1 3.32Å
63	F	97.6	Very high	88	Confident	26 Å²	26	84.9 Å²	84.9	11%	0.114	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-58.1	147.2	167.1	-71	-9.7	0	0	0	111.4	K65 G190 H425 T498 G504 T505 H506	F63-K65 PolarHBondContact O-N 3Å; F63-G190 CarbonylContact C-O 3.46Å; F63-G190 WeakPolarHBondContact CA-O 3.37Å; F63-H425 AromaticContact CE2-CE1 3.57Å; F63-H425 AromaticContact CE2-NE2 3.66Å; F63-H425 AromaticContact CZ-CE1 3.42Å; F63-H425 VanDerWaalsContact CZ-CE1 3.42Å; F63-H425 WeakPolarHBondContact CZ-CE1 3.17Å; F63-H425 AromaticContact CZ-ND1 3.6Å; F63-T498 HydrophobicContact CE2-CG2 4.21Å; F63-G504 WeakPolarHBondContact CG-O 3.28Å; F63-G504 PolarHBondContact N-O 3.48Å; F63-T505 WeakPolarHBondContact CE1-O 3.38Å; F63-T505 WeakPolarHBondContact CZ-O 3.47Å; F63-H506 AromaticContact CD1-CE1 3.71Å; F63-H506 AromaticContact CD1-CG 3.96Å; F63-H506 AromaticContact CD1-ND1 3.75Å; F63-H506 AromaticContact CD1-NE2 3.87Å
64	Y	96.3	Very high	86.3	Confident	22 Å²	22	85.8 Å²	85.8	9%	0.086	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-61.7	133.4	164.6	-177.3	-111.9	0	0	0	110	P66 E70 G190 N214 I215	Y64-P66 HydrophobicContact CD1-CG 4.29Å; Y64-P66 HydrophobicContact CE1-CB 4.39Å; Y64-P66 HydrophobicContact CE1-CG 4.36Å; Y64-P66 WeakPolarHBondContact O-CD 3.29Å; Y64-E70 PolarHBondContact OH-OE1 3.41Å; Y64-G190 PolarHBondContact N-O 2.63Å; Y64-G190 WeakPolarHBondContact O-CA 3.34Å; Y64-N214 WeakPolarHBondContact OH-CA 3.26Å; Y64-N214 PolarHBondContact OH-N 3.42Å; Y64-N214 VanDerWaalsContact OH-N 3.17Å; Y64-I215 HydrophobicContact CD1-CB 3.85Å; Y64-I215 HydrophobicContact CD1-CD1 4.37Å; Y64-I215 HydrophobicContact CD1-CG1 4.28Å; Y64-I215 HydrophobicContact CD2-CD1 4.42Å; Y64-I215 HydrophobicContact CE1-CB 3.93Å; Y64-I215 HydrophobicContact CE1-CG1 4.46Å; Y64-I215 HydrophobicContact CG-CB 4.39Å; Y64-I215 HydrophobicContact CG-CD1 4.06Å; Y64-I215 HydrophobicContact CG-CG1 4.33Å
65	K	91.4	Very high	84.4	Confident	182 Å²	182	85.8 Å²	85.8	79%	0.791	45%	0.446	S	S	*	.			trans	-103.4	108.1	174.3	-67.7	-177.4	-178.5	176.9	0	107.7	F63 S67	F63-K65 PolarHBondContact O-N 3Å; K65-S67 PolarHBondContact O-N 3.14Å
66	P	81.8	Confident	82.5	Confident	76 Å²	76	85.4 Å²	85.4	49%	0.494	46%	0.456	S	S	.	.			trans	-59.8	131	178.2	-23.8	34	0	0	0	111.2	Y64 E70	Y64-P66 HydrophobicContact CD1-CG 4.29Å; Y64-P66 HydrophobicContact CE1-CB 4.39Å; Y64-P66 HydrophobicContact CE1-CG 4.36Å; Y64-P66 WeakPolarHBondContact O-CD 3.29Å; P66-E70 VanDerWaalsContact C-OE1 3.26Å; P66-E70 WeakPolarHBondContact CA-OE1 3.32Å; P66-E70 WeakPolarHBondContact CB-OE1 3.4Å
67	S	77.3	Confident	80.5	Confident	65 Å²	65	90.5 Å²	90.5	46%	0.455	49%	0.486	S	S	.	.			trans	-84.9	-10.7	177.3	69.4	0	0	0	0	112.9	K65 R69 E70	K65-S67 PolarHBondContact O-N 3.14Å; S67-R69 PolarHBondContact O-N 2.78Å; S67-R69 PolarHBondContact OG-N 2.9Å; S67-E70 PolarHBondContact N-OE1 3.48Å; S67-E70 PolarHBondContact OG-OE1 3.11Å
68	R	74.9	Confident	79	Confident	237 Å²	237	91.7 Å²	91.7	89%	0.894	50%	0.502	S	S	*	.	S	Bend	trans	61.8	10.1	-169.7	-54.6	-175.4	177.2	-169.2	-0.6	114.1	E70	R68-E70 VanDerWaalsContact C-OE2 3.27Å; R68-E70 WeakPolarHBondContact CA-OE2 2.96Å; R68-E70 PolarHBondContact N-OE1 3.43Å; R68-E70 PolarHBondContact N-OE2 3.17Å
69	R	74.4	Confident	77.8	Confident	226 Å²	226	92.3 Å²	92.3	85%	0.853	51%	0.506	S	S	*	.			trans	-119	16.3	178.5	-62.3	-176.4	-178.9	-176	-0.2	111.6	S67 S71	S67-R69 PolarHBondContact O-N 2.78Å; S67-R69 PolarHBondContact OG-N 2.9Å; R69-S71 PolarHBondContact O-N 3.45Å; R69-S71 VanDerWaalsContact O-N 3.13Å
70	E	79.2	Confident	77.1	Confident	23 Å²	23	86.9 Å²	86.9	11%	0.107	49%	0.488	C	S	.	.			trans	-63.7	113.2	178.6	-61.5	84.9	173.4	0	0	109.7	Y64 P66 S67 R68 N214	Y64-E70 PolarHBondContact OH-OE1 3.41Å; P66-E70 VanDerWaalsContact C-OE1 3.26Å; P66-E70 WeakPolarHBondContact CA-OE1 3.32Å; P66-E70 WeakPolarHBondContact CB-OE1 3.4Å; S67-E70 PolarHBondContact N-OE1 3.48Å; S67-E70 PolarHBondContact OG-OE1 3.11Å; R68-E70 VanDerWaalsContact C-OE2 3.27Å; R68-E70 WeakPolarHBondContact CA-OE2 2.96Å; R68-E70 PolarHBondContact N-OE1 3.43Å; R68-E70 PolarHBondContact N-OE2 3.17Å; E70-N214 HydrophobicContact CG-CB 4.46Å
71	S	73.3	Confident	76.7	Confident	75 Å²	75	88.2 Å²	88.2	52%	0.524	49%	0.492	S	S	.	.			trans	-70.5	140.8	176.8	56.9	0	0	0	0	110.7	R69	R69-S71 PolarHBondContact O-N 3.45Å; R69-S71 VanDerWaalsContact O-N 3.13Å
72	L	74.2	Confident	76.4	Confident	73 Å²	73	88.8 Å²	88.8	38%	0.382	50%	0.498	S	S	.	.			trans	-78.1	175.4	166.5	-66.2	174.3	0	0	0	110.2	F218	L72-F218 HydrophobicContact CD2-CD1 4.04Å; L72-F218 HydrophobicContact CD2-CE1 3.54Å; L72-F218 HydrophobicContact CD2-CE2 4.12Å; L72-F218 HydrophobicContact CD2-CZ 3.59Å
73	L	68.1	Low	76.1	Confident	47 Å²	47	85.7 Å²	85.7	25%	0.246	48%	0.477	C	S	.	.			trans	-43	129.1	165.5	-75.9	145	0	0	0	109.5	V138 E144 R174 T176	L73-V138 HydrophobicContact CD2-CG2 3.73Å; L73-E144 HydrophobicContact CD1-CG 4.26Å; L73-E144 WeakPolarHBondContact CD1-OE1 3.49Å; L73-E144 HydrophobicContact CD2-CG 4.25Å; L73-R174 VanDerWaalsContact CD2-CZ 3.42Å; L73-T176 HydrophobicContact CD1-CG2 3.87Å
74	P	60.1	Low	75.8	Confident	87 Å²	87	84.5 Å²	84.5	57%	0.565	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-54.6	143.5	157.7	-16.7	30.5	0	0	0	108.2	A76	P74-A76 PolarHBondContact O-N 3.27Å
75	A	55.2	Low	75.6	Confident	95 Å²	95	84.9 Å²	84.9	79%	0.785	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-54	129	173	0	0	0	0	0	108.7	D77	A75-D77 PolarHBondContact O-N 3.01Å
76	A	57	Low	75.3	Confident	55 Å²	55	77.2 Å²	77.2	46%	0.455	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-69.6	130.6	-178.1	0	0	0	0	0	110.1	P74 G78	P74-A76 PolarHBondContact O-N 3.27Å; A76-G78 PolarHBondContact O-N 3.3Å
77	D	52.7	Low	74.6	Confident	179 Å²	179	78 Å²	78	96%	0.957	45%	0.447	S	S	*	.	S	Bend	trans	-79.7	53.2	172.7	-79.1	-26.7	0	0	0	111.1	A75	A75-D77 PolarHBondContact O-N 3.01Å
78	G	63.5	Low	73.8	Confident	43 Å²	43	78.2 Å²	78.2	44%	0.443	44%	0.44	S	S	.	.	S	Bend	trans	122.9	-178.8	176.1	0	0	0	0	0	115.5	A76 G80	A76-G78 PolarHBondContact O-N 3.3Å; G78-G80 PolarHBondContact O-N 3.4Å
79	P	69.1	Low	72.6	Confident	130 Å²	130	67.7 Å²	67.7	84%	0.844	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-68.1	121.2	-179	27.7	-32.5	0	0	0	110.3
80	G	81.7	Confident	71.8	Confident	29 Å²	29	60.9 Å²	60.9	30%	0.299	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-64.5	159.2	178.8	0	0	0	0	0	113.7	G78 Q137	G78-G80 PolarHBondContact O-N 3.4Å; G80-Q137 CarbonylContact C-O 3.57Å; G80-Q137 WeakPolarHBondContact CA-O 3.36Å
81	N	88.6	Confident	71.1	Confident	84 Å²	84	66.3 Å²	66.3	45%	0.449	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.8	-178.2	-67.3	-36.5	0	0	0	111.1	V83 V136 Q137	N81-V83 PolarHBondContact O-N 2.7Å; N81-V136 CarbonylContact O-C 3.5Å; N81-V136 WeakPolarHBondContact O-CA 3.42Å; N81-Q137 PolarHBondContact N-O 3.25Å; N81-Q137 PolarHBondContact O-N 3.41Å
82	V	90.8	Very high	71.3	Confident	38 Å²	38	66.8 Å²	66.8	23%	0.23	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	111.4	174.1	-176.4	0	0	0	0	109.2	C85 L113 K134 V136	V82-C85 HydrophobicContact CG1-CB 4.14Å; V82-L113 HydrophobicContact CB-CD1 4.19Å; V82-L113 HydrophobicContact CG1-CD1 4.33Å; V82-K134 HydrophobicContact CG1-CG 4.36Å; V82-V136 HydrophobicContact CG2-CG2 4.24Å
83	V	91.1	Very high	71.8	Confident	7 Å²	7	69.2 Å²	69.2	4%	0.042	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-14.9	-178.5	-64.1	0	0	0	0	112.9	N81 F123 A135 Q137 Y143	N81-V83 PolarHBondContact O-N 2.7Å; V83-F123 HydrophobicContact CG2-CD2 3.95Å; V83-F123 HydrophobicContact CG2-CE2 3.78Å; V83-A135 HydrophobicContact CG2-CB 4Å; V83-A135 WeakPolarHBondContact CG2-O 3.49Å; V83-A135 PolarHBondContact N-O 2.89Å; V83-Q137 HydrophobicContact CG1-CB 4Å; V83-Y143 HydrophobicContact CG2-CD1 4.21Å; V83-Y143 HydrophobicContact CG2-CE1 4.05Å
84	Y	92.1	Very high	72.8	Confident	1 Å²	1	72 Å²	72	0%	0.004	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	137.9	173.8	174.7	-99.8	0	0	0	110.6	A110 F123 S125 L132 K134 A135	Y84-A110 HydrophobicContact CD2-CB 3.78Å; Y84-A110 HydrophobicContact CE2-CB 4.23Å; Y84-F123 HydrophobicContact CD1-CB 4.11Å; Y84-F123 HydrophobicContact CD2-CB 4.05Å; Y84-F123 WeakPolarHBondContact CD2-O 3.5Å; Y84-F123 WeakPolarHBondContact CE2-O 3.39Å; Y84-F123 HydrophobicContact CG-CB 3.71Å; Y84-S125 PolarHBondContact OH-N 2.93Å; Y84-S125 VanDerWaalsContact OH-N 3.14Å; Y84-S125 PolarHBondContact OH-OG 2.77Å; Y84-L132 HydrophobicContact CD1-CD2 3.84Å; Y84-L132 HydrophobicContact CD1-CG 4.1Å; Y84-L132 HydrophobicContact CE1-CB 4.23Å; Y84-L132 HydrophobicContact CE1-CD2 3.94Å; Y84-L132 HydrophobicContact CE1-CG 3.94Å; Y84-K134 CarbonylContact O-C 3.56Å; Y84-K134 WeakPolarHBondContact O-CA 3.44Å; Y84-A135 PolarHBondContact N-O 3.19Å; Y84-A135 PolarHBondContact O-N 3.14Å
85	C	90.8	Very high	74.3	Confident	31 Å²	31	69.1 Å²	69.1	21%	0.209	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	131.8	172.4	-149	0	0	0	0	110.8	V82 D87 Q133	V82-C85 HydrophobicContact CG1-CB 4.14Å; C85-D87 PolarHBondContact SG-OD1 3.21Å; C85-Q133 CarbonylContact C-O 3.48Å; C85-Q133 WeakPolarHBondContact CA-O 3.26Å
86	S	85.3	Confident	76	Confident	21 Å²	21	68.2 Å²	68.2	15%	0.147	39%	0.388	C	S	.	.			trans	-117.5	81.4	176.1	170.6	0	0	0	0	109.5	F88 Q133	S86-F88 PolarHBondContact O-N 3.06Å; S86-Q133 PolarHBondContact N-O 3.29Å
87	D	66.8	Low	77.7	Confident	91 Å²	91	73 Å²	73	49%	0.487	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-78.3	-10.9	-170.8	-70.4	-27.9	0	0	0	115.4	C85 A89 T90	C85-D87 PolarHBondContact SG-OD1 3.21Å; D87-A89 PolarHBondContact O-N 3.42Å; D87-T90 PolarHBondContact O-OG1 3.24Å
88	F	60.2	Low	79.7	Confident	71 Å²	71	65.5 Å²	65.5	31%	0.311	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-81.8	-18	-165	-66.2	-83	0	0	0	114.7	E44 S86 T90 K91	E44-F88 WeakPolarHBondContact OE1-CE2 3.32Å; S86-F88 PolarHBondContact O-N 3.06Å; F88-T90 VanDerWaalsContact C-N 3.28Å; F88-T90 PolarHBondContact O-N 3.04Å; F88-K91 HydrophobicContact CD1-CD 4.25Å; F88-K91 VanDerWaalsContact CE1-NZ 3.28Å
89	A	51.3	Low	81.1	Confident	15 Å²	15	66 Å²	66	12%	0.124	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-76.9	-8.9	-173.2	0	0	0	0	0	114.8	D87 R148 L151	D87-A89 PolarHBondContact O-N 3.42Å; A89-R148 VanDerWaalsContact CB-CD 3.41Å; A89-R148 HydrophobicContact CB-CG 4.4Å; A89-L151 HydrophobicContact CB-CD2 3.74Å
90	T	56.1	Low	82.2	Confident	84 Å²	84	63.4 Å²	63.4	52%	0.515	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-108.8	3.4	-177.5	54	0	0	0	0	113.9	D87 F88 H92	D87-T90 PolarHBondContact O-OG1 3.24Å; F88-T90 VanDerWaalsContact C-N 3.28Å; F88-T90 PolarHBondContact O-N 3.04Å; T90-H92 VanDerWaalsContact C-N 3.3Å; T90-H92 PolarHBondContact O-N 3.37Å
91	K	65.4	Low	82.4	Confident	136 Å²	136	63.7 Å²	63.7	59%	0.591	33%	0.329	S	S	*	.	S	Bend	trans	-73.9	-19.8	-177.6	-68.2	-173.3	179	-178.6	0	114.1	F88	F88-K91 HydrophobicContact CD1-CD 4.25Å; F88-K91 VanDerWaalsContact CE1-NZ 3.28Å
92	H	77.8	Confident	82.3	Confident	86 Å²	86	59.8 Å²	59.8	40%	0.398	31%	0.309	S	S	.	.			trans	-118.1	129.9	-176.1	-62.9	-70.9	0	0	0	110.8	E42 T90 Y94 Y152	E42-H92 IonicContact OE1-CD2 3.03Å; T90-H92 VanDerWaalsContact C-N 3.3Å; T90-H92 PolarHBondContact O-N 3.37Å; H92-Y94 VanDerWaalsContact C-N 3.29Å; H92-Y94 PolarHBondContact O-N 2.94Å; H92-Y152 HydrophobicContact CB-CE1 4.28Å
93	L	83.7	Confident	82	Confident	124 Å²	124	60.1 Å²	60.1	65%	0.649	31%	0.313	S	S	*	.	S	Bend	trans	-74.8	-19.4	178.9	-64.7	173.6	0	0	0	112.9
94	Y	88.9	Confident	81	Confident	105 Å²	105	69.7 Å²	69.7	41%	0.412	35%	0.348	S	S	.	.	S	Bend	trans	-152.2	156.4	-178.4	57.9	-93	0	0	0	112.2	H92 T96 Y152 H586	H92-Y94 VanDerWaalsContact C-N 3.29Å; H92-Y94 PolarHBondContact O-N 2.94Å; Y94-T96 HydrophobicContact CD2-CG2 4.2Å; Y94-T96 HydrophobicContact CE2-CG2 3.92Å; Y94-Y152 VanDerWaalsContact C-CE1 3.42Å; Y94-Y152 VanDerWaalsContact CA-CD1 3.46Å; Y94-Y152 WeakPolarHBondContact O-CE1 3.41Å; Y94-H586 HydrophobicContact CD1-CB 4.46Å; Y94-H586 HydrophobicContact CD2-CB 3.75Å; Y94-H586 HydrophobicContact CE2-CB 4.23Å; Y94-H586 HydrophobicContact CG-CB 3.89Å
95	F	92.8	Very high	79.7	Confident	26 Å²	26	71.9 Å²	71.9	11%	0.114	37%	0.372	C	S	.	.			trans	-64.1	133.4	175.3	175.7	-102.7	0	0	0	111.7	P40 R97 Y152 L290 L376	P40-F95 HydrophobicContact CB-CD2 4.5Å; P40-F95 HydrophobicContact CB-CE2 4.48Å; P40-F95 HydrophobicContact CG-CD2 4.43Å; P40-F95 HydrophobicContact CG-CE2 4.47Å; F95-R97 WeakPolarHBondContact CE2-O 3.34Å; F95-R97 VanDerWaalsContact CZ-C 3.46Å; F95-Y152 HydrophobicContact CB-CD2 3.98Å; F95-Y152 HydrophobicContact CB-CE1 4.45Å; F95-Y152 HydrophobicContact CB-CE2 3.56Å; F95-Y152 HydrophobicContact CD2-CE2 4.08Å; F95-Y152 HydrophobicContact CG-CE2 4.31Å; F95-L290 HydrophobicContact CB-CD2 4.47Å; F95-L290 HydrophobicContact CD1-CD1 4.23Å; F95-L290 HydrophobicContact CD1-CD2 3.9Å; F95-L290 HydrophobicContact CD1-CG 3.67Å; F95-L290 HydrophobicContact CE1-CD1 4.34Å; F95-L290 HydrophobicContact CE1-CG 3.87Å; F95-L290 WeakPolarHBondContact CE1-O 3.49Å; F95-L290 HydrophobicContact CG-CD2 4.4Å; F95-L376 HydrophobicContact CB-CB 4.14Å; F95-L376 WeakPolarHBondContact CB-O 2.98Å; F95-L376 HydrophobicContact CD2-CB 4.1Å; F95-L376 HydrophobicContact CD2-CD1 3.74Å; F95-L376 HydrophobicContact CD2-CG 4.47Å; F95-L376 HydrophobicContact CE2-CD1 3.71Å; F95-L376 HydrophobicContact CG-CB 4.09Å; F95-L376 HydrophobicContact CG-CD1 4.43Å; F95-L376 HydrophobicContact CZ-CD1 4.39Å
96	T	91	Very high	78.2	Confident	77 Å²	77	75.6 Å²	75.6	47%	0.472	40%	0.398	S	S	.	.			trans	-111.5	-58.5	178.9	56	0	0	0	0	112.1	Y94	Y94-T96 HydrophobicContact CD2-CG2 4.2Å; Y94-T96 HydrophobicContact CE2-CG2 3.92Å
97	R	92.4	Very high	77	Confident	155 Å²	155	77.5 Å²	77.5	59%	0.585	41%	0.408	S	S	*	.			trans	-157.5	164.8	179.9	63.7	-175.5	-174.9	178.3	3	111.8	E41 F95	E41-R97 HydrophobicContact CB-CG 4.42Å; E41-R97 PolarHBondContact N-O 2.87Å; E41-R97 IonicContact OE1-CZ 2.76Å; E41-R97 IonicContact OE1-NE 3.92Å; E41-R97 IonicContact OE1-NH2 3.37Å; E41-R97 PolarHBondContact OE1-NH2 3.07Å; E41-R97 IonicContact OE2-CZ 3.61Å; E41-R97 IonicContact OE2-NE 2.9Å; E41-R97 PolarHBondContact OE2-NE 2.85Å; E41-R97 IonicContact OE2-NH2 2.66Å; E41-R97 PolarHBondContact OE2-NH2 3.26Å; F95-R97 WeakPolarHBondContact CE2-O 3.34Å; F95-R97 VanDerWaalsContact CZ-C 3.46Å
98	S	94.7	Very high	76.4	Confident	21 Å²	21	75 Å²	75	15%	0.147	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	158.6	-179.8	74.4	0	0	0	0	113.3	R38 W39 G291	R38-S98 PolarHBondContact NE-OG 3.35Å; R38-S98 PolarHBondContact NH2-O 3.23Å; R38-S98 VanDerWaalsContact NH2-O 3.09Å; W39-S98 CarbonylContact O-C 3.58Å; W39-S98 WeakPolarHBondContact O-CA 3.29Å; W39-S98 WeakPolarHBondContact O-CB 3.47Å; S98-G291 VanDerWaalsContact CB-O 3.25Å; S98-G291 WeakPolarHBondContact CB-O 3.05Å; S98-G291 PolarHBondContact OG-O 2.69Å
99	R	93.6	Very high	75.8	Confident	54 Å²	54	76.2 Å²	76.2	20%	0.204	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	159.5	172.6	69.7	-164.9	-55.6	161.9	34	112.2	R38 W39 E41 G101 G102 R104	R38-R99 WeakPolarHBondContact CA-O 3.27Å; W39-R99 PolarHBondContact N-O 2.58Å; W39-R99 PolarHBondContact O-N 2.65Å; E41-R99 HydrophobicContact CB-CG 4.43Å; E41-R99 HydrophobicContact CG-CG 4.5Å; E41-R99 IonicContact OE1-CZ 3.39Å; E41-R99 IonicContact OE1-NE 3.97Å; E41-R99 IonicContact OE1-NH1 2.72Å; E41-R99 PolarHBondContact OE1-NH1 2.96Å; R99-G101 PolarHBondContact O-N 2.96Å; R99-G102 WeakPolarHBondContact CD-O 3.5Å; R99-G102 WeakPolarHBondContact CG-O 3.3Å; R99-G102 PolarHBondContact O-N 2.93Å; R99-R104 VanDerWaalsContact CZ-NE 3.33Å
100	V	92.3	Very high	75.8	Confident	75 Å²	75	76 Å²	76	46%	0.455	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	125.5	173.2	177	0	0	0	0	109.1	R36 R38 G102	R36-V100 HydrophobicContact CB-CG1 3.62Å; R38-V100 HydrophobicContact CG-CG2 4.18Å; V100-G102 VanDerWaalsContact C-N 3.33Å; V100-G102 PolarHBondContact O-N 2.9Å
101	G	84.8	Confident	75.4	Confident	35 Å²	35	79 Å²	79	36%	0.361	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	4.1	177.1	0	0	0	0	0	116.7	P37 V45 R99	P37-G101 PolarHBondContact O-N 2.89Å; V45-G101 WeakPolarHBondContact CB-O 3.48Å; V45-G101 WeakPolarHBondContact CG2-O 3.43Å; R99-G101 PolarHBondContact O-N 2.96Å
102	G	87.5	Confident	74.6	Confident	3 Å²	3	76.6 Å²	76.6	3%	0.031	41%	0.408	C	S	.	.	S	Bend	trans	71.6	-147.3	177.8	0	0	0	0	0	113.6	C43 R99 V100	C43-G102 CarbonylContact O-C 3.6Å; C43-G102 WeakPolarHBondContact O-CA 3.38Å; R99-G102 WeakPolarHBondContact CD-O 3.5Å; R99-G102 WeakPolarHBondContact CG-O 3.3Å; R99-G102 PolarHBondContact O-N 2.93Å; V100-G102 VanDerWaalsContact C-N 3.33Å; V100-G102 PolarHBondContact O-N 2.9Å
103	S	84.6	Confident	73.3	Confident	45 Å²	45	78.1 Å²	78.1	32%	0.315	42%	0.418	S	S	.	.			trans	-56.2	144.9	-172.5	-178.5	0	0	0	0	113.6	E41 C43 G105	E41-S103 WeakPolarHBondContact O-CA 3.45Å; E41-S103 WeakPolarHBondContact O-CB 3.41Å; E41-S103 PolarHBondContact O-N 3.09Å; E41-S103 VanDerWaalsContact O-N 3.16Å; C43-S103 PolarHBondContact O-N 2.91Å; S103-G105 PolarHBondContact OG-N 3.36Å
104	R	69.3	Low	71.6	Confident	207 Å²	207	76.7 Å²	76.7	78%	0.781	42%	0.415	S	S	*	.			trans	-89.1	-9.1	174.9	-82.3	-175.9	178	-175.7	4	113.8	R99	R99-R104 VanDerWaalsContact CZ-NE 3.33Å
105	G	65.1	Low	69.5	Low	48 Å²	48	77.9 Å²	77.9	50%	0.495	43%	0.433	S	S	.	.	S	Bend	trans	-64.4	161.4	179.7	0	0	0	0	0	111.2	S103 T107	S103-G105 PolarHBondContact OG-N 3.36Å; G105-T107 PolarHBondContact O-N 3.08Å; G105-T107 VanDerWaalsContact O-N 3.09Å
106	S	59.6	Low	67.5	Low	108 Å²	108	78.8 Å²	78.8	76%	0.755	44%	0.442	S	S	*	.			trans	-52	123.5	160.6	-175.4	0	0	0	0	106.3	S108	S106-S108 PolarHBondContact O-N 3.39Å
107	T	60.1	Low	65.8	Low	61 Å²	61	78.4 Å²	78.4	37%	0.374	44%	0.441	S	S	.	.			trans	-53.6	102.8	162.5	34.5	0	0	0	0	104.3	E44 G105 C109	E44-T107 HydrophobicContact CB-CG2 4.44Å; G105-T107 PolarHBondContact O-N 3.08Å; G105-T107 VanDerWaalsContact O-N 3.09Å; T107-C109 PolarHBondContact O-N 3.17Å
108	S	52.4	Low	64.5	Low	39 Å²	39	78.2 Å²	78.2	27%	0.273	45%	0.451	S	S	.	.			trans	-59.2	121.1	175.8	64.5	0	0	0	0	103.7	S106 A110 R126	S106-S108 PolarHBondContact O-N 3.39Å; S108-A110 PolarHBondContact O-N 3.34Å; S108-A110 VanDerWaalsContact O-N 3.08Å; S108-R126 PolarHBondContact O-NH1 2.83Å
109	C	49	Very low	63.5	Low	97 Å²	97	79.9 Å²	79.9	66%	0.655	46%	0.458	S	S	*	.			trans	-48.8	128.2	170.4	-148.4	0	0	0	0	104.3	T107 K111	T107-C109 PolarHBondContact O-N 3.17Å; C109-K111 PolarHBondContact O-N 3.02Å
110	A	51.3	Low	63.3	Low	9 Å²	9	77.4 Å²	77.4	7%	0.074	45%	0.449	C	S	.	.			trans	-39.7	121.4	-179.2	0	0	0	0	0	106.6	Y84 S108 F112	Y84-A110 HydrophobicContact CD2-CB 3.78Å; Y84-A110 HydrophobicContact CE2-CB 4.23Å; S108-A110 PolarHBondContact O-N 3.34Å; S108-A110 VanDerWaalsContact O-N 3.08Å; A110-F112 VanDerWaalsContact C-N 3.28Å; A110-F112 VanDerWaalsContact O-CD2 3.29Å; A110-F112 WeakPolarHBondContact O-CD2 3.32Å; A110-F112 PolarHBondContact O-N 2.82Å
111	K	46.3	Very low	63.4	Low	149 Å²	149	74 Å²	74	65%	0.648	43%	0.428	S	S	*	.			trans	-59.8	100.9	-171.9	-74.3	-176.6	-180	179.1	0	106.4	C109 L113	C109-K111 PolarHBondContact O-N 3.02Å; K111-L113 HydrophobicContact CB-CD2 4.28Å; K111-L113 HydrophobicContact CB-CG 4.25Å; K111-L113 PolarHBondContact O-N 3.19Å
112	F	48.9	Very low	63.8	Low	84 Å²	84	76.2 Å²	76.2	37%	0.368	43%	0.429	S	S	.	.			trans	-66.4	90.5	163.5	-64.5	-80	0	0	0	103.5	A110 V114 P116 E122	A110-F112 VanDerWaalsContact C-N 3.28Å; A110-F112 VanDerWaalsContact O-CD2 3.29Å; A110-F112 WeakPolarHBondContact O-CD2 3.32Å; A110-F112 PolarHBondContact O-N 2.82Å; F112-V114 PolarHBondContact O-N 2.8Å; F112-P116 HydrophobicContact CD1-CG 3.64Å; F112-P116 HydrophobicContact CE1-CG 4.17Å; F112-P116 HydrophobicContact CG-CG 4.46Å; F112-E122 HydrophobicContact CE1-CG 4.48Å; F112-E122 HydrophobicContact CZ-CG 4.47Å
113	L	50.1	Low	64.3	Low	118 Å²	118	76.7 Å²	76.7	62%	0.618	43%	0.43	S	S	*	.	S	Bend	trans	-63.3	-13	-175.3	-75.4	164.8	0	0	0	111.1	V82 K111	V82-L113 HydrophobicContact CB-CD1 4.19Å; V82-L113 HydrophobicContact CG1-CD1 4.33Å; K111-L113 HydrophobicContact CB-CD2 4.28Å; K111-L113 HydrophobicContact CB-CG 4.25Å; K111-L113 PolarHBondContact O-N 3.19Å
114	V	48.3	Very low	64.8	Low	94 Å²	94	75 Å²	75	57%	0.57	42%	0.418	S	S	*	.	S	Bend	trans	-146	141.3	170.5	-174.3	0	0	0	0	107.1	F112 P116	F112-V114 PolarHBondContact O-N 2.8Å; V114-P116 WeakPolarHBondContact O-CD 3.12Å
115	T	45	Very low	66	Low	131 Å²	131	65.5 Å²	65.5	80%	0.804	38%	0.382	S	S	*	.			trans	-52.6	111.5	167.2	-24.6	0	0	0	0	106.9
116	P	51.7	Low	67.4	Low	45 Å²	45	64.2 Å²	64.2	29%	0.292	36%	0.363	S	S	.	.			trans	-62.7	143.5	-174.3	-14.3	26.5	0	0	0	108.1	F112 V114 S120	F112-P116 HydrophobicContact CD1-CG 3.64Å; F112-P116 HydrophobicContact CE1-CG 4.17Å; F112-P116 HydrophobicContact CG-CG 4.46Å; V114-P116 WeakPolarHBondContact O-CD 3.12Å; P116-S120 VanDerWaalsContact CB-CB 3.42Å; P116-S120 WeakPolarHBondContact CB-OG 3.45Å
117	P	55.3	Low	69.1	Low	69 Å²	69	59.5 Å²	59.5	45%	0.448	33%	0.328	S	S	.	.			trans	-50.9	148.9	162.7	23.1	-30.4	0	0	0	108.1	I119 S120	P117-I119 HydrophobicContact CB-CG1 4.19Å; P117-I119 HydrophobicContact CG-CG1 4.32Å; P117-I119 PolarHBondContact O-N 2.99Å; P117-S120 PolarHBondContact O-N 2.79Å; P117-S120 VanDerWaalsContact O-N 3.08Å; P117-S120 PolarHBondContact O-OG 2.78Å
118	D	64.6	Low	70.9	Confident	151 Å²	151	58 Å²	58	81%	0.807	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	14.4	-171.7	-154.1	17.9	0	0	0	115.4
119	I	74.1	Confident	73	Confident	55 Å²	55	56.2 Å²	56.2	28%	0.282	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-1.9	-173.1	63.2	170.8	0	0	0	114	P117	P117-I119 HydrophobicContact CB-CG1 4.19Å; P117-I119 HydrophobicContact CG-CG1 4.32Å; P117-I119 PolarHBondContact O-N 2.99Å
120	S	88.6	Confident	75.3	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.021	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-79.4	139.3	-179.1	-58.7	0	0	0	0	112.4	P116 P117 Q137 N166	P116-S120 VanDerWaalsContact CB-CB 3.42Å; P116-S120 WeakPolarHBondContact CB-OG 3.45Å; P117-S120 PolarHBondContact O-N 2.79Å; P117-S120 VanDerWaalsContact O-N 3.08Å; P117-S120 PolarHBondContact O-OG 2.78Å; S120-Q137 PolarHBondContact OG-OE1 2.94Å; S120-N166 PolarHBondContact O-ND2 2.82Å
121	L	94.4	Very high	77.5	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-70.4	142	174.7	-65.7	-179.4	0	0	0	111.5	F123 Y143 V164 R165 M167 Y173 F175 F244	L121-F123 HydrophobicContact CB-CD2 4.37Å; L121-F123 HydrophobicContact CB-CE2 3.68Å; L121-F123 HydrophobicContact CB-CZ 4.07Å; L121-F123 HydrophobicContact CD1-CZ 4.19Å; L121-Y143 HydrophobicContact CB-CE1 4.04Å; L121-Y143 HydrophobicContact CB-CE2 4.43Å; L121-Y143 HydrophobicContact CD1-CD2 4.04Å; L121-Y143 HydrophobicContact CD1-CE1 4.48Å; L121-Y143 HydrophobicContact CD1-CE2 3.62Å; L121-Y143 HydrophobicContact CG-CE1 4.4Å; L121-Y143 HydrophobicContact CG-CE2 3.9Å; L121-Y143 PolarHBondContact N-OH 3.1Å; L121-V164 HydrophobicContact CB-CG1 3.95Å; L121-V164 HydrophobicContact CD1-CG1 3.71Å; L121-V164 HydrophobicContact CD2-CG1 3.89Å; L121-V164 HydrophobicContact CG-CG1 4.06Å; L121-R165 WeakPolarHBondContact CA-O 3.35Å; L121-R165 WeakPolarHBondContact CD2-O 3.25Å; L121-M167 HydrophobicContact CD2-CB 3.66Å; L121-M167 HydrophobicContact CD2-CE 4.21Å; L121-Y173 HydrophobicContact CD1-CD1 3.49Å; L121-Y173 VanDerWaalsContact CD1-CD1 3.49Å; L121-Y173 HydrophobicContact CD1-CE1 3.7Å; L121-Y173 HydrophobicContact CD1-CG 4.31Å; L121-Y173 HydrophobicContact CD2-CD1 4.24Å; L121-Y173 HydrophobicContact CD2-CE1 3.59Å; L121-Y173 HydrophobicContact CG-CD1 3.99Å; L121-Y173 HydrophobicContact CG-CE1 3.63Å; L121-F175 HydrophobicContact CD1-CE1 3.89Å; L121-F175 HydrophobicContact CD1-CZ 3.71Å; L121-F244 HydrophobicContact CD1-CE2 4.47Å
122	E	94.5	Very high	79.9	Confident	83 Å²	83	44.3 Å²	44.3	39%	0.388	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.5	172	-63.5	175.5	179.1	0	0	109.8	F112 V164 R165 N166	F112-E122 HydrophobicContact CE1-CG 4.48Å; F112-E122 HydrophobicContact CZ-CG 4.47Å; E122-V164 CarbonylContact O-C 3.56Å; E122-V164 VanDerWaalsContact O-CA 3.23Å; E122-V164 WeakPolarHBondContact O-CA 3.39Å; E122-R165 HydrophobicContact CB-CB 4.09Å; E122-R165 PolarHBondContact N-O 3.09Å; E122-R165 PolarHBondContact O-N 2.71Å; E122-N166 HydrophobicContact CG-CB 4.12Å
123	F	96.1	Very high	82	Confident	12 Å²	12	42.2 Å²	42.2	5%	0.053	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	151.3	179.3	-60.9	-104.3	0	0	0	111.5	V83 Y84 L121 L132 A135 Y143 L145 F162 R163 V164 F175	V83-F123 HydrophobicContact CG2-CD2 3.95Å; V83-F123 HydrophobicContact CG2-CE2 3.78Å; Y84-F123 HydrophobicContact CD1-CB 4.11Å; Y84-F123 HydrophobicContact CD2-CB 4.05Å; Y84-F123 WeakPolarHBondContact CD2-O 3.5Å; Y84-F123 WeakPolarHBondContact CE2-O 3.39Å; Y84-F123 HydrophobicContact CG-CB 3.71Å; L121-F123 HydrophobicContact CB-CD2 4.37Å; L121-F123 HydrophobicContact CB-CE2 3.68Å; L121-F123 HydrophobicContact CB-CZ 4.07Å; L121-F123 HydrophobicContact CD1-CZ 4.19Å; F123-L132 HydrophobicContact CB-CD2 3.88Å; F123-L132 HydrophobicContact CD1-CD2 3.64Å; F123-L132 HydrophobicContact CG-CD2 4.07Å; F123-A135 HydrophobicContact CD1-CB 4.14Å; F123-A135 HydrophobicContact CD2-CB 3.7Å; F123-A135 HydrophobicContact CE1-CB 4.16Å; F123-A135 HydrophobicContact CE2-CB 3.74Å; F123-A135 HydrophobicContact CG-CB 3.91Å; F123-A135 HydrophobicContact CZ-CB 3.96Å; F123-Y143 AromaticContact CE2-CD1 3.61Å; F123-Y143 HydrophobicContact CE2-CD1 3.61Å; F123-Y143 AromaticContact CE2-CE1 3.75Å; F123-Y143 HydrophobicContact CE2-CE1 3.75Å; F123-Y143 HydrophobicContact CE2-CG 4.4Å; F123-Y143 AromaticContact CZ-CD1 3.58Å; F123-Y143 HydrophobicContact CZ-CD1 3.58Å; F123-Y143 HydrophobicContact CZ-CE1 4.07Å; F123-Y143 AromaticContact CZ-CG 3.92Å; F123-Y143 HydrophobicContact CZ-CG 3.92Å; F123-L145 HydrophobicContact CE1-CD2 3.84Å; F123-L145 HydrophobicContact CZ-CD2 4.19Å; F123-F162 AromaticContact CD1-CD2 3.94Å; F123-F162 HydrophobicContact CD1-CD2 3.94Å; F123-F162 HydrophobicContact CD1-CE2 4.03Å; F123-F162 HydrophobicContact CE1-CD2 4.4Å; F123-F162 HydrophobicContact CE1-CE2 4.02Å; F123-R163 WeakPolarHBondContact CA-O 3.5Å; F123-V164 HydrophobicContact CD1-CG2 4.14Å; F123-V164 HydrophobicContact CE1-CG2 4.17Å; F123-F175 HydrophobicContact CE1-CD1 4.41Å; F123-F175 AromaticContact CE1-CE1 3.82Å; F123-F175 HydrophobicContact CE1-CE1 3.82Å; F123-F175 AromaticContact CZ-CE1 3.81Å; F123-F175 HydrophobicContact CZ-CE1 3.81Å
124	E	95.4	Very high	84.2	Confident	11 Å²	11	40.1 Å²	40.1	5%	0.051	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.3	170.7	-179.4	58.1	-92	0	0	110.3	I46 R126 F127 F162 R163	I46-E124 HydrophobicContact CD1-CG 3.95Å; I46-E124 HydrophobicContact CG2-CG 4.19Å; E124-R126 WeakPolarHBondContact OE1-CB 3.44Å; E124-R126 WeakPolarHBondContact OE1-CG 3.48Å; E124-R126 IonicContact OE1-CZ 3.53Å; E124-R126 PolarHBondContact OE1-N 3.09Å; E124-R126 IonicContact OE1-NE 2.84Å; E124-R126 PolarHBondContact OE1-NE 2.86Å; E124-R126 IonicContact OE1-NH2 3.41Å; E124-R126 IonicContact OE2-CZ 3.92Å; E124-R126 IonicContact OE2-NE 3.71Å; E124-R126 PolarHBondContact OE2-NE 2.84Å; E124-R126 IonicContact OE2-NH2 3.65Å; E124-R126 PolarHBondContact OE2-NH2 2.91Å; E124-F127 HydrophobicContact CG-CD1 4.18Å; E124-F127 HydrophobicContact CG-CE1 4.27Å; E124-F127 VanDerWaalsContact O-CE1 3.25Å; E124-F127 WeakPolarHBondContact O-CE1 3.32Å; E124-F162 WeakPolarHBondContact O-CA 3.47Å; E124-R163 HydrophobicContact CB-CB 4.26Å; E124-R163 PolarHBondContact N-O 2.79Å; E124-R163 VanDerWaalsContact N-O 3.07Å; E124-R163 PolarHBondContact O-N 3.13Å
125	S	95.8	Very high	86.4	Confident	6 Å²	6	35.7 Å²	35.7	4%	0.042	19%	0.191	C	C	.	.			trans	-146.5	7.3	174.7	71.7	0	0	0	0	113.9	Y84 F127 G130 L132	Y84-S125 PolarHBondContact OH-N 2.93Å; Y84-S125 VanDerWaalsContact OH-N 3.14Å; Y84-S125 PolarHBondContact OH-OG 2.77Å; S125-F127 PolarHBondContact O-N 3.43Å; S125-G130 CarbonylContact O-C 3.51Å; S125-G130 WeakPolarHBondContact O-CA 3.32Å; S125-L132 PolarHBondContact OG-N 2.79Å; S125-L132 PolarHBondContact OG-O 3.45Å
126	R	94.4	Very high	88.7	Confident	22 Å²	22	30.3 Å²	30.3	8%	0.083	16%	0.158	C	C	.	.			trans	-79.9	54.3	178.4	-67	175.1	-65.2	177.2	0.8	111.5	E44 V45 I46 S108 E124	E44-R126 WeakPolarHBondContact O-CB 3.24Å; E44-R126 IonicContact OE2-CZ 3.46Å; E44-R126 IonicContact OE2-NH1 3.29Å; E44-R126 PolarHBondContact OE2-NH1 3.38Å; V45-R126 CarbonylContact C-O 3.57Å; V45-R126 WeakPolarHBondContact CA-O 3.34Å; I46-R126 WeakPolarHBondContact CG1-O 3.47Å; I46-R126 HydrophobicContact CG2-CB 4.2Å; I46-R126 PolarHBondContact N-O 3.24Å; S108-R126 PolarHBondContact O-NH1 2.83Å; E124-R126 WeakPolarHBondContact OE1-CB 3.44Å; E124-R126 WeakPolarHBondContact OE1-CG 3.48Å; E124-R126 IonicContact OE1-CZ 3.53Å; E124-R126 PolarHBondContact OE1-N 3.09Å; E124-R126 IonicContact OE1-NE 2.84Å; E124-R126 PolarHBondContact OE1-NE 2.86Å; E124-R126 IonicContact OE1-NH2 3.41Å; E124-R126 IonicContact OE2-CZ 3.92Å; E124-R126 IonicContact OE2-NE 3.71Å; E124-R126 PolarHBondContact OE2-NE 2.84Å; E124-R126 IonicContact OE2-NH2 3.65Å; E124-R126 PolarHBondContact OE2-NH2 2.91Å
127	F	95.3	Very high	90.7	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.035	15%	0.147	C	C	.	.	S	Bend	trans	-143.7	169	178.1	51.7	-105.7	0	0	0	109.9	W39 I46 I50 E124 S125 S129 G130 Y161 R163 Y252	W39-F127 VanDerWaalsContact CH2-C 3.48Å; W39-F127 WeakPolarHBondContact CH2-O 3.48Å; I46-F127 HydrophobicContact CD1-CB 4.12Å; I46-F127 HydrophobicContact CD1-CD1 3.91Å; I46-F127 HydrophobicContact CG1-CB 4.13Å; I50-F127 HydrophobicContact CD1-CB 3.59Å; I50-F127 HydrophobicContact CD1-CD1 3.29Å; I50-F127 HydrophobicContact CD1-CD2 3.64Å; I50-F127 HydrophobicContact CD1-CE1 3.73Å; I50-F127 HydrophobicContact CD1-CE2 4.09Å; I50-F127 HydrophobicContact CD1-CG 3.21Å; I50-F127 HydrophobicContact CD1-CZ 4.11Å; E124-F127 HydrophobicContact CG-CD1 4.18Å; E124-F127 HydrophobicContact CG-CE1 4.27Å; E124-F127 VanDerWaalsContact O-CE1 3.25Å; E124-F127 WeakPolarHBondContact O-CE1 3.32Å; S125-F127 PolarHBondContact O-N 3.43Å; F127-S129 PolarHBondContact O-N 3.39Å; F127-G130 WeakPolarHBondContact O-CA 3.44Å; F127-G130 PolarHBondContact O-N 3.42Å; F127-Y161 HydrophobicContact CD2-CE1 4.09Å; F127-Y161 AromaticContact CE2-CD1 3.83Å; F127-Y161 HydrophobicContact CE2-CD1 3.83Å; F127-Y161 HydrophobicContact CE2-CD2 4.39Å; F127-Y161 AromaticContact CE2-CE1 3.5Å; F127-Y161 HydrophobicContact CE2-CE1 3.5Å; F127-Y161 HydrophobicContact CE2-CE2 4.08Å; F127-Y161 HydrophobicContact CE2-CG 4.23Å; F127-Y161 AromaticContact CE2-CZ 3.58Å; F127-Y161 HydrophobicContact CZ-CE2 4.42Å; F127-R163 HydrophobicContact CE1-CB 3.94Å; F127-R163 HydrophobicContact CZ-CB 4.32Å; F127-Y252 HydrophobicContact CZ-CD1 4.24Å; F127-Y252 HydrophobicContact CZ-CE1 4.34Å
128	E	96.5	Very high	92.4	Very high	30 Å²	30	26.9 Å²	26.9	14%	0.14	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	127.6	-173.8	-161	-179.5	168.3	0	0	112.8	W39 G130 T260 Y261 S262 V368	W39-E128 HydrophobicContact CH2-CB 4.44Å; W39-E128 HydrophobicContact CZ2-CB 4.04Å; W39-E128 HydrophobicContact CZ2-CG 4.34Å; E128-G130 PolarHBondContact O-N 3.4Å; E128-G130 VanDerWaalsContact O-N 3.14Å; E128-T260 HydrophobicContact CB-CG2 4.36Å; E128-T260 HydrophobicContact CG-CG2 4.27Å; E128-T260 WeakPolarHBondContact OE1-CB 3.41Å; E128-Y261 VanDerWaalsContact OE1-CA 3.23Å; E128-Y261 WeakPolarHBondContact OE1-CA 3.45Å; E128-Y261 WeakPolarHBondContact OE1-CB 3.11Å; E128-Y261 PolarHBondContact OE1-N 2.89Å; E128-S262 PolarHBondContact OE1-N 3.16Å; E128-S262 WeakPolarHBondContact OE2-CB 3.33Å; E128-S262 PolarHBondContact OE2-OG 3.1Å; E128-V368 HydrophobicContact CG-CG2 4.49Å
129	S	97.4	Very high	93.5	Very high	2 Å²	2	21 Å²	21	1%	0.014	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	4	-174	-55.2	0	0	0	0	115.7	F127 W159 V367 V368	F127-S129 PolarHBondContact O-N 3.39Å; S129-W159 PolarHBondContact O-NE1 3.44Å; S129-V367 WeakPolarHBondContact CA-O 3.29Å; S129-V367 WeakPolarHBondContact CB-O 3.09Å; S129-V367 PolarHBondContact N-O 3.35Å; S129-V367 PolarHBondContact OG-O 3.22Å; S129-V368 PolarHBondContact N-O 3.19Å
130	G	97.3	Very high	94.2	Very high	1 Å²	1	21 Å²	21	1%	0.01	12%	0.117	C	C	.	.			trans	-68.4	139	177.6	0	0	0	0	0	112.7	S125 F127 E128 Y161	S125-G130 CarbonylContact O-C 3.51Å; S125-G130 WeakPolarHBondContact O-CA 3.32Å; F127-G130 WeakPolarHBondContact O-CA 3.44Å; F127-G130 PolarHBondContact O-N 3.42Å; E128-G130 PolarHBondContact O-N 3.4Å; E128-G130 VanDerWaalsContact O-N 3.14Å; G130-Y161 CarbonylContact C-O 3.55Å; G130-Y161 VanDerWaalsContact CA-O 3.25Å; G130-Y161 WeakPolarHBondContact CA-O 3.45Å
131	N	97.3	Very high	94.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-147.5	108	173.3	-170.5	-11	0	0	0	111.4	R148 W159 Y161 G370	N131-R148 PolarHBondContact ND2-O 3.47Å; N131-R148 WeakPolarHBondContact OD1-CB 3.41Å; N131-R148 PolarHBondContact OD1-N 3.37Å; N131-R148 PolarHBondContact OD1-O 2.88Å; N131-W159 PolarHBondContact ND2-O 3.05Å; N131-Y161 PolarHBondContact N-O 3.5Å; N131-Y161 PolarHBondContact O-N 2.88Å; N131-G370 WeakPolarHBondContact CB-O 3.36Å; N131-G370 PolarHBondContact ND2-O 2.94Å; N131-G370 VanDerWaalsContact ND2-O 3.14Å
132	L	96.6	Very high	94.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.134	C	C	.	.			trans	-155.9	132.3	162.1	178.2	66.9	0	0	0	106.5	Y84 F123 S125 L145 L147 F162	Y84-L132 HydrophobicContact CD1-CD2 3.84Å; Y84-L132 HydrophobicContact CD1-CG 4.1Å; Y84-L132 HydrophobicContact CE1-CB 4.23Å; Y84-L132 HydrophobicContact CE1-CD2 3.94Å; Y84-L132 HydrophobicContact CE1-CG 3.94Å; F123-L132 HydrophobicContact CB-CD2 3.88Å; F123-L132 HydrophobicContact CD1-CD2 3.64Å; F123-L132 HydrophobicContact CG-CD2 4.07Å; S125-L132 PolarHBondContact OG-N 2.79Å; S125-L132 PolarHBondContact OG-O 3.45Å; L132-L145 HydrophobicContact CD1-CB 3.94Å; L132-L145 HydrophobicContact CD1-CD1 4.46Å; L132-L145 HydrophobicContact CD1-CD2 4.23Å; L132-L145 HydrophobicContact CD1-CG 4.43Å; L132-L147 HydrophobicContact CD1-CD2 4.28Å; L132-F162 HydrophobicContact CB-CB 3.88Å; L132-F162 HydrophobicContact CB-CD1 4.31Å; L132-F162 HydrophobicContact CB-CG 4.26Å; L132-F162 HydrophobicContact CD2-CB 4.04Å; L132-F162 HydrophobicContact CD2-CD1 4.44Å; L132-F162 HydrophobicContact CD2-CD2 4.16Å; L132-F162 HydrophobicContact CD2-CG 3.98Å
133	Q	94.4	Very high	94.3	Very high	41 Å²	41	20.7 Å²	20.7	19%	0.192	12%	0.116	C	C	.	.			trans	-94.7	-46.3	177.6	-173.6	177.5	25.8	0	0	111.5	C85 S86 T146 R148	C85-Q133 CarbonylContact C-O 3.48Å; C85-Q133 WeakPolarHBondContact CA-O 3.26Å; S86-Q133 PolarHBondContact N-O 3.29Å; Q133-T146 WeakPolarHBondContact CA-O 3.29Å; Q133-T146 WeakPolarHBondContact CB-O 3.22Å; Q133-T146 PolarHBondContact N-O 3.32Å; Q133-R148 HydrophobicContact CB-CB 4.1Å
134	K	94.4	Very high	94.4	Very high	74 Å²	74	23.3 Å²	23.3	32%	0.322	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143	-171.7	-171.6	-180	178.3	-173.9	0	110.8	V82 Y84 V136 L145 T146	V82-K134 HydrophobicContact CG1-CG 4.36Å; Y84-K134 CarbonylContact O-C 3.56Å; Y84-K134 WeakPolarHBondContact O-CA 3.44Å; K134-V136 HydrophobicContact CD-CG2 4.14Å; K134-V136 VanDerWaalsContact CE-CG2 3.5Å; K134-V136 HydrophobicContact CG-CG2 4.12Å; K134-L145 WeakPolarHBondContact O-CA 3.36Å; K134-T146 PolarHBondContact N-O 3.48Å; K134-T146 PolarHBondContact O-N 2.96Å
135	A	95.4	Very high	94.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.4	167.2	0	0	0	0	0	110.1	V83 Y84 F123 E144 L145	V83-A135 HydrophobicContact CG2-CB 4Å; V83-A135 WeakPolarHBondContact CG2-O 3.49Å; V83-A135 PolarHBondContact N-O 2.89Å; Y84-A135 PolarHBondContact N-O 3.19Å; Y84-A135 PolarHBondContact O-N 3.14Å; F123-A135 HydrophobicContact CD1-CB 4.14Å; F123-A135 HydrophobicContact CD2-CB 3.7Å; F123-A135 HydrophobicContact CE1-CB 4.16Å; F123-A135 HydrophobicContact CE2-CB 3.74Å; F123-A135 HydrophobicContact CG-CB 3.91Å; F123-A135 HydrophobicContact CZ-CB 3.96Å; A135-E144 CarbonylContact C-O 3.53Å; A135-E144 WeakPolarHBondContact CA-O 3.39Å; A135-L145 HydrophobicContact CB-CD2 3.64Å
136	V	93.5	Very high	94.5	Very high	19 Å²	19	24.2 Å²	24.2	12%	0.115	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.6	178.6	-172.2	0	0	0	0	108.3	N81 V82 K134 V138 Y143 E144	N81-V136 CarbonylContact O-C 3.5Å; N81-V136 WeakPolarHBondContact O-CA 3.42Å; V82-V136 HydrophobicContact CG2-CG2 4.24Å; K134-V136 HydrophobicContact CD-CG2 4.14Å; K134-V136 VanDerWaalsContact CE-CG2 3.5Å; K134-V136 HydrophobicContact CG-CG2 4.12Å; V136-V138 HydrophobicContact CB-CG1 4.42Å; V136-V138 HydrophobicContact CG1-CG1 3.95Å; V136-V138 PolarHBondContact O-N 3.02Å; V136-Y143 CarbonylContact O-C 3.56Å; V136-Y143 VanDerWaalsContact O-CA 3.31Å; V136-Y143 WeakPolarHBondContact O-CA 3.19Å; V136-E144 HydrophobicContact CB-CB 4.47Å; V136-E144 PolarHBondContact N-O 3.05Å; V136-E144 PolarHBondContact O-N 3.41Å
137	Q	92.6	Very high	94.6	Very high	13 Å²	13	23.1 Å²	23.1	6%	0.061	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	111.1	171.9	-173.4	176.3	16.9	0	0	108.8	G80 N81 V83 S120 G139 A140 Y143	G80-Q137 CarbonylContact C-O 3.57Å; G80-Q137 WeakPolarHBondContact CA-O 3.36Å; N81-Q137 PolarHBondContact N-O 3.25Å; N81-Q137 PolarHBondContact O-N 3.41Å; V83-Q137 HydrophobicContact CG1-CB 4Å; S120-Q137 PolarHBondContact OG-OE1 2.94Å; Q137-G139 WeakPolarHBondContact CG-O 3.4Å; Q137-G139 PolarHBondContact NE2-O 3.41Å; Q137-A140 PolarHBondContact NE2-O 3.04Å; Q137-A140 VanDerWaalsContact NE2-O 3.16Å; Q137-Y143 HydrophobicContact CB-CD1 4.03Å; Q137-Y143 HydrophobicContact CB-CE1 3.71Å; Q137-Y143 HydrophobicContact CG-CD1 4.39Å; Q137-Y143 HydrophobicContact CG-CE1 3.84Å; Q137-Y143 PolarHBondContact NE2-OH 2.83Å
138	V	91.1	Very high	94.5	Very high	29 Å²	29	23.9 Å²	23.9	18%	0.176	13%	0.133	C	C	.	.			trans	-107	-4.5	-176.6	-63.1	0	0	0	0	112.9	L73 V136 D142 E144	L73-V138 HydrophobicContact CD2-CG2 3.73Å; V136-V138 HydrophobicContact CB-CG1 4.42Å; V136-V138 HydrophobicContact CG1-CG1 3.95Å; V136-V138 PolarHBondContact O-N 3.02Å; V138-D142 HydrophobicContact CG2-CB 4.01Å; V138-D142 PolarHBondContact N-O 3.28Å; V138-E144 HydrophobicContact CG1-CB 4.33Å; V138-E144 HydrophobicContact CG1-CG 3.94Å; V138-E144 HydrophobicContact CG2-CG 4.03Å
139	G	88.9	Confident	94.4	Very high	26 Å²	26	24 Å²	24	27%	0.268	14%	0.136	S	C	.	.	S	Bend	trans	-160.1	178.1	173.9	0	0	0	0	0	110.1	Q137 F141 D142	Q137-G139 WeakPolarHBondContact CG-O 3.4Å; Q137-G139 PolarHBondContact NE2-O 3.41Å; G139-F141 PolarHBondContact O-N 3.39Å; G139-F141 VanDerWaalsContact O-N 3.15Å; G139-D142 PolarHBondContact N-O 2.99Å; G139-D142 PolarHBondContact O-N 2.8Å
140	A	87.9	Confident	94.2	Very high	56 Å²	56	24 Å²	24	46%	0.463	14%	0.135	S	C	.	.	S	Bend	trans	-54	-40.4	-176.1	0	0	0	0	0	112.7	Q137	Q137-A140 PolarHBondContact NE2-O 3.04Å; Q137-A140 VanDerWaalsContact NE2-O 3.16Å
141	F	92.4	Very high	94	Very high	46 Å²	46	24.2 Å²	24.2	20%	0.202	14%	0.136	C	C	.	.	S	Bend	trans	-129.5	19.2	179.6	-55.6	-70.3	0	0	0	112.7	G139 M171 I172 Y173 R174	G139-F141 PolarHBondContact O-N 3.39Å; G139-F141 VanDerWaalsContact O-N 3.15Å; F141-M171 HydrophobicContact CD1-CB 4.43Å; F141-M171 HydrophobicContact CD2-CE 4.11Å; F141-M171 HydrophobicContact CE1-CB 4.3Å; F141-M171 HydrophobicContact CE1-CE 4.18Å; F141-M171 HydrophobicContact CE1-CG 4.31Å; F141-M171 HydrophobicContact CE2-CE 3.35Å; F141-M171 HydrophobicContact CZ-CE 3.4Å; F141-M171 HydrophobicContact CZ-CG 4.38Å; F141-I172 VanDerWaalsContact CB-O 3.23Å; F141-I172 WeakPolarHBondContact CB-O 3.42Å; F141-Y173 HydrophobicContact CB-CD1 4.06Å; F141-Y173 HydrophobicContact CB-CE1 4.37Å; F141-Y173 HydrophobicContact CB-CG 4.47Å; F141-Y173 HydrophobicContact CD1-CD1 4.11Å; F141-Y173 AromaticContact CD1-CE1 3.57Å; F141-Y173 HydrophobicContact CD1-CE1 3.57Å; F141-Y173 HydrophobicContact CD1-CE2 4.42Å; F141-Y173 AromaticContact CD1-CZ 3.74Å; F141-Y173 HydrophobicContact CE1-CE1 4.4Å; F141-Y173 HydrophobicContact CG-CE1 4.45Å; F141-Y173 CarbonylContact O-C 3.55Å; F141-Y173 VanDerWaalsContact O-CA 3.31Å; F141-Y173 WeakPolarHBondContact O-CA 3.26Å; F141-R174 PolarHBondContact O-N 3.12Å
142	D	93.4	Very high	93.8	Very high	36 Å²	36	25 Å²	25	19%	0.193	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.4	-172	-58.1	-75.4	0	0	0	110.7	V138 G139 R174	V138-D142 HydrophobicContact CG2-CB 4.01Å; V138-D142 PolarHBondContact N-O 3.28Å; G139-D142 PolarHBondContact N-O 2.99Å; G139-D142 PolarHBondContact O-N 2.8Å; D142-R174 VanDerWaalsContact CB-NH2 3.28Å; D142-R174 VanDerWaalsContact OD1-CB 3.28Å; D142-R174 WeakPolarHBondContact OD1-CB 3.19Å; D142-R174 IonicContact OD1-CZ 3Å; D142-R174 IonicContact OD1-NE 2.78Å; D142-R174 PolarHBondContact OD1-NE 3.04Å; D142-R174 IonicContact OD1-NH2 2.69Å; D142-R174 PolarHBondContact OD1-NH2 2.76Å; D142-R174 IonicContact OD2-NH2 3.86Å
143	Y	95.3	Very high	93.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.1	-173.3	-64.7	-96.5	0	0	0	111	V83 L121 F123 V136 Q137 Y173 R174 F175 T176	V83-Y143 HydrophobicContact CG2-CD1 4.21Å; V83-Y143 HydrophobicContact CG2-CE1 4.05Å; L121-Y143 HydrophobicContact CB-CE1 4.04Å; L121-Y143 HydrophobicContact CB-CE2 4.43Å; L121-Y143 HydrophobicContact CD1-CD2 4.04Å; L121-Y143 HydrophobicContact CD1-CE1 4.48Å; L121-Y143 HydrophobicContact CD1-CE2 3.62Å; L121-Y143 HydrophobicContact CG-CE1 4.4Å; L121-Y143 HydrophobicContact CG-CE2 3.9Å; L121-Y143 PolarHBondContact N-OH 3.1Å; F123-Y143 AromaticContact CE2-CD1 3.61Å; F123-Y143 HydrophobicContact CE2-CD1 3.61Å; F123-Y143 AromaticContact CE2-CE1 3.75Å; F123-Y143 HydrophobicContact CE2-CE1 3.75Å; F123-Y143 HydrophobicContact CE2-CG 4.4Å; F123-Y143 AromaticContact CZ-CD1 3.58Å; F123-Y143 HydrophobicContact CZ-CD1 3.58Å; F123-Y143 HydrophobicContact CZ-CE1 4.07Å; F123-Y143 AromaticContact CZ-CG 3.92Å; F123-Y143 HydrophobicContact CZ-CG 3.92Å; V136-Y143 CarbonylContact O-C 3.56Å; V136-Y143 VanDerWaalsContact O-CA 3.31Å; V136-Y143 WeakPolarHBondContact O-CA 3.19Å; Q137-Y143 HydrophobicContact CB-CD1 4.03Å; Q137-Y143 HydrophobicContact CB-CE1 3.71Å; Q137-Y143 HydrophobicContact CG-CD1 4.39Å; Q137-Y143 HydrophobicContact CG-CE1 3.84Å; Q137-Y143 PolarHBondContact NE2-OH 2.83Å; Y143-Y173 AromaticContact CE2-CD1 3.93Å; Y143-Y173 HydrophobicContact CE2-CD1 3.93Å; Y143-Y173 HydrophobicContact CE2-CE1 4.32Å; Y143-R174 PolarHBondContact N-O 3.01Å; Y143-F175 HydrophobicContact CD2-CE1 4.1Å; Y143-F175 HydrophobicContact CG-CD1 4.42Å; Y143-F175 HydrophobicContact CG-CE1 4.19Å; Y143-F175 CarbonylContact O-C 3.5Å; Y143-F175 WeakPolarHBondContact O-CA 3.11Å; Y143-T176 PolarHBondContact O-N 2.8Å
144	E	96.3	Very high	93	Very high	66 Å²	66	32.5 Å²	32.5	31%	0.308	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.3	165.6	-70.5	-174.1	172.7	0	0	109.8	L73 A135 V136 V138 T176 T178	L73-E144 HydrophobicContact CD1-CG 4.26Å; L73-E144 WeakPolarHBondContact CD1-OE1 3.49Å; L73-E144 HydrophobicContact CD2-CG 4.25Å; A135-E144 CarbonylContact C-O 3.53Å; A135-E144 WeakPolarHBondContact CA-O 3.39Å; V136-E144 HydrophobicContact CB-CB 4.47Å; V136-E144 PolarHBondContact N-O 3.05Å; V136-E144 PolarHBondContact O-N 3.41Å; V138-E144 HydrophobicContact CG1-CB 4.33Å; V138-E144 HydrophobicContact CG1-CG 3.94Å; V138-E144 HydrophobicContact CG2-CG 4.03Å; E144-T176 CarbonylContact C-O 3.57Å; E144-T176 WeakPolarHBondContact CA-O 3.31Å; E144-T178 HydrophobicContact CB-CG2 4.49Å; E144-T178 HydrophobicContact CG-CG2 4.5Å
145	L	97.4	Very high	92.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.2	-174.5	-54.1	-177	0	0	0	109.3	F123 L132 K134 A135 F162 F175 T176 I177 T178 W240	F123-L145 HydrophobicContact CE1-CD2 3.84Å; F123-L145 HydrophobicContact CZ-CD2 4.19Å; L132-L145 HydrophobicContact CD1-CB 3.94Å; L132-L145 HydrophobicContact CD1-CD1 4.46Å; L132-L145 HydrophobicContact CD1-CD2 4.23Å; L132-L145 HydrophobicContact CD1-CG 4.43Å; K134-L145 WeakPolarHBondContact O-CA 3.36Å; A135-L145 HydrophobicContact CB-CD2 3.64Å; L145-F162 HydrophobicContact CD1-CE1 4.09Å; L145-F162 HydrophobicContact CD1-CE2 4.44Å; L145-F162 HydrophobicContact CD1-CZ 3.69Å; L145-F175 HydrophobicContact CD1-CB 3.96Å; L145-F175 HydrophobicContact CD1-CD1 3.91Å; L145-F175 HydrophobicContact CD1-CG 4.22Å; L145-F175 HydrophobicContact CD2-CD1 4.37Å; L145-F175 HydrophobicContact CG-CD1 4.36Å; L145-T176 PolarHBondContact N-O 2.72Å; L145-I177 HydrophobicContact CB-CG1 3.95Å; L145-I177 HydrophobicContact CD1-CG1 4.12Å; L145-I177 VanDerWaalsContact O-CA 3.3Å; L145-I177 WeakPolarHBondContact O-CA 3.34Å; L145-T178 PolarHBondContact O-N 3.16Å; L145-T178 PolarHBondContact O-OG1 3.18Å; L145-W240 HydrophobicContact CD1-CH2 4.4Å
146	T	96.3	Very high	92.4	Very high	36 Å²	36	33.5 Å²	33.5	22%	0.221	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.5	169.5	-49.8	0	0	0	0	107.7	Q133 K134 N179	Q133-T146 WeakPolarHBondContact CA-O 3.29Å; Q133-T146 WeakPolarHBondContact CB-O 3.22Å; Q133-T146 PolarHBondContact N-O 3.32Å; K134-T146 PolarHBondContact N-O 3.48Å; K134-T146 PolarHBondContact O-N 2.96Å; T146-N179 HydrophobicContact CG2-CB 4.39Å; T146-N179 WeakPolarHBondContact CG2-ND2 3.47Å
147	L	96.3	Very high	92.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-83.8	152.5	173.4	-60.8	-178.7	0	0	0	109.9	L132 T157 F160 I177 N179 L180	L132-L147 HydrophobicContact CD1-CD2 4.28Å; L147-T157 HydrophobicContact CB-CG2 3.45Å; L147-T157 VanDerWaalsContact CB-CG2 3.45Å; L147-T157 HydrophobicContact CD1-CG2 3.83Å; L147-T157 HydrophobicContact CG-CG2 4.21Å; L147-F160 HydrophobicContact CD1-CB 4.03Å; L147-F160 HydrophobicContact CD2-CB 3.51Å; L147-F160 HydrophobicContact CG-CB 4.42Å; L147-I177 HydrophobicContact CD1-CD1 4.23Å; L147-I177 HydrophobicContact CD1-CG2 3.82Å; L147-I177 HydrophobicContact CD2-CD1 4.3Å; L147-I177 HydrophobicContact CG-CD1 4.42Å; L147-I177 HydrophobicContact CG-CG2 3.7Å; L147-N179 PolarHBondContact N-OD1 2.86Å; L147-N179 PolarHBondContact O-ND2 2.91Å; L147-L180 HydrophobicContact CD1-CD2 3.82Å
148	R	94.1	Very high	92.2	Very high	23 Å²	23	32.2 Å²	32.2	9%	0.087	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-76.9	137.8	170.3	-165.3	-165.1	59.3	-130.3	-9	108.6	A89 N131 Q133 V369 G370	A89-R148 VanDerWaalsContact CB-CD 3.41Å; A89-R148 HydrophobicContact CB-CG 4.4Å; N131-R148 PolarHBondContact ND2-O 3.47Å; N131-R148 WeakPolarHBondContact OD1-CB 3.41Å; N131-R148 PolarHBondContact OD1-N 3.37Å; N131-R148 PolarHBondContact OD1-O 2.88Å; Q133-R148 HydrophobicContact CB-CB 4.1Å; R148-V369 PolarHBondContact NH1-O 3.35Å; R148-V369 PolarHBondContact NH2-O 3.25Å; R148-G370 PolarHBondContact NH2-O 3.31Å
149	T	93.4	Very high	92.5	Very high	34 Å²	34	31 Å²	31	21%	0.209	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-61.7	168.5	163.5	55.4	0	0	0	0	110.2	L151 T153 T157	T149-L151 PolarHBondContact O-N 3.05Å; T149-T153 PolarHBondContact OG1-O 3.38Å; T149-T157 WeakPolarHBondContact CG2-OG1 3.28Å
150	D	94.1	Very high	93	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-59.9	139.5	171.4	-77	-0.6	0	0	0	110.5	Y152 T153 K155 H156 N371 Y372 R373 C374	D150-Y152 PolarHBondContact O-N 2.88Å; D150-T153 HydrophobicContact CB-CG2 3.6Å; D150-T153 VanDerWaalsContact O-CG2 3.26Å; D150-T153 WeakPolarHBondContact O-CG2 3.47Å; D150-T153 PolarHBondContact O-N 2.91Å; D150-K155 PolarHBondContact N-O 3.05Å; D150-H156 HydrophobicContact CB-CB 4.34Å; D150-H156 PolarHBondContact N-O 3.16Å; D150-N371 WeakPolarHBondContact CA-OD1 3.31Å; D150-N371 HydrophobicContact CB-CB 4.28Å; D150-N371 VanDerWaalsContact OD1-CA 3.25Å; D150-N371 WeakPolarHBondContact OD1-CA 3.35Å; D150-N371 WeakPolarHBondContact OD1-CB 3.25Å; D150-Y372 PolarHBondContact OD1-N 3.02Å; D150-R373 VanDerWaalsContact OD2-CA 3.31Å; D150-R373 WeakPolarHBondContact OD2-CA 3.44Å; D150-R373 WeakPolarHBondContact OD2-CB 3.38Å; D150-R373 PolarHBondContact OD2-N 3.28Å; D150-C374 HydrophobicContact CB-CB 4.12Å; D150-C374 PolarHBondContact OD2-N 3.37Å
151	L	93.3	Very high	93.5	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.031	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	140.5	-179.9	-64.3	-173.8	0	0	0	111.6	P40 A89 T149 T153 V369 N371 L376	P40-L151 HydrophobicContact CG-CD1 4.06Å; A89-L151 HydrophobicContact CB-CD2 3.74Å; T149-L151 PolarHBondContact O-N 3.05Å; L151-T153 PolarHBondContact O-N 3.41Å; L151-V369 HydrophobicContact CD1-CB 3.74Å; L151-V369 HydrophobicContact CD1-CG1 3.82Å; L151-V369 HydrophobicContact CD1-CG2 3.83Å; L151-V369 HydrophobicContact CG-CB 4.46Å; L151-V369 HydrophobicContact CG-CG2 4.2Å; L151-N371 PolarHBondContact N-OD1 3.23Å; L151-L376 HydrophobicContact CD1-CD2 4.26Å
152	Y	91.8	Very high	93.8	Very high	18 Å²	18	25 Å²	25	7%	0.071	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	25.7	178.8	-39.9	-62.9	0	0	0	114.2	P40 E42 H92 Y94 F95 D150 L376	P40-Y152 VanDerWaalsContact CB-OH 3.27Å; P40-Y152 WeakPolarHBondContact CB-OH 3.33Å; P40-Y152 WeakPolarHBondContact CG-OH 3.41Å; E42-Y152 WeakPolarHBondContact OE1-CE1 3.32Å; E42-Y152 PolarHBondContact OE1-OH 2.95Å; H92-Y152 HydrophobicContact CB-CE1 4.28Å; Y94-Y152 VanDerWaalsContact C-CE1 3.42Å; Y94-Y152 VanDerWaalsContact CA-CD1 3.46Å; Y94-Y152 WeakPolarHBondContact O-CE1 3.41Å; F95-Y152 HydrophobicContact CB-CD2 3.98Å; F95-Y152 HydrophobicContact CB-CE1 4.45Å; F95-Y152 HydrophobicContact CB-CE2 3.56Å; F95-Y152 HydrophobicContact CD2-CE2 4.08Å; F95-Y152 HydrophobicContact CG-CE2 4.31Å; D150-Y152 PolarHBondContact O-N 2.88Å; Y152-L376 HydrophobicContact CD2-CB 4.28Å; Y152-L376 WeakPolarHBondContact CD2-O 3.48Å; Y152-L376 HydrophobicContact CE2-CB 3.99Å; Y152-L376 HydrophobicContact CE2-CD2 3.91Å; Y152-L376 HydrophobicContact CE2-CG 4.44Å
153	T	88.5	Confident	94	Very high	31 Å²	31	24.5 Å²	24.5	19%	0.19	12%	0.118	C	C	.	.	S	Bend	trans	-151.8	154.4	167.3	-175.7	0	0	0	0	110.2	T149 D150 L151 K155	T149-T153 PolarHBondContact OG1-O 3.38Å; D150-T153 HydrophobicContact CB-CG2 3.6Å; D150-T153 VanDerWaalsContact O-CG2 3.26Å; D150-T153 WeakPolarHBondContact O-CG2 3.47Å; D150-T153 PolarHBondContact O-N 2.91Å; L151-T153 PolarHBondContact O-N 3.41Å; T153-K155 WeakPolarHBondContact CG2-O 3.33Å; T153-K155 PolarHBondContact OG1-N 3.32Å
154	E	87.3	Confident	94.1	Very high	170 Å²	170	24.5 Å²	24.5	79%	0.794	12%	0.118	S	C	*	.	S	Bend	trans	-89	7.9	173.5	-62.9	175.9	170.1	0	0	111.9
155	K	87.2	Confident	94.1	Very high	73 Å²	73	24.8 Å²	24.8	32%	0.317	12%	0.116	S	C	.	.			trans	-114.6	169.3	-174	-58.2	-172.9	-176.1	-179.8	0	111.6	D150 T153 M181 D579	D150-K155 PolarHBondContact N-O 3.05Å; T153-K155 WeakPolarHBondContact CG2-O 3.33Å; T153-K155 PolarHBondContact OG1-N 3.32Å; K155-M181 HydrophobicContact CB-CE 4.5Å; K155-D579 HydrophobicContact CD-CB 3.78Å; K155-D579 PolarHBondContact NZ-O 2.96Å; K155-D579 VanDerWaalsContact NZ-O 3.11Å
156	H	88.8	Confident	93.9	Very high	21 Å²	21	27.3 Å²	27.3	10%	0.097	13%	0.129	C	C	.	.			trans	66.4	100.1	175.9	-50	-64.4	0	0	0	114	D150 M181 Y372 R373 C374 S580	D150-H156 HydrophobicContact CB-CB 4.34Å; D150-H156 PolarHBondContact N-O 3.16Å; H156-M181 PolarHBondContact N-SD 2.57Å; H156-Y372 HydrophobicContact CB-CD1 4.49Å; H156-R373 HydrophobicContact CB-CB 3.86Å; H156-C374 PolarHBondContact CD2-SG 2.89Å; H156-S580 PolarHBondContact CE1-OG 2.82Å; H156-S580 PolarHBondContact NE2-OG 3.07Å
157	T	90	Very high	93.8	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.025	12%	0.119	C	C	.	.			trans	-137.1	112.4	174	-54.4	0	0	0	0	109.4	L147 T149 N179 L180 M181	L147-T157 HydrophobicContact CB-CG2 3.45Å; L147-T157 VanDerWaalsContact CB-CG2 3.45Å; L147-T157 HydrophobicContact CD1-CG2 3.83Å; L147-T157 HydrophobicContact CG-CG2 4.21Å; T149-T157 WeakPolarHBondContact CG2-OG1 3.28Å; T157-N179 WeakPolarHBondContact CB-O 3.35Å; T157-N179 WeakPolarHBondContact CG2-O 3.19Å; T157-L180 HydrophobicContact CG2-CD2 4.41Å; T157-M181 PolarHBondContact O-N 2.84Å
158	Q	92.5	Very high	93.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.139	C	C	.	.			trans	-157.8	-36.8	178.8	-172.8	62.6	75	0	0	113.3	Y372	Q158-Y372 HydrophobicContact CB-CD1 3.78Å; Q158-Y372 HydrophobicContact CB-CD2 3.76Å; Q158-Y372 HydrophobicContact CB-CE1 3.82Å; Q158-Y372 HydrophobicContact CB-CE2 3.82Å; Q158-Y372 HydrophobicContact CB-CG 3.76Å; Q158-Y372 HydrophobicContact CG-CD2 4.26Å; Q158-Y372 HydrophobicContact CG-CE1 4.33Å; Q158-Y372 HydrophobicContact CG-CE2 3.87Å
159	W	97.3	Very high	93.6	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.015	14%	0.142	C	C	.	.			trans	-76.9	131.6	178.5	175.1	-105.7	0	0	0	110.9	S129 N131 Y161 H255 C256 P258 T327 Y372	S129-W159 PolarHBondContact O-NE1 3.44Å; N131-W159 PolarHBondContact ND2-O 3.05Å; W159-Y161 HydrophobicContact CZ2-CD1 4.22Å; W159-Y161 HydrophobicContact CZ2-CG 4.2Å; W159-H255 HydrophobicContact CE3-CB 3.94Å; W159-H255 HydrophobicContact CZ3-CB 4.17Å; W159-C256 WeakPolarHBondContact CH2-O 3.37Å; W159-C256 HydrophobicContact CZ3-CB 4.11Å; W159-P258 HydrophobicContact CH2-CG 4.43Å; W159-T327 HydrophobicContact CH2-CG2 3.61Å; W159-T327 HydrophobicContact CZ2-CG2 4.34Å; W159-T327 HydrophobicContact CZ3-CG2 3.73Å; W159-Y372 HydrophobicContact CB-CD2 3.97Å; W159-Y372 HydrophobicContact CB-CG 4.41Å
160	F	98.6	Very high	93.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.167	C	C	.	.			trans	-133.5	141	167.6	64.6	-94.3	0	0	0	109.3	L147 F162 I177 Y187 P193 L238 A254 H255	L147-F160 HydrophobicContact CD1-CB 4.03Å; L147-F160 HydrophobicContact CD2-CB 3.51Å; L147-F160 HydrophobicContact CG-CB 4.42Å; F160-F162 HydrophobicContact CB-CD1 4.41Å; F160-F162 HydrophobicContact CB-CE1 4.41Å; F160-F162 HydrophobicContact CD2-CD1 4.29Å; F160-F162 AromaticContact CD2-CE1 3.83Å; F160-F162 HydrophobicContact CD2-CE1 3.83Å; F160-F162 HydrophobicContact CG-CE1 4.46Å; F160-I177 HydrophobicContact CB-CD1 4.32Å; F160-I177 HydrophobicContact CD1-CD1 3.66Å; F160-I177 HydrophobicContact CE1-CD1 4.06Å; F160-I177 HydrophobicContact CG-CD1 3.97Å; F160-Y187 VanDerWaalsContact CE1-OH 3.28Å; F160-Y187 WeakPolarHBondContact CE1-OH 3.41Å; F160-Y187 VanDerWaalsContact CZ-OH 3.3Å; F160-Y187 WeakPolarHBondContact CZ-OH 3.29Å; F160-P193 HydrophobicContact CE2-CB 4.46Å; F160-P193 HydrophobicContact CZ-CB 4.11Å; F160-L238 HydrophobicContact CE1-CD2 4.17Å; F160-A254 WeakPolarHBondContact CE2-O 3.5Å; F160-A254 WeakPolarHBondContact O-CA 3.25Å; F160-H255 HydrophobicContact CD1-CB 3.79Å; F160-H255 HydrophobicContact CE1-CB 3.71Å; F160-H255 AromaticContact CE1-ND1 3.72Å; F160-H255 HydrophobicContact CG-CB 4.26Å; F160-H255 HydrophobicContact CZ-CB 4.11Å; F160-H255 PolarHBondContact O-N 3.3Å
161	Y	98.8	Very high	93.3	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	112.9	172	175.6	-148.3	0	0	0	107.8	I50 H52 F127 G130 N131 W159 W208 Y252 L253 A254 P258	I50-Y161 WeakPolarHBondContact CG2-OH 3.32Å; H52-Y161 AromaticContact NE2-CZ 3.69Å; H52-Y161 PolarHBondContact NE2-OH 3.43Å; F127-Y161 HydrophobicContact CD2-CE1 4.09Å; F127-Y161 AromaticContact CE2-CD1 3.83Å; F127-Y161 HydrophobicContact CE2-CD1 3.83Å; F127-Y161 HydrophobicContact CE2-CD2 4.39Å; F127-Y161 AromaticContact CE2-CE1 3.5Å; F127-Y161 HydrophobicContact CE2-CE1 3.5Å; F127-Y161 HydrophobicContact CE2-CE2 4.08Å; F127-Y161 HydrophobicContact CE2-CG 4.23Å; F127-Y161 AromaticContact CE2-CZ 3.58Å; F127-Y161 HydrophobicContact CZ-CE2 4.42Å; G130-Y161 CarbonylContact C-O 3.55Å; G130-Y161 VanDerWaalsContact CA-O 3.25Å; G130-Y161 WeakPolarHBondContact CA-O 3.45Å; N131-Y161 PolarHBondContact N-O 3.5Å; N131-Y161 PolarHBondContact O-N 2.88Å; W159-Y161 HydrophobicContact CZ2-CD1 4.22Å; W159-Y161 HydrophobicContact CZ2-CG 4.2Å; Y161-W208 HydrophobicContact CD2-CH2 4.2Å; Y161-W208 AromaticContact CE2-CH2 3.83Å; Y161-W208 HydrophobicContact CE2-CH2 3.83Å; Y161-W208 AromaticContact CE2-CZ2 3.96Å; Y161-W208 HydrophobicContact CE2-CZ2 3.96Å; Y161-Y252 AromaticContact CE2-CD1 3.87Å; Y161-Y252 HydrophobicContact CE2-CD1 3.87Å; Y161-Y252 HydrophobicContact CE2-CG 4.23Å; Y161-L253 VanDerWaalsContact CA-O 3.31Å; Y161-L253 WeakPolarHBondContact CA-O 3.32Å; Y161-A254 HydrophobicContact CD2-CB 3.95Å; Y161-A254 HydrophobicContact CG-CB 4.42Å; Y161-P258 HydrophobicContact CD1-CB 4.1Å; Y161-P258 HydrophobicContact CD1-CG 4Å; Y161-P258 HydrophobicContact CD2-CG 4Å; Y161-P258 HydrophobicContact CE1-CB 3.9Å; Y161-P258 HydrophobicContact CE1-CG 3.95Å; Y161-P258 HydrophobicContact CE2-CG 3.96Å; Y161-P258 HydrophobicContact CG-CG 4.07Å
162	F	98.5	Very high	93.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	154.7	-175.5	58.8	-91.7	0	0	0	111.4	F123 E124 L132 L145 F160 V164 Y252 L253	F123-F162 AromaticContact CD1-CD2 3.94Å; F123-F162 HydrophobicContact CD1-CD2 3.94Å; F123-F162 HydrophobicContact CD1-CE2 4.03Å; F123-F162 HydrophobicContact CE1-CD2 4.4Å; F123-F162 HydrophobicContact CE1-CE2 4.02Å; E124-F162 WeakPolarHBondContact O-CA 3.47Å; L132-F162 HydrophobicContact CB-CB 3.88Å; L132-F162 HydrophobicContact CB-CD1 4.31Å; L132-F162 HydrophobicContact CB-CG 4.26Å; L132-F162 HydrophobicContact CD2-CB 4.04Å; L132-F162 HydrophobicContact CD2-CD1 4.44Å; L132-F162 HydrophobicContact CD2-CD2 4.16Å; L132-F162 HydrophobicContact CD2-CG 3.98Å; L145-F162 HydrophobicContact CD1-CE1 4.09Å; L145-F162 HydrophobicContact CD1-CE2 4.44Å; L145-F162 HydrophobicContact CD1-CZ 3.69Å; F160-F162 HydrophobicContact CB-CD1 4.41Å; F160-F162 HydrophobicContact CB-CE1 4.41Å; F160-F162 HydrophobicContact CD2-CD1 4.29Å; F160-F162 AromaticContact CD2-CE1 3.83Å; F160-F162 HydrophobicContact CD2-CE1 3.83Å; F160-F162 HydrophobicContact CG-CE1 4.46Å; F162-V164 HydrophobicContact CD2-CG2 3.66Å; F162-V164 HydrophobicContact CE2-CG2 3.54Å; F162-Y252 VanDerWaalsContact O-CA 3.3Å; F162-Y252 WeakPolarHBondContact O-CA 3.49Å; F162-L253 HydrophobicContact CE1-CB 4.18Å; F162-L253 HydrophobicContact CE2-CB 3.99Å; F162-L253 HydrophobicContact CE2-CD1 3.74Å; F162-L253 HydrophobicContact CE2-CG 4.48Å; F162-L253 HydrophobicContact CZ-CB 3.78Å; F162-L253 HydrophobicContact CZ-CD1 3.81Å; F162-L253 HydrophobicContact CZ-CG 4.46Å; F162-L253 PolarHBondContact N-O 3.47Å; F162-L253 VanDerWaalsContact N-O 3.07Å; F162-L253 PolarHBondContact O-N 2.71Å
163	R	98.2	Very high	93.6	Very high	24 Å²	24	42.6 Å²	42.6	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	145.5	174.3	-173	-179.8	72.9	-169.3	0.7	109.5	D48 F123 E124 F127 T250 C251 Y252	D48-R163 IonicContact OD2-NH1 3.41Å; D48-R163 PolarHBondContact OD2-NH1 3.47Å; F123-R163 WeakPolarHBondContact CA-O 3.5Å; E124-R163 HydrophobicContact CB-CB 4.26Å; E124-R163 PolarHBondContact N-O 2.79Å; E124-R163 VanDerWaalsContact N-O 3.07Å; E124-R163 PolarHBondContact O-N 3.13Å; F127-R163 HydrophobicContact CE1-CB 3.94Å; F127-R163 HydrophobicContact CZ-CB 4.32Å; R163-T250 HydrophobicContact CG-CG2 3.71Å; R163-C251 CarbonylContact C-O 3.52Å; R163-C251 WeakPolarHBondContact CA-O 3.29Å; R163-Y252 HydrophobicContact CB-CD1 3.75Å; R163-Y252 HydrophobicContact CB-CE1 3.62Å; R163-Y252 HydrophobicContact CG-CD1 4.09Å; R163-Y252 HydrophobicContact CG-CE1 3.67Å
164	V	97.4	Very high	94	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.3	172.4	-170.5	0	0	0	0	108.2	L121 E122 F123 F162 M167 F244 C251 L253	L121-V164 HydrophobicContact CB-CG1 3.95Å; L121-V164 HydrophobicContact CD1-CG1 3.71Å; L121-V164 HydrophobicContact CD2-CG1 3.89Å; L121-V164 HydrophobicContact CG-CG1 4.06Å; E122-V164 CarbonylContact O-C 3.56Å; E122-V164 VanDerWaalsContact O-CA 3.23Å; E122-V164 WeakPolarHBondContact O-CA 3.39Å; F123-V164 HydrophobicContact CD1-CG2 4.14Å; F123-V164 HydrophobicContact CE1-CG2 4.17Å; F162-V164 HydrophobicContact CD2-CG2 3.66Å; F162-V164 HydrophobicContact CE2-CG2 3.54Å; V164-M167 HydrophobicContact CB-CE 3.95Å; V164-M167 HydrophobicContact CG1-CE 3.54Å; V164-M167 WeakPolarHBondContact O-CE 3.01Å; V164-F244 HydrophobicContact CG1-CZ 4.21Å; V164-C251 PolarHBondContact N-O 3.18Å; V164-C251 PolarHBondContact O-N 2.7Å; V164-L253 HydrophobicContact CG2-CD1 4.21Å
165	R	95.6	Very high	94.5	Very high	73 Å²	73	33.7 Å²	33.7	28%	0.275	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	176.4	171.4	-72.9	179.1	174	166.3	-0.4	111	L121 E122 M167 T250	L121-R165 WeakPolarHBondContact CA-O 3.35Å; L121-R165 WeakPolarHBondContact CD2-O 3.25Å; E122-R165 HydrophobicContact CB-CB 4.09Å; E122-R165 PolarHBondContact N-O 3.09Å; E122-R165 PolarHBondContact O-N 2.71Å; R165-M167 VanDerWaalsContact C-CE 3.48Å; R165-M167 VanDerWaalsContact C-N 3.33Å; R165-M167 VanDerWaalsContact CA-CE 3.46Å; R165-M167 PolarHBondContact O-N 2.91Å; R165-T250 HydrophobicContact CG-CG2 4.18Å; R165-T250 PolarHBondContact NE-OG1 3.17Å
166	N	93.4	Very high	95	Very high	52 Å²	52	30.3 Å²	30.3	28%	0.278	14%	0.14	S	C	.	.	S	Bend	trans	61.8	34.7	176.7	-160.2	37.1	0	0	0	114.4	S120 E122	S120-N166 PolarHBondContact O-ND2 2.82Å; E122-N166 HydrophobicContact CG-CB 4.12Å
167	M	94.6	Very high	95.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-84.2	158	172.8	57.6	-72.5	-47.1	0	0	112.4	L121 V164 R165 Y173 F244 S248 D249 C251	L121-M167 HydrophobicContact CD2-CB 3.66Å; L121-M167 HydrophobicContact CD2-CE 4.21Å; V164-M167 HydrophobicContact CB-CE 3.95Å; V164-M167 HydrophobicContact CG1-CE 3.54Å; V164-M167 WeakPolarHBondContact O-CE 3.01Å; R165-M167 VanDerWaalsContact C-CE 3.48Å; R165-M167 VanDerWaalsContact C-N 3.33Å; R165-M167 VanDerWaalsContact CA-CE 3.46Å; R165-M167 PolarHBondContact O-N 2.91Å; M167-Y173 WeakPolarHBondContact CA-OH 3.34Å; M167-Y173 HydrophobicContact CB-CE2 4.12Å; M167-F244 HydrophobicContact CB-CB 4.17Å; M167-F244 HydrophobicContact CB-CD2 3.5Å; M167-F244 HydrophobicContact CB-CE2 4.04Å; M167-F244 HydrophobicContact CB-CG 3.91Å; M167-F244 HydrophobicContact CE-CD1 4.37Å; M167-F244 HydrophobicContact CE-CE1 4.28Å; M167-F244 HydrophobicContact CE-CE2 4.47Å; M167-F244 HydrophobicContact CE-CZ 4.33Å; M167-F244 HydrophobicContact CG-CB 3.62Å; M167-F244 HydrophobicContact CG-CD1 4.26Å; M167-F244 HydrophobicContact CG-CD2 3.81Å; M167-F244 HydrophobicContact CG-CG 3.64Å; M167-S248 PolarHBondContact O-N 3.44Å; M167-D249 HydrophobicContact SD-CB 3.91Å; M167-D249 PolarHBondContact SD-N 3.39Å; M167-C251 HydrophobicContact CE-CB 4.4Å
168	K	93.7	Very high	95.6	Very high	93 Å²	93	30.7 Å²	30.7	40%	0.404	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-100.4	131.4	164.3	-64.8	-174	177.6	-176.2	0	109.9	M171 Y173 D247	K168-M171 HydrophobicContact CB-CB 4.4Å; K168-M171 HydrophobicContact CB-CG 3.65Å; K168-Y173 PolarHBondContact N-OH 3Å; K168-D247 VanDerWaalsContact CA-OD1 3.26Å; K168-D247 WeakPolarHBondContact CA-OD1 3.35Å
169	A	93.4	Very high	95.8	Very high	18 Å²	18	31.8 Å²	31.8	15%	0.149	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	147.8	177.6	0	0	0	0	0	110.7	M171 D247	A169-M171 PolarHBondContact O-N 3.03Å; A169-D247 PolarHBondContact N-OD1 3Å
170	K	86.4	Confident	95.6	Very high	169 Å²	169	31.6 Å²	31.6	74%	0.735	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	-12.1	174.2	-52.9	173.8	-178	172.6	0	115.8	R243 F244	K170-R243 WeakPolarHBondContact O-CD 3.27Å; K170-F244 PolarHBondContact N-O 2.89Å; K170-F244 VanDerWaalsContact N-O 3.07Å
171	M	93.5	Very high	95.2	Very high	74 Å²	74	33.9 Å²	33.9	37%	0.365	16%	0.161	S	C	.	.			trans	-65.7	144.4	170.7	-61.2	-51	-69.2	0	0	110.3	F141 K168 A169 Y173 R243	F141-M171 HydrophobicContact CD1-CB 4.43Å; F141-M171 HydrophobicContact CD2-CE 4.11Å; F141-M171 HydrophobicContact CE1-CB 4.3Å; F141-M171 HydrophobicContact CE1-CE 4.18Å; F141-M171 HydrophobicContact CE1-CG 4.31Å; F141-M171 HydrophobicContact CE2-CE 3.35Å; F141-M171 HydrophobicContact CZ-CE 3.4Å; F141-M171 HydrophobicContact CZ-CG 4.38Å; K168-M171 HydrophobicContact CB-CB 4.4Å; K168-M171 HydrophobicContact CB-CG 3.65Å; A169-M171 PolarHBondContact O-N 3.03Å; M171-Y173 HydrophobicContact CB-CD2 4.33Å; M171-Y173 HydrophobicContact CB-CE2 3.74Å; M171-R243 WeakPolarHBondContact O-CA 3.49Å
172	I	95.3	Very high	94.8	Very high	81 Å²	81	35.1 Å²	35.1	42%	0.415	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	110	178.5	-56	175.7	0	0	0	107.7	F141 T241 R243	F141-I172 VanDerWaalsContact CB-O 3.23Å; F141-I172 WeakPolarHBondContact CB-O 3.42Å; I172-T241 HydrophobicContact CG2-CG2 3.92Å; I172-R243 VanDerWaalsContact CD1-NH2 3.3Å; I172-R243 HydrophobicContact CG1-CG 4.08Å
173	Y	96	Very high	94.3	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.6	171	-68.6	-93.9	0	0	0	109.7	L121 F141 Y143 M167 K168 M171 T241 V242 F244	L121-Y173 HydrophobicContact CD1-CD1 3.49Å; L121-Y173 VanDerWaalsContact CD1-CD1 3.49Å; L121-Y173 HydrophobicContact CD1-CE1 3.7Å; L121-Y173 HydrophobicContact CD1-CG 4.31Å; L121-Y173 HydrophobicContact CD2-CD1 4.24Å; L121-Y173 HydrophobicContact CD2-CE1 3.59Å; L121-Y173 HydrophobicContact CG-CD1 3.99Å; L121-Y173 HydrophobicContact CG-CE1 3.63Å; F141-Y173 HydrophobicContact CB-CD1 4.06Å; F141-Y173 HydrophobicContact CB-CE1 4.37Å; F141-Y173 HydrophobicContact CB-CG 4.47Å; F141-Y173 HydrophobicContact CD1-CD1 4.11Å; F141-Y173 AromaticContact CD1-CE1 3.57Å; F141-Y173 HydrophobicContact CD1-CE1 3.57Å; F141-Y173 HydrophobicContact CD1-CE2 4.42Å; F141-Y173 AromaticContact CD1-CZ 3.74Å; F141-Y173 HydrophobicContact CE1-CE1 4.4Å; F141-Y173 HydrophobicContact CG-CE1 4.45Å; F141-Y173 CarbonylContact O-C 3.55Å; F141-Y173 VanDerWaalsContact O-CA 3.31Å; F141-Y173 WeakPolarHBondContact O-CA 3.26Å; Y143-Y173 AromaticContact CE2-CD1 3.93Å; Y143-Y173 HydrophobicContact CE2-CD1 3.93Å; Y143-Y173 HydrophobicContact CE2-CE1 4.32Å; M167-Y173 WeakPolarHBondContact CA-OH 3.34Å; M167-Y173 HydrophobicContact CB-CE2 4.12Å; K168-Y173 PolarHBondContact N-OH 3Å; M171-Y173 HydrophobicContact CB-CD2 4.33Å; M171-Y173 HydrophobicContact CB-CE2 3.74Å; Y173-T241 CarbonylContact O-C 3.54Å; Y173-T241 WeakPolarHBondContact O-CA 3.1Å; Y173-V242 PolarHBondContact N-O 3.42Å; Y173-V242 PolarHBondContact O-N 3.08Å; Y173-F244 HydrophobicContact CD1-CE2 4.43Å; Y173-F244 AromaticContact CD2-CD2 3.46Å; Y173-F244 HydrophobicContact CD2-CD2 3.46Å; Y173-F244 VanDerWaalsContact CD2-CD2 3.46Å; Y173-F244 AromaticContact CD2-CE2 3.59Å; Y173-F244 HydrophobicContact CD2-CE2 3.59Å; Y173-F244 AromaticContact CE2-CD2 3.69Å; Y173-F244 HydrophobicContact CE2-CD2 3.69Å; Y173-F244 HydrophobicContact CE2-CE2 4.07Å; Y173-F244 HydrophobicContact CG-CD2 4.15Å; Y173-F244 AromaticContact CG-CE2 3.78Å; Y173-F244 HydrophobicContact CG-CE2 3.78Å
174	R	96.9	Very high	93.7	Very high	14 Å²	14	38.4 Å²	38.4	5%	0.053	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.9	175.2	-163.3	167.3	50.9	67.9	3.8	110.1	L73 F141 D142 Y143 T176 W240 T241	L73-R174 VanDerWaalsContact CD2-CZ 3.42Å; F141-R174 PolarHBondContact O-N 3.12Å; D142-R174 VanDerWaalsContact CB-NH2 3.28Å; D142-R174 VanDerWaalsContact OD1-CB 3.28Å; D142-R174 WeakPolarHBondContact OD1-CB 3.19Å; D142-R174 IonicContact OD1-CZ 3Å; D142-R174 IonicContact OD1-NE 2.78Å; D142-R174 PolarHBondContact OD1-NE 3.04Å; D142-R174 IonicContact OD1-NH2 2.69Å; D142-R174 PolarHBondContact OD1-NH2 2.76Å; D142-R174 IonicContact OD2-NH2 3.86Å; Y143-R174 PolarHBondContact N-O 3.01Å; R174-T176 PolarHBondContact NH1-OG1 3.39Å; R174-W240 WeakPolarHBondContact CA-O 3.39Å; R174-W240 WeakPolarHBondContact CG-O 3.17Å; R174-T241 HydrophobicContact CB-CG2 3.99Å; R174-T241 HydrophobicContact CG-CG2 3.72Å
175	F	97.9	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135	175.7	-62.3	-67.2	0	0	0	108.9	L121 F123 Y143 L145 T239 W240 V242 F244 L253	L121-F175 HydrophobicContact CD1-CE1 3.89Å; L121-F175 HydrophobicContact CD1-CZ 3.71Å; F123-F175 HydrophobicContact CE1-CD1 4.41Å; F123-F175 AromaticContact CE1-CE1 3.82Å; F123-F175 HydrophobicContact CE1-CE1 3.82Å; F123-F175 AromaticContact CZ-CE1 3.81Å; F123-F175 HydrophobicContact CZ-CE1 3.81Å; Y143-F175 HydrophobicContact CD2-CE1 4.1Å; Y143-F175 HydrophobicContact CG-CD1 4.42Å; Y143-F175 HydrophobicContact CG-CE1 4.19Å; Y143-F175 CarbonylContact O-C 3.5Å; Y143-F175 WeakPolarHBondContact O-CA 3.11Å; L145-F175 HydrophobicContact CD1-CB 3.96Å; L145-F175 HydrophobicContact CD1-CD1 3.91Å; L145-F175 HydrophobicContact CD1-CG 4.22Å; L145-F175 HydrophobicContact CD2-CD1 4.37Å; L145-F175 HydrophobicContact CG-CD1 4.36Å; F175-T239 VanDerWaalsContact O-CA 3.27Å; F175-T239 WeakPolarHBondContact O-CA 3.42Å; F175-T239 PolarHBondContact O-OG1 2.93Å; F175-W240 HydrophobicContact CB-CD2 4.1Å; F175-W240 HydrophobicContact CB-CE3 4.18Å; F175-W240 HydrophobicContact CB-CH2 3.66Å; F175-W240 HydrophobicContact CB-CZ2 3.55Å; F175-W240 HydrophobicContact CB-CZ3 3.98Å; F175-W240 AromaticContact CD2-CE2 3.91Å; F175-W240 AromaticContact CD2-CZ2 3.93Å; F175-W240 HydrophobicContact CD2-CZ2 3.93Å; F175-W240 AromaticContact CD2-NE1 3.78Å; F175-W240 HydrophobicContact CG-CH2 4.49Å; F175-W240 HydrophobicContact CG-CZ2 4.01Å; F175-W240 PolarHBondContact N-O 3.19Å; F175-W240 PolarHBondContact O-N 2.9Å; F175-V242 HydrophobicContact CD2-CG1 3.91Å; F175-V242 HydrophobicContact CE2-CG1 3.5Å; F175-V242 VanDerWaalsContact CE2-CG1 3.5Å; F175-F244 HydrophobicContact CE2-CE2 4.48Å; F175-F244 HydrophobicContact CE2-CZ 4.11Å; F175-F244 HydrophobicContact CZ-CE2 4.37Å; F175-F244 HydrophobicContact CZ-CZ 4.1Å; F175-L253 HydrophobicContact CD2-CD1 4.01Å; F175-L253 HydrophobicContact CE2-CD1 3.63Å; F175-L253 HydrophobicContact CZ-CD1 4.17Å
176	T	97.5	Very high	93.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	106.8	173.7	-55.4	0	0	0	0	109.5	L73 Y143 E144 L145 R174 T178 L238 T239	L73-T176 HydrophobicContact CD1-CG2 3.87Å; Y143-T176 PolarHBondContact O-N 2.8Å; E144-T176 CarbonylContact C-O 3.57Å; E144-T176 WeakPolarHBondContact CA-O 3.31Å; L145-T176 PolarHBondContact N-O 2.72Å; R174-T176 PolarHBondContact NH1-OG1 3.39Å; T176-T178 HydrophobicContact CG2-CG2 4.21Å; T176-L238 CarbonylContact C-O 3.56Å; T176-L238 WeakPolarHBondContact CA-O 3.47Å; T176-T239 WeakPolarHBondContact OG1-CB 3.45Å; T176-T239 PolarHBondContact OG1-OG1 2.86Å
177	I	97.8	Very high	93.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.4	170.5	-63.4	168.1	0	0	0	107.8	L145 L147 F160 L180 S237 L238 W240	L145-I177 HydrophobicContact CB-CG1 3.95Å; L145-I177 HydrophobicContact CD1-CG1 4.12Å; L145-I177 VanDerWaalsContact O-CA 3.3Å; L145-I177 WeakPolarHBondContact O-CA 3.34Å; L147-I177 HydrophobicContact CD1-CD1 4.23Å; L147-I177 HydrophobicContact CD1-CG2 3.82Å; L147-I177 HydrophobicContact CD2-CD1 4.3Å; L147-I177 HydrophobicContact CG-CD1 4.42Å; L147-I177 HydrophobicContact CG-CG2 3.7Å; F160-I177 HydrophobicContact CB-CD1 4.32Å; F160-I177 HydrophobicContact CD1-CD1 3.66Å; F160-I177 HydrophobicContact CE1-CD1 4.06Å; F160-I177 HydrophobicContact CG-CD1 3.97Å; I177-L180 HydrophobicContact CB-CD1 4.37Å; I177-L180 HydrophobicContact CG2-CD1 4.07Å; I177-L180 HydrophobicContact CG2-CD2 4.12Å; I177-L180 HydrophobicContact CG2-CG 3.8Å; I177-S237 CarbonylContact O-C 3.57Å; I177-S237 WeakPolarHBondContact O-CA 3.45Å; I177-S237 WeakPolarHBondContact O-CB 3.45Å; I177-L238 HydrophobicContact CD1-CD2 4.47Å; I177-L238 PolarHBondContact N-O 2.89Å; I177-L238 PolarHBondContact O-N 3.36Å; I177-W240 HydrophobicContact CD1-CH2 3.81Å; I177-W240 HydrophobicContact CD1-CZ3 3.85Å; I177-W240 HydrophobicContact CG1-CH2 4.09Å; I177-W240 HydrophobicContact CG1-CZ3 3.98Å
178	T	95.5	Very high	93.5	Very high	33 Å²	33	35.5 Å²	35.5	20%	0.202	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-11.7	-168.2	56.8	0	0	0	0	115.6	E144 L145 T176 N220 Y236	E144-T178 HydrophobicContact CB-CG2 4.49Å; E144-T178 HydrophobicContact CG-CG2 4.5Å; L145-T178 PolarHBondContact O-N 3.16Å; L145-T178 PolarHBondContact O-OG1 3.18Å; T176-T178 HydrophobicContact CG2-CG2 4.21Å; T178-N220 PolarHBondContact O-ND2 3.44Å; T178-Y236 CarbonylContact C-O 3.53Å
179	N	94.8	Very high	93.5	Very high	24 Å²	24	35.6 Å²	35.6	13%	0.128	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	36.8	-169.4	73.3	-35.8	0	0	0	114.8	T146 L147 T157 L235	T146-N179 HydrophobicContact CG2-CB 4.39Å; T146-N179 WeakPolarHBondContact CG2-ND2 3.47Å; L147-N179 PolarHBondContact N-OD1 2.86Å; L147-N179 PolarHBondContact O-ND2 2.91Å; T157-N179 WeakPolarHBondContact CB-O 3.35Å; T157-N179 WeakPolarHBondContact CG2-O 3.19Å; N179-L235 HydrophobicContact CB-CD1 4.31Å
180	L	94.4	Very high	93.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	138.3	175.7	-62.5	165.4	0	0	0	110.1	L147 T157 I177 Y217 L235 Y236 L238	L147-L180 HydrophobicContact CD1-CD2 3.82Å; T157-L180 HydrophobicContact CG2-CD2 4.41Å; I177-L180 HydrophobicContact CB-CD1 4.37Å; I177-L180 HydrophobicContact CG2-CD1 4.07Å; I177-L180 HydrophobicContact CG2-CD2 4.12Å; I177-L180 HydrophobicContact CG2-CG 3.8Å; L180-Y217 HydrophobicContact CB-CE2 4.27Å; L180-Y217 HydrophobicContact CD1-CD2 4.35Å; L180-Y217 HydrophobicContact CD1-CE2 3.6Å; L180-L235 CarbonylContact O-C 3.58Å; L180-Y236 WeakPolarHBondContact CB-O 3.25Å; L180-Y236 PolarHBondContact N-O 3.42Å; L180-Y236 WeakPolarHBondContact O-CB 3.45Å; L180-Y236 PolarHBondContact O-N 2.77Å; L180-L238 HydrophobicContact CD1-CB 3.49Å; L180-L238 VanDerWaalsContact CD1-CB 3.49Å
181	M	90.9	Very high	94.1	Very high	48 Å²	48	26.8 Å²	26.8	24%	0.236	15%	0.154	C	C	.	.			trans	-99.1	-3	-172.8	-60.6	-178.7	81.6	0	0	114	K155 H156 T157 L235	K155-M181 HydrophobicContact CB-CE 4.5Å; H156-M181 PolarHBondContact N-SD 2.57Å; T157-M181 PolarHBondContact O-N 2.84Å; M181-L235 HydrophobicContact CG-CD2 3.95Å
182	K	88.8	Confident	94.4	Very high	29 Å²	29	26.2 Å²	26.2	13%	0.126	15%	0.148	C	C	.	.			trans	-93.1	126.9	-175.3	-66.3	-158.9	-177.1	-166.5	0	111.7	S184 Y217 Y236 Y372 S422	K182-S184 PolarHBondContact O-N 3.39Å; K182-Y217 VanDerWaalsContact O-CE1 3.25Å; K182-Y217 WeakPolarHBondContact O-CE1 3.23Å; K182-Y217 VanDerWaalsContact O-CZ 3.26Å; K182-Y217 PolarHBondContact O-OH 3.19Å; K182-Y236 WeakPolarHBondContact O-CD2 3.35Å; K182-Y372 PolarHBondContact NZ-OH 2.91Å; K182-S422 WeakPolarHBondContact CD-OG 3.44Å; K182-S422 PolarHBondContact NZ-OG 2.89Å
183	A	87.9	Confident	94.5	Very high	58 Å²	58	22.3 Å²	22.3	48%	0.479	13%	0.128	S	C	.	.	S	Bend	trans	-65.3	-14	178.8	0	0	0	0	0	116.2	Y236	A183-Y236 VanDerWaalsContact CA-CE2 3.46Å; A183-Y236 HydrophobicContact CB-CE1 4.28Å; A183-Y236 HydrophobicContact CB-CE2 3.95Å; A183-Y236 VanDerWaalsContact CB-OH 3.28Å; A183-Y236 WeakPolarHBondContact CB-OH 3.28Å
184	S	87	Confident	94.6	Very high	34 Å²	34	22.3 Å²	22.3	24%	0.238	13%	0.128	C	C	.	.			trans	-147.7	149.9	176.4	54.4	0	0	0	0	110.8	K182 R423	K182-S184 PolarHBondContact O-N 3.39Å; S184-R423 WeakPolarHBondContact OG-CD 3.49Å; S184-R423 PolarHBondContact OG-NE 2.89Å; S184-R423 PolarHBondContact OG-NH2 3.49Å
185	S	91.8	Very high	94.7	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.021	13%	0.126	C	C	.	.			trans	-145.7	150.2	-174.6	-174.2	0	0	0	0	111.5	Y187 S188	S185-Y187 PolarHBondContact O-N 3.07Å; S185-Y187 VanDerWaalsContact OG-CD2 3.23Å; S185-Y187 WeakPolarHBondContact OG-CD2 3.09Å; S185-Y187 PolarHBondContact OG-N 3.46Å; S185-S188 WeakPolarHBondContact O-CB 3.4Å; S185-S188 PolarHBondContact O-N 2.8Å; S185-S188 VanDerWaalsContact O-N 3.1Å
186	L	94.9	Very high	94.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-63.2	-16.7	172.4	-71.4	175.5	0	0	0	113.1	S188 L189 G190 M191 S422 T493 F494	L186-S188 PolarHBondContact O-N 2.55Å; L186-L189 HydrophobicContact CD2-CB 4.46Å; L186-L189 HydrophobicContact CD2-CD1 4.14Å; L186-L189 CarbonylContact O-C 3.56Å; L186-L189 VanDerWaalsContact O-CA 3.31Å; L186-L189 WeakPolarHBondContact O-CA 3.43Å; L186-L189 PolarHBondContact O-N 2.95Å; L186-G190 PolarHBondContact O-N 3.43Å; L186-M191 VanDerWaalsContact C-CB 3.46Å; L186-M191 HydrophobicContact CB-CB 3.82Å; L186-M191 HydrophobicContact CB-CG 4.42Å; L186-M191 HydrophobicContact CB-SD 3.74Å; L186-M191 HydrophobicContact CD1-SD 4.22Å; L186-M191 VanDerWaalsContact O-CB 3.24Å; L186-M191 WeakPolarHBondContact O-CB 3.1Å; L186-M191 PolarHBondContact O-N 3.21Å; L186-S422 WeakPolarHBondContact CG-O 3.49Å; L186-S422 PolarHBondContact N-O 2.93Å; L186-T493 VanDerWaalsContact CD1-OG1 3.29Å; L186-T493 WeakPolarHBondContact CD1-OG1 3.33Å; L186-F494 HydrophobicContact CD1-CB 4.29Å
187	Y	95.8	Very high	94.8	Very high	2 Å²	2	22 Å²	22	1%	0.008	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60.5	-34.5	170.6	-69.8	-69.3	0	0	0	112.1	F160 S185 L189 G190 M191 I215 L238 H255	F160-Y187 VanDerWaalsContact CE1-OH 3.28Å; F160-Y187 WeakPolarHBondContact CE1-OH 3.41Å; F160-Y187 VanDerWaalsContact CZ-OH 3.3Å; F160-Y187 WeakPolarHBondContact CZ-OH 3.29Å; S185-Y187 PolarHBondContact O-N 3.07Å; S185-Y187 VanDerWaalsContact OG-CD2 3.23Å; S185-Y187 WeakPolarHBondContact OG-CD2 3.09Å; S185-Y187 PolarHBondContact OG-N 3.46Å; Y187-L189 PolarHBondContact O-N 2.69Å; Y187-G190 PolarHBondContact O-N 3.37Å; Y187-M191 HydrophobicContact CD1-CB 4.19Å; Y187-M191 HydrophobicContact CD1-CE 4.01Å; Y187-M191 HydrophobicContact CD1-CG 4.48Å; Y187-M191 VanDerWaalsContact CD1-O 3.25Å; Y187-M191 WeakPolarHBondContact CD1-O 3.5Å; Y187-M191 HydrophobicContact CD2-CE 3.77Å; Y187-M191 HydrophobicContact CE1-CE 3.55Å; Y187-M191 HydrophobicContact CE1-CG 4.34Å; Y187-M191 HydrophobicContact CE2-CE 3.27Å; Y187-M191 HydrophobicContact CG-CE 4.09Å; Y187-M191 WeakPolarHBondContact OH-CE 3.34Å; Y187-I215 HydrophobicContact CD1-CG2 4.02Å; Y187-I215 HydrophobicContact CG-CG2 4.49Å; Y187-L238 HydrophobicContact CD1-CD1 3.82Å; Y187-L238 HydrophobicContact CD1-CD2 4.25Å; Y187-L238 HydrophobicContact CD2-CD1 3.68Å; Y187-L238 HydrophobicContact CD2-CD2 3.59Å; Y187-L238 HydrophobicContact CD2-CG 4.22Å; Y187-L238 HydrophobicContact CE1-CD1 4.39Å; Y187-L238 HydrophobicContact CE1-CD2 4.02Å; Y187-L238 HydrophobicContact CE2-CD1 4.28Å; Y187-L238 HydrophobicContact CE2-CD2 3.31Å; Y187-L238 HydrophobicContact CE2-CG 4.4Å; Y187-L238 HydrophobicContact CG-CD1 3.46Å; Y187-L238 VanDerWaalsContact CG-CD1 3.46Å; Y187-L238 HydrophobicContact CG-CD2 4.08Å; Y187-L238 HydrophobicContact CG-CG 4.41Å; Y187-H255 AromaticContact CE2-CE1 3.7Å; Y187-H255 AromaticContact CE2-ND1 3.64Å; Y187-H255 AromaticContact CZ-ND1 3.74Å; Y187-H255 PolarHBondContact OH-ND1 3.25Å
188	S	93.4	Very high	94.8	Very high	61 Å²	61	25.5 Å²	25.5	43%	0.427	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-68	-14.4	170.9	-52.2	0	0	0	0	113.2	S185 L186 Y217	S185-S188 WeakPolarHBondContact O-CB 3.4Å; S185-S188 PolarHBondContact O-N 2.8Å; S185-S188 VanDerWaalsContact O-N 3.1Å; L186-S188 PolarHBondContact O-N 2.55Å; S188-Y217 WeakPolarHBondContact OG-CB 3.18Å
189	L	94.2	Very high	94.9	Very high	95 Å²	95	25.7 Å²	25.7	50%	0.497	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-117.4	26.3	-175.8	-57.4	179.8	0	0	0	112	L186 Y187 H425	L186-L189 HydrophobicContact CD2-CB 4.46Å; L186-L189 HydrophobicContact CD2-CD1 4.14Å; L186-L189 CarbonylContact O-C 3.56Å; L186-L189 VanDerWaalsContact O-CA 3.31Å; L186-L189 WeakPolarHBondContact O-CA 3.43Å; L186-L189 PolarHBondContact O-N 2.95Å; Y187-L189 PolarHBondContact O-N 2.69Å; L189-H425 PolarHBondContact O-NE2 2.66Å
190	G	95.6	Very high	95	Very high	1 Å²	1	25 Å²	25	1%	0.01	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	3.5	170.1	0	0	0	0	0	116	F63 Y64 L186 Y187 H506	F63-G190 CarbonylContact C-O 3.46Å; F63-G190 WeakPolarHBondContact CA-O 3.37Å; Y64-G190 PolarHBondContact N-O 2.63Å; Y64-G190 WeakPolarHBondContact O-CA 3.34Å; L186-G190 PolarHBondContact O-N 3.43Å; Y187-G190 PolarHBondContact O-N 3.37Å; G190-H506 PolarHBondContact O-NE2 3.2Å
191	M	97.3	Very high	95.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.146	C	C	.	.			trans	-63.7	143.4	174.3	-168.8	171.2	91.8	0	0	111.5	L186 Y187 H255 F494 H506	L186-M191 VanDerWaalsContact C-CB 3.46Å; L186-M191 HydrophobicContact CB-CB 3.82Å; L186-M191 HydrophobicContact CB-CG 4.42Å; L186-M191 HydrophobicContact CB-SD 3.74Å; L186-M191 HydrophobicContact CD1-SD 4.22Å; L186-M191 VanDerWaalsContact O-CB 3.24Å; L186-M191 WeakPolarHBondContact O-CB 3.1Å; L186-M191 PolarHBondContact O-N 3.21Å; Y187-M191 HydrophobicContact CD1-CB 4.19Å; Y187-M191 HydrophobicContact CD1-CE 4.01Å; Y187-M191 HydrophobicContact CD1-CG 4.48Å; Y187-M191 VanDerWaalsContact CD1-O 3.25Å; Y187-M191 WeakPolarHBondContact CD1-O 3.5Å; Y187-M191 HydrophobicContact CD2-CE 3.77Å; Y187-M191 HydrophobicContact CE1-CE 3.55Å; Y187-M191 HydrophobicContact CE1-CG 4.34Å; Y187-M191 HydrophobicContact CE2-CE 3.27Å; Y187-M191 HydrophobicContact CG-CE 4.09Å; Y187-M191 WeakPolarHBondContact OH-CE 3.34Å; M191-H255 VanDerWaalsContact CE-CE1 3.45Å; M191-H255 WeakPolarHBondContact CE-CE1 3.4Å; M191-F494 HydrophobicContact CE-CB 4.46Å; M191-F494 VanDerWaalsContact SD-C 3.54Å; M191-F494 HydrophobicContact SD-CB 3.7Å; M191-H506 WeakPolarHBondContact CA-NE2 3.5Å
192	R	98.3	Very high	95.6	Very high	61 Å²	61	32.3 Å²	32.3	23%	0.23	18%	0.175	C	C	.	.			trans	-115.4	142.7	176	-74.2	-176.3	-176.8	-171.5	1.8	111.6	R210 V211 I215 H506	R192-R210 HydrophobicContact CB-CB 3.9Å; R192-R210 HydrophobicContact CB-CG 4.48Å; R192-R210 VanDerWaalsContact O-CD 3.3Å; R192-R210 WeakPolarHBondContact O-CD 3.42Å; R192-R210 PolarHBondContact O-NH1 3.17Å; R192-V211 VanDerWaalsContact CB-O 3.31Å; R192-V211 WeakPolarHBondContact CB-O 3.31Å; R192-I215 HydrophobicContact CB-CD1 4.37Å; R192-I215 HydrophobicContact CG-CD1 3.78Å; R192-H506 PolarHBondContact N-NE2 3.01Å
193	P	98.1	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.			trans	-62.2	161.5	168.1	28.3	-35.4	0	0	0	111.1	F160 R210 V211 W240	F160-P193 HydrophobicContact CE2-CB 4.46Å; F160-P193 HydrophobicContact CZ-CB 4.11Å; P193-R210 WeakPolarHBondContact O-CA 3.25Å; P193-V211 WeakPolarHBondContact CD-O 3.46Å; P193-V211 HydrophobicContact CG-CG2 4.33Å; P193-V211 WeakPolarHBondContact CG-O 3.48Å; P193-V211 PolarHBondContact O-N 3.41Å; P193-W240 HydrophobicContact CG-CD2 4.28Å; P193-W240 HydrophobicContact CG-CG 4.06Å
194	L	98.6	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	144.2	175.3	-72	167.8	0	0	0	111.1	W208 H209 R210 L253 A254 Y257	L194-W208 HydrophobicContact CB-CE3 3.62Å; L194-W208 HydrophobicContact CB-CZ3 3.97Å; L194-H209 CarbonylContact C-O 3.56Å; L194-H209 WeakPolarHBondContact CA-O 3.42Å; L194-R210 HydrophobicContact CD2-CG 4.01Å; L194-L253 VanDerWaalsContact O-CA 3.31Å; L194-L253 WeakPolarHBondContact O-CA 3.48Å; L194-A254 PolarHBondContact N-O 2.78Å; L194-A254 PolarHBondContact O-N 3.27Å; L194-A254 VanDerWaalsContact O-N 3.07Å; L194-Y257 HydrophobicContact CD1-CD1 3.72Å; L194-Y257 HydrophobicContact CD1-CD2 3.85Å; L194-Y257 HydrophobicContact CD1-CE1 3.92Å; L194-Y257 HydrophobicContact CD1-CE2 4.05Å; L194-Y257 HydrophobicContact CD1-CG 3.67Å; L194-Y257 HydrophobicContact CD2-CD1 4.29Å; L194-Y257 HydrophobicContact CD2-CE1 3.67Å; L194-Y257 HydrophobicContact CD2-CE2 4.29Å; L194-Y257 HydrophobicContact CG-CE1 4.48Å
195	L	98.6	Very high	96.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.1	170.9	-179.3	69.2	0	0	0	110	W208 H209 V211 F244 C251 Y252 L253	L195-W208 VanDerWaalsContact C-CE3 3.44Å; L195-W208 WeakPolarHBondContact O-CA 3Å; L195-H209 PolarHBondContact N-O 3.35Å; L195-H209 PolarHBondContact O-N 2.91Å; L195-H209 VanDerWaalsContact O-N 3.09Å; L195-H209 PolarHBondContact O-ND1 3Å; L195-V211 HydrophobicContact CB-CB 4.18Å; L195-V211 HydrophobicContact CB-CG1 3.5Å; L195-V211 HydrophobicContact CB-CG2 3.62Å; L195-V211 HydrophobicContact CD2-CG1 3.87Å; L195-V211 HydrophobicContact CG-CG1 4.34Å; L195-F244 HydrophobicContact CD1-CD1 4.25Å; L195-F244 HydrophobicContact CD1-CE1 4Å; L195-C251 HydrophobicContact CD1-CB 3.92Å; L195-Y252 CarbonylContact C-O 3.55Å; L195-Y252 WeakPolarHBondContact CA-O 3.27Å; L195-L253 HydrophobicContact CD1-CD2 4.11Å; L195-L253 HydrophobicContact CD1-CG 4.29Å
196	Y	98.7	Very high	97.2	Very high	9 Å²	9	40.9 Å²	40.9	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.6	163.8	-171	-89.3	0	0	0	108.8	H52 I53 E198 A201 W208 C251 Y252	H52-Y196 HydrophobicContact CB-CD2 4.07Å; H52-Y196 HydrophobicContact CB-CE2 3.68Å; H52-Y196 AromaticContact ND1-CD1 3.37Å; H52-Y196 WeakPolarHBondContact ND1-CD1 3.12Å; H52-Y196 AromaticContact ND1-CD2 3.76Å; H52-Y196 AromaticContact ND1-CE1 3.45Å; H52-Y196 WeakPolarHBondContact ND1-CE1 3.37Å; H52-Y196 AromaticContact ND1-CE2 3.86Å; H52-Y196 AromaticContact ND1-CG 3.52Å; H52-Y196 AromaticContact ND1-CZ 3.7Å; I53-Y196 HydrophobicContact CG1-CE2 4.1Å; I53-Y196 PolarHBondContact N-OH 3.25Å; Y196-E198 HydrophobicContact CE1-CG 4.19Å; Y196-A201 HydrophobicContact CE1-CB 4.08Å; Y196-A201 HydrophobicContact CE2-CB 4.28Å; Y196-A201 WeakPolarHBondContact OH-CB 3.47Å; Y196-W208 AromaticContact CD2-CD1 3.76Å; Y196-W208 HydrophobicContact CD2-CD2 4.1Å; Y196-W208 AromaticContact CD2-CG 3.96Å; Y196-W208 HydrophobicContact CD2-CG 3.96Å; Y196-W208 AromaticContact CD2-NE1 3.78Å; Y196-W208 HydrophobicContact CG-CD2 4.33Å; Y196-W208 HydrophobicContact CG-CZ2 4.46Å; Y196-C251 CarbonylContact O-C 3.58Å; Y196-C251 WeakPolarHBondContact O-CA 3.37Å; Y196-Y252 AromaticContact CD1-CD2 3.94Å; Y196-Y252 HydrophobicContact CD1-CD2 3.94Å; Y196-Y252 HydrophobicContact CD1-CE2 4.37Å; Y196-Y252 PolarHBondContact N-O 3.34Å; Y196-Y252 PolarHBondContact O-N 3.49Å
197	S	98.3	Very high	97.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.1	176.4	157.8	0	0	0	0	107.9	T199 A200 A201 D249	S197-T199 VanDerWaalsContact C-N 3.27Å; S197-T199 PolarHBondContact O-N 3.17Å; S197-A200 PolarHBondContact O-N 3.14Å; S197-A200 WeakPolarHBondContact OG-CB 3.4Å; S197-A200 PolarHBondContact OG-N 2.87Å; S197-A201 WeakPolarHBondContact O-CB 3.19Å; S197-A201 PolarHBondContact O-N 3.09Å; S197-D249 VanDerWaalsContact CB-OD2 3.25Å; S197-D249 WeakPolarHBondContact CB-OD2 3.3Å; S197-D249 PolarHBondContact OG-OD2 3.26Å
198	E	98.3	Very high	97.5	Very high	73 Å²	73	41.5 Å²	41.5	34%	0.341	22%	0.219	S	C	.	.	H	α-helix	trans	-63.8	-36.9	178	-72.9	-176.7	-172.8	0	0	111.1	Y196 A201 K202 T250 Y252	Y196-E198 HydrophobicContact CE1-CG 4.19Å; E198-A201 PolarHBondContact O-N 3.32Å; E198-K202 WeakPolarHBondContact O-CB 3.48Å; E198-K202 PolarHBondContact O-N 3.46Å; E198-T250 HydrophobicContact CG-CG2 4.24Å; E198-T250 PolarHBondContact N-O 2.96Å; E198-T250 WeakPolarHBondContact OE1-CG2 3.25Å; E198-T250 WeakPolarHBondContact OE2-CB 3.37Å; E198-Y252 HydrophobicContact CG-CE2 3.97Å; E198-Y252 VanDerWaalsContact OE1-CE2 3.26Å; E198-Y252 WeakPolarHBondContact OE1-CE2 3.37Å; E198-Y252 PolarHBondContact OE1-OH 3.37Å
199	T	97.8	Very high	97.7	Very high	36 Å²	36	40.7 Å²	40.7	22%	0.221	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-47.6	175.1	-57.1	0	0	0	0	111.6	S197 A201 K202 E203 Y246 D249	S197-T199 VanDerWaalsContact C-N 3.27Å; S197-T199 PolarHBondContact O-N 3.17Å; T199-A201 VanDerWaalsContact C-N 3.29Å; T199-A201 PolarHBondContact O-N 3.03Å; T199-K202 PolarHBondContact O-N 3.01Å; T199-E203 HydrophobicContact CG2-CG 4.19Å; T199-E203 WeakPolarHBondContact O-CB 3.26Å; T199-E203 WeakPolarHBondContact O-CG 3.49Å; T199-E203 PolarHBondContact O-N 3.23Å; T199-Y246 HydrophobicContact CG2-CD1 3.87Å; T199-Y246 HydrophobicContact CG2-CD2 3.67Å; T199-Y246 HydrophobicContact CG2-CE1 3.97Å; T199-Y246 HydrophobicContact CG2-CE2 3.83Å; T199-Y246 HydrophobicContact CG2-CG 3.72Å; T199-D249 VanDerWaalsContact CB-OD1 3.32Å; T199-D249 WeakPolarHBondContact CB-OD1 3.44Å; T199-D249 PolarHBondContact N-OD1 3.2Å; T199-D249 VanDerWaalsContact N-OD1 3.13Å; T199-D249 VanDerWaalsContact OG1-CG 3.31Å; T199-D249 PolarHBondContact OG1-OD1 3.28Å
200	A	97.7	Very high	97.9	Very high	9 Å²	9	36.6 Å²	36.6	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-39.7	177.4	0	0	0	0	0	112.2	S197 N204 G205 V206 Y246	S197-A200 PolarHBondContact O-N 3.14Å; S197-A200 WeakPolarHBondContact OG-CB 3.4Å; S197-A200 PolarHBondContact OG-N 2.87Å; A200-N204 CarbonylContact O-C 3.53Å; A200-N204 WeakPolarHBondContact O-CA 3.28Å; A200-N204 WeakPolarHBondContact O-CB 3.48Å; A200-N204 PolarHBondContact O-N 2.98Å; A200-G205 PolarHBondContact O-N 3.37Å; A200-V206 HydrophobicContact CB-CB 4.2Å; A200-V206 PolarHBondContact O-N 3.08Å; A200-Y246 HydrophobicContact CB-CE2 3.97Å
201	A	98.1	Very high	97.9	Very high	13 Å²	13	37.3 Å²	37.3	11%	0.107	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-43.6	177.6	0	0	0	0	0	111.8	I53 Y196 S197 E198 T199 G205 V206	I53-A201 HydrophobicContact CD1-CB 3.89Å; I53-A201 HydrophobicContact CG1-CB 4.26Å; Y196-A201 HydrophobicContact CE1-CB 4.08Å; Y196-A201 HydrophobicContact CE2-CB 4.28Å; Y196-A201 WeakPolarHBondContact OH-CB 3.47Å; S197-A201 WeakPolarHBondContact O-CB 3.19Å; S197-A201 PolarHBondContact O-N 3.09Å; E198-A201 PolarHBondContact O-N 3.32Å; T199-A201 VanDerWaalsContact C-N 3.29Å; T199-A201 PolarHBondContact O-N 3.03Å; A201-G205 VanDerWaalsContact O-CA 3.25Å; A201-G205 WeakPolarHBondContact O-CA 3.49Å; A201-G205 PolarHBondContact O-N 3.07Å; A201-G205 VanDerWaalsContact O-N 3.12Å; A201-V206 WeakPolarHBondContact CA-O 3.28Å; A201-V206 WeakPolarHBondContact CB-O 3.48Å; A201-V206 PolarHBondContact N-O 3.04Å
202	K	97.8	Very high	97.8	Very high	191 Å²	191	38 Å²	38	83%	0.83	20%	0.198	S	C	*	.	H	α-helix	trans	-71.5	-44.2	-179	-175	-177	177.2	-172.6	0	112.8	E198 T199	E198-K202 WeakPolarHBondContact O-CB 3.48Å; E198-K202 PolarHBondContact O-N 3.46Å; T199-K202 PolarHBondContact O-N 3.01Å
203	E	97.5	Very high	97.7	Very high	125 Å²	125	37.3 Å²	37.3	58%	0.584	20%	0.202	S	C	*	.	H	α-helix	trans	-85.7	-36.1	-172.8	-65.3	-175.7	173.7	0	0	112.8	T199	T199-E203 HydrophobicContact CG2-CG 4.19Å; T199-E203 WeakPolarHBondContact O-CB 3.26Å; T199-E203 WeakPolarHBondContact O-CG 3.49Å; T199-E203 PolarHBondContact O-N 3.23Å
204	N	97.1	Very high	97.5	Very high	102 Å²	102	39.8 Å²	39.8	55%	0.545	22%	0.216	S	C	.	.	H	α-helix	trans	-124.2	-0	-170	-59.1	-60.5	0	0	0	113.8	A200 V206 Y246	A200-N204 CarbonylContact O-C 3.53Å; A200-N204 WeakPolarHBondContact O-CA 3.28Å; A200-N204 WeakPolarHBondContact O-CB 3.48Å; A200-N204 PolarHBondContact O-N 2.98Å; N204-V206 HydrophobicContact CB-CG2 3.97Å; N204-V206 PolarHBondContact O-N 3.42Å; N204-Y246 PolarHBondContact ND2-OH 3.14Å
205	G	97.4	Very high	97.4	Very high	36 Å²	36	40.1 Å²	40.1	37%	0.371	22%	0.217	S	C	.	.			trans	65.1	23	-177.4	0	0	0	0	0	113.7	I53 W55 A200 A201	I53-G205 WeakPolarHBondContact CD1-O 3.43Å; W55-G205 PolarHBondContact NE1-O 3.44Å; A200-G205 PolarHBondContact O-N 3.37Å; A201-G205 VanDerWaalsContact O-CA 3.25Å; A201-G205 WeakPolarHBondContact O-CA 3.49Å; A201-G205 PolarHBondContact O-N 3.07Å; A201-G205 VanDerWaalsContact O-N 3.12Å
206	V	97.8	Very high	97.2	Very high	41 Å²	41	45 Å²	45	25%	0.248	24%	0.236	C	C	.	.			trans	-91.7	122.1	-178.6	176.4	0	0	0	0	110.3	W55 A200 A201 N204	W55-V206 HydrophobicContact CH2-CG1 4.12Å; W55-V206 HydrophobicContact CZ2-CG1 3.99Å; A200-V206 HydrophobicContact CB-CB 4.2Å; A200-V206 PolarHBondContact O-N 3.08Å; A201-V206 WeakPolarHBondContact CA-O 3.28Å; A201-V206 WeakPolarHBondContact CB-O 3.48Å; A201-V206 PolarHBondContact N-O 3.04Å; N204-V206 HydrophobicContact CB-CG2 3.97Å; N204-V206 PolarHBondContact O-N 3.42Å
207	G	98.1	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.			trans	-96	-144.5	176.3	0	0	0	0	0	114.1	W55 H209	W55-G207 VanDerWaalsContact CD2-N 3.33Å; W55-G207 VanDerWaalsContact CG-N 3.27Å; G207-H209 PolarHBondContact O-N 3.13Å; G207-H209 PolarHBondContact O-ND1 3.18Å
208	W	98.4	Very high	96.7	Very high	16 Å²	16	47.7 Å²	47.7	6%	0.061	25%	0.247	C	C	.	.			trans	-63.9	126.5	-178.5	-74.6	101.6	0	0	0	111.7	H52 W55 Y161 L194 L195 Y196 Y252 A254 Y257 P258	H52-W208 AromaticContact CD2-CE2 3.94Å; H52-W208 AromaticContact CD2-CZ2 3.8Å; H52-W208 AromaticContact CD2-NE1 3.47Å; H52-W208 PolarHBondContact CD2-NE1 3.48Å; H52-W208 AromaticContact CE1-CZ2 3.83Å; H52-W208 AromaticContact CG-CE2 3.92Å; H52-W208 AromaticContact CG-NE1 3.27Å; H52-W208 VanDerWaalsContact CG-NE1 3.27Å; H52-W208 AromaticContact ND1-NE1 3.91Å; H52-W208 AromaticContact NE2-CZ2 3.64Å; W55-W208 VanDerWaalsContact CE3-O 3.3Å; W55-W208 WeakPolarHBondContact CZ3-O 3Å; Y161-W208 HydrophobicContact CD2-CH2 4.2Å; Y161-W208 AromaticContact CE2-CH2 3.83Å; Y161-W208 HydrophobicContact CE2-CH2 3.83Å; Y161-W208 AromaticContact CE2-CZ2 3.96Å; Y161-W208 HydrophobicContact CE2-CZ2 3.96Å; L194-W208 HydrophobicContact CB-CE3 3.62Å; L194-W208 HydrophobicContact CB-CZ3 3.97Å; L195-W208 VanDerWaalsContact C-CE3 3.44Å; L195-W208 WeakPolarHBondContact O-CA 3Å; Y196-W208 AromaticContact CD2-CD1 3.76Å; Y196-W208 HydrophobicContact CD2-CD2 4.1Å; Y196-W208 AromaticContact CD2-CG 3.96Å; Y196-W208 HydrophobicContact CD2-CG 3.96Å; Y196-W208 AromaticContact CD2-NE1 3.78Å; Y196-W208 HydrophobicContact CG-CD2 4.33Å; Y196-W208 HydrophobicContact CG-CZ2 4.46Å; W208-Y252 WeakPolarHBondContact CZ3-O 3.32Å; W208-A254 HydrophobicContact CH2-CB 3.76Å; W208-A254 HydrophobicContact CZ3-CB 3.81Å; W208-Y257 HydrophobicContact CB-CD1 3.56Å; W208-Y257 HydrophobicContact CB-CE1 3.6Å; W208-Y257 HydrophobicContact CG-CD1 4.07Å; W208-P258 HydrophobicContact CH2-CG 4.12Å; W208-P258 HydrophobicContact CZ2-CG 3.64Å
209	H	97.8	Very high	96.4	Very high	44 Å²	44	49 Å²	49	20%	0.204	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.2	177.1	62	-77.7	0	0	0	111.3	W55 E61 L194 L195 G207 V211	W55-H209 HydrophobicContact CH2-CB 4.15Å; W55-H209 HydrophobicContact CZ3-CB 3.8Å; E61-H209 WeakPolarHBondContact OE1-CB 3.19Å; L194-H209 CarbonylContact C-O 3.56Å; L194-H209 WeakPolarHBondContact CA-O 3.42Å; L195-H209 PolarHBondContact N-O 3.35Å; L195-H209 PolarHBondContact O-N 2.91Å; L195-H209 VanDerWaalsContact O-N 3.09Å; L195-H209 PolarHBondContact O-ND1 3Å; G207-H209 PolarHBondContact O-N 3.13Å; G207-H209 PolarHBondContact O-ND1 3.18Å; H209-V211 VanDerWaalsContact CD2-CG1 3.47Å; H209-V211 WeakPolarHBondContact CD2-CG1 3.34Å; H209-V211 WeakPolarHBondContact NE2-CG1 3.44Å
210	R	97.9	Very high	95.9	Very high	8 Å²	8	49.7 Å²	49.7	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.1	-178.1	-65.3	-74.3	-179.6	175.7	5.7	110.6	E61 R192 P193 L194 F494 H506 F507	E61-R210 HydrophobicContact CB-CB 4.32Å; E61-R210 HydrophobicContact CB-CG 4.26Å; E61-R210 WeakPolarHBondContact OE1-CB 3.43Å; E61-R210 PolarHBondContact OE1-N 3.32Å; E61-R210 WeakPolarHBondContact OE2-CG 3.39Å; E61-R210 PolarHBondContact OE2-N 3.19Å; R192-R210 HydrophobicContact CB-CB 3.9Å; R192-R210 HydrophobicContact CB-CG 4.48Å; R192-R210 VanDerWaalsContact O-CD 3.3Å; R192-R210 WeakPolarHBondContact O-CD 3.42Å; R192-R210 PolarHBondContact O-NH1 3.17Å; P193-R210 WeakPolarHBondContact O-CA 3.25Å; L194-R210 HydrophobicContact CD2-CG 4.01Å; R210-F494 PolarHBondContact NH2-O 3.09Å; R210-H506 HydrophobicContact CG-CB 4.03Å; R210-H506 PolarHBondContact NE-CD2 3.03Å; R210-F507 PolarHBondContact NH2-O 3.36Å
211	V	97.1	Very high	94.9	Very high	17 Å²	17	55.2 Å²	55.2	10%	0.103	29%	0.292	C	S	.	.			trans	-124.9	171.1	179.7	-61.7	0	0	0	0	112.1	R192 P193 L195 H209 V242 L253	R192-V211 VanDerWaalsContact CB-O 3.31Å; R192-V211 WeakPolarHBondContact CB-O 3.31Å; P193-V211 WeakPolarHBondContact CD-O 3.46Å; P193-V211 HydrophobicContact CG-CG2 4.33Å; P193-V211 WeakPolarHBondContact CG-O 3.48Å; P193-V211 PolarHBondContact O-N 3.41Å; L195-V211 HydrophobicContact CB-CB 4.18Å; L195-V211 HydrophobicContact CB-CG1 3.5Å; L195-V211 HydrophobicContact CB-CG2 3.62Å; L195-V211 HydrophobicContact CD2-CG1 3.87Å; L195-V211 HydrophobicContact CG-CG1 4.34Å; H209-V211 VanDerWaalsContact CD2-CG1 3.47Å; H209-V211 WeakPolarHBondContact CD2-CG1 3.34Å; H209-V211 WeakPolarHBondContact NE2-CG1 3.44Å; V211-V242 HydrophobicContact CB-CG2 4.17Å; V211-V242 HydrophobicContact CG2-CG2 3.95Å; V211-L253 HydrophobicContact CG2-CD2 4.31Å
212	G	95.6	Very high	93	Very high	15 Å²	15	58.5 Å²	58.5	16%	0.155	32%	0.315	C	S	.	.			trans	113.8	142.1	167.1	0	0	0	0	0	114	T241	G212-T241 CarbonylContact C-O 3.44Å; G212-T241 WeakPolarHBondContact CA-O 3.47Å
213	S	94.7	Very high	90.7	Very high	47 Å²	47	58.6 Å²	58.6	33%	0.329	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	169.3	170.7	47.4	0	0	0	0	109.9	I215 T241	S213-I215 PolarHBondContact O-N 3.33Å; S213-T241 PolarHBondContact N-O 2.97Å; S213-T241 PolarHBondContact O-N 3.22Å; S213-T241 PolarHBondContact O-OG1 3.24Å; S213-T241 PolarHBondContact OG-OG1 2.9Å
214	N	94.6	Very high	88.2	Confident	52 Å²	52	59.4 Å²	59.4	28%	0.278	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.7	44.1	-176.9	-57.5	-44.7	0	0	0	112	Y64 E70 T241	Y64-N214 WeakPolarHBondContact OH-CA 3.26Å; Y64-N214 PolarHBondContact OH-N 3.42Å; Y64-N214 VanDerWaalsContact OH-N 3.17Å; E70-N214 HydrophobicContact CG-CB 4.46Å; N214-T241 HydrophobicContact CB-CG2 4.24Å; N214-T241 PolarHBondContact ND2-OG1 3.19Å
215	I	95.8	Very high	85.7	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.6	-175.8	-56.5	179.8	0	0	0	108.5	Y64 Y187 R192 S213 L238 T239 W240	Y64-I215 HydrophobicContact CD1-CB 3.85Å; Y64-I215 HydrophobicContact CD1-CD1 4.37Å; Y64-I215 HydrophobicContact CD1-CG1 4.28Å; Y64-I215 HydrophobicContact CD2-CD1 4.42Å; Y64-I215 HydrophobicContact CE1-CB 3.93Å; Y64-I215 HydrophobicContact CE1-CG1 4.46Å; Y64-I215 HydrophobicContact CG-CB 4.39Å; Y64-I215 HydrophobicContact CG-CD1 4.06Å; Y64-I215 HydrophobicContact CG-CG1 4.33Å; Y187-I215 HydrophobicContact CD1-CG2 4.02Å; Y187-I215 HydrophobicContact CG-CG2 4.49Å; R192-I215 HydrophobicContact CB-CD1 4.37Å; R192-I215 HydrophobicContact CG-CD1 3.78Å; S213-I215 PolarHBondContact O-N 3.33Å; I215-L238 HydrophobicContact CG2-CD1 4.09Å; I215-T239 VanDerWaalsContact CA-O 3.3Å; I215-T239 WeakPolarHBondContact CA-O 3.11Å; I215-W240 HydrophobicContact CG1-CB 3.87Å
216	R	94.3	Very high	83.1	Confident	104 Å²	104	64.1 Å²	64.1	39%	0.392	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.2	175.9	-169	-179.3	172.1	174.8	-4.4	111	F218 L238 T239	R216-F218 HydrophobicContact CB-CD1 4.38Å; R216-F218 HydrophobicContact CG-CD1 3.93Å; R216-L238 WeakPolarHBondContact O-CA 3.34Å; R216-T239 HydrophobicContact CB-CG2 3.84Å; R216-T239 PolarHBondContact N-O 2.92Å; R216-T239 PolarHBondContact O-N 3.39Å
217	Y	93.6	Very high	80.4	Confident	20 Å²	20	70.9 Å²	70.9	8%	0.078	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.4	172.8	-169	-89.4	0	0	0	108.6	L180 K182 S188 Y236 S237 L238	L180-Y217 HydrophobicContact CB-CE2 4.27Å; L180-Y217 HydrophobicContact CD1-CD2 4.35Å; L180-Y217 HydrophobicContact CD1-CE2 3.6Å; K182-Y217 VanDerWaalsContact O-CE1 3.25Å; K182-Y217 WeakPolarHBondContact O-CE1 3.23Å; K182-Y217 VanDerWaalsContact O-CZ 3.26Å; K182-Y217 PolarHBondContact O-OH 3.19Å; S188-Y217 WeakPolarHBondContact OG-CB 3.18Å; Y217-Y236 AromaticContact CE1-CD1 3.82Å; Y217-Y236 HydrophobicContact CE1-CD1 3.82Å; Y217-Y236 AromaticContact CE1-CG 3.95Å; Y217-Y236 HydrophobicContact CE1-CG 3.95Å; Y217-Y236 WeakPolarHBondContact OH-CB 3.43Å; Y217-S237 VanDerWaalsContact CA-O 3.28Å; Y217-S237 WeakPolarHBondContact CA-O 3.34Å; Y217-L238 HydrophobicContact CD2-CB 4.06Å; Y217-L238 HydrophobicContact CD2-CD1 4.35Å; Y217-L238 HydrophobicContact CE2-CB 4.49Å
218	F	92.4	Very high	77.6	Confident	45 Å²	45	76.4 Å²	76.4	20%	0.197	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	156.2	-170.9	59.2	-82	0	0	0	111.8	L72 R216 Y236 S237 T239	L72-F218 HydrophobicContact CD2-CD1 4.04Å; L72-F218 HydrophobicContact CD2-CE1 3.54Å; L72-F218 HydrophobicContact CD2-CE2 4.12Å; L72-F218 HydrophobicContact CD2-CZ 3.59Å; R216-F218 HydrophobicContact CB-CD1 4.38Å; R216-F218 HydrophobicContact CG-CD1 3.93Å; F218-Y236 CarbonylContact O-C 3.56Å; F218-Y236 VanDerWaalsContact O-CA 3.25Å; F218-Y236 WeakPolarHBondContact O-CA 3.29Å; F218-Y236 WeakPolarHBondContact O-CB 3.29Å; F218-S237 VanDerWaalsContact CZ-CB 3.42Å; F218-S237 PolarHBondContact N-O 3.41Å; F218-S237 PolarHBondContact O-N 3.06Å; F218-T239 HydrophobicContact CE1-CG2 3.97Å
219	Q	92.1	Very high	74.6	Confident	102 Å²	102	84.5 Å²	84.5	48%	0.477	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.4	174.3	-168.9	175.3	-3.9	0	0	109.7	S234 Y236	Q219-S234 PolarHBondContact NE2-OG 2.78Å; Q219-Y236 VanDerWaalsContact CA-CD1 3.45Å; Q219-Y236 HydrophobicContact CB-CD1 3.84Å; Q219-Y236 HydrophobicContact CB-CE1 3.51Å; Q219-Y236 HydrophobicContact CG-CD1 4.31Å; Q219-Y236 HydrophobicContact CG-CE1 3.78Å
220	N	89.1	Confident	71.9	Confident	49 Å²	49	89.1 Å²	89.1	26%	0.262	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-71.2	143.6	175.6	-61.7	-2.2	0	0	0	110	T178 L235 S237	T178-N220 PolarHBondContact O-ND2 3.44Å; N220-L235 WeakPolarHBondContact CB-O 3.33Å; N220-L235 PolarHBondContact N-O 2.91Å; N220-S237 WeakPolarHBondContact OD1-CB 3.48Å; N220-S237 PolarHBondContact OD1-N 3.34Å; N220-S237 VanDerWaalsContact OD1-N 3.15Å; N220-S237 PolarHBondContact OD1-OG 2.59Å
221	C	74.8	Confident	69.2	Low	126 Å²	126	93.4 Å²	93.4	85%	0.851	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-73.7	127.7	170.7	-61.7	0	0	0	0	109
222	S	58.1	Low	67.1	Low	82 Å²	82	95.6 Å²	95.6	57%	0.573	55%	0.551	S	S	*	*			trans	-86.6	112.9	171.1	164.7	0	0	0	0	108.5	D224 A225	S222-D224 PolarHBondContact OG-N 2.62Å; S222-A225 PolarHBondContact OG-N 2.79Å
223	E	49.8	Very low	65.6	Low	192 Å²	192	99.9 Å²	99.9	90%	0.897	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-19.6	170.5	-68.5	-173.3	165.8	0	0	111.9
224	D	45.4	Very low	65.1	Low	143 Å²	143	100.3 Å²	100.3	77%	0.765	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	35.8	-175.2	-65.3	-41.1	0	0	0	114.4	S222 N226	S222-D224 PolarHBondContact OG-N 2.62Å; D224-N226 PolarHBondContact O-N 3.23Å
225	A	45.8	Very low	64.9	Low	80 Å²	80	101.2 Å²	101.2	66%	0.661	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	6.8	-179.2	0	0	0	0	0	114.6	S222	S222-A225 PolarHBondContact OG-N 2.79Å
226	N	41.1	Very low	64.8	Low	156 Å²	156	102.4 Å²	102.4	83%	0.834	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-4.4	-168.2	-88.8	-9.4	0	0	0	117.6	D224	D224-N226 PolarHBondContact O-N 3.23Å
227	E	42.8	Very low	64.9	Low	184 Å²	184	97.8 Å²	97.8	86%	0.86	57%	0.565	S	S	*	*	S	Bend	trans	-133.5	0.2	-173.2	-71.8	-163.2	167.2	0	0	119.4
228	T	38.1	Very low	65	Low	116 Å²	116	96.9 Å²	96.9	71%	0.712	56%	0.562	S	S	*	*			trans	-142.8	121.4	171.1	52.6	0	0	0	0	113	D230	T228-D230 PolarHBondContact O-N 2.9Å
229	N	36.8	Very low	65.2	Low	185 Å²	185	94.8 Å²	94.8	99%	0.989	55%	0.553	S	S	*	*			trans	-65.9	22.1	170.7	-78.8	-35.2	0	0	0	113.9
230	D	40	Very low	65.5	Low	142 Å²	142	90 Å²	90	76%	0.759	53%	0.53	S	S	*	.			trans	-90.8	111	172.4	-144.1	10.7	0	0	0	107.1	T228 G232	T228-D230 PolarHBondContact O-N 2.9Å; D230-G232 PolarHBondContact O-N 3.23Å
231	A	40.5	Very low	65.8	Low	98 Å²	98	88 Å²	88	81%	0.81	52%	0.52	S	S	*	.			trans	-69	73.2	-177.7	0	0	0	0	0	110.1	D233	A231-D233 PolarHBondContact O-N 3.17Å
232	G	53	Low	66.9	Low	63 Å²	63	82.3 Å²	82.3	65%	0.649	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-59.9	129.9	170.4	0	0	0	0	0	109.7	D230 S234	D230-G232 PolarHBondContact O-N 3.23Å; G232-S234 PolarHBondContact O-N 3.15Å
233	D	65.6	Low	68.7	Low	105 Å²	105	85.6 Å²	85.6	56%	0.561	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-57.1	123.3	176.3	-81.9	-37	0	0	0	109.6	A231 L235	A231-D233 PolarHBondContact O-N 3.17Å; D233-L235 PolarHBondContact O-N 3.29Å
234	S	83.3	Confident	70.9	Confident	56 Å²	56	76.5 Å²	76.5	39%	0.392	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-58.6	128.5	175.3	-67.7	0	0	0	0	110.5	Q219 G232 Y236	Q219-S234 PolarHBondContact NE2-OG 2.78Å; G232-S234 PolarHBondContact O-N 3.15Å; S234-Y236 VanDerWaalsContact O-CD2 3.23Å; S234-Y236 WeakPolarHBondContact O-CD2 3.12Å; S234-Y236 WeakPolarHBondContact O-CE2 3.34Å
235	L	91.5	Very high	73.2	Confident	70 Å²	70	72.5 Å²	72.5	37%	0.366	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-83.3	155.1	170.9	-63.5	178.5	0	0	0	110.8	N179 L180 M181 N220 D233	N179-L235 HydrophobicContact CB-CD1 4.31Å; L180-L235 CarbonylContact O-C 3.58Å; M181-L235 HydrophobicContact CG-CD2 3.95Å; N220-L235 WeakPolarHBondContact CB-O 3.33Å; N220-L235 PolarHBondContact N-O 2.91Å; D233-L235 PolarHBondContact O-N 3.29Å
236	Y	93.5	Very high	75.6	Confident	32 Å²	32	71.7 Å²	71.7	13%	0.125	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149	-177	-65.3	-97.1	0	0	0	109.8	T178 L180 K182 A183 Y217 F218 Q219 S234	T178-Y236 CarbonylContact C-O 3.53Å; L180-Y236 WeakPolarHBondContact CB-O 3.25Å; L180-Y236 PolarHBondContact N-O 3.42Å; L180-Y236 WeakPolarHBondContact O-CB 3.45Å; L180-Y236 PolarHBondContact O-N 2.77Å; K182-Y236 WeakPolarHBondContact O-CD2 3.35Å; A183-Y236 VanDerWaalsContact CA-CE2 3.46Å; A183-Y236 HydrophobicContact CB-CE1 4.28Å; A183-Y236 HydrophobicContact CB-CE2 3.95Å; A183-Y236 VanDerWaalsContact CB-OH 3.28Å; A183-Y236 WeakPolarHBondContact CB-OH 3.28Å; Y217-Y236 AromaticContact CE1-CD1 3.82Å; Y217-Y236 HydrophobicContact CE1-CD1 3.82Å; Y217-Y236 AromaticContact CE1-CG 3.95Å; Y217-Y236 HydrophobicContact CE1-CG 3.95Å; Y217-Y236 WeakPolarHBondContact OH-CB 3.43Å; F218-Y236 CarbonylContact O-C 3.56Å; F218-Y236 VanDerWaalsContact O-CA 3.25Å; F218-Y236 WeakPolarHBondContact O-CA 3.29Å; F218-Y236 WeakPolarHBondContact O-CB 3.29Å; Q219-Y236 VanDerWaalsContact CA-CD1 3.45Å; Q219-Y236 HydrophobicContact CB-CD1 3.84Å; Q219-Y236 HydrophobicContact CB-CE1 3.51Å; Q219-Y236 HydrophobicContact CG-CD1 4.31Å; Q219-Y236 HydrophobicContact CG-CE1 3.78Å; S234-Y236 VanDerWaalsContact O-CD2 3.23Å; S234-Y236 WeakPolarHBondContact O-CD2 3.12Å; S234-Y236 WeakPolarHBondContact O-CE2 3.34Å
237	S	95.3	Very high	78.2	Confident	7 Å²	7	69.3 Å²	69.3	5%	0.049	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.3	178	-71.6	0	0	0	0	112	I177 Y217 F218 N220	I177-S237 CarbonylContact O-C 3.57Å; I177-S237 WeakPolarHBondContact O-CA 3.45Å; I177-S237 WeakPolarHBondContact O-CB 3.45Å; Y217-S237 VanDerWaalsContact CA-O 3.28Å; Y217-S237 WeakPolarHBondContact CA-O 3.34Å; F218-S237 VanDerWaalsContact CZ-CB 3.42Å; F218-S237 PolarHBondContact N-O 3.41Å; F218-S237 PolarHBondContact O-N 3.06Å; N220-S237 WeakPolarHBondContact OD1-CB 3.48Å; N220-S237 PolarHBondContact OD1-N 3.34Å; N220-S237 VanDerWaalsContact OD1-N 3.15Å; N220-S237 PolarHBondContact OD1-OG 2.59Å
238	L	96.5	Very high	80.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.3	167.1	171.8	64.2	0	0	0	108.6	F160 T176 I177 L180 Y187 I215 R216 Y217 W240	F160-L238 HydrophobicContact CE1-CD2 4.17Å; T176-L238 CarbonylContact C-O 3.56Å; T176-L238 WeakPolarHBondContact CA-O 3.47Å; I177-L238 HydrophobicContact CD1-CD2 4.47Å; I177-L238 PolarHBondContact N-O 2.89Å; I177-L238 PolarHBondContact O-N 3.36Å; L180-L238 HydrophobicContact CD1-CB 3.49Å; L180-L238 VanDerWaalsContact CD1-CB 3.49Å; Y187-L238 HydrophobicContact CD1-CD1 3.82Å; Y187-L238 HydrophobicContact CD1-CD2 4.25Å; Y187-L238 HydrophobicContact CD2-CD1 3.68Å; Y187-L238 HydrophobicContact CD2-CD2 3.59Å; Y187-L238 HydrophobicContact CD2-CG 4.22Å; Y187-L238 HydrophobicContact CE1-CD1 4.39Å; Y187-L238 HydrophobicContact CE1-CD2 4.02Å; Y187-L238 HydrophobicContact CE2-CD1 4.28Å; Y187-L238 HydrophobicContact CE2-CD2 3.31Å; Y187-L238 HydrophobicContact CE2-CG 4.4Å; Y187-L238 HydrophobicContact CG-CD1 3.46Å; Y187-L238 VanDerWaalsContact CG-CD1 3.46Å; Y187-L238 HydrophobicContact CG-CD2 4.08Å; Y187-L238 HydrophobicContact CG-CG 4.41Å; I215-L238 HydrophobicContact CG2-CD1 4.09Å; R216-L238 WeakPolarHBondContact O-CA 3.34Å; Y217-L238 HydrophobicContact CD2-CB 4.06Å; Y217-L238 HydrophobicContact CD2-CD1 4.35Å; Y217-L238 HydrophobicContact CE2-CB 4.49Å; L238-W240 HydrophobicContact CD2-CE3 4.11Å; L238-W240 HydrophobicContact CD2-CZ3 3.92Å; L238-W240 HydrophobicContact CG-CE3 3.83Å; L238-W240 HydrophobicContact CG-CZ3 3.94Å
239	T	96.8	Very high	83.2	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142	173.9	-164.5	0	0	0	0	111.1	F175 T176 I215 R216 F218	F175-T239 VanDerWaalsContact O-CA 3.27Å; F175-T239 WeakPolarHBondContact O-CA 3.42Å; F175-T239 PolarHBondContact O-OG1 2.93Å; T176-T239 WeakPolarHBondContact OG1-CB 3.45Å; T176-T239 PolarHBondContact OG1-OG1 2.86Å; I215-T239 VanDerWaalsContact CA-O 3.3Å; I215-T239 WeakPolarHBondContact CA-O 3.11Å; R216-T239 HydrophobicContact CB-CG2 3.84Å; R216-T239 PolarHBondContact N-O 2.92Å; R216-T239 PolarHBondContact O-N 3.39Å; F218-T239 HydrophobicContact CE1-CG2 3.97Å
240	W	97.4	Very high	86.1	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.9	170.7	71.4	101.2	0	0	0	111.1	L145 R174 F175 I177 P193 I215 L238 L253	L145-W240 HydrophobicContact CD1-CH2 4.4Å; R174-W240 WeakPolarHBondContact CA-O 3.39Å; R174-W240 WeakPolarHBondContact CG-O 3.17Å; F175-W240 HydrophobicContact CB-CD2 4.1Å; F175-W240 HydrophobicContact CB-CE3 4.18Å; F175-W240 HydrophobicContact CB-CH2 3.66Å; F175-W240 HydrophobicContact CB-CZ2 3.55Å; F175-W240 HydrophobicContact CB-CZ3 3.98Å; F175-W240 AromaticContact CD2-CE2 3.91Å; F175-W240 AromaticContact CD2-CZ2 3.93Å; F175-W240 HydrophobicContact CD2-CZ2 3.93Å; F175-W240 AromaticContact CD2-NE1 3.78Å; F175-W240 HydrophobicContact CG-CH2 4.49Å; F175-W240 HydrophobicContact CG-CZ2 4.01Å; F175-W240 PolarHBondContact N-O 3.19Å; F175-W240 PolarHBondContact O-N 2.9Å; I177-W240 HydrophobicContact CD1-CH2 3.81Å; I177-W240 HydrophobicContact CD1-CZ3 3.85Å; I177-W240 HydrophobicContact CG1-CH2 4.09Å; I177-W240 HydrophobicContact CG1-CZ3 3.98Å; P193-W240 HydrophobicContact CG-CD2 4.28Å; P193-W240 HydrophobicContact CG-CG 4.06Å; I215-W240 HydrophobicContact CG1-CB 3.87Å; L238-W240 HydrophobicContact CD2-CE3 4.11Å; L238-W240 HydrophobicContact CD2-CZ3 3.92Å; L238-W240 HydrophobicContact CG-CE3 3.83Å; L238-W240 HydrophobicContact CG-CZ3 3.94Å; W240-L253 HydrophobicContact CZ2-CD1 4.49Å
241	T	96.9	Very high	88.8	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.2	172.2	52.9	0	0	0	0	110.6	I172 Y173 R174 G212 S213 N214	I172-T241 HydrophobicContact CG2-CG2 3.92Å; Y173-T241 CarbonylContact O-C 3.54Å; Y173-T241 WeakPolarHBondContact O-CA 3.1Å; R174-T241 HydrophobicContact CB-CG2 3.99Å; R174-T241 HydrophobicContact CG-CG2 3.72Å; G212-T241 CarbonylContact C-O 3.44Å; G212-T241 WeakPolarHBondContact CA-O 3.47Å; S213-T241 PolarHBondContact N-O 2.97Å; S213-T241 PolarHBondContact O-N 3.22Å; S213-T241 PolarHBondContact O-OG1 3.24Å; S213-T241 PolarHBondContact OG-OG1 2.9Å; N214-T241 HydrophobicContact CB-CG2 4.24Å; N214-T241 PolarHBondContact ND2-OG1 3.19Å
242	V	96.8	Very high	91.6	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.8	178.4	64.5	0	0	0	0	110.3	Y173 F175 V211 F244	Y173-V242 PolarHBondContact N-O 3.42Å; Y173-V242 PolarHBondContact O-N 3.08Å; F175-V242 HydrophobicContact CD2-CG1 3.91Å; F175-V242 HydrophobicContact CE2-CG1 3.5Å; F175-V242 VanDerWaalsContact CE2-CG1 3.5Å; V211-V242 HydrophobicContact CB-CG2 4.17Å; V211-V242 HydrophobicContact CG2-CG2 3.95Å; V242-F244 HydrophobicContact CG1-CE2 4.33Å; V242-F244 HydrophobicContact CG1-CZ 4.23Å
243	R	96.5	Very high	93.8	Very high	151 Å²	151	37.3 Å²	37.3	57%	0.57	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.6	168.5	-66.2	-175.3	177.5	106.4	-2.1	108.3	K170 M171 I172	K170-R243 WeakPolarHBondContact O-CD 3.27Å; M171-R243 WeakPolarHBondContact O-CA 3.49Å; I172-R243 VanDerWaalsContact CD1-NH2 3.3Å; I172-R243 HydrophobicContact CG1-CG 4.08Å
244	F	96.1	Very high	95.4	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	17%	0.171	C	C	.	.			trans	-80.2	143.4	173.5	-64.1	-77.2	0	0	0	110.3	L121 V164 M167 K170 Y173 F175 L195 V242 C251	L121-F244 HydrophobicContact CD1-CE2 4.47Å; V164-F244 HydrophobicContact CG1-CZ 4.21Å; M167-F244 HydrophobicContact CB-CB 4.17Å; M167-F244 HydrophobicContact CB-CD2 3.5Å; M167-F244 HydrophobicContact CB-CE2 4.04Å; M167-F244 HydrophobicContact CB-CG 3.91Å; M167-F244 HydrophobicContact CE-CD1 4.37Å; M167-F244 HydrophobicContact CE-CE1 4.28Å; M167-F244 HydrophobicContact CE-CE2 4.47Å; M167-F244 HydrophobicContact CE-CZ 4.33Å; M167-F244 HydrophobicContact CG-CB 3.62Å; M167-F244 HydrophobicContact CG-CD1 4.26Å; M167-F244 HydrophobicContact CG-CD2 3.81Å; M167-F244 HydrophobicContact CG-CG 3.64Å; K170-F244 PolarHBondContact N-O 2.89Å; K170-F244 VanDerWaalsContact N-O 3.07Å; Y173-F244 HydrophobicContact CD1-CE2 4.43Å; Y173-F244 AromaticContact CD2-CD2 3.46Å; Y173-F244 HydrophobicContact CD2-CD2 3.46Å; Y173-F244 VanDerWaalsContact CD2-CD2 3.46Å; Y173-F244 AromaticContact CD2-CE2 3.59Å; Y173-F244 HydrophobicContact CD2-CE2 3.59Å; Y173-F244 AromaticContact CE2-CD2 3.69Å; Y173-F244 HydrophobicContact CE2-CD2 3.69Å; Y173-F244 HydrophobicContact CE2-CE2 4.07Å; Y173-F244 HydrophobicContact CG-CD2 4.15Å; Y173-F244 AromaticContact CG-CE2 3.78Å; Y173-F244 HydrophobicContact CG-CE2 3.78Å; F175-F244 HydrophobicContact CE2-CE2 4.48Å; F175-F244 HydrophobicContact CE2-CZ 4.11Å; F175-F244 HydrophobicContact CZ-CE2 4.37Å; F175-F244 HydrophobicContact CZ-CZ 4.1Å; L195-F244 HydrophobicContact CD1-CD1 4.25Å; L195-F244 HydrophobicContact CD1-CE1 4Å; V242-F244 HydrophobicContact CG1-CE2 4.33Å; V242-F244 HydrophobicContact CG1-CZ 4.23Å; F244-C251 HydrophobicContact CD1-CB 3.91Å; F244-C251 HydrophobicContact CE1-CB 3.75Å
245	P	93.4	Very high	96.1	Very high	59 Å²	59	29.7 Å²	29.7	38%	0.383	15%	0.152	S	C	.	.	S	Bend	trans	-74	-31.8	-175.9	25.6	-31	0	0	0	113.5
246	Y	96.1	Very high	96.4	Very high	63 Å²	63	26.3 Å²	26.3	25%	0.247	14%	0.135	C	C	.	.	S	Bend	trans	-129.7	153.3	-173.9	-53.9	-82.1	0	0	0	112	T199 A200 N204	T199-Y246 HydrophobicContact CG2-CD1 3.87Å; T199-Y246 HydrophobicContact CG2-CD2 3.67Å; T199-Y246 HydrophobicContact CG2-CE1 3.97Å; T199-Y246 HydrophobicContact CG2-CE2 3.83Å; T199-Y246 HydrophobicContact CG2-CG 3.72Å; A200-Y246 HydrophobicContact CB-CE2 3.97Å; N204-Y246 PolarHBondContact ND2-OH 3.14Å
247	D	94.6	Very high	96.6	Very high	106 Å²	106	25 Å²	25	57%	0.567	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	141.6	171.5	-68.6	-58.3	0	0	0	109.4	K168 A169 D249	K168-D247 VanDerWaalsContact CA-OD1 3.26Å; K168-D247 WeakPolarHBondContact CA-OD1 3.35Å; A169-D247 PolarHBondContact N-OD1 3Å; D247-D249 PolarHBondContact O-N 3.05Å
248	S	90.3	Very high	96.8	Very high	91 Å²	91	25.2 Å²	25.2	64%	0.636	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	28.1	173.5	-55.9	0	0	0	0	114.9	M167	M167-S248 PolarHBondContact O-N 3.44Å
249	D	95.7	Very high	96.9	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	13%	0.131	C	C	.	.			trans	-71.9	169.2	177.4	-165.2	12.6	0	0	0	112.4	M167 S197 T199 D247 C251	M167-D249 HydrophobicContact SD-CB 3.91Å; M167-D249 PolarHBondContact SD-N 3.39Å; S197-D249 VanDerWaalsContact CB-OD2 3.25Å; S197-D249 WeakPolarHBondContact CB-OD2 3.3Å; S197-D249 PolarHBondContact OG-OD2 3.26Å; T199-D249 VanDerWaalsContact CB-OD1 3.32Å; T199-D249 WeakPolarHBondContact CB-OD1 3.44Å; T199-D249 PolarHBondContact N-OD1 3.2Å; T199-D249 VanDerWaalsContact N-OD1 3.13Å; T199-D249 VanDerWaalsContact OG1-CG 3.31Å; T199-D249 PolarHBondContact OG1-OD1 3.28Å; D247-D249 PolarHBondContact O-N 3.05Å; D249-C251 PolarHBondContact OD2-SG 3.28Å
250	T	97.4	Very high	96.9	Very high	17 Å²	17	26.8 Å²	26.8	10%	0.104	14%	0.14	C	C	.	.			trans	-105.3	110.2	160.7	-61.4	0	0	0	0	109	R163 R165 E198 Y252	R163-T250 HydrophobicContact CG-CG2 3.71Å; R165-T250 HydrophobicContact CG-CG2 4.18Å; R165-T250 PolarHBondContact NE-OG1 3.17Å; E198-T250 HydrophobicContact CG-CG2 4.24Å; E198-T250 PolarHBondContact N-O 2.96Å; E198-T250 WeakPolarHBondContact OE1-CG2 3.25Å; E198-T250 WeakPolarHBondContact OE2-CB 3.37Å; T250-Y252 HydrophobicContact CG2-CE2 3.88Å
251	C	98.3	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	155.4	-179.9	-80.6	0	0	0	0	111.4	R163 V164 M167 L195 Y196 F244 D249	R163-C251 CarbonylContact C-O 3.52Å; R163-C251 WeakPolarHBondContact CA-O 3.29Å; V164-C251 PolarHBondContact N-O 3.18Å; V164-C251 PolarHBondContact O-N 2.7Å; M167-C251 HydrophobicContact CE-CB 4.4Å; L195-C251 HydrophobicContact CD1-CB 3.92Å; Y196-C251 CarbonylContact O-C 3.58Å; Y196-C251 WeakPolarHBondContact O-CA 3.37Å; F244-C251 HydrophobicContact CD1-CB 3.91Å; F244-C251 HydrophobicContact CE1-CB 3.75Å; D249-C251 PolarHBondContact OD2-SG 3.28Å
252	Y	98.8	Very high	97	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.6	172.9	-55.4	-100.9	0	0	0	110.7	I50 H52 F127 Y161 F162 R163 L195 Y196 E198 W208 T250	I50-Y252 HydrophobicContact CD1-CE1 3.85Å; I50-Y252 HydrophobicContact CG1-CE1 4.16Å; I50-Y252 HydrophobicContact CG2-CE1 3.79Å; H52-Y252 AromaticContact CE1-CD2 3.76Å; H52-Y252 AromaticContact CE1-CE2 3.97Å; H52-Y252 AromaticContact CE1-CG 3.95Å; F127-Y252 HydrophobicContact CZ-CD1 4.24Å; F127-Y252 HydrophobicContact CZ-CE1 4.34Å; Y161-Y252 AromaticContact CE2-CD1 3.87Å; Y161-Y252 HydrophobicContact CE2-CD1 3.87Å; Y161-Y252 HydrophobicContact CE2-CG 4.23Å; F162-Y252 VanDerWaalsContact O-CA 3.3Å; F162-Y252 WeakPolarHBondContact O-CA 3.49Å; R163-Y252 HydrophobicContact CB-CD1 3.75Å; R163-Y252 HydrophobicContact CB-CE1 3.62Å; R163-Y252 HydrophobicContact CG-CD1 4.09Å; R163-Y252 HydrophobicContact CG-CE1 3.67Å; L195-Y252 CarbonylContact C-O 3.55Å; L195-Y252 WeakPolarHBondContact CA-O 3.27Å; Y196-Y252 AromaticContact CD1-CD2 3.94Å; Y196-Y252 HydrophobicContact CD1-CD2 3.94Å; Y196-Y252 HydrophobicContact CD1-CE2 4.37Å; Y196-Y252 PolarHBondContact N-O 3.34Å; Y196-Y252 PolarHBondContact O-N 3.49Å; E198-Y252 HydrophobicContact CG-CE2 3.97Å; E198-Y252 VanDerWaalsContact OE1-CE2 3.26Å; E198-Y252 WeakPolarHBondContact OE1-CE2 3.37Å; E198-Y252 PolarHBondContact OE1-OH 3.37Å; W208-Y252 WeakPolarHBondContact CZ3-O 3.32Å; T250-Y252 HydrophobicContact CG2-CE2 3.88Å
253	L	98.8	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.8	175	-75.4	157.7	0	0	0	109.6	Y161 F162 V164 F175 L194 L195 V211 W240	Y161-L253 VanDerWaalsContact CA-O 3.31Å; Y161-L253 WeakPolarHBondContact CA-O 3.32Å; F162-L253 HydrophobicContact CE1-CB 4.18Å; F162-L253 HydrophobicContact CE2-CB 3.99Å; F162-L253 HydrophobicContact CE2-CD1 3.74Å; F162-L253 HydrophobicContact CE2-CG 4.48Å; F162-L253 HydrophobicContact CZ-CB 3.78Å; F162-L253 HydrophobicContact CZ-CD1 3.81Å; F162-L253 HydrophobicContact CZ-CG 4.46Å; F162-L253 PolarHBondContact N-O 3.47Å; F162-L253 VanDerWaalsContact N-O 3.07Å; F162-L253 PolarHBondContact O-N 2.71Å; V164-L253 HydrophobicContact CG2-CD1 4.21Å; F175-L253 HydrophobicContact CD2-CD1 4.01Å; F175-L253 HydrophobicContact CE2-CD1 3.63Å; F175-L253 HydrophobicContact CZ-CD1 4.17Å; L194-L253 VanDerWaalsContact O-CA 3.31Å; L194-L253 WeakPolarHBondContact O-CA 3.48Å; L195-L253 HydrophobicContact CD1-CD2 4.11Å; L195-L253 HydrophobicContact CD1-CG 4.29Å; V211-L253 HydrophobicContact CG2-CD2 4.31Å; W240-L253 HydrophobicContact CZ2-CD1 4.49Å
254	A	98.6	Very high	97.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.5	-178.4	0	0	0	0	0	113.7	F160 Y161 L194 W208 C256 P258	F160-A254 WeakPolarHBondContact CE2-O 3.5Å; F160-A254 WeakPolarHBondContact O-CA 3.25Å; Y161-A254 HydrophobicContact CD2-CB 3.95Å; Y161-A254 HydrophobicContact CG-CB 4.42Å; L194-A254 PolarHBondContact N-O 2.78Å; L194-A254 PolarHBondContact O-N 3.27Å; L194-A254 VanDerWaalsContact O-N 3.07Å; W208-A254 HydrophobicContact CH2-CB 3.76Å; W208-A254 HydrophobicContact CZ3-CB 3.81Å; A254-C256 WeakPolarHBondContact CB-O 3.48Å; A254-P258 HydrophobicContact CB-CG 4Å
255	H	98.1	Very high	97.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.137	C	C	.	.	S	Bend	trans	-68.4	-38.5	174.7	-174.6	57.5	0	0	0	112.3	W159 F160 Y187 M191	W159-H255 HydrophobicContact CE3-CB 3.94Å; W159-H255 HydrophobicContact CZ3-CB 4.17Å; F160-H255 HydrophobicContact CD1-CB 3.79Å; F160-H255 HydrophobicContact CE1-CB 3.71Å; F160-H255 AromaticContact CE1-ND1 3.72Å; F160-H255 HydrophobicContact CG-CB 4.26Å; F160-H255 HydrophobicContact CZ-CB 4.11Å; F160-H255 PolarHBondContact O-N 3.3Å; Y187-H255 AromaticContact CE2-CE1 3.7Å; Y187-H255 AromaticContact CE2-ND1 3.64Å; Y187-H255 AromaticContact CZ-ND1 3.74Å; Y187-H255 PolarHBondContact OH-ND1 3.25Å; M191-H255 VanDerWaalsContact CE-CE1 3.45Å; M191-H255 WeakPolarHBondContact CE-CE1 3.4Å
256	C	98.3	Very high	97.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-152.8	166.7	177.5	-165	0	0	0	0	109.2	W159 A254 P258 T327 F494	W159-C256 WeakPolarHBondContact CH2-O 3.37Å; W159-C256 HydrophobicContact CZ3-CB 4.11Å; A254-C256 WeakPolarHBondContact CB-O 3.48Å; C256-P258 WeakPolarHBondContact O-CD 3.35Å; C256-T327 WeakPolarHBondContact CB-OG1 3.32Å; C256-F494 HydrophobicContact CB-CD1 3.58Å; C256-F494 HydrophobicContact CB-CE1 3.97Å
257	Y	98.5	Very high	97.4	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.016	14%	0.142	C	C	.	.			trans	-55.3	114.7	-178.4	-59	-86	0	0	0	109.4	L194 W208 T327 W331 F507 T509 F512	L194-Y257 HydrophobicContact CD1-CD1 3.72Å; L194-Y257 HydrophobicContact CD1-CD2 3.85Å; L194-Y257 HydrophobicContact CD1-CE1 3.92Å; L194-Y257 HydrophobicContact CD1-CE2 4.05Å; L194-Y257 HydrophobicContact CD1-CG 3.67Å; L194-Y257 HydrophobicContact CD2-CD1 4.29Å; L194-Y257 HydrophobicContact CD2-CE1 3.67Å; L194-Y257 HydrophobicContact CD2-CE2 4.29Å; L194-Y257 HydrophobicContact CG-CE1 4.48Å; W208-Y257 HydrophobicContact CB-CD1 3.56Å; W208-Y257 HydrophobicContact CB-CE1 3.6Å; W208-Y257 HydrophobicContact CG-CD1 4.07Å; Y257-T327 WeakPolarHBondContact O-CB 3.47Å; Y257-T327 PolarHBondContact O-OG1 3.04Å; Y257-W331 PolarHBondContact O-NE1 3.09Å; Y257-F507 WeakPolarHBondContact CE2-O 3.32Å; Y257-F507 PolarHBondContact OH-O 2.93Å; Y257-T509 HydrophobicContact CD1-CG2 3.66Å; Y257-T509 HydrophobicContact CD2-CG2 3.95Å; Y257-T509 HydrophobicContact CE1-CG2 4.22Å; Y257-T509 HydrophobicContact CE2-CG2 4.46Å; Y257-T509 HydrophobicContact CG-CG2 3.51Å; Y257-F512 HydrophobicContact CD2-CE2 4.11Å; Y257-F512 HydrophobicContact CE2-CE2 4.34Å
258	P	98.4	Very high	97.4	Very high	11 Å²	11	22.4 Å²	22.4	7%	0.071	12%	0.115	C	C	.	.			trans	-61	141.2	-178.4	-25	36	0	0	0	111.3	W159 Y161 W208 A254 C256	W159-P258 HydrophobicContact CH2-CG 4.43Å; Y161-P258 HydrophobicContact CD1-CB 4.1Å; Y161-P258 HydrophobicContact CD1-CG 4Å; Y161-P258 HydrophobicContact CD2-CG 4Å; Y161-P258 HydrophobicContact CE1-CB 3.9Å; Y161-P258 HydrophobicContact CE1-CG 3.95Å; Y161-P258 HydrophobicContact CE2-CG 3.96Å; Y161-P258 HydrophobicContact CG-CG 4.07Å; W208-P258 HydrophobicContact CH2-CG 4.12Å; W208-P258 HydrophobicContact CZ2-CG 3.64Å; A254-P258 HydrophobicContact CB-CG 4Å; C256-P258 WeakPolarHBondContact O-CD 3.35Å
259	Y	98.6	Very high	97.6	Very high	6 Å²	6	23.4 Å²	23.4	2%	0.024	11%	0.108	C	C	.	.			trans	-136.6	102.3	171.9	-167	-59.6	0	0	0	107.5	R263 L264 R321 W331 E334 M361	Y259-R263 HydrophobicContact CD1-CB 4.47Å; Y259-R263 HydrophobicContact CE1-CB 4.27Å; Y259-R263 HydrophobicContact CE1-CG 4.18Å; Y259-L264 HydrophobicContact CE1-CB 3.96Å; Y259-R321 PolarHBondContact O-NH1 2.86Å; Y259-R321 PolarHBondContact O-NH2 2.76Å; Y259-W331 AromaticContact CD2-CD2 3.84Å; Y259-W331 HydrophobicContact CD2-CD2 3.84Å; Y259-W331 AromaticContact CD2-CE2 3.76Å; Y259-W331 HydrophobicContact CD2-CE3 4.19Å; Y259-W331 HydrophobicContact CD2-CG 4.25Å; Y259-W331 HydrophobicContact CD2-CH2 4.46Å; Y259-W331 HydrophobicContact CD2-CZ2 4.09Å; Y259-W331 HydrophobicContact CD2-CZ3 4.49Å; Y259-W331 HydrophobicContact CE2-CD2 4.38Å; Y259-W331 HydrophobicContact CE2-CE3 4.32Å; Y259-E334 HydrophobicContact CE2-CB 4.29Å; Y259-E334 WeakPolarHBondContact CE2-OE2 3.4Å; Y259-E334 PolarHBondContact OH-OE2 2.89Å; Y259-M361 HydrophobicContact CD1-CE 4.26Å
260	T	98.3	Very high	97.5	Very high	30 Å²	30	27.6 Å²	27.6	18%	0.184	13%	0.127	C	C	.	.			trans	-82.3	160.6	-174.1	61.9	0	0	0	0	111.6	E128 S262 R263 L264	E128-T260 HydrophobicContact CB-CG2 4.36Å; E128-T260 HydrophobicContact CG-CG2 4.27Å; E128-T260 WeakPolarHBondContact OE1-CB 3.41Å; T260-S262 VanDerWaalsContact C-N 3.32Å; T260-R263 PolarHBondContact O-N 3.34Å; T260-R263 WeakPolarHBondContact OG1-CB 3.49Å; T260-R263 PolarHBondContact OG1-N 3.11Å; T260-L264 PolarHBondContact O-N 3.15Å
261	Y	98.4	Very high	97.2	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-67.1	-36	171.9	176.3	-117	0	0	0	111	P37 E128 R263 L264 Q265 N293 I294 Y296 M361 P364 V368	P37-Y261 HydrophobicContact CB-CD1 4.22Å; P37-Y261 HydrophobicContact CG-CD1 4.06Å; E128-Y261 VanDerWaalsContact OE1-CA 3.23Å; E128-Y261 WeakPolarHBondContact OE1-CA 3.45Å; E128-Y261 WeakPolarHBondContact OE1-CB 3.11Å; E128-Y261 PolarHBondContact OE1-N 2.89Å; Y261-R263 VanDerWaalsContact C-N 3.32Å; Y261-R263 PolarHBondContact O-N 3.23Å; Y261-L264 HydrophobicContact CD2-CD2 4.39Å; Y261-L264 WeakPolarHBondContact O-CB 3.39Å; Y261-L264 PolarHBondContact O-N 3.03Å; Y261-Q265 HydrophobicContact CD1-CG 4.45Å; Y261-Q265 HydrophobicContact CE1-CG 4.11Å; Y261-Q265 HydrophobicContact CE2-CG 4.21Å; Y261-Q265 VanDerWaalsContact CZ-NE2 3.29Å; Y261-Q265 WeakPolarHBondContact O-CG 3.45Å; Y261-Q265 PolarHBondContact O-N 3.15Å; Y261-Q265 PolarHBondContact OH-NE2 3.29Å; Y261-N293 HydrophobicContact CE1-CB 4.18Å; Y261-I294 WeakPolarHBondContact CE2-O 3.34Å; Y261-I294 PolarHBondContact OH-N 3.27Å; Y261-I294 VanDerWaalsContact OH-N 3.09Å; Y261-I294 PolarHBondContact OH-O 3.26Å; Y261-Y296 HydrophobicContact CE2-CD2 4.26Å; Y261-Y296 AromaticContact CE2-CE2 3.75Å; Y261-Y296 HydrophobicContact CE2-CE2 3.75Å; Y261-Y296 AromaticContact CZ-CE2 3.83Å; Y261-Y296 VanDerWaalsContact OH-CE2 3.28Å; Y261-Y296 WeakPolarHBondContact OH-CE2 3.3Å; Y261-M361 HydrophobicContact CD2-SD 3.72Å; Y261-M361 HydrophobicContact CG-SD 4.34Å; Y261-P364 HydrophobicContact CD2-CB 3.6Å; Y261-P364 HydrophobicContact CE2-CB 3.64Å; Y261-P364 HydrophobicContact CG-CB 4.08Å; Y261-V368 HydrophobicContact CD1-CG2 4.1Å; Y261-V368 HydrophobicContact CG-CG2 4.36Å
262	S	97.1	Very high	96.8	Very high	44 Å²	44	30.2 Å²	30.2	31%	0.308	14%	0.142	S	C	.	.	H	α-helix	trans	-60.4	-38.1	171.5	-60.6	0	0	0	0	112.7	P37 E128 T260 Q265 Y266	P37-S262 WeakPolarHBondContact CG-OG 3.47Å; E128-S262 PolarHBondContact OE1-N 3.16Å; E128-S262 WeakPolarHBondContact OE2-CB 3.33Å; E128-S262 PolarHBondContact OE2-OG 3.1Å; T260-S262 VanDerWaalsContact C-N 3.32Å; S262-Q265 PolarHBondContact O-N 2.79Å; S262-Y266 WeakPolarHBondContact O-CB 3.29Å; S262-Y266 PolarHBondContact O-N 3.24Å
263	R	97.6	Very high	96.4	Very high	56 Å²	56	33.8 Å²	33.8	21%	0.211	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-47.9	172.7	-178.8	-177.1	178.1	96	2.9	111	D54 Y259 T260 Y261 Q265 Y266 Y267 W331 E334	D54-R263 IonicContact OD1-CZ 2.68Å; D54-R263 IonicContact OD1-NH1 3.95Å; D54-R263 PolarHBondContact OD1-NH1 2.9Å; D54-R263 IonicContact OD1-NH2 2.98Å; D54-R263 PolarHBondContact OD1-NH2 3.22Å; D54-R263 IonicContact OD2-CZ 3.65Å; D54-R263 IonicContact OD2-NH1 2.91Å; D54-R263 IonicContact OD2-NH2 3.1Å; D54-R263 PolarHBondContact OD2-NH2 3.39Å; Y259-R263 HydrophobicContact CD1-CB 4.47Å; Y259-R263 HydrophobicContact CE1-CB 4.27Å; Y259-R263 HydrophobicContact CE1-CG 4.18Å; T260-R263 PolarHBondContact O-N 3.34Å; T260-R263 WeakPolarHBondContact OG1-CB 3.49Å; T260-R263 PolarHBondContact OG1-N 3.11Å; Y261-R263 VanDerWaalsContact C-N 3.32Å; Y261-R263 PolarHBondContact O-N 3.23Å; R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.94Å; R263-Y266 WeakPolarHBondContact O-CB 3.45Å; R263-Y266 PolarHBondContact O-N 2.93Å; R263-Y267 PolarHBondContact O-N 2.88Å; R263-W331 VanDerWaalsContact CZ-CH2 3.47Å; R263-E334 IonicContact CZ-OE1 3.37Å; R263-E334 IonicContact NE-OE2 3.18Å; R263-E334 PolarHBondContact NE-OE2 3.34Å; R263-E334 IonicContact NH2-OE1 3.36Å; R263-E334 PolarHBondContact NH2-OE1 3.26Å; R263-E334 IonicContact NH2-OE2 3.85Å
264	L	98.4	Very high	96.1	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-47.6	176.3	176.6	60.7	0	0	0	111.1	Y259 T260 Y261 Y266 Y267 L268 P360 M361	Y259-L264 HydrophobicContact CE1-CB 3.96Å; T260-L264 PolarHBondContact O-N 3.15Å; Y261-L264 HydrophobicContact CD2-CD2 4.39Å; Y261-L264 WeakPolarHBondContact O-CB 3.39Å; Y261-L264 PolarHBondContact O-N 3.03Å; L264-Y266 VanDerWaalsContact C-N 3.31Å; L264-Y266 PolarHBondContact O-N 2.93Å; L264-Y267 WeakPolarHBondContact O-CB 3.45Å; L264-Y267 PolarHBondContact O-N 3Å; L264-L268 HydrophobicContact CD1-CD1 3.97Å; L264-L268 HydrophobicContact CD1-CD2 4.43Å; L264-L268 HydrophobicContact CD1-CG 3.94Å; L264-L268 HydrophobicContact CG-CD1 3.95Å; L264-L268 HydrophobicContact CG-CG 4.3Å; L264-L268 WeakPolarHBondContact O-CG 3.46Å; L264-L268 PolarHBondContact O-N 3.22Å; L264-P360 HydrophobicContact CD1-CB 3.79Å; L264-P360 HydrophobicContact CD1-CG 3.8Å; L264-P360 HydrophobicContact CD2-CB 4.35Å; L264-P360 HydrophobicContact CD2-CG 4.06Å; L264-M361 HydrophobicContact CB-CE 4.27Å; L264-M361 HydrophobicContact CD2-CB 3.51Å; L264-M361 HydrophobicContact CD2-CE 4.1Å; L264-M361 HydrophobicContact CD2-CG 4.49Å; L264-M361 HydrophobicContact CD2-SD 4.29Å
265	Q	97.6	Very high	95.6	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.065	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-41	179.4	-72.9	-173	-29.8	0	0	111.8	F34 P35 Y261 S262 R263 K269 Y296	F34-Q265 HydrophobicContact CB-CB 4.31Å; F34-Q265 HydrophobicContact CD1-CB 4.06Å; F34-Q265 HydrophobicContact CD1-CG 4.24Å; P35-Q265 PolarHBondContact O-NE2 3.15Å; P35-Q265 PolarHBondContact O-OE1 2.71Å; P35-Q265 VanDerWaalsContact O-OE1 3.07Å; Y261-Q265 HydrophobicContact CD1-CG 4.45Å; Y261-Q265 HydrophobicContact CE1-CG 4.11Å; Y261-Q265 HydrophobicContact CE2-CG 4.21Å; Y261-Q265 VanDerWaalsContact CZ-NE2 3.29Å; Y261-Q265 WeakPolarHBondContact O-CG 3.45Å; Y261-Q265 PolarHBondContact O-N 3.15Å; Y261-Q265 PolarHBondContact OH-NE2 3.29Å; S262-Q265 PolarHBondContact O-N 2.79Å; R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.94Å; Q265-K269 VanDerWaalsContact O-CB 3.26Å; Q265-K269 WeakPolarHBondContact O-CB 3.14Å; Q265-K269 PolarHBondContact O-N 3.4Å; Q265-Y296 HydrophobicContact CG-CE2 3.85Å; Q265-Y296 PolarHBondContact NE2-OH 2.9Å
266	Y	96.2	Very high	95.2	Very high	152 Å²	152	45.3 Å²	45.3	60%	0.596	24%	0.244	S	C	*	.	H	α-helix	trans	-61.4	-48.2	174.2	-179.3	-98.5	0	0	0	111.5	S262 R263 L264 L268 K269 Q270	S262-Y266 WeakPolarHBondContact O-CB 3.29Å; S262-Y266 PolarHBondContact O-N 3.24Å; R263-Y266 WeakPolarHBondContact O-CB 3.45Å; R263-Y266 PolarHBondContact O-N 2.93Å; L264-Y266 VanDerWaalsContact C-N 3.31Å; L264-Y266 PolarHBondContact O-N 2.93Å; Y266-L268 PolarHBondContact O-N 2.84Å; Y266-K269 WeakPolarHBondContact O-CB 3.39Å; Y266-K269 PolarHBondContact O-N 3.36Å; Y266-Q270 HydrophobicContact CD1-CG 4.42Å; Y266-Q270 HydrophobicContact CE1-CG 4.06Å; Y266-Q270 VanDerWaalsContact CE2-NE2 3.29Å; Y266-Q270 VanDerWaalsContact CZ-NE2 3.28Å; Y266-Q270 WeakPolarHBondContact O-CG 3.48Å; Y266-Q270 PolarHBondContact O-N 2.88Å; Y266-Q270 PolarHBondContact OH-NE2 3.03Å
267	Y	96.8	Very high	95	Very high	33 Å²	33	45.9 Å²	45.9	13%	0.129	25%	0.248	C	C	.	.	H	α-helix	trans	-56.6	-50.3	177.2	179.7	-97.9	0	0	0	112.1	R263 L264 K269 Q270 I271 E334 L337 D338	R263-Y267 PolarHBondContact O-N 2.88Å; L264-Y267 WeakPolarHBondContact O-CB 3.45Å; L264-Y267 PolarHBondContact O-N 3Å; Y267-K269 VanDerWaalsContact C-N 3.31Å; Y267-K269 PolarHBondContact O-N 3.19Å; Y267-Q270 PolarHBondContact O-N 2.65Å; Y267-Q270 VanDerWaalsContact O-N 3.16Å; Y267-I271 HydrophobicContact CD1-CD1 3.61Å; Y267-I271 HydrophobicContact CE1-CD1 3.18Å; Y267-I271 HydrophobicContact CE1-CG1 4.4Å; Y267-I271 HydrophobicContact CG-CD1 4.43Å; Y267-I271 PolarHBondContact O-N 3.21Å; Y267-I271 VanDerWaalsContact O-N 3.16Å; Y267-E334 HydrophobicContact CD2-CG 4.18Å; Y267-E334 HydrophobicContact CE2-CG 3.77Å; Y267-L337 HydrophobicContact CE1-CB 4.11Å; Y267-L337 HydrophobicContact CE1-CD1 3.82Å; Y267-L337 VanDerWaalsContact OH-CB 3.28Å; Y267-L337 WeakPolarHBondContact OH-CB 3.46Å; Y267-D338 VanDerWaalsContact CE2-OD1 3.26Å; Y267-D338 WeakPolarHBondContact CE2-OD1 2.98Å; Y267-D338 PolarHBondContact OH-N 3.31Å; Y267-D338 PolarHBondContact OH-OD1 3.05Å
268	L	96.4	Very high	94.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-32.7	177.6	-65.3	178.8	0	0	0	113	F34 L264 Y266 Q270 I271 T272 V283 Y296 M298	F34-L268 HydrophobicContact CE1-CB 3.5Å; F34-L268 HydrophobicContact CE1-CD1 4.31Å; F34-L268 HydrophobicContact CZ-CB 3.86Å; L264-L268 HydrophobicContact CD1-CD1 3.97Å; L264-L268 HydrophobicContact CD1-CD2 4.43Å; L264-L268 HydrophobicContact CD1-CG 3.94Å; L264-L268 HydrophobicContact CG-CD1 3.95Å; L264-L268 HydrophobicContact CG-CG 4.3Å; L264-L268 WeakPolarHBondContact O-CG 3.46Å; L264-L268 PolarHBondContact O-N 3.22Å; Y266-L268 PolarHBondContact O-N 2.84Å; L268-Q270 VanDerWaalsContact C-N 3.35Å; L268-I271 HydrophobicContact CD2-CD1 4.3Å; L268-I271 PolarHBondContact O-N 2.58Å; L268-T272 WeakPolarHBondContact O-CG2 3.38Å; L268-T272 PolarHBondContact O-N 3.3Å; L268-T272 PolarHBondContact O-OG1 2.96Å; L268-V283 HydrophobicContact CD1-CG1 4.49Å; L268-Y296 HydrophobicContact CD1-CD1 4.26Å; L268-Y296 HydrophobicContact CD1-CD2 3.61Å; L268-Y296 HydrophobicContact CD1-CE2 4.29Å; L268-Y296 HydrophobicContact CD1-CG 3.6Å; L268-M298 HydrophobicContact CD2-CE 4Å; L268-M298 HydrophobicContact CD2-CG 4.22Å; L268-M298 HydrophobicContact CD2-SD 3.47Å; L268-M298 WeakPolarHBondContact CD2-SD 3Å
269	K	94.6	Very high	94	Very high	112 Å²	112	49.9 Å²	49.9	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-40	174.2	-174.3	-179.1	177.7	-175.2	0	111.3	F34 Q265 Y266 Y267 T272 S273	F34-K269 HydrophobicContact CD2-CB 3.93Å; F34-K269 HydrophobicContact CD2-CG 4.13Å; F34-K269 HydrophobicContact CE2-CB 3.92Å; F34-K269 HydrophobicContact CE2-CG 4.26Å; F34-K269 HydrophobicContact CG-CB 4.4Å; F34-K269 HydrophobicContact CZ-CB 4.4Å; Q265-K269 VanDerWaalsContact O-CB 3.26Å; Q265-K269 WeakPolarHBondContact O-CB 3.14Å; Q265-K269 PolarHBondContact O-N 3.4Å; Y266-K269 WeakPolarHBondContact O-CB 3.39Å; Y266-K269 PolarHBondContact O-N 3.36Å; Y267-K269 VanDerWaalsContact C-N 3.31Å; Y267-K269 PolarHBondContact O-N 3.19Å; K269-T272 WeakPolarHBondContact CA-OG1 3.47Å; K269-T272 PolarHBondContact O-OG1 3.28Å; K269-T272 VanDerWaalsContact O-OG1 3.12Å; K269-S273 VanDerWaalsContact O-CB 3.32Å; K269-S273 WeakPolarHBondContact O-CB 3.4Å; K269-S273 PolarHBondContact O-N 3.09Å; K269-S273 PolarHBondContact O-OG 3.15Å
270	Q	92.8	Very high	93.7	Very high	92 Å²	92	51.3 Å²	51.3	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-44	175	-61.3	-51.4	-35.1	0	0	111.4	Y266 Y267 L268 S273 N274	Y266-Q270 HydrophobicContact CD1-CG 4.42Å; Y266-Q270 HydrophobicContact CE1-CG 4.06Å; Y266-Q270 VanDerWaalsContact CE2-NE2 3.29Å; Y266-Q270 VanDerWaalsContact CZ-NE2 3.28Å; Y266-Q270 WeakPolarHBondContact O-CG 3.48Å; Y266-Q270 PolarHBondContact O-N 2.88Å; Y266-Q270 PolarHBondContact OH-NE2 3.03Å; Y267-Q270 PolarHBondContact O-N 2.65Å; Y267-Q270 VanDerWaalsContact O-N 3.16Å; L268-Q270 VanDerWaalsContact C-N 3.35Å; Q270-S273 PolarHBondContact O-N 3.39Å; Q270-N274 PolarHBondContact O-N 2.99Å
271	I	91.3	Very high	93.6	Very high	15 Å²	15	50.3 Å²	50.3	8%	0.077	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-51	177.4	-70.8	164.5	0	0	0	111.6	Y267 L268 S273 N274 V277 V283 M298 L341	Y267-I271 HydrophobicContact CD1-CD1 3.61Å; Y267-I271 HydrophobicContact CE1-CD1 3.18Å; Y267-I271 HydrophobicContact CE1-CG1 4.4Å; Y267-I271 HydrophobicContact CG-CD1 4.43Å; Y267-I271 PolarHBondContact O-N 3.21Å; Y267-I271 VanDerWaalsContact O-N 3.16Å; L268-I271 HydrophobicContact CD2-CD1 4.3Å; L268-I271 PolarHBondContact O-N 2.58Å; I271-S273 PolarHBondContact O-N 3.35Å; I271-N274 PolarHBondContact O-N 3.12Å; I271-N274 VanDerWaalsContact O-N 3.14Å; I271-V277 HydrophobicContact CG2-CG1 3.77Å; I271-V283 HydrophobicContact CG2-CG2 4.45Å; I271-M298 HydrophobicContact CD1-CE 3.92Å; I271-M298 HydrophobicContact CG2-CE 4.24Å; I271-L341 HydrophobicContact CD1-CD1 3.45Å; I271-L341 VanDerWaalsContact CD1-CD1 3.45Å; I271-L341 HydrophobicContact CG1-CD1 3.81Å; I271-L341 HydrophobicContact CG2-CD1 4.18Å
272	T	90.2	Very high	93.4	Very high	56 Å²	56	52.4 Å²	52.4	34%	0.344	29%	0.29	S	S	.	.	H	α-helix	trans	-68.2	-21.3	-178.9	50.1	0	0	0	0	113.5	F34 L268 K269 V283	F34-T272 HydrophobicContact CZ-CG2 4.28Å; L268-T272 WeakPolarHBondContact O-CG2 3.38Å; L268-T272 PolarHBondContact O-N 3.3Å; L268-T272 PolarHBondContact O-OG1 2.96Å; K269-T272 WeakPolarHBondContact CA-OG1 3.47Å; K269-T272 PolarHBondContact O-OG1 3.28Å; K269-T272 VanDerWaalsContact O-OG1 3.12Å; T272-V283 HydrophobicContact CG2-CB 3.71Å; T272-V283 HydrophobicContact CG2-CG2 3.52Å
273	S	89.7	Confident	93.3	Very high	78 Å²	78	51 Å²	51	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-85.4	-11.4	176	-55.1	0	0	0	0	113	K269 Q270 I271 P275	K269-S273 VanDerWaalsContact O-CB 3.32Å; K269-S273 WeakPolarHBondContact O-CB 3.4Å; K269-S273 PolarHBondContact O-N 3.09Å; K269-S273 PolarHBondContact O-OG 3.15Å; Q270-S273 PolarHBondContact O-N 3.39Å; I271-S273 PolarHBondContact O-N 3.35Å; S273-P275 WeakPolarHBondContact O-CD 3.4Å
274	N	91.7	Very high	93.2	Very high	71 Å²	71	54.5 Å²	54.5	38%	0.38	29%	0.292	S	S	.	.			trans	-90.3	110.4	178.4	-176.6	-24.6	0	0	0	110.5	Q270 I271 A276 V277 A278	Q270-N274 PolarHBondContact O-N 2.99Å; I271-N274 PolarHBondContact O-N 3.12Å; I271-N274 VanDerWaalsContact O-N 3.14Å; N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 3.17Å; N274-A276 WeakPolarHBondContact OD1-CB 3.47Å; N274-A276 PolarHBondContact OD1-N 2.98Å; N274-V277 HydrophobicContact CB-CB 4.15Å; N274-V277 HydrophobicContact CB-CG2 4.11Å; N274-V277 PolarHBondContact O-N 3.46Å; N274-V277 PolarHBondContact OD1-N 2.96Å; N274-A278 WeakPolarHBondContact O-CB 3.49Å; N274-A278 PolarHBondContact O-N 3.25Å
275	P	89.4	Confident	93.2	Very high	109 Å²	109	57.6 Å²	57.6	71%	0.708	31%	0.311	S	S	*	.	H	α-helix	trans	-63.7	-31.7	-176.8	-22.5	34.9	0	0	0	114	S273 S279	S273-P275 WeakPolarHBondContact O-CD 3.4Å; P275-S279 PolarHBondContact O-N 2.94Å
276	A	90.3	Very high	93.2	Very high	64 Å²	64	58.1 Å²	58.1	53%	0.529	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-45.5	178.3	0	0	0	0	0	110.4	N274 S279 Y280	N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 3.17Å; N274-A276 WeakPolarHBondContact OD1-CB 3.47Å; N274-A276 PolarHBondContact OD1-N 2.98Å; A276-S279 WeakPolarHBondContact O-CB 3.4Å; A276-S279 PolarHBondContact O-N 2.74Å; A276-S279 PolarHBondContact O-OG 3.37Å; A276-Y280 VanDerWaalsContact O-CE1 3.24Å; A276-Y280 WeakPolarHBondContact O-CE1 3.25Å
277	V	92.3	Very high	93.3	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-69.8	-38.6	178	-179.8	0	0	0	0	111.7	I271 N274 S279 Y280 C281 L341	I271-V277 HydrophobicContact CG2-CG1 3.77Å; N274-V277 HydrophobicContact CB-CB 4.15Å; N274-V277 HydrophobicContact CB-CG2 4.11Å; N274-V277 PolarHBondContact O-N 3.46Å; N274-V277 PolarHBondContact OD1-N 2.96Å; V277-S279 PolarHBondContact O-N 2.76Å; V277-Y280 HydrophobicContact CB-CE2 4.42Å; V277-Y280 HydrophobicContact CG1-CE2 3.97Å; V277-Y280 PolarHBondContact O-N 3.47Å; V277-C281 HydrophobicContact CG1-CB 3.75Å; V277-C281 WeakPolarHBondContact O-CB 3.43Å; V277-C281 PolarHBondContact O-N 3.48Å; V277-L341 HydrophobicContact CG1-CB 4.38Å; V277-L341 HydrophobicContact CG1-CD1 4.42Å; V277-L341 HydrophobicContact CG1-CD2 3.81Å; V277-L341 HydrophobicContact CG1-CG 4.42Å
278	A	86.9	Confident	93.3	Very high	37 Å²	37	55.7 Å²	55.7	31%	0.306	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-15.2	177.7	0	0	0	0	0	114	N274 Y280 R303	N274-A278 WeakPolarHBondContact O-CB 3.49Å; N274-A278 PolarHBondContact O-N 3.25Å; A278-Y280 VanDerWaalsContact C-N 3.33Å; A278-R303 PolarHBondContact O-NH2 3.06Å
279	S	89.6	Confident	93.4	Very high	61 Å²	61	56.1 Å²	56.1	43%	0.427	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-27	174.9	74.8	0	0	0	0	113.3	P275 A276 V277 R303	P275-S279 PolarHBondContact O-N 2.94Å; A276-S279 WeakPolarHBondContact O-CB 3.4Å; A276-S279 PolarHBondContact O-N 2.74Å; A276-S279 PolarHBondContact O-OG 3.37Å; V277-S279 PolarHBondContact O-N 2.76Å; S279-R303 VanDerWaalsContact O-CD 3.29Å; S279-R303 WeakPolarHBondContact O-CD 3.49Å; S279-R303 WeakPolarHBondContact O-CG 3.43Å; S279-R303 PolarHBondContact O-NE 2.68Å
280	Y	93.3	Very high	93.5	Very high	37 Å²	37	52.9 Å²	52.9	15%	0.145	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	0.8	-177.1	55.6	-106	0	0	0	114	A276 V277 A278 I300 T301 L341 R351	A276-Y280 VanDerWaalsContact O-CE1 3.24Å; A276-Y280 WeakPolarHBondContact O-CE1 3.25Å; V277-Y280 HydrophobicContact CB-CE2 4.42Å; V277-Y280 HydrophobicContact CG1-CE2 3.97Å; V277-Y280 PolarHBondContact O-N 3.47Å; A278-Y280 VanDerWaalsContact C-N 3.33Å; Y280-I300 HydrophobicContact CD2-CG2 4.32Å; Y280-I300 CarbonylContact O-C 3.49Å; Y280-I300 WeakPolarHBondContact O-CA 3.15Å; Y280-T301 CarbonylContact C-O 3.51Å; Y280-T301 VanDerWaalsContact CA-O 3.32Å; Y280-T301 WeakPolarHBondContact CA-O 3.43Å; Y280-T301 VanDerWaalsContact CB-O 3.29Å; Y280-T301 WeakPolarHBondContact CB-O 3.48Å; Y280-T301 PolarHBondContact O-N 3.41Å; Y280-L341 HydrophobicContact CE2-CD2 4.06Å; Y280-L341 PolarHBondContact OH-O 3.35Å; Y280-L341 VanDerWaalsContact OH-O 3.04Å; Y280-R351 VanDerWaalsContact CD2-CD 3.46Å
281	C	95.8	Very high	93.7	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.054	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.9	176.3	-176.9	0	0	0	0	111.3	V277 M298 T299 I300 L341	V277-C281 HydrophobicContact CG1-CB 3.75Å; V277-C281 WeakPolarHBondContact O-CB 3.43Å; V277-C281 PolarHBondContact O-N 3.48Å; C281-M298 VanDerWaalsContact SG-CE 3.51Å; C281-T299 WeakPolarHBondContact CA-O 3.18Å; C281-I300 HydrophobicContact CB-CG1 4.44Å; C281-L341 HydrophobicContact CB-CD2 3.83Å
282	D	93.8	Very high	94	Very high	46 Å²	46	48.7 Å²	48.7	25%	0.246	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.3	170.1	-72.2	-4.9	0	0	0	109.6	R284 M298 T299 R303	D282-R284 IonicContact OD2-CZ 3.81Å; D282-R284 IonicContact OD2-NH2 2.9Å; D282-R284 PolarHBondContact OD2-NH2 2.76Å; D282-M298 CarbonylContact O-C 3.45Å; D282-M298 WeakPolarHBondContact O-CA 3.35Å; D282-T299 PolarHBondContact N-O 2.98Å; D282-T299 PolarHBondContact O-N 3.38Å; D282-R303 IonicContact OD1-NH2 2.95Å; D282-R303 PolarHBondContact OD1-NH2 2.98Å
283	V	95.7	Very high	94.3	Very high	14 Å²	14	46.2 Å²	46.2	9%	0.085	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.9	166.6	-173	0	0	0	0	108.6	V32 L268 I271 T272 Y296 M298	V32-V283 HydrophobicContact CG1-CG1 4.28Å; V32-V283 HydrophobicContact CG2-CB 4.4Å; V32-V283 HydrophobicContact CG2-CG1 4.35Å; V32-V283 WeakPolarHBondContact CG2-O 3.48Å; L268-V283 HydrophobicContact CD1-CG1 4.49Å; I271-V283 HydrophobicContact CG2-CG2 4.45Å; T272-V283 HydrophobicContact CG2-CB 3.71Å; T272-V283 HydrophobicContact CG2-CG2 3.52Å; V283-Y296 HydrophobicContact CG1-CD1 4.33Å; V283-M298 HydrophobicContact CG2-CE 4.22Å; V283-M298 HydrophobicContact CG2-CG 4.21Å
284	R	95.6	Very high	94.8	Very high	130 Å²	130	43.3 Å²	43.3	49%	0.491	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	163.7	176.7	-62.8	-172.6	-171.3	170.8	7.4	111.5	D282 Y296 V297	D282-R284 IonicContact OD2-CZ 3.81Å; D282-R284 IonicContact OD2-NH2 2.9Å; D282-R284 PolarHBondContact OD2-NH2 2.76Å; R284-Y296 WeakPolarHBondContact O-CA 3.35Å; R284-V297 HydrophobicContact CB-CG1 4.17Å; R284-V297 PolarHBondContact N-O 3.22Å; R284-V297 PolarHBondContact O-N 3.13Å
285	T	97.3	Very high	95.1	Very high	69 Å²	69	39.9 Å²	39.9	42%	0.423	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.5	166.9	-63.1	0	0	0	0	109.7	I294	T285-I294 HydrophobicContact CG2-CG2 3.87Å
286	L	97.8	Very high	95.5	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.131	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-50.7	171.1	179	61.4	0	0	0	110.6	V295 V297 V359 H398 T399 M402	L286-V295 HydrophobicContact CB-CG1 4.32Å; L286-V295 WeakPolarHBondContact CB-O 3.42Å; L286-V295 HydrophobicContact CD2-CG1 4.07Å; L286-V295 PolarHBondContact N-O 2.95Å; L286-V297 HydrophobicContact CB-CB 4.05Å; L286-V297 HydrophobicContact CB-CG1 3.9Å; L286-V297 HydrophobicContact CD1-CG1 4.45Å; L286-V359 HydrophobicContact CD2-CG1 4.39Å; L286-V359 HydrophobicContact CD2-CG2 3.98Å; L286-H398 HydrophobicContact CD1-CB 4.19Å; L286-H398 HydrophobicContact CG-CB 4.01Å; L286-T399 WeakPolarHBondContact CD2-OG1 2.92Å; L286-M402 HydrophobicContact CD1-CB 4.15Å; L286-M402 HydrophobicContact CD1-SD 4.15Å
287	C	97.8	Very high	95.9	Very high	11 Å²	11	32.4 Å²	32.4	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	178.2	175.6	67.8	0	0	0	0	110.1	V295 H398	C287-V295 PolarHBondContact O-N 3.37Å; C287-H398 HydrophobicContact CB-CB 4.01Å; C287-H398 VanDerWaalsContact CB-CD2 3.47Å; C287-H398 WeakPolarHBondContact CB-CD2 3.41Å
288	Q	97.9	Very high	96.2	Very high	123 Å²	123	31.8 Å²	31.8	58%	0.575	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94	145.2	159.6	-69.7	178.8	-10.1	0	0	108.9	N293 P394	Q288-N293 CarbonylContact C-O 3.52Å; Q288-N293 WeakPolarHBondContact CA-O 2.93Å; Q288-P394 VanDerWaalsContact O-CB 3.32Å; Q288-P394 WeakPolarHBondContact O-CB 3.36Å; Q288-P394 VanDerWaalsContact O-CG 3.29Å; Q288-P394 WeakPolarHBondContact O-CG 3.31Å
289	S	98.3	Very high	96.7	Very high	8 Å²	8	31 Å²	31	6%	0.056	16%	0.164	C	C	.	.			trans	-71.5	176.2	169.9	64	0	0	0	0	111	G291 G292 N293 D365	S289-G291 PolarHBondContact O-N 3.46Å; S289-G292 WeakPolarHBondContact O-CA 3.34Å; S289-G292 PolarHBondContact O-N 3.36Å; S289-G292 PolarHBondContact OG-N 3.18Å; S289-N293 PolarHBondContact N-O 3.4Å; S289-N293 WeakPolarHBondContact OG-CA 3.37Å; S289-N293 WeakPolarHBondContact OG-CB 3.48Å; S289-N293 PolarHBondContact OG-N 3.14Å; S289-N293 PolarHBondContact OG-O 3.02Å; S289-N293 VanDerWaalsContact OG-O 3.07Å; S289-D365 WeakPolarHBondContact CB-OD1 3.49Å; S289-D365 WeakPolarHBondContact CB-OD2 3.29Å; S289-D365 PolarHBondContact OG-OD1 2.76Å; S289-D365 PolarHBondContact OG-OD2 2.71Å
290	L	96.6	Very high	97.1	Very high	45 Å²	45	28.1 Å²	28.1	24%	0.236	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-38.6	177.7	-177.4	62.7	0	0	0	111.6	F95 G292 D365 L376 A377	F95-L290 HydrophobicContact CB-CD2 4.47Å; F95-L290 HydrophobicContact CD1-CD1 4.23Å; F95-L290 HydrophobicContact CD1-CD2 3.9Å; F95-L290 HydrophobicContact CD1-CG 3.67Å; F95-L290 HydrophobicContact CE1-CD1 4.34Å; F95-L290 HydrophobicContact CE1-CG 3.87Å; F95-L290 WeakPolarHBondContact CE1-O 3.49Å; F95-L290 HydrophobicContact CG-CD2 4.4Å; L290-G292 PolarHBondContact O-N 2.63Å; L290-D365 PolarHBondContact N-OD2 2.95Å; L290-L376 HydrophobicContact CD2-CB 4.14Å; L290-A377 HydrophobicContact CD2-CB 4.06Å
291	G	96.4	Very high	97.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	3.9	173.1	0	0	0	0	0	114.5	R38 S98 S289 N293 D365	R38-G291 WeakPolarHBondContact CB-O 3.33Å; S98-G291 VanDerWaalsContact CB-O 3.25Å; S98-G291 WeakPolarHBondContact CB-O 3.05Å; S98-G291 PolarHBondContact OG-O 2.69Å; S289-G291 PolarHBondContact O-N 3.46Å; G291-N293 VanDerWaalsContact C-N 3.29Å; G291-N293 PolarHBondContact O-N 3.43Å; G291-D365 WeakPolarHBondContact CA-OD2 3.48Å; G291-D365 PolarHBondContact N-OD2 2.79Å
292	G	97	Very high	97.1	Very high	18 Å²	18	29.1 Å²	29.1	19%	0.186	15%	0.154	C	C	.	.	S	Bend	trans	75.2	11.3	178.5	0	0	0	0	0	115	R38 S289 L290	R38-G292 WeakPolarHBondContact CD-O 3.47Å; S289-G292 WeakPolarHBondContact O-CA 3.34Å; S289-G292 PolarHBondContact O-N 3.36Å; S289-G292 PolarHBondContact OG-N 3.18Å; L290-G292 PolarHBondContact O-N 2.63Å
293	N	98.3	Very high	96.6	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	17%	0.169	C	C	.	.			trans	-75.3	145.5	169.9	-70.5	-63.2	0	0	0	110	R38 Y261 Q288 S289 G291 V295 P364 D365	R38-N293 PolarHBondContact N-OD1 3.45Å; R38-N293 PolarHBondContact O-ND2 3.22Å; Y261-N293 HydrophobicContact CE1-CB 4.18Å; Q288-N293 CarbonylContact C-O 3.52Å; Q288-N293 WeakPolarHBondContact CA-O 2.93Å; S289-N293 PolarHBondContact N-O 3.4Å; S289-N293 WeakPolarHBondContact OG-CA 3.37Å; S289-N293 WeakPolarHBondContact OG-CB 3.48Å; S289-N293 PolarHBondContact OG-N 3.14Å; S289-N293 PolarHBondContact OG-O 3.02Å; S289-N293 VanDerWaalsContact OG-O 3.07Å; G291-N293 VanDerWaalsContact C-N 3.29Å; G291-N293 PolarHBondContact O-N 3.43Å; N293-V295 PolarHBondContact O-N 3.21Å; N293-P364 HydrophobicContact CB-CB 4.02Å; N293-P364 HydrophobicContact CB-CG 4Å; N293-D365 WeakPolarHBondContact CB-OD1 3.39Å; N293-D365 PolarHBondContact ND2-OD1 3.29Å
294	I	98.4	Very high	95.2	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.087	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.9	-177.7	-63.7	177.3	0	0	0	109.8	P35 Y261 T285 Y296	P35-I294 HydrophobicContact CG-CD1 3.83Å; P35-I294 HydrophobicContact CG-CG1 4.34Å; Y261-I294 WeakPolarHBondContact CE2-O 3.34Å; Y261-I294 PolarHBondContact OH-N 3.27Å; Y261-I294 VanDerWaalsContact OH-N 3.09Å; Y261-I294 PolarHBondContact OH-O 3.26Å; T285-I294 HydrophobicContact CG2-CG2 3.87Å; I294-Y296 HydrophobicContact CB-CE1 4.02Å; I294-Y296 HydrophobicContact CB-CE2 4.27Å; I294-Y296 HydrophobicContact CG2-CD1 3.61Å; I294-Y296 HydrophobicContact CG2-CD2 4.37Å; I294-Y296 HydrophobicContact CG2-CE1 3.37Å; I294-Y296 HydrophobicContact CG2-CE2 4.19Å; I294-Y296 HydrophobicContact CG2-CG 4.1Å
295	V	98.7	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.4	164.5	-176.7	0	0	0	0	107.5	L286 C287 N293 V359 P364 C395	L286-V295 HydrophobicContact CB-CG1 4.32Å; L286-V295 WeakPolarHBondContact CB-O 3.42Å; L286-V295 HydrophobicContact CD2-CG1 4.07Å; L286-V295 PolarHBondContact N-O 2.95Å; C287-V295 PolarHBondContact O-N 3.37Å; N293-V295 PolarHBondContact O-N 3.21Å; V295-V359 HydrophobicContact CG1-CG1 3.79Å; V295-P364 HydrophobicContact CG2-CG 4.01Å; V295-C395 HydrophobicContact CG2-CB 4.22Å; V295-C395 VanDerWaalsContact CG2-SG 3.57Å
296	Y	98.6	Very high	92.2	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	147	-179	-58	-78.3	0	0	0	111.3	V32 N33 F34 Y261 Q265 L268 V283 R284 I294	V32-Y296 HydrophobicContact CG1-CD1 3.78Å; V32-Y296 HydrophobicContact CG1-CE1 3.52Å; N33-Y296 PolarHBondContact O-OH 3.24Å; F34-Y296 AromaticContact CD1-CE1 3.95Å; F34-Y296 HydrophobicContact CD1-CE1 3.95Å; F34-Y296 HydrophobicContact CD1-CE2 4.47Å; F34-Y296 AromaticContact CD1-CZ 3.73Å; F34-Y296 WeakPolarHBondContact CD1-OH 2.96Å; F34-Y296 HydrophobicContact CE1-CD1 4.4Å; F34-Y296 AromaticContact CE1-CE1 3.87Å; F34-Y296 HydrophobicContact CE1-CE1 3.87Å; Y261-Y296 HydrophobicContact CE2-CD2 4.26Å; Y261-Y296 AromaticContact CE2-CE2 3.75Å; Y261-Y296 HydrophobicContact CE2-CE2 3.75Å; Y261-Y296 AromaticContact CZ-CE2 3.83Å; Y261-Y296 VanDerWaalsContact OH-CE2 3.28Å; Y261-Y296 WeakPolarHBondContact OH-CE2 3.3Å; Q265-Y296 HydrophobicContact CG-CE2 3.85Å; Q265-Y296 PolarHBondContact NE2-OH 2.9Å; L268-Y296 HydrophobicContact CD1-CD1 4.26Å; L268-Y296 HydrophobicContact CD1-CD2 3.61Å; L268-Y296 HydrophobicContact CD1-CE2 4.29Å; L268-Y296 HydrophobicContact CD1-CG 3.6Å; V283-Y296 HydrophobicContact CG1-CD1 4.33Å; R284-Y296 WeakPolarHBondContact O-CA 3.35Å; I294-Y296 HydrophobicContact CB-CE1 4.02Å; I294-Y296 HydrophobicContact CB-CE2 4.27Å; I294-Y296 HydrophobicContact CG2-CD1 3.61Å; I294-Y296 HydrophobicContact CG2-CD2 4.37Å; I294-Y296 HydrophobicContact CG2-CE1 3.37Å; I294-Y296 HydrophobicContact CG2-CE2 4.19Å; I294-Y296 HydrophobicContact CG2-CG 4.1Å
297	V	98.6	Very high	90.5	Very high	12 Å²	12	36.2 Å²	36.2	7%	0.073	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.1	167.3	58.4	0	0	0	0	109.5	R284 L286 V358 V359 M402	R284-V297 HydrophobicContact CB-CG1 4.17Å; R284-V297 PolarHBondContact N-O 3.22Å; R284-V297 PolarHBondContact O-N 3.13Å; L286-V297 HydrophobicContact CB-CB 4.05Å; L286-V297 HydrophobicContact CB-CG1 3.9Å; L286-V297 HydrophobicContact CD1-CG1 4.45Å; V297-V358 CarbonylContact C-O 3.51Å; V297-V358 VanDerWaalsContact CA-O 3.32Å; V297-V358 WeakPolarHBondContact CA-O 3.45Å; V297-V359 HydrophobicContact CB-CG2 4.36Å; V297-V359 HydrophobicContact CG2-CG2 4.25Å; V297-M402 HydrophobicContact CG2-SD 3.66Å
298	M	98	Very high	88.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.8	174.7	-50.9	176	67.7	0	0	109.6	L268 I271 C281 D282 V283 I300 L337 L341 K357 V358	L268-M298 HydrophobicContact CD2-CE 4Å; L268-M298 HydrophobicContact CD2-CG 4.22Å; L268-M298 HydrophobicContact CD2-SD 3.47Å; L268-M298 WeakPolarHBondContact CD2-SD 3Å; I271-M298 HydrophobicContact CD1-CE 3.92Å; I271-M298 HydrophobicContact CG2-CE 4.24Å; C281-M298 VanDerWaalsContact SG-CE 3.51Å; D282-M298 CarbonylContact O-C 3.45Å; D282-M298 WeakPolarHBondContact O-CA 3.35Å; V283-M298 HydrophobicContact CG2-CE 4.22Å; V283-M298 HydrophobicContact CG2-CG 4.21Å; M298-I300 HydrophobicContact CB-CG1 4.35Å; M298-I300 HydrophobicContact CE-CD1 4.38Å; M298-L337 HydrophobicContact CE-CD2 4.03Å; M298-L337 HydrophobicContact SD-CD1 3.78Å; M298-L337 HydrophobicContact SD-CD2 3.7Å; M298-L337 HydrophobicContact SD-CG 4.41Å; M298-L341 HydrophobicContact CE-CD1 4.11Å; M298-K357 WeakPolarHBondContact O-CA 3.35Å; M298-V358 HydrophobicContact CB-CB 4.25Å; M298-V358 PolarHBondContact N-O 3.27Å; M298-V358 PolarHBondContact O-N 2.61Å
299	T	97.8	Very high	87.3	Confident	21 Å²	21	36.5 Å²	36.5	13%	0.129	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.5	167.1	-52.3	0	0	0	0	107.9	C281 D282 I355 F356 K357	C281-T299 WeakPolarHBondContact CA-O 3.18Å; D282-T299 PolarHBondContact N-O 2.98Å; D282-T299 PolarHBondContact O-N 3.38Å; T299-I355 HydrophobicContact CG2-CG2 4.04Å; T299-F356 VanDerWaalsContact CA-O 3.27Å; T299-F356 WeakPolarHBondContact CA-O 3.5Å; T299-K357 HydrophobicContact CG2-CD 4.19Å; T299-K357 PolarHBondContact OG1-NZ 3.22Å
300	I	98	Very high	85.9	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.3	-177.5	-47.9	166.4	0	0	0	108	Y280 C281 M298 L337 L340 L341 R351 F356 V358	Y280-I300 HydrophobicContact CD2-CG2 4.32Å; Y280-I300 CarbonylContact O-C 3.49Å; Y280-I300 WeakPolarHBondContact O-CA 3.15Å; C281-I300 HydrophobicContact CB-CG1 4.44Å; M298-I300 HydrophobicContact CB-CG1 4.35Å; M298-I300 HydrophobicContact CE-CD1 4.38Å; I300-L337 HydrophobicContact CD1-CD2 3.65Å; I300-L340 HydrophobicContact CD1-CB 4.38Å; I300-L340 HydrophobicContact CD1-CD1 4.19Å; I300-L341 HydrophobicContact CD1-CD2 3.88Å; I300-L341 HydrophobicContact CD1-CG 4.43Å; I300-L341 HydrophobicContact CG1-CD2 4.1Å; I300-L341 HydrophobicContact CG2-CD2 3.87Å; I300-R351 HydrophobicContact CG2-CG 4.13Å; I300-F356 HydrophobicContact CB-CB 4.11Å; I300-F356 PolarHBondContact N-O 2.83Å; I300-F356 WeakPolarHBondContact O-CD2 3.43Å; I300-F356 PolarHBondContact O-N 3.22Å; I300-V358 HydrophobicContact CD1-CG2 4.23Å
301	T	96	Very high	84.6	Confident	24 Å²	24	45 Å²	45	15%	0.147	25%	0.254	C	S	.	.			trans	-170.9	146.7	177.6	-168.5	0	0	0	0	109.8	Y280 R303 K313 R351 F354 I355	Y280-T301 CarbonylContact C-O 3.51Å; Y280-T301 VanDerWaalsContact CA-O 3.32Å; Y280-T301 WeakPolarHBondContact CA-O 3.43Å; Y280-T301 VanDerWaalsContact CB-O 3.29Å; Y280-T301 WeakPolarHBondContact CB-O 3.48Å; Y280-T301 PolarHBondContact O-N 3.41Å; T301-R303 PolarHBondContact O-N 3.5Å; T301-K313 WeakPolarHBondContact OG1-CD 3.33Å; T301-K313 PolarHBondContact OG1-NZ 2.85Å; T301-R351 PolarHBondContact OG1-O 3.27Å; T301-R351 VanDerWaalsContact OG1-O 3.09Å; T301-F354 VanDerWaalsContact CB-O 3.3Å; T301-F354 WeakPolarHBondContact CB-O 3.16Å; T301-F354 PolarHBondContact OG1-O 2.81Å; T301-I355 HydrophobicContact CG2-CG1 4.42Å
302	T	92.8	Very high	83.9	Confident	42 Å²	42	51.5 Å²	51.5	26%	0.258	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-63.7	130.7	168	-56.6	0	0	0	0	108.5	G304 K313 R351 D352	T302-G304 PolarHBondContact O-N 3.39Å; T302-K313 PolarHBondContact O-NZ 3.31Å; T302-R351 PolarHBondContact N-O 3.17Å; T302-R351 WeakPolarHBondContact OG1-CB 3.28Å; T302-D352 WeakPolarHBondContact CB-OD1 3.41Å; T302-D352 WeakPolarHBondContact CG2-OD1 3.47Å; T302-D352 PolarHBondContact OG1-OD1 2.83Å
303	R	83.4	Confident	83.6	Confident	151 Å²	151	51.5 Å²	51.5	57%	0.57	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-68	120.9	177.4	-67.1	-177.4	176.6	160.5	5.7	108.7	A278 S279 D282 T301	A278-R303 PolarHBondContact O-NH2 3.06Å; S279-R303 VanDerWaalsContact O-CD 3.29Å; S279-R303 WeakPolarHBondContact O-CD 3.49Å; S279-R303 WeakPolarHBondContact O-CG 3.43Å; S279-R303 PolarHBondContact O-NE 2.68Å; D282-R303 IonicContact OD1-NH2 2.95Å; D282-R303 PolarHBondContact OD1-NH2 2.98Å; T301-R303 PolarHBondContact O-N 3.5Å
304	G	66.6	Low	83.5	Confident	29 Å²	29	55.5 Å²	55.5	30%	0.299	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-67.2	147.5	177.3	0	0	0	0	0	111.2	T302 S306	T302-G304 PolarHBondContact O-N 3.39Å; G304-S306 VanDerWaalsContact C-N 3.28Å
305	S	63.6	Low	83.5	Confident	120 Å²	120	54.7 Å²	54.7	84%	0.839	30%	0.297	S	S	*	.	S	Bend	trans	-78.8	-18.2	177.1	-57.1	0	0	0	0	111.6	E309	S305-E309 PolarHBondContact N-OE2 3.38Å
306	S	66.4	Low	83.5	Confident	38 Å²	38	54.7 Å²	54.7	27%	0.266	30%	0.297	S	S	.	.	S	Bend	trans	-136.6	153.6	175	72.7	0	0	0	0	113.1	G304 A308 E309 V310	G304-S306 VanDerWaalsContact C-N 3.28Å; S306-A308 PolarHBondContact O-N 3.44Å; S306-A308 VanDerWaalsContact O-N 3.15Å; S306-E309 PolarHBondContact N-OE2 3.48Å; S306-E309 PolarHBondContact O-N 3.09Å; S306-E309 WeakPolarHBondContact OG-CG 3.27Å; S306-E309 PolarHBondContact OG-N 3.3Å; S306-E309 PolarHBondContact OG-OE1 2.87Å; S306-V310 PolarHBondContact O-N 3.11Å
307	P	62.3	Low	83.5	Confident	94 Å²	94	54.5 Å²	54.5	61%	0.61	30%	0.296	S	S	*	.	H	α-helix	trans	-58.7	-23.2	172.5	-25.7	34.8	0	0	0	114.2	R311	P307-R311 WeakPolarHBondContact O-CG 3.26Å; P307-R311 PolarHBondContact O-N 3.04Å; P307-R311 PolarHBondContact O-NH1 2.86Å
308	A	62.9	Low	83.5	Confident	45 Å²	45	54 Å²	54	37%	0.372	29%	0.293	S	S	.	.	H	α-helix	trans	-74.2	-41.1	177.9	0	0	0	0	0	112.1	S306 V310 R311 N312	S306-A308 PolarHBondContact O-N 3.44Å; S306-A308 VanDerWaalsContact O-N 3.15Å; A308-V310 VanDerWaalsContact C-N 3.32Å; A308-V310 PolarHBondContact O-N 3.2Å; A308-R311 PolarHBondContact O-N 2.62Å; A308-N312 PolarHBondContact O-N 2.97Å
309	E	65.4	Low	83.5	Confident	95 Å²	95	54 Å²	54	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-40	174.9	-74.4	160.7	-157.9	0	0	111.8	S305 S306 R311 N312	S305-E309 PolarHBondContact N-OE2 3.38Å; S306-E309 PolarHBondContact N-OE2 3.48Å; S306-E309 PolarHBondContact O-N 3.09Å; S306-E309 WeakPolarHBondContact OG-CG 3.27Å; S306-E309 PolarHBondContact OG-N 3.3Å; S306-E309 PolarHBondContact OG-OE1 2.87Å; E309-R311 VanDerWaalsContact C-N 3.34Å; E309-R311 PolarHBondContact O-N 2.93Å; E309-N312 PolarHBondContact O-N 3.47Å
310	V	68.7	Low	83.6	Confident	62 Å²	62	53 Å²	53	38%	0.376	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-37.6	176.9	-179.8	0	0	0	0	111.4	S306 A308 N312 K313	S306-V310 PolarHBondContact O-N 3.11Å; A308-V310 VanDerWaalsContact C-N 3.32Å; A308-V310 PolarHBondContact O-N 3.2Å; V310-N312 VanDerWaalsContact C-N 3.29Å; V310-N312 PolarHBondContact O-N 3.42Å; V310-K313 PolarHBondContact O-N 3.14Å
311	R	68.9	Low	83.6	Confident	169 Å²	169	53.1 Å²	53.1	64%	0.638	29%	0.287	S	S	*	.	H	α-helix	trans	-69.1	-21.6	179	-78.6	-171.7	-59.2	-99	5	114.4	P307 A308 E309	P307-R311 WeakPolarHBondContact O-CG 3.26Å; P307-R311 PolarHBondContact O-N 3.04Å; P307-R311 PolarHBondContact O-NH1 2.86Å; A308-R311 PolarHBondContact O-N 2.62Å; E309-R311 VanDerWaalsContact C-N 3.34Å; E309-R311 PolarHBondContact O-N 2.93Å
312	N	81.3	Confident	83.7	Confident	139 Å²	139	52 Å²	52	74%	0.743	28%	0.28	S	S	*	.	H	α-helix	trans	-84.7	-15.4	179.7	-71.6	-14.7	0	0	0	113	A308 E309 V310	A308-N312 PolarHBondContact O-N 2.97Å; E309-N312 PolarHBondContact O-N 3.47Å; V310-N312 VanDerWaalsContact C-N 3.29Å; V310-N312 PolarHBondContact O-N 3.42Å
313	K	91.8	Very high	84	Confident	18 Å²	18	50 Å²	50	8%	0.078	27%	0.268	C	S	.	.			trans	-69.2	149	178.2	-61.2	-165.5	-176.9	-157.7	0	110.7	T301 T302 V310 R351 D352 N353 I355 T410	T301-K313 WeakPolarHBondContact OG1-CD 3.33Å; T301-K313 PolarHBondContact OG1-NZ 2.85Å; T302-K313 PolarHBondContact O-NZ 3.31Å; V310-K313 PolarHBondContact O-N 3.14Å; K313-R351 PolarHBondContact NZ-O 2.87Å; K313-D352 WeakPolarHBondContact CD-O 3.38Å; K313-D352 WeakPolarHBondContact CE-O 3.46Å; K313-D352 PolarHBondContact NZ-O 3.39Å; K313-D352 VanDerWaalsContact NZ-O 3.17Å; K313-N353 WeakPolarHBondContact CA-O 3.46Å; K313-I355 HydrophobicContact CB-CD1 4.32Å; K313-I355 HydrophobicContact CB-CG1 4.06Å; K313-I355 HydrophobicContact CD-CG1 4.2Å; K313-T410 WeakPolarHBondContact O-CG2 3.1Å
314	K	94.9	Very high	84.7	Confident	86 Å²	86	42.9 Å²	42.9	37%	0.374	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	166	171.2	-56.4	-168.3	-176.2	-153.3	0	110.1	N353 F354 I355 E411 V413	K314-N353 PolarHBondContact N-O 3.17Å; K314-N353 VanDerWaalsContact N-O 3.13Å; K314-F354 HydrophobicContact CB-CD1 3.9Å; K314-F354 HydrophobicContact CB-CE1 3.91Å; K314-F354 CarbonylContact O-C 3.53Å; K314-F354 WeakPolarHBondContact O-CA 3.35Å; K314-I355 PolarHBondContact O-N 2.9Å; K314-E411 WeakPolarHBondContact CD-OE2 3.48Å; K314-E411 VanDerWaalsContact CE-OE2 3.25Å; K314-E411 WeakPolarHBondContact CE-OE2 3.32Å; K314-E411 IonicContact NZ-OE2 2.8Å; K314-E411 PolarHBondContact NZ-OE2 2.76Å; K314-V413 HydrophobicContact CB-CG1 3.87Å; K314-V413 HydrophobicContact CB-CG2 4.49Å; K314-V413 HydrophobicContact CD-CG1 3.33Å; K314-V413 HydrophobicContact CG-CG1 4.19Å
315	A	97.9	Very high	86.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.6	-179.2	0	0	0	0	0	112.7	I355 L406 T410 E411 V412 V413	A315-I355 VanDerWaalsContact CA-O 3.29Å; A315-I355 WeakPolarHBondContact CA-O 3.46Å; A315-L406 HydrophobicContact CB-CD1 4.13Å; A315-L406 HydrophobicContact CB-CD2 3.73Å; A315-L406 HydrophobicContact CB-CG 3.97Å; A315-T410 HydrophobicContact CB-CG2 3.85Å; A315-E411 PolarHBondContact N-O 2.9Å; A315-V412 HydrophobicContact CB-CB 4.44Å; A315-V412 HydrophobicContact CB-CG2 3.9Å; A315-V412 CarbonylContact O-C 3.57Å; A315-V412 WeakPolarHBondContact O-CA 3.43Å; A315-V413 WeakPolarHBondContact O-CG2 3.36Å; A315-V413 PolarHBondContact O-N 3.34Å
316	V	98.8	Very high	87.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.9	171.3	176.7	0	0	0	0	108.4	V318 F354 I355 F356 K357 V413 L414 L523	V316-V318 HydrophobicContact CG1-CG2 3.98Å; V316-F354 HydrophobicContact CG2-CD1 3.84Å; V316-F354 HydrophobicContact CG2-CE1 4.3Å; V316-F354 HydrophobicContact CG2-CG 4.29Å; V316-I355 PolarHBondContact N-O 2.75Å; V316-F356 HydrophobicContact CB-CD1 3.7Å; V316-F356 HydrophobicContact CB-CE1 3.78Å; V316-F356 HydrophobicContact CG1-CD1 3.96Å; V316-F356 HydrophobicContact CG1-CE1 3.98Å; V316-F356 HydrophobicContact CG2-CE1 4.14Å; V316-F356 CarbonylContact O-C 3.52Å; V316-F356 WeakPolarHBondContact O-CA 3.25Å; V316-K357 PolarHBondContact O-N 3.47Å; V316-V413 HydrophobicContact CG2-CG2 3.7Å; V316-L414 WeakPolarHBondContact CA-O 3.46Å; V316-L414 HydrophobicContact CG1-CB 4.48Å; V316-L414 HydrophobicContact CG1-CD2 4.21Å; V316-L523 HydrophobicContact CG2-CD1 4.22Å; V316-L523 HydrophobicContact CG2-CD2 3.87Å
317	V	98.9	Very high	89.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.8	-179.7	-176.2	0	0	0	0	109.4	K357 M402 V403 L406 V412 L414 Y415 C416	V317-K357 WeakPolarHBondContact CA-O 3.41Å; V317-K357 HydrophobicContact CG2-CB 4.3Å; V317-M402 HydrophobicContact CG1-CE 4.32Å; V317-V403 HydrophobicContact CG1-CG2 3.89Å; V317-V403 HydrophobicContact CG2-CG2 4.23Å; V317-L406 HydrophobicContact CG2-CD2 3.75Å; V317-V412 HydrophobicContact CG2-CG1 3.89Å; V317-L414 PolarHBondContact N-O 3.29Å; V317-Y415 HydrophobicContact CB-CD2 3.91Å; V317-Y415 HydrophobicContact CG1-CD2 3.72Å; V317-Y415 HydrophobicContact CG1-CE2 4.1Å; V317-Y415 CarbonylContact O-C 3.54Å; V317-Y415 VanDerWaalsContact O-CA 3.27Å; V317-Y415 WeakPolarHBondContact O-CA 3.4Å; V317-C416 PolarHBondContact O-N 3.33Å
318	V	98.9	Very high	91.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131	178	-167	0	0	0	0	110.2	V316 M333 F336 K357 V358 V359 C416 F418 F519	V316-V318 HydrophobicContact CG1-CG2 3.98Å; V318-M333 HydrophobicContact CB-CE 4.27Å; V318-M333 HydrophobicContact CG1-CE 3.64Å; V318-F336 HydrophobicContact CB-CE1 4.09Å; V318-F336 HydrophobicContact CB-CZ 4.24Å; V318-F336 HydrophobicContact CG1-CE1 4.49Å; V318-F336 HydrophobicContact CG2-CE1 3.91Å; V318-F336 HydrophobicContact CG2-CE2 4.13Å; V318-F336 HydrophobicContact CG2-CZ 3.54Å; V318-K357 PolarHBondContact N-O 2.79Å; V318-V358 CarbonylContact O-C 3.46Å; V318-V358 VanDerWaalsContact O-CA 3.29Å; V318-V358 WeakPolarHBondContact O-CA 3.25Å; V318-V359 PolarHBondContact O-N 3.26Å; V318-C416 CarbonylContact C-O 3.59Å; V318-C416 VanDerWaalsContact CA-O 3.29Å; V318-C416 WeakPolarHBondContact CA-O 3.35Å; V318-F418 HydrophobicContact CG1-CD1 4.19Å; V318-F418 HydrophobicContact CG1-CD2 4.34Å; V318-F418 HydrophobicContact CG1-CE1 3.87Å; V318-F418 HydrophobicContact CG1-CE2 4.01Å; V318-F418 HydrophobicContact CG1-CG 4.43Å; V318-F418 HydrophobicContact CG1-CZ 3.77Å; V318-F519 HydrophobicContact CG2-CE1 4.08Å; V318-F519 HydrophobicContact CG2-CZ 4.31Å
319	T	98.9	Very high	92.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.6	177.1	64.8	0	0	0	0	111	V359 L362 T399 Y415 C416 D417 F418	T319-V359 CarbonylContact C-O 3.46Å; T319-V359 WeakPolarHBondContact CA-O 3.46Å; T319-V359 HydrophobicContact CG2-CB 4.01Å; T319-V359 HydrophobicContact CG2-CG2 4.31Å; T319-L362 HydrophobicContact CG2-CD1 4.32Å; T319-T399 HydrophobicContact CG2-CG2 4.12Å; T319-Y415 HydrophobicContact CG2-CE2 4.02Å; T319-Y415 PolarHBondContact OG1-OH 2.96Å; T319-C416 PolarHBondContact N-O 3.14Å; T319-D417 CarbonylContact O-C 3.59Å; T319-D417 WeakPolarHBondContact O-CA 3.38Å; T319-D417 WeakPolarHBondContact OG1-CB 3.42Å; T319-D417 PolarHBondContact OG1-OD1 2.85Å; T319-F418 PolarHBondContact O-N 2.66Å
320	A	98.9	Very high	94.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	166.9	174.7	0	0	0	0	0	112.5	V322 M333 V359 M361 L362 F418	A320-V322 VanDerWaalsContact C-N 3.32Å; A320-V322 PolarHBondContact O-N 2.93Å; A320-M333 HydrophobicContact CB-CB 3.98Å; A320-M333 HydrophobicContact CB-CE 3.57Å; A320-M333 HydrophobicContact CB-CG 4.28Å; A320-V359 PolarHBondContact N-O 3.06Å; A320-M361 WeakPolarHBondContact O-CA 3.31Å; A320-L362 PolarHBondContact O-N 3.35Å; A320-F418 HydrophobicContact CB-CB 3.9Å
321	R	98.3	Very high	95.8	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.011	9%	0.092	C	C	.	.			trans	51.5	45.5	175.1	-69.1	-68.3	-76.3	-81.8	6.4	114	Y259 H323 P324 E326 S330 M361 N363	Y259-R321 PolarHBondContact O-NH1 2.86Å; Y259-R321 PolarHBondContact O-NH2 2.76Å; R321-H323 VanDerWaalsContact C-N 3.25Å; R321-P324 PolarHBondContact NE-O 3.43Å; R321-P324 PolarHBondContact NH2-O 2.78Å; R321-E326 WeakPolarHBondContact CD-O 3.3Å; R321-S330 WeakPolarHBondContact CD-OG 3.21Å; R321-S330 WeakPolarHBondContact CG-OG 3.39Å; R321-S330 PolarHBondContact NH1-OG 3.27Å; R321-M361 HydrophobicContact CB-CB 4.39Å; R321-M361 HydrophobicContact CB-CG 3.93Å; R321-N363 WeakPolarHBondContact O-CB 3.28Å; R321-N363 PolarHBondContact O-N 3.46Å
322	V	98.6	Very high	97.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-67.3	-33.8	163.8	68.2	0	0	0	0	110.8	A320 L362 N363 L381 N382 Y385 V396 H419	A320-V322 VanDerWaalsContact C-N 3.32Å; A320-V322 PolarHBondContact O-N 2.93Å; V322-L362 HydrophobicContact CB-CB 4.09Å; V322-L362 HydrophobicContact CB-CD1 3.78Å; V322-L362 HydrophobicContact CG2-CB 4.43Å; V322-L362 HydrophobicContact CG2-CD1 4.21Å; V322-N363 VanDerWaalsContact O-CB 3.32Å; V322-N363 WeakPolarHBondContact O-CB 3.45Å; V322-N363 PolarHBondContact O-ND2 3.42Å; V322-L381 HydrophobicContact CG2-CB 3.42Å; V322-L381 VanDerWaalsContact CG2-CB 3.42Å; V322-L381 HydrophobicContact CG2-CD1 4.37Å; V322-N382 HydrophobicContact CG1-CB 3.96Å; V322-N382 HydrophobicContact CG2-CB 4Å; V322-Y385 HydrophobicContact CG2-CE2 4.43Å; V322-V396 HydrophobicContact CG2-CG1 4.42Å; V322-H419 WeakPolarHBondContact CG1-CE1 3.5Å; V322-H419 VanDerWaalsContact CG1-NE2 3.29Å; V322-H419 WeakPolarHBondContact CG1-NE2 3.41Å
323	H	98.4	Very high	98	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.027	C	C	.	.	S	Bend	trans	-97.6	125.4	166.8	-46.5	123.6	0	0	0	110	R321 G325 E326 R373 D380 N382 H419	R321-H323 VanDerWaalsContact C-N 3.25Å; H323-G325 PolarHBondContact O-N 3.32Å; H323-E326 HydrophobicContact CB-CB 4.41Å; H323-E326 VanDerWaalsContact CB-CD 3.45Å; H323-E326 HydrophobicContact CB-CG 3.99Å; H323-E326 WeakPolarHBondContact CB-OE1 3.49Å; H323-E326 IonicContact CE1-OE1 3.39Å; H323-E326 IonicContact CE1-OE2 3.87Å; H323-E326 IonicContact CG-OE1 3.61Å; H323-E326 IonicContact CG-OE2 3.28Å; H323-E326 IonicContact ND1-OE1 3.83Å; H323-E326 PolarHBondContact ND1-OE1 3.34Å; H323-E326 IonicContact ND1-OE2 2.71Å; H323-E326 PolarHBondContact ND1-OE2 3.41Å; H323-E326 PolarHBondContact O-N 2.67Å; H323-R373 PolarHBondContact CD2-NH1 3.32Å; H323-R373 PolarHBondContact CE1-NH1 3.03Å; H323-R373 PolarHBondContact CE1-NH2 3.32Å; H323-R373 PolarHBondContact ND1-NH1 3.3Å; H323-R373 PolarHBondContact NE2-NH1 3.17Å; H323-R373 PolarHBondContact NE2-NH2 3.45Å; H323-D380 IonicContact CD2-OD1 3.9Å; H323-D380 IonicContact NE2-OD1 2.61Å; H323-D380 PolarHBondContact NE2-OD1 2.91Å; H323-D380 IonicContact NE2-OD2 3.36Å; H323-N382 VanDerWaalsContact NE2-CB 3.3Å; H323-N382 WeakPolarHBondContact NE2-CB 3.29Å; H323-H419 AromaticContact CE1-CE1 3.07Å; H323-H419 PolarHBondContact CE1-CE1 2.66Å; H323-H419 AromaticContact CE1-ND1 3.05Å; H323-H419 PolarHBondContact CE1-ND1 2.53Å; H323-H419 AromaticContact ND1-CE1 3.45Å; H323-H419 PolarHBondContact ND1-CE1 3.38Å; H323-H419 AromaticContact ND1-ND1 3.14Å; H323-H419 PolarHBondContact ND1-ND1 3.4Å; H323-H419 VanDerWaalsContact ND1-ND1 3.14Å; H323-H419 AromaticContact NE2-CE1 3.98Å
324	P	98.3	Very high	98.4	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.006	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-35.6	-173.6	-27.2	36.4	0	0	0	115.5	R321 E326 N363 G366 V367 N371 R373	R321-P324 PolarHBondContact NE-O 3.43Å; R321-P324 PolarHBondContact NH2-O 2.78Å; P324-E326 PolarHBondContact O-N 3.44Å; P324-N363 WeakPolarHBondContact CD-ND2 3.47Å; P324-N363 HydrophobicContact CG-CB 4.13Å; P324-N363 VanDerWaalsContact CG-ND2 3.28Å; P324-N363 WeakPolarHBondContact CG-ND2 3.46Å; P324-G366 WeakPolarHBondContact CB-O 3.3Å; P324-G366 VanDerWaalsContact CG-CA 3.48Å; P324-V367 HydrophobicContact CB-CG2 3.96Å; P324-N371 HydrophobicContact CB-CB 4.24Å; P324-N371 WeakPolarHBondContact CB-O 3.07Å; P324-N371 HydrophobicContact CG-CB 4.11Å; P324-R373 WeakPolarHBondContact CD-O 3.46Å
325	G	97.8	Very high	98.6	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.9	-176.1	0	0	0	0	0	114.7	H323 T327 N371 Y372 F494	H323-G325 PolarHBondContact O-N 3.32Å; G325-T327 VanDerWaalsContact C-N 3.31Å; G325-T327 PolarHBondContact O-N 2.99Å; G325-N371 PolarHBondContact N-O 3.19Å; G325-Y372 PolarHBondContact N-O 3.42Å; G325-F494 WeakPolarHBondContact O-CE1 3.47Å; G325-F494 WeakPolarHBondContact O-CZ 3.34Å
326	E	98.4	Very high	98.6	Very high	4 Å²	4	1.7 Å²	1.7	2%	0.019	1%	0.009	C	C	.	.			trans	-91.4	59.9	-176.7	-68	172.3	-163.1	0	0	111	R321 H323 P324 N328 G329 R373 H419 G420 F494	R321-E326 WeakPolarHBondContact CD-O 3.3Å; H323-E326 HydrophobicContact CB-CB 4.41Å; H323-E326 VanDerWaalsContact CB-CD 3.45Å; H323-E326 HydrophobicContact CB-CG 3.99Å; H323-E326 WeakPolarHBondContact CB-OE1 3.49Å; H323-E326 IonicContact CE1-OE1 3.39Å; H323-E326 IonicContact CE1-OE2 3.87Å; H323-E326 IonicContact CG-OE1 3.61Å; H323-E326 IonicContact CG-OE2 3.28Å; H323-E326 IonicContact ND1-OE1 3.83Å; H323-E326 PolarHBondContact ND1-OE1 3.34Å; H323-E326 IonicContact ND1-OE2 2.71Å; H323-E326 PolarHBondContact ND1-OE2 3.41Å; H323-E326 PolarHBondContact O-N 2.67Å; P324-E326 PolarHBondContact O-N 3.44Å; E326-N328 VanDerWaalsContact C-N 3.25Å; E326-N328 VanDerWaalsContact C-OD1 3.26Å; E326-N328 PolarHBondContact O-N 3.08Å; E326-N328 PolarHBondContact O-OD1 3.01Å; E326-G329 PolarHBondContact O-N 2.86Å; E326-R373 IonicContact OE1-NH1 3.25Å; E326-R373 PolarHBondContact OE1-NH1 3Å; E326-R373 VanDerWaalsContact OE1-NH1 3.1Å; E326-H419 WeakPolarHBondContact OE2-CB 3.36Å; E326-H419 IonicContact OE2-CG 3.82Å; E326-H419 IonicContact OE2-ND1 2.85Å; E326-H419 PolarHBondContact OE2-ND1 2.8Å; E326-G420 VanDerWaalsContact CD-O 3.27Å; E326-G420 PolarHBondContact OE2-N 3.14Å; E326-F494 HydrophobicContact CB-CZ 4.34Å; E326-F494 HydrophobicContact CG-CE2 4.44Å; E326-F494 HydrophobicContact CG-CZ 3.94Å
327	T	98.5	Very high	98.6	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-62.3	-27.8	-172.4	62.8	0	0	0	0	114.2	W159 C256 Y257 G325 G329 S330 W331	W159-T327 HydrophobicContact CH2-CG2 3.61Å; W159-T327 HydrophobicContact CZ2-CG2 4.34Å; W159-T327 HydrophobicContact CZ3-CG2 3.73Å; C256-T327 WeakPolarHBondContact CB-OG1 3.32Å; Y257-T327 WeakPolarHBondContact O-CB 3.47Å; Y257-T327 PolarHBondContact O-OG1 3.04Å; G325-T327 VanDerWaalsContact C-N 3.31Å; G325-T327 PolarHBondContact O-N 2.99Å; T327-G329 PolarHBondContact O-N 2.85Å; T327-S330 WeakPolarHBondContact O-CA 2.88Å; T327-S330 VanDerWaalsContact O-CB 3.31Å; T327-S330 WeakPolarHBondContact O-CB 3.44Å; T327-S330 PolarHBondContact O-N 3.12Å; T327-W331 VanDerWaalsContact O-CD1 3.28Å; T327-W331 PolarHBondContact O-N 3.19Å
328	N	97.9	Very high	98.6	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-57.3	-30.7	172	54.3	-19	0	0	0	112.9	E326 S330 W331 M332 G420 A492 T493 F512	E326-N328 VanDerWaalsContact C-N 3.25Å; E326-N328 VanDerWaalsContact C-OD1 3.26Å; E326-N328 PolarHBondContact O-N 3.08Å; E326-N328 PolarHBondContact O-OD1 3.01Å; N328-S330 VanDerWaalsContact C-N 3.3Å; N328-S330 PolarHBondContact O-N 3.33Å; N328-W331 PolarHBondContact O-N 3.21Å; N328-M332 WeakPolarHBondContact O-CG 3.28Å; N328-M332 PolarHBondContact O-N 3.25Å; N328-G420 VanDerWaalsContact OD1-CA 3.31Å; N328-G420 WeakPolarHBondContact OD1-CA 3.18Å; N328-A492 HydrophobicContact CB-CB 4.39Å; N328-A492 VanDerWaalsContact ND2-C 3.3Å; N328-A492 WeakPolarHBondContact ND2-CB 3.5Å; N328-A492 PolarHBondContact ND2-O 3.06Å; N328-T493 PolarHBondContact ND2-O 2.88Å; N328-F512 HydrophobicContact CB-CD1 3.8Å; N328-F512 HydrophobicContact CB-CD2 4.18Å; N328-F512 HydrophobicContact CB-CE1 3.49Å; N328-F512 VanDerWaalsContact CB-CE1 3.49Å; N328-F512 HydrophobicContact CB-CE2 3.92Å; N328-F512 HydrophobicContact CB-CG 4.15Å; N328-F512 HydrophobicContact CB-CZ 3.57Å
329	G	98.4	Very high	98.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-61	-35.5	170.5	0	0	0	0	0	113.3	E326 T327 M333	E326-G329 PolarHBondContact O-N 2.86Å; T327-G329 PolarHBondContact O-N 2.85Å; G329-M333 WeakPolarHBondContact O-CB 3.34Å; G329-M333 PolarHBondContact O-N 3.39Å
330	S	98.8	Very high	98.5	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.014	3%	0.032	C	C	.	.	H	α-helix	trans	-69.7	-39.4	173.8	-68.7	0	0	0	0	112.6	R321 T327 N328 M333 E334	R321-S330 WeakPolarHBondContact CD-OG 3.21Å; R321-S330 WeakPolarHBondContact CG-OG 3.39Å; R321-S330 PolarHBondContact NH1-OG 3.27Å; T327-S330 WeakPolarHBondContact O-CA 2.88Å; T327-S330 VanDerWaalsContact O-CB 3.31Å; T327-S330 WeakPolarHBondContact O-CB 3.44Å; T327-S330 PolarHBondContact O-N 3.12Å; N328-S330 VanDerWaalsContact C-N 3.3Å; N328-S330 PolarHBondContact O-N 3.33Å; S330-M333 WeakPolarHBondContact O-CB 3.41Å; S330-M333 PolarHBondContact O-N 2.74Å; S330-E334 PolarHBondContact O-N 3.35Å
331	W	98.8	Very high	98.5	Very high	10 Å²	10	7 Å²	7	4%	0.038	4%	0.036	C	C	.	.	H	α-helix	trans	-68.7	-38.4	178.9	-68.6	108.9	0	0	0	112	Y257 Y259 R263 T327 N328 M333 E334 G335 T509 F512 K513	Y257-W331 PolarHBondContact O-NE1 3.09Å; Y259-W331 AromaticContact CD2-CD2 3.84Å; Y259-W331 HydrophobicContact CD2-CD2 3.84Å; Y259-W331 AromaticContact CD2-CE2 3.76Å; Y259-W331 HydrophobicContact CD2-CE3 4.19Å; Y259-W331 HydrophobicContact CD2-CG 4.25Å; Y259-W331 HydrophobicContact CD2-CH2 4.46Å; Y259-W331 HydrophobicContact CD2-CZ2 4.09Å; Y259-W331 HydrophobicContact CD2-CZ3 4.49Å; Y259-W331 HydrophobicContact CE2-CD2 4.38Å; Y259-W331 HydrophobicContact CE2-CE3 4.32Å; R263-W331 VanDerWaalsContact CZ-CH2 3.47Å; T327-W331 VanDerWaalsContact O-CD1 3.28Å; T327-W331 PolarHBondContact O-N 3.19Å; N328-W331 PolarHBondContact O-N 3.21Å; W331-M333 VanDerWaalsContact C-N 3.31Å; W331-M333 PolarHBondContact O-N 2.72Å; W331-E334 PolarHBondContact O-N 3.07Å; W331-G335 PolarHBondContact O-N 2.87Å; W331-G335 VanDerWaalsContact O-N 3.14Å; W331-T509 HydrophobicContact CD2-CG2 3.81Å; W331-T509 HydrophobicContact CE3-CG2 4.09Å; W331-T509 HydrophobicContact CG-CG2 4.38Å; W331-T509 HydrophobicContact CH2-CG2 3.99Å; W331-T509 HydrophobicContact CZ2-CG2 3.74Å; W331-T509 HydrophobicContact CZ3-CG2 4.17Å; W331-F512 HydrophobicContact CB-CB 3.5Å; W331-F512 VanDerWaalsContact CB-CB 3.5Å; W331-F512 HydrophobicContact CB-CD2 4.21Å; W331-F512 HydrophobicContact CB-CG 4.18Å; W331-K513 WeakPolarHBondContact O-CA 3.2Å; W331-K513 WeakPolarHBondContact O-CG 3.46Å
332	M	98.9	Very high	98.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.8	-42.1	168.9	-67.9	-167.5	-67.5	0	0	111.8	N328 G335 F336 F418 V427 M490 A492 F512 M515 G516	N328-M332 WeakPolarHBondContact O-CG 3.28Å; N328-M332 PolarHBondContact O-N 3.25Å; M332-G335 PolarHBondContact O-N 3.42Å; M332-F336 WeakPolarHBondContact O-CB 3.25Å; M332-F336 PolarHBondContact O-N 2.81Å; M332-F418 HydrophobicContact CB-CD2 3.71Å; M332-F418 HydrophobicContact CB-CE2 3.99Å; M332-F418 HydrophobicContact CB-CG 4.46Å; M332-F418 HydrophobicContact CE-CB 3.99Å; M332-F418 HydrophobicContact CE-CG 4.23Å; M332-V427 HydrophobicContact SD-CG1 4.49Å; M332-M490 HydrophobicContact SD-CE 3.99Å; M332-A492 HydrophobicContact CE-CB 3.5Å; M332-A492 VanDerWaalsContact CE-CB 3.5Å; M332-A492 HydrophobicContact SD-CB 3.66Å; M332-F512 WeakPolarHBondContact CA-O 3.43Å; M332-F512 HydrophobicContact CG-CB 4.25Å; M332-F512 WeakPolarHBondContact CG-O 3.44Å; M332-M515 HydrophobicContact CG-CB 4.07Å; M332-M515 HydrophobicContact SD-CB 4.01Å; M332-G516 WeakPolarHBondContact O-CA 3.28Å
333	M	98.9	Very high	98.2	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.015	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-41.5	177.9	179.1	61.6	70.3	0	0	112.4	V318 A320 G329 S330 W331 F336 L337 V358 P360 F418	V318-M333 HydrophobicContact CB-CE 4.27Å; V318-M333 HydrophobicContact CG1-CE 3.64Å; A320-M333 HydrophobicContact CB-CB 3.98Å; A320-M333 HydrophobicContact CB-CE 3.57Å; A320-M333 HydrophobicContact CB-CG 4.28Å; G329-M333 WeakPolarHBondContact O-CB 3.34Å; G329-M333 PolarHBondContact O-N 3.39Å; S330-M333 WeakPolarHBondContact O-CB 3.41Å; S330-M333 PolarHBondContact O-N 2.74Å; W331-M333 VanDerWaalsContact C-N 3.31Å; W331-M333 PolarHBondContact O-N 2.72Å; M333-F336 WeakPolarHBondContact O-CB 3.4Å; M333-F336 PolarHBondContact O-N 3.25Å; M333-F336 HydrophobicContact SD-CD1 4.04Å; M333-L337 HydrophobicContact CG-CD1 4.15Å; M333-L337 WeakPolarHBondContact O-CG 3.19Å; M333-L337 PolarHBondContact O-N 2.98Å; M333-L337 HydrophobicContact SD-CD1 4.28Å; M333-L337 HydrophobicContact SD-CG 4.24Å; M333-V358 HydrophobicContact CE-CG1 3.81Å; M333-V358 HydrophobicContact SD-CG1 3.29Å; M333-V358 WeakPolarHBondContact SD-CG1 3.47Å; M333-P360 HydrophobicContact CG-CB 3.76Å; M333-P360 HydrophobicContact SD-CB 4.42Å; M333-F418 HydrophobicContact CB-CD2 4.24Å; M333-F418 HydrophobicContact CE-CD2 4.22Å
334	E	98.7	Very high	98.1	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.028	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-45.6	176.3	-170.4	165.5	118.7	0	0	110.6	Y259 R263 Y267 S330 W331 F336 L337 D338 K513	Y259-E334 HydrophobicContact CE2-CB 4.29Å; Y259-E334 WeakPolarHBondContact CE2-OE2 3.4Å; Y259-E334 PolarHBondContact OH-OE2 2.89Å; R263-E334 IonicContact CZ-OE1 3.37Å; R263-E334 IonicContact NE-OE2 3.18Å; R263-E334 PolarHBondContact NE-OE2 3.34Å; R263-E334 IonicContact NH2-OE1 3.36Å; R263-E334 PolarHBondContact NH2-OE1 3.26Å; R263-E334 IonicContact NH2-OE2 3.85Å; Y267-E334 HydrophobicContact CD2-CG 4.18Å; Y267-E334 HydrophobicContact CE2-CG 3.77Å; S330-E334 PolarHBondContact O-N 3.35Å; W331-E334 PolarHBondContact O-N 3.07Å; E334-F336 VanDerWaalsContact C-N 3.34Å; E334-F336 PolarHBondContact O-N 3.45Å; E334-L337 PolarHBondContact O-N 2.91Å; E334-D338 WeakPolarHBondContact O-CB 3.24Å; E334-D338 PolarHBondContact O-N 3.16Å; E334-K513 WeakPolarHBondContact OE1-CE 3.5Å; E334-K513 IonicContact OE1-NZ 3.8Å; E334-K513 PolarHBondContact OE1-NZ 3.37Å
335	G	98.6	Very high	98	Very high	5 Å²	5	23.2 Å²	23.2	5%	0.052	13%	0.132	C	C	.	.	H	α-helix	trans	-65.8	-33.1	176.2	0	0	0	0	0	114.4	W331 M332 F339 K513	W331-G335 PolarHBondContact O-N 2.87Å; W331-G335 VanDerWaalsContact O-N 3.14Å; M332-G335 PolarHBondContact O-N 3.42Å; G335-F339 PolarHBondContact O-N 3.31Å; G335-F339 VanDerWaalsContact O-N 3.15Å; G335-K513 WeakPolarHBondContact CA-O 3.36Å
336	F	98.9	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-44.1	172.8	171.6	-98.4	0	0	0	111.4	V318 M332 M333 E334 L340 F356 V358 F418 F519 C520	V318-F336 HydrophobicContact CB-CE1 4.09Å; V318-F336 HydrophobicContact CB-CZ 4.24Å; V318-F336 HydrophobicContact CG1-CE1 4.49Å; V318-F336 HydrophobicContact CG2-CE1 3.91Å; V318-F336 HydrophobicContact CG2-CE2 4.13Å; V318-F336 HydrophobicContact CG2-CZ 3.54Å; M332-F336 WeakPolarHBondContact O-CB 3.25Å; M332-F336 PolarHBondContact O-N 2.81Å; M333-F336 WeakPolarHBondContact O-CB 3.4Å; M333-F336 PolarHBondContact O-N 3.25Å; M333-F336 HydrophobicContact SD-CD1 4.04Å; E334-F336 VanDerWaalsContact C-N 3.34Å; E334-F336 PolarHBondContact O-N 3.45Å; F336-L340 HydrophobicContact CD1-CD1 4.15Å; F336-L340 HydrophobicContact CE1-CD1 3.46Å; F336-L340 VanDerWaalsContact CE1-CD1 3.46Å; F336-L340 HydrophobicContact CE2-CD1 3.89Å; F336-L340 HydrophobicContact CE2-CG 4.43Å; F336-L340 HydrophobicContact CZ-CD1 3.31Å; F336-L340 HydrophobicContact CZ-CG 4.29Å; F336-L340 WeakPolarHBondContact O-CG 3.38Å; F336-L340 PolarHBondContact O-N 3.37Å; F336-L340 VanDerWaalsContact O-N 3.17Å; F336-F356 AromaticContact CZ-CD1 3.89Å; F336-F356 HydrophobicContact CZ-CD1 3.89Å; F336-F356 HydrophobicContact CZ-CE1 4.17Å; F336-V358 HydrophobicContact CE1-CG1 4.32Å; F336-V358 HydrophobicContact CE1-CG2 3.81Å; F336-F418 HydrophobicContact CB-CE2 4.18Å; F336-F519 AromaticContact CD2-CD1 3.79Å; F336-F519 HydrophobicContact CD2-CD1 3.79Å; F336-F519 HydrophobicContact CD2-CE1 4.39Å; F336-F519 AromaticContact CE2-CD1 3.58Å; F336-F519 HydrophobicContact CE2-CD1 3.58Å; F336-F519 AromaticContact CE2-CE1 3.83Å; F336-F519 HydrophobicContact CE2-CE1 3.83Å; F336-C520 WeakPolarHBondContact CD2-SG 3.3Å; F336-C520 WeakPolarHBondContact CE2-SG 3.46Å
337	L	98.8	Very high	98	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-69.2	-43.4	176.4	-69.3	173	0	0	0	111.8	Y267 M298 I300 M333 E334 F339 L340 L341 V358 P360	Y267-L337 HydrophobicContact CE1-CB 4.11Å; Y267-L337 HydrophobicContact CE1-CD1 3.82Å; Y267-L337 VanDerWaalsContact OH-CB 3.28Å; Y267-L337 WeakPolarHBondContact OH-CB 3.46Å; M298-L337 HydrophobicContact CE-CD2 4.03Å; M298-L337 HydrophobicContact SD-CD1 3.78Å; M298-L337 HydrophobicContact SD-CD2 3.7Å; M298-L337 HydrophobicContact SD-CG 4.41Å; I300-L337 HydrophobicContact CD1-CD2 3.65Å; M333-L337 HydrophobicContact CG-CD1 4.15Å; M333-L337 WeakPolarHBondContact O-CG 3.19Å; M333-L337 PolarHBondContact O-N 2.98Å; M333-L337 HydrophobicContact SD-CD1 4.28Å; M333-L337 HydrophobicContact SD-CG 4.24Å; E334-L337 PolarHBondContact O-N 2.91Å; L337-F339 PolarHBondContact O-N 3.43Å; L337-L340 PolarHBondContact O-N 3.46Å; L337-L341 HydrophobicContact CB-CD1 4.41Å; L337-L341 VanDerWaalsContact O-CB 3.31Å; L337-L341 WeakPolarHBondContact O-CB 3.34Å; L337-L341 WeakPolarHBondContact O-CG 3.47Å; L337-L341 PolarHBondContact O-N 3.1Å; L337-V358 HydrophobicContact CD2-CB 4.36Å; L337-V358 HydrophobicContact CD2-CG1 4.02Å; L337-V358 HydrophobicContact CD2-CG2 4.32Å; L337-P360 HydrophobicContact CD1-CB 4.42Å
338	D	98.2	Very high	97.8	Very high	67 Å²	67	31.3 Å²	31.3	36%	0.358	17%	0.172	S	C	.	.	H	α-helix	trans	-55.5	-42	178	-71.1	-14.8	0	0	0	110.8	Y267 E334 G342 K513	Y267-D338 VanDerWaalsContact CE2-OD1 3.26Å; Y267-D338 WeakPolarHBondContact CE2-OD1 2.98Å; Y267-D338 PolarHBondContact OH-N 3.31Å; Y267-D338 PolarHBondContact OH-OD1 3.05Å; E334-D338 WeakPolarHBondContact O-CB 3.24Å; E334-D338 PolarHBondContact O-N 3.16Å; D338-G342 PolarHBondContact O-N 3.4Å; D338-K513 IonicContact OD2-NZ 3.02Å; D338-K513 PolarHBondContact OD2-NZ 2.75Å
339	F	98.5	Very high	97.7	Very high	25 Å²	25	34.4 Å²	34.4	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-68.2	-52.3	175.3	-175.9	-102.9	0	0	0	112.6	G335 L337 L341 G342 D346 A347 L350 F517 C520	G335-F339 PolarHBondContact O-N 3.31Å; G335-F339 VanDerWaalsContact O-N 3.15Å; L337-F339 PolarHBondContact O-N 3.43Å; F339-L341 PolarHBondContact O-N 3.39Å; F339-G342 PolarHBondContact O-N 2.79Å; F339-D346 HydrophobicContact CZ-CB 3.83Å; F339-A347 HydrophobicContact CE1-CB 4.46Å; F339-A347 WeakPolarHBondContact O-CB 3.37Å; F339-L350 HydrophobicContact CD1-CD1 4.27Å; F339-L350 HydrophobicContact CE1-CD1 3.73Å; F339-F517 AromaticContact CD2-CD2 3.39Å; F339-F517 HydrophobicContact CD2-CD2 3.39Å; F339-F517 AromaticContact CD2-CE2 3.74Å; F339-F517 HydrophobicContact CD2-CE2 3.74Å; F339-F517 AromaticContact CE2-CD2 3.62Å; F339-F517 HydrophobicContact CE2-CD2 3.62Å; F339-F517 AromaticContact CE2-CE2 3.45Å; F339-F517 HydrophobicContact CE2-CE2 3.45Å; F339-F517 VanDerWaalsContact CE2-CE2 3.45Å; F339-F517 HydrophobicContact CG-CD2 4.04Å; F339-F517 HydrophobicContact CZ-CD2 4.44Å; F339-F517 HydrophobicContact CZ-CE2 4.2Å; F339-C520 HydrophobicContact CD1-CB 3.19Å; F339-C520 HydrophobicContact CE1-CB 3.39Å; F339-C520 HydrophobicContact CG-CB 4.18Å; F339-C520 HydrophobicContact CZ-CB 4.49Å
340	L	98.3	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-28.3	-176.9	-75.5	-176.6	0	0	0	113.9	I300 F336 L337 L350 R351 F356	I300-L340 HydrophobicContact CD1-CB 4.38Å; I300-L340 HydrophobicContact CD1-CD1 4.19Å; F336-L340 HydrophobicContact CD1-CD1 4.15Å; F336-L340 HydrophobicContact CE1-CD1 3.46Å; F336-L340 VanDerWaalsContact CE1-CD1 3.46Å; F336-L340 HydrophobicContact CE2-CD1 3.89Å; F336-L340 HydrophobicContact CE2-CG 4.43Å; F336-L340 HydrophobicContact CZ-CD1 3.31Å; F336-L340 HydrophobicContact CZ-CG 4.29Å; F336-L340 WeakPolarHBondContact O-CG 3.38Å; F336-L340 PolarHBondContact O-N 3.37Å; F336-L340 VanDerWaalsContact O-N 3.17Å; L337-L340 PolarHBondContact O-N 3.46Å; L340-L350 HydrophobicContact CD2-CB 4.06Å; L340-L350 HydrophobicContact CD2-CD1 3.68Å; L340-R351 WeakPolarHBondContact O-CD 3.48Å; L340-R351 PolarHBondContact O-NH1 3.26Å; L340-F356 HydrophobicContact CD1-CB 4.32Å; L340-F356 HydrophobicContact CD1-CD1 3.74Å; L340-F356 HydrophobicContact CD1-CD2 4.02Å; L340-F356 HydrophobicContact CD1-CE1 3.99Å; L340-F356 HydrophobicContact CD1-CE2 4.25Å; L340-F356 HydrophobicContact CD1-CG 3.75Å; L340-F356 HydrophobicContact CD1-CZ 4.25Å; L340-F356 HydrophobicContact CD2-CD2 4.23Å; L340-F356 HydrophobicContact CD2-CE1 4.15Å; L340-F356 HydrophobicContact CD2-CE2 3.71Å; L340-F356 HydrophobicContact CD2-CZ 3.67Å
341	L	97.6	Very high	97.5	Very high	18 Å²	18	35 Å²	35	9%	0.094	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.7	178.5	-56.3	176.5	0	0	0	112.5	I271 V277 Y280 C281 M298 I300 L337 F339	I271-L341 HydrophobicContact CD1-CD1 3.45Å; I271-L341 VanDerWaalsContact CD1-CD1 3.45Å; I271-L341 HydrophobicContact CG1-CD1 3.81Å; I271-L341 HydrophobicContact CG2-CD1 4.18Å; V277-L341 HydrophobicContact CG1-CB 4.38Å; V277-L341 HydrophobicContact CG1-CD1 4.42Å; V277-L341 HydrophobicContact CG1-CD2 3.81Å; V277-L341 HydrophobicContact CG1-CG 4.42Å; Y280-L341 HydrophobicContact CE2-CD2 4.06Å; Y280-L341 PolarHBondContact OH-O 3.35Å; Y280-L341 VanDerWaalsContact OH-O 3.04Å; C281-L341 HydrophobicContact CB-CD2 3.83Å; M298-L341 HydrophobicContact CE-CD1 4.11Å; I300-L341 HydrophobicContact CD1-CD2 3.88Å; I300-L341 HydrophobicContact CD1-CG 4.43Å; I300-L341 HydrophobicContact CG1-CD2 4.1Å; I300-L341 HydrophobicContact CG2-CD2 3.87Å; L337-L341 HydrophobicContact CB-CD1 4.41Å; L337-L341 VanDerWaalsContact O-CB 3.31Å; L337-L341 WeakPolarHBondContact O-CB 3.34Å; L337-L341 WeakPolarHBondContact O-CG 3.47Å; L337-L341 PolarHBondContact O-N 3.1Å; F339-L341 PolarHBondContact O-N 3.39Å
342	G	96.1	Very high	97.3	Very high	21 Å²	21	37.7 Å²	37.7	22%	0.216	21%	0.208	C	C	.	.	S	Bend	trans	-72.4	172.7	175	0	0	0	0	0	113.3	D338 F339 R351	D338-G342 PolarHBondContact O-N 3.4Å; F339-G342 PolarHBondContact O-N 2.79Å; G342-R351 PolarHBondContact O-NH1 3.3Å
343	D	95	Very high	97.1	Very high	156 Å²	156	42 Å²	42	83%	0.834	23%	0.231	S	C	*	.			trans	-97.1	5.5	-177.1	59.8	-13.7	0	0	0	113.9
344	S	96.9	Very high	97	Very high	43 Å²	43	42.5 Å²	42.5	30%	0.301	23%	0.233	S	C	.	.			trans	-66.7	148.8	177.4	68.5	0	0	0	0	112.4	D346 A347 Q348	S344-D346 PolarHBondContact O-N 3.12Å; S344-A347 WeakPolarHBondContact O-CB 3.02Å; S344-A347 PolarHBondContact O-N 2.88Å; S344-A347 VanDerWaalsContact O-N 3.09Å; S344-A347 VanDerWaalsContact OG-CB 3.28Å; S344-A347 WeakPolarHBondContact OG-CB 3.42Å; S344-A347 PolarHBondContact OG-N 2.7Å; S344-Q348 PolarHBondContact O-N 2.69Å
345	D	96.8	Very high	96.9	Very high	126 Å²	126	43.2 Å²	43.2	67%	0.674	24%	0.237	S	C	*	.	H	α-helix	trans	-56.7	-41.6	175.3	-65.5	-29.1	0	0	0	111.1	A347 Q348 V349	D345-A347 VanDerWaalsContact C-N 3.35Å; D345-A347 PolarHBondContact O-N 2.83Å; D345-Q348 CarbonylContact O-C 3.44Å; D345-Q348 WeakPolarHBondContact O-CA 3.46Å; D345-Q348 WeakPolarHBondContact O-CB 3.04Å; D345-Q348 PolarHBondContact O-N 3.05Å; D345-Q348 VanDerWaalsContact O-N 3.1Å; D345-V349 WeakPolarHBondContact O-CG2 3.43Å; D345-V349 PolarHBondContact O-N 3.21Å
346	D	97.3	Very high	96.9	Very high	81 Å²	81	43 Å²	43	43%	0.433	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-41.6	176	-75.9	-17.7	0	0	0	112.7	F339 S344 Q348 V349 L350 L524	F339-D346 HydrophobicContact CZ-CB 3.83Å; S344-D346 PolarHBondContact O-N 3.12Å; D346-Q348 VanDerWaalsContact C-N 3.33Å; D346-V349 PolarHBondContact O-N 2.89Å; D346-L350 PolarHBondContact O-N 3.42Å; D346-L524 HydrophobicContact CB-CD1 3.65Å
347	A	97.3	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-38.2	175.1	0	0	0	0	0	111.1	F339 S344 D345 L350 R351	F339-A347 HydrophobicContact CE1-CB 4.46Å; F339-A347 WeakPolarHBondContact O-CB 3.37Å; S344-A347 WeakPolarHBondContact O-CB 3.02Å; S344-A347 PolarHBondContact O-N 2.88Å; S344-A347 VanDerWaalsContact O-N 3.09Å; S344-A347 VanDerWaalsContact OG-CB 3.28Å; S344-A347 WeakPolarHBondContact OG-CB 3.42Å; S344-A347 PolarHBondContact OG-N 2.7Å; D345-A347 VanDerWaalsContact C-N 3.35Å; D345-A347 PolarHBondContact O-N 2.83Å; A347-L350 PolarHBondContact O-N 3.09Å; A347-R351 WeakPolarHBondContact O-CG 3.36Å; A347-R351 PolarHBondContact O-N 3.43Å
348	Q	95.9	Very high	96.9	Very high	93 Å²	93	44.9 Å²	44.9	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-46.3	174	-175.6	171	8.5	0	0	111.9	S344 D345 D346 L350 R351 D352	S344-Q348 PolarHBondContact O-N 2.69Å; D345-Q348 CarbonylContact O-C 3.44Å; D345-Q348 WeakPolarHBondContact O-CA 3.46Å; D345-Q348 WeakPolarHBondContact O-CB 3.04Å; D345-Q348 PolarHBondContact O-N 3.05Å; D345-Q348 VanDerWaalsContact O-N 3.1Å; D346-Q348 VanDerWaalsContact C-N 3.33Å; Q348-L350 VanDerWaalsContact C-N 3.27Å; Q348-L350 PolarHBondContact O-N 3.42Å; Q348-R351 CarbonylContact O-C 3.49Å; Q348-R351 PolarHBondContact O-N 3.19Å; Q348-D352 WeakPolarHBondContact O-CB 3.39Å; Q348-D352 VanDerWaalsContact O-CG 3.25Å; Q348-D352 PolarHBondContact O-N 2.86Å
349	V	95.8	Very high	97	Very high	65 Å²	65	41.7 Å²	41.7	39%	0.394	23%	0.225	S	C	.	.	H	α-helix	trans	-55.8	-44	175.8	170.3	0	0	0	0	110.7	D345 D346 D352 N353 L524	D345-V349 WeakPolarHBondContact O-CG2 3.43Å; D345-V349 PolarHBondContact O-N 3.21Å; D346-V349 PolarHBondContact O-N 2.89Å; V349-D352 PolarHBondContact O-N 3.48Å; V349-N353 PolarHBondContact O-N 3.34Å; V349-N353 VanDerWaalsContact O-N 3.08Å; V349-N353 PolarHBondContact O-ND2 2.74Å; V349-L524 HydrophobicContact CB-CD2 4.23Å; V349-L524 HydrophobicContact CG1-CD2 3.73Å
350	L	97.1	Very high	97	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-46.7	174.7	-75.1	179.5	0	0	0	112.1	F339 L340 D346 A347 Q348 D352 N353 F354 F356 C520 L523 L524	F339-L350 HydrophobicContact CD1-CD1 4.27Å; F339-L350 HydrophobicContact CE1-CD1 3.73Å; L340-L350 HydrophobicContact CD2-CB 4.06Å; L340-L350 HydrophobicContact CD2-CD1 3.68Å; D346-L350 PolarHBondContact O-N 3.42Å; A347-L350 PolarHBondContact O-N 3.09Å; Q348-L350 VanDerWaalsContact C-N 3.27Å; Q348-L350 PolarHBondContact O-N 3.42Å; L350-D352 VanDerWaalsContact C-N 3.27Å; L350-D352 PolarHBondContact O-N 2.87Å; L350-N353 PolarHBondContact O-N 2.94Å; L350-F354 HydrophobicContact CD2-CD2 3.89Å; L350-F354 HydrophobicContact CD2-CE2 3.88Å; L350-F354 WeakPolarHBondContact O-CB 3.38Å; L350-F354 WeakPolarHBondContact O-CD2 3.19Å; L350-F354 PolarHBondContact O-N 2.97Å; L350-F356 HydrophobicContact CB-CE2 4Å; L350-F356 HydrophobicContact CB-CZ 4Å; L350-F356 HydrophobicContact CD1-CZ 4.46Å; L350-F356 HydrophobicContact CD2-CZ 4.31Å; L350-F356 HydrophobicContact CG-CZ 4.5Å; L350-C520 HydrophobicContact CD1-CB 3.7Å; L350-L523 HydrophobicContact CD2-CB 4.38Å; L350-L523 HydrophobicContact CD2-CD2 3.85Å; L350-L523 HydrophobicContact CD2-CG 4.06Å; L350-L524 HydrophobicContact CD1-CG 4.31Å; L350-L524 HydrophobicContact CD2-CD2 3.62Å; L350-L524 HydrophobicContact CD2-CG 3.78Å; L350-L524 HydrophobicContact CG-CD1 4.42Å; L350-L524 HydrophobicContact CG-CD2 3.72Å; L350-L524 HydrophobicContact CG-CG 3.91Å
351	R	96.3	Very high	97	Very high	14 Å²	14	40.9 Å²	40.9	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-29.5	178.9	-69.3	-172.4	-58.2	-97.9	2.2	113	Y280 I300 T301 T302 K313 L340 G342 A347 Q348	Y280-R351 VanDerWaalsContact CD2-CD 3.46Å; I300-R351 HydrophobicContact CG2-CG 4.13Å; T301-R351 PolarHBondContact OG1-O 3.27Å; T301-R351 VanDerWaalsContact OG1-O 3.09Å; T302-R351 PolarHBondContact N-O 3.17Å; T302-R351 WeakPolarHBondContact OG1-CB 3.28Å; K313-R351 PolarHBondContact NZ-O 2.87Å; L340-R351 WeakPolarHBondContact O-CD 3.48Å; L340-R351 PolarHBondContact O-NH1 3.26Å; G342-R351 PolarHBondContact O-NH1 3.3Å; A347-R351 WeakPolarHBondContact O-CG 3.36Å; A347-R351 PolarHBondContact O-N 3.43Å; Q348-R351 CarbonylContact O-C 3.49Å; Q348-R351 PolarHBondContact O-N 3.19Å
352	D	93.9	Very high	97.1	Very high	66 Å²	66	40 Å²	40	35%	0.353	22%	0.218	S	C	.	.	H	α-helix	trans	-75.1	-35	178.5	-71.5	-12.1	0	0	0	111.7	T302 K313 Q348 V349 L350	T302-D352 WeakPolarHBondContact CB-OD1 3.41Å; T302-D352 WeakPolarHBondContact CG2-OD1 3.47Å; T302-D352 PolarHBondContact OG1-OD1 2.83Å; K313-D352 WeakPolarHBondContact CD-O 3.38Å; K313-D352 WeakPolarHBondContact CE-O 3.46Å; K313-D352 PolarHBondContact NZ-O 3.39Å; K313-D352 VanDerWaalsContact NZ-O 3.17Å; Q348-D352 WeakPolarHBondContact O-CB 3.39Å; Q348-D352 VanDerWaalsContact O-CG 3.25Å; Q348-D352 PolarHBondContact O-N 2.86Å; V349-D352 PolarHBondContact O-N 3.48Å; L350-D352 VanDerWaalsContact C-N 3.27Å; L350-D352 PolarHBondContact O-N 2.87Å
353	N	93.6	Very high	97.2	Very high	91 Å²	91	39.1 Å²	39.1	49%	0.487	21%	0.208	S	C	.	.	H	α-helix	trans	-94.6	-22.9	-177.4	-71.8	-82.3	0	0	0	114.1	K313 K314 V349 L350	K313-N353 WeakPolarHBondContact CA-O 3.46Å; K314-N353 PolarHBondContact N-O 3.17Å; K314-N353 VanDerWaalsContact N-O 3.13Å; V349-N353 PolarHBondContact O-N 3.34Å; V349-N353 VanDerWaalsContact O-N 3.08Å; V349-N353 PolarHBondContact O-ND2 2.74Å; L350-N353 PolarHBondContact O-N 2.94Å
354	F	97	Very high	97.4	Very high	13 Å²	13	31.7 Å²	31.7	6%	0.057	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.1	-173	-59.7	-77.3	0	0	0	114.9	T301 K314 V316 L350 F356 V413 L523 C527	T301-F354 VanDerWaalsContact CB-O 3.3Å; T301-F354 WeakPolarHBondContact CB-O 3.16Å; T301-F354 PolarHBondContact OG1-O 2.81Å; K314-F354 HydrophobicContact CB-CD1 3.9Å; K314-F354 HydrophobicContact CB-CE1 3.91Å; K314-F354 CarbonylContact O-C 3.53Å; K314-F354 WeakPolarHBondContact O-CA 3.35Å; V316-F354 HydrophobicContact CG2-CD1 3.84Å; V316-F354 HydrophobicContact CG2-CE1 4.3Å; V316-F354 HydrophobicContact CG2-CG 4.29Å; L350-F354 HydrophobicContact CD2-CD2 3.89Å; L350-F354 HydrophobicContact CD2-CE2 3.88Å; L350-F354 WeakPolarHBondContact O-CB 3.38Å; L350-F354 WeakPolarHBondContact O-CD2 3.19Å; L350-F354 PolarHBondContact O-N 2.97Å; F354-F356 HydrophobicContact CB-CD2 4.08Å; F354-F356 HydrophobicContact CB-CE2 3.57Å; F354-F356 HydrophobicContact CB-CZ 3.81Å; F354-F356 HydrophobicContact CD2-CZ 4.19Å; F354-F356 HydrophobicContact CG-CE2 4.41Å; F354-F356 HydrophobicContact CG-CZ 4.22Å; F354-V413 HydrophobicContact CD1-CG2 4.33Å; F354-V413 HydrophobicContact CE1-CG2 3.87Å; F354-L523 HydrophobicContact CD2-CD2 4.34Å; F354-L523 HydrophobicContact CE2-CD2 4.31Å; F354-L523 HydrophobicContact CE2-CG 4.28Å; F354-L523 HydrophobicContact CZ-CD1 4.44Å; F354-L523 HydrophobicContact CZ-CG 4.43Å; F354-C527 HydrophobicContact CE2-CB 4.34Å; F354-C527 HydrophobicContact CZ-CB 3.58Å
355	I	97.6	Very high	97.4	Very high	20 Å²	20	29.8 Å²	29.8	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.4	161.2	-56.9	172	0	0	0	107.5	T299 T301 K313 K314 A315 V316	T299-I355 HydrophobicContact CG2-CG2 4.04Å; T301-I355 HydrophobicContact CG2-CG1 4.42Å; K313-I355 HydrophobicContact CB-CD1 4.32Å; K313-I355 HydrophobicContact CB-CG1 4.06Å; K313-I355 HydrophobicContact CD-CG1 4.2Å; K314-I355 PolarHBondContact O-N 2.9Å; A315-I355 VanDerWaalsContact CA-O 3.29Å; A315-I355 WeakPolarHBondContact CA-O 3.46Å; V316-I355 PolarHBondContact N-O 2.75Å
356	F	98.8	Very high	97.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126	174.4	-64.4	-88	0	0	0	110.2	T299 I300 V316 F336 L340 L350 F354 V358 L523	T299-F356 VanDerWaalsContact CA-O 3.27Å; T299-F356 WeakPolarHBondContact CA-O 3.5Å; I300-F356 HydrophobicContact CB-CB 4.11Å; I300-F356 PolarHBondContact N-O 2.83Å; I300-F356 WeakPolarHBondContact O-CD2 3.43Å; I300-F356 PolarHBondContact O-N 3.22Å; V316-F356 HydrophobicContact CB-CD1 3.7Å; V316-F356 HydrophobicContact CB-CE1 3.78Å; V316-F356 HydrophobicContact CG1-CD1 3.96Å; V316-F356 HydrophobicContact CG1-CE1 3.98Å; V316-F356 HydrophobicContact CG2-CE1 4.14Å; V316-F356 CarbonylContact O-C 3.52Å; V316-F356 WeakPolarHBondContact O-CA 3.25Å; F336-F356 AromaticContact CZ-CD1 3.89Å; F336-F356 HydrophobicContact CZ-CD1 3.89Å; F336-F356 HydrophobicContact CZ-CE1 4.17Å; L340-F356 HydrophobicContact CD1-CB 4.32Å; L340-F356 HydrophobicContact CD1-CD1 3.74Å; L340-F356 HydrophobicContact CD1-CD2 4.02Å; L340-F356 HydrophobicContact CD1-CE1 3.99Å; L340-F356 HydrophobicContact CD1-CE2 4.25Å; L340-F356 HydrophobicContact CD1-CG 3.75Å; L340-F356 HydrophobicContact CD1-CZ 4.25Å; L340-F356 HydrophobicContact CD2-CD2 4.23Å; L340-F356 HydrophobicContact CD2-CE1 4.15Å; L340-F356 HydrophobicContact CD2-CE2 3.71Å; L340-F356 HydrophobicContact CD2-CZ 3.67Å; L350-F356 HydrophobicContact CB-CE2 4Å; L350-F356 HydrophobicContact CB-CZ 4Å; L350-F356 HydrophobicContact CD1-CZ 4.46Å; L350-F356 HydrophobicContact CD2-CZ 4.31Å; L350-F356 HydrophobicContact CG-CZ 4.5Å; F354-F356 HydrophobicContact CB-CD2 4.08Å; F354-F356 HydrophobicContact CB-CE2 3.57Å; F354-F356 HydrophobicContact CB-CZ 3.81Å; F354-F356 HydrophobicContact CD2-CZ 4.19Å; F354-F356 HydrophobicContact CG-CE2 4.41Å; F354-F356 HydrophobicContact CG-CZ 4.22Å; F356-V358 HydrophobicContact CB-CG2 4.13Å; F356-L523 HydrophobicContact CE1-CD2 3.65Å; F356-L523 HydrophobicContact CZ-CD2 3.76Å
357	K	98.8	Very high	97.6	Very high	43 Å²	43	20 Å²	20	19%	0.187	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.7	165.9	-67.4	-64.9	-176.3	176.2	0	109	M298 T299 V316 V317 V318 M402 L406	M298-K357 WeakPolarHBondContact O-CA 3.35Å; T299-K357 HydrophobicContact CG2-CD 4.19Å; T299-K357 PolarHBondContact OG1-NZ 3.22Å; V316-K357 PolarHBondContact O-N 3.47Å; V317-K357 WeakPolarHBondContact CA-O 3.41Å; V317-K357 HydrophobicContact CG2-CB 4.3Å; V318-K357 PolarHBondContact N-O 2.79Å; K357-M402 HydrophobicContact CB-CE 4.07Å; K357-M402 HydrophobicContact CB-SD 4.36Å; K357-M402 HydrophobicContact CD-SD 4.48Å; K357-L406 HydrophobicContact CB-CD2 4.39Å; K357-L406 HydrophobicContact CG-CD2 3.71Å
358	V	98.9	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.9	-171.7	-168.5	0	0	0	0	110.7	V297 M298 I300 V318 M333 F336 L337 F356 P360	V297-V358 CarbonylContact C-O 3.51Å; V297-V358 VanDerWaalsContact CA-O 3.32Å; V297-V358 WeakPolarHBondContact CA-O 3.45Å; M298-V358 HydrophobicContact CB-CB 4.25Å; M298-V358 PolarHBondContact N-O 3.27Å; M298-V358 PolarHBondContact O-N 2.61Å; I300-V358 HydrophobicContact CD1-CG2 4.23Å; V318-V358 CarbonylContact O-C 3.46Å; V318-V358 VanDerWaalsContact O-CA 3.29Å; V318-V358 WeakPolarHBondContact O-CA 3.25Å; M333-V358 HydrophobicContact CE-CG1 3.81Å; M333-V358 HydrophobicContact SD-CG1 3.29Å; M333-V358 WeakPolarHBondContact SD-CG1 3.47Å; F336-V358 HydrophobicContact CE1-CG1 4.32Å; F336-V358 HydrophobicContact CE1-CG2 3.81Å; L337-V358 HydrophobicContact CD2-CB 4.36Å; L337-V358 HydrophobicContact CD2-CG1 4.02Å; L337-V358 HydrophobicContact CD2-CG2 4.32Å; F356-V358 HydrophobicContact CB-CG2 4.13Å; V358-P360 WeakPolarHBondContact O-CD 3.2Å
359	V	98.9	Very high	97.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	94.1	172	-175.1	0	0	0	0	108.3	L286 V295 V297 V318 T319 A320 M361 L362 M402	L286-V359 HydrophobicContact CD2-CG1 4.39Å; L286-V359 HydrophobicContact CD2-CG2 3.98Å; V295-V359 HydrophobicContact CG1-CG1 3.79Å; V297-V359 HydrophobicContact CB-CG2 4.36Å; V297-V359 HydrophobicContact CG2-CG2 4.25Å; V318-V359 PolarHBondContact O-N 3.26Å; T319-V359 CarbonylContact C-O 3.46Å; T319-V359 WeakPolarHBondContact CA-O 3.46Å; T319-V359 HydrophobicContact CG2-CB 4.01Å; T319-V359 HydrophobicContact CG2-CG2 4.31Å; A320-V359 PolarHBondContact N-O 3.06Å; V359-M361 VanDerWaalsContact C-N 3.26Å; V359-M361 PolarHBondContact O-N 3Å; V359-L362 HydrophobicContact CB-CD2 4.43Å; V359-L362 HydrophobicContact CG1-CD2 3.71Å; V359-L362 HydrophobicContact CG1-CG 4.01Å; V359-M402 HydrophobicContact CG2-CE 4.37Å
360	P	98.8	Very high	97.7	Very high	4 Å²	4	12.6 Å²	12.6	3%	0.026	6%	0.064	C	C	.	.	S	Bend	trans	-70.8	-19.4	-168.9	25.9	-34.7	0	0	0	114.3	L264 M333 L337 V358	L264-P360 HydrophobicContact CD1-CB 3.79Å; L264-P360 HydrophobicContact CD1-CG 3.8Å; L264-P360 HydrophobicContact CD2-CB 4.35Å; L264-P360 HydrophobicContact CD2-CG 4.06Å; M333-P360 HydrophobicContact CG-CB 3.76Å; M333-P360 HydrophobicContact SD-CB 4.42Å; L337-P360 HydrophobicContact CD1-CB 4.42Å; V358-P360 WeakPolarHBondContact O-CD 3.2Å
361	M	98.8	Very high	97.7	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.02	6%	0.064	C	C	.	.			trans	-151.5	108.2	176.5	-174.7	178.1	-65.3	0	0	111.4	Y259 Y261 L264 A320 R321 V359 P364 V367	Y259-M361 HydrophobicContact CD1-CE 4.26Å; Y261-M361 HydrophobicContact CD2-SD 3.72Å; Y261-M361 HydrophobicContact CG-SD 4.34Å; L264-M361 HydrophobicContact CB-CE 4.27Å; L264-M361 HydrophobicContact CD2-CB 3.51Å; L264-M361 HydrophobicContact CD2-CE 4.1Å; L264-M361 HydrophobicContact CD2-CG 4.49Å; L264-M361 HydrophobicContact CD2-SD 4.29Å; A320-M361 WeakPolarHBondContact O-CA 3.31Å; R321-M361 HydrophobicContact CB-CB 4.39Å; R321-M361 HydrophobicContact CB-CG 3.93Å; V359-M361 VanDerWaalsContact C-N 3.26Å; V359-M361 PolarHBondContact O-N 3Å; M361-P364 HydrophobicContact SD-CB 4.13Å; M361-V367 HydrophobicContact CE-CG1 4.12Å; M361-V367 HydrophobicContact CE-CG2 4.28Å; M361-V367 HydrophobicContact CG-CG2 4.29Å; M361-V367 HydrophobicContact SD-CB 3.99Å; M361-V367 HydrophobicContact SD-CG1 4.07Å; M361-V367 HydrophobicContact SD-CG2 3.8Å
362	L	98.8	Very high	97.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	-78.6	-28	-180	-80.3	168.3	0	0	0	113.7	T319 A320 V322 V359 P364 Y385 C395 T399	T319-L362 HydrophobicContact CG2-CD1 4.32Å; A320-L362 PolarHBondContact O-N 3.35Å; V322-L362 HydrophobicContact CB-CB 4.09Å; V322-L362 HydrophobicContact CB-CD1 3.78Å; V322-L362 HydrophobicContact CG2-CB 4.43Å; V322-L362 HydrophobicContact CG2-CD1 4.21Å; V359-L362 HydrophobicContact CB-CD2 4.43Å; V359-L362 HydrophobicContact CG1-CD2 3.71Å; V359-L362 HydrophobicContact CG1-CG 4.01Å; L362-P364 WeakPolarHBondContact O-CD 3.45Å; L362-Y385 WeakPolarHBondContact CD1-OH 3.46Å; L362-C395 WeakPolarHBondContact O-CB 3.49Å; L362-C395 PolarHBondContact O-SG 2.77Å; L362-T399 HydrophobicContact CD2-CG2 4.46Å; L362-T399 VanDerWaalsContact CD2-OG1 3.28Å; L362-T399 WeakPolarHBondContact CD2-OG1 3.49Å
363	N	98.8	Very high	97.8	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.046	C	C	.	.			trans	-122.5	61.7	-174.8	-163.4	-10.9	0	0	0	113	R321 V322 P324 D365 G366 V367 C374 S375 L381	R321-N363 WeakPolarHBondContact O-CB 3.28Å; R321-N363 PolarHBondContact O-N 3.46Å; V322-N363 VanDerWaalsContact O-CB 3.32Å; V322-N363 WeakPolarHBondContact O-CB 3.45Å; V322-N363 PolarHBondContact O-ND2 3.42Å; P324-N363 WeakPolarHBondContact CD-ND2 3.47Å; P324-N363 HydrophobicContact CG-CB 4.13Å; P324-N363 VanDerWaalsContact CG-ND2 3.28Å; P324-N363 WeakPolarHBondContact CG-ND2 3.46Å; N363-D365 PolarHBondContact O-N 3.12Å; N363-G366 PolarHBondContact O-N 3.04Å; N363-G366 PolarHBondContact OD1-N 2.85Å; N363-G366 VanDerWaalsContact OD1-N 3.1Å; N363-V367 WeakPolarHBondContact O-CG2 3.48Å; N363-V367 PolarHBondContact O-N 3.15Å; N363-V367 VanDerWaalsContact O-N 3.15Å; N363-C374 PolarHBondContact ND2-O 3.25Å; N363-S375 PolarHBondContact ND2-N 2.85Å; N363-L381 HydrophobicContact CB-CD1 3.74Å
364	P	98.8	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59.3	-35.8	-177.9	25.8	-34.9	0	0	0	112.5	Y261 N293 V295 M361 L362 V367 V368	Y261-P364 HydrophobicContact CD2-CB 3.6Å; Y261-P364 HydrophobicContact CE2-CB 3.64Å; Y261-P364 HydrophobicContact CG-CB 4.08Å; N293-P364 HydrophobicContact CB-CB 4.02Å; N293-P364 HydrophobicContact CB-CG 4Å; V295-P364 HydrophobicContact CG2-CG 4.01Å; M361-P364 HydrophobicContact SD-CB 4.13Å; L362-P364 WeakPolarHBondContact O-CD 3.45Å; P364-V367 WeakPolarHBondContact O-CB 3.43Å; P364-V367 PolarHBondContact O-N 3.02Å; P364-V368 VanDerWaalsContact O-CG2 3.26Å; P364-V368 WeakPolarHBondContact O-CG2 3.33Å; P364-V368 PolarHBondContact O-N 2.86Å
365	D	98.4	Very high	97.9	Very high	3 Å²	3	4.6 Å²	4.6	2%	0.016	2%	0.022	C	C	.	.	H	α-helix	trans	-62.7	-49.3	179.9	-60.2	-25.3	0	0	0	112.7	S289 L290 G291 N293 N363 V367 V368 V369 L376	S289-D365 WeakPolarHBondContact CB-OD1 3.49Å; S289-D365 WeakPolarHBondContact CB-OD2 3.29Å; S289-D365 PolarHBondContact OG-OD1 2.76Å; S289-D365 PolarHBondContact OG-OD2 2.71Å; L290-D365 PolarHBondContact N-OD2 2.95Å; G291-D365 WeakPolarHBondContact CA-OD2 3.48Å; G291-D365 PolarHBondContact N-OD2 2.79Å; N293-D365 WeakPolarHBondContact CB-OD1 3.39Å; N293-D365 PolarHBondContact ND2-OD1 3.29Å; N363-D365 PolarHBondContact O-N 3.12Å; D365-V367 PolarHBondContact O-N 2.94Å; D365-V368 PolarHBondContact O-N 3.37Å; D365-V369 WeakPolarHBondContact O-CG2 3.48Å; D365-V369 PolarHBondContact O-N 3.47Å; D365-V369 VanDerWaalsContact O-N 3.11Å; D365-L376 HydrophobicContact CB-CD1 3.6Å; D365-L376 HydrophobicContact CB-CD2 4.27Å; D365-L376 HydrophobicContact CB-CG 3.54Å
366	G	98.3	Very high	97.8	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-63	-32.3	178	0	0	0	0	0	111.8	P324 N363 G370 N371	P324-G366 WeakPolarHBondContact CB-O 3.3Å; P324-G366 VanDerWaalsContact CG-CA 3.48Å; N363-G366 PolarHBondContact O-N 3.04Å; N363-G366 PolarHBondContact OD1-N 2.85Å; N363-G366 VanDerWaalsContact OD1-N 3.1Å; G366-G370 PolarHBondContact O-N 3.25Å; G366-N371 PolarHBondContact O-N 3.14Å
367	V	98.7	Very high	97.6	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.006	2%	0.021	C	C	.	.	H	α-helix	trans	-67.1	-45.8	175.5	171	0	0	0	0	110.8	S129 P324 M361 N363 P364 D365 V369 G370	S129-V367 WeakPolarHBondContact CA-O 3.29Å; S129-V367 WeakPolarHBondContact CB-O 3.09Å; S129-V367 PolarHBondContact N-O 3.35Å; S129-V367 PolarHBondContact OG-O 3.22Å; P324-V367 HydrophobicContact CB-CG2 3.96Å; M361-V367 HydrophobicContact CE-CG1 4.12Å; M361-V367 HydrophobicContact CE-CG2 4.28Å; M361-V367 HydrophobicContact CG-CG2 4.29Å; M361-V367 HydrophobicContact SD-CB 3.99Å; M361-V367 HydrophobicContact SD-CG1 4.07Å; M361-V367 HydrophobicContact SD-CG2 3.8Å; N363-V367 WeakPolarHBondContact O-CG2 3.48Å; N363-V367 PolarHBondContact O-N 3.15Å; N363-V367 VanDerWaalsContact O-N 3.15Å; P364-V367 WeakPolarHBondContact O-CB 3.43Å; P364-V367 PolarHBondContact O-N 3.02Å; D365-V367 PolarHBondContact O-N 2.94Å; V367-V369 VanDerWaalsContact C-N 3.34Å; V367-V369 PolarHBondContact O-N 2.77Å; V367-G370 PolarHBondContact O-N 3.18Å
368	V	97.9	Very high	97.4	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-57.8	-48.8	179.5	167.5	0	0	0	0	110.2	P37 W39 E128 S129 Y261 P364 D365 G370	P37-V368 HydrophobicContact CB-CG1 4.2Å; P37-V368 HydrophobicContact CB-CG2 3.8Å; W39-V368 HydrophobicContact CD2-CG1 3.37Å; W39-V368 HydrophobicContact CE3-CG1 3.79Å; W39-V368 HydrophobicContact CG-CG1 3.87Å; W39-V368 HydrophobicContact CH2-CG1 3.94Å; W39-V368 WeakPolarHBondContact CH2-O 3.41Å; W39-V368 HydrophobicContact CZ2-CG1 3.55Å; W39-V368 HydrophobicContact CZ3-CG1 4.05Å; W39-V368 VanDerWaalsContact CZ3-O 3.3Å; W39-V368 WeakPolarHBondContact CZ3-O 3.42Å; E128-V368 HydrophobicContact CG-CG2 4.49Å; S129-V368 PolarHBondContact N-O 3.19Å; Y261-V368 HydrophobicContact CD1-CG2 4.1Å; Y261-V368 HydrophobicContact CG-CG2 4.36Å; P364-V368 VanDerWaalsContact O-CG2 3.26Å; P364-V368 WeakPolarHBondContact O-CG2 3.33Å; P364-V368 PolarHBondContact O-N 2.86Å; D365-V368 PolarHBondContact O-N 3.37Å; V368-G370 VanDerWaalsContact C-N 3.33Å; V368-G370 PolarHBondContact O-N 3.01Å
369	V	96.7	Very high	97.2	Very high	2 Å²	2	4.1 Å²	4.1	1%	0.012	2%	0.021	C	C	.	.	H	α-helix	trans	-80.6	-8.5	-175.6	-56.1	0	0	0	0	114.6	W39 P40 R148 L151 D365 V367 N371 L376	W39-V369 HydrophobicContact CE3-CG1 4.07Å; W39-V369 HydrophobicContact CZ3-CG1 4.38Å; P40-V369 HydrophobicContact CG-CG1 4.01Å; R148-V369 PolarHBondContact NH1-O 3.35Å; R148-V369 PolarHBondContact NH2-O 3.25Å; L151-V369 HydrophobicContact CD1-CB 3.74Å; L151-V369 HydrophobicContact CD1-CG1 3.82Å; L151-V369 HydrophobicContact CD1-CG2 3.83Å; L151-V369 HydrophobicContact CG-CB 4.46Å; L151-V369 HydrophobicContact CG-CG2 4.2Å; D365-V369 WeakPolarHBondContact O-CG2 3.48Å; D365-V369 PolarHBondContact O-N 3.47Å; D365-V369 VanDerWaalsContact O-N 3.11Å; V367-V369 VanDerWaalsContact C-N 3.34Å; V367-V369 PolarHBondContact O-N 2.77Å; V369-N371 HydrophobicContact CG2-CB 4.3Å; V369-N371 WeakPolarHBondContact CG2-OD1 3.33Å; V369-L376 HydrophobicContact CG1-CD2 4.19Å; V369-L376 HydrophobicContact CG2-CD2 4.12Å
370	G	97.2	Very high	97	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.01	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	33.1	-178.2	0	0	0	0	0	114.3	N131 R148 G366 V367 V368	N131-G370 WeakPolarHBondContact CB-O 3.36Å; N131-G370 PolarHBondContact ND2-O 2.94Å; N131-G370 VanDerWaalsContact ND2-O 3.14Å; R148-G370 PolarHBondContact NH2-O 3.31Å; G366-G370 PolarHBondContact O-N 3.25Å; V367-G370 PolarHBondContact O-N 3.18Å; V368-G370 VanDerWaalsContact C-N 3.33Å; V368-G370 PolarHBondContact O-N 3.01Å
371	N	97.5	Very high	96.9	Very high	1 Å²	1	4 Å²	4	1%	0.005	2%	0.02	C	C	.	.			trans	-69	162.9	168.3	-78.2	1.9	0	0	0	110.8	D150 L151 P324 G325 G366 V369 C374	D150-N371 WeakPolarHBondContact CA-OD1 3.31Å; D150-N371 HydrophobicContact CB-CB 4.28Å; D150-N371 VanDerWaalsContact OD1-CA 3.25Å; D150-N371 WeakPolarHBondContact OD1-CA 3.35Å; D150-N371 WeakPolarHBondContact OD1-CB 3.25Å; L151-N371 PolarHBondContact N-OD1 3.23Å; P324-N371 HydrophobicContact CB-CB 4.24Å; P324-N371 WeakPolarHBondContact CB-O 3.07Å; P324-N371 HydrophobicContact CG-CB 4.11Å; G325-N371 PolarHBondContact N-O 3.19Å; G366-N371 PolarHBondContact O-N 3.14Å; V369-N371 HydrophobicContact CG2-CB 4.3Å; V369-N371 WeakPolarHBondContact CG2-OD1 3.33Å; N371-C374 PolarHBondContact ND2-O 3.04Å; N371-C374 VanDerWaalsContact ND2-O 3.12Å
372	Y	96	Very high	96.7	Very high	4 Å²	4	4.2 Å²	4.2	2%	0.016	2%	0.021	C	C	.	.	S	Bend	trans	-95	-44.1	170.5	177.7	-114.9	0	0	0	112.3	D150 H156 Q158 W159 K182 G325 F494	D150-Y372 PolarHBondContact OD1-N 3.02Å; H156-Y372 HydrophobicContact CB-CD1 4.49Å; Q158-Y372 HydrophobicContact CB-CD1 3.78Å; Q158-Y372 HydrophobicContact CB-CD2 3.76Å; Q158-Y372 HydrophobicContact CB-CE1 3.82Å; Q158-Y372 HydrophobicContact CB-CE2 3.82Å; Q158-Y372 HydrophobicContact CB-CG 3.76Å; Q158-Y372 HydrophobicContact CG-CD2 4.26Å; Q158-Y372 HydrophobicContact CG-CE1 4.33Å; Q158-Y372 HydrophobicContact CG-CE2 3.87Å; W159-Y372 HydrophobicContact CB-CD2 3.97Å; W159-Y372 HydrophobicContact CB-CG 4.41Å; K182-Y372 PolarHBondContact NZ-OH 2.91Å; G325-Y372 PolarHBondContact N-O 3.42Å; Y372-F494 HydrophobicContact CE2-CZ 4.43Å
373	R	95.6	Very high	96.5	Very high	7 Å²	7	5.1 Å²	5.1	3%	0.026	3%	0.025	C	C	.	.	S	Bend	trans	-126.8	-48.2	-164	-167.5	76.1	-173.7	155.9	12.3	114.1	D150 H156 H323 P324 E326 D380	D150-R373 VanDerWaalsContact OD2-CA 3.31Å; D150-R373 WeakPolarHBondContact OD2-CA 3.44Å; D150-R373 WeakPolarHBondContact OD2-CB 3.38Å; D150-R373 PolarHBondContact OD2-N 3.28Å; H156-R373 HydrophobicContact CB-CB 3.86Å; H323-R373 PolarHBondContact CD2-NH1 3.32Å; H323-R373 PolarHBondContact CE1-NH1 3.03Å; H323-R373 PolarHBondContact CE1-NH2 3.32Å; H323-R373 PolarHBondContact ND1-NH1 3.3Å; H323-R373 PolarHBondContact NE2-NH1 3.17Å; H323-R373 PolarHBondContact NE2-NH2 3.45Å; P324-R373 WeakPolarHBondContact CD-O 3.46Å; E326-R373 IonicContact OE1-NH1 3.25Å; E326-R373 PolarHBondContact OE1-NH1 3Å; E326-R373 VanDerWaalsContact OE1-NH1 3.1Å; R373-D380 IonicContact CZ-OD2 3.04Å; R373-D380 IonicContact NE-OD2 3.63Å; R373-D380 PolarHBondContact NE-OD2 2.99Å; R373-D380 IonicContact NH2-OD1 2.88Å; R373-D380 IonicContact NH2-OD2 3.35Å; R373-D380 PolarHBondContact NH2-OD2 2.96Å
374	C	96.1	Very high	96.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.			trans	-94.3	155.8	-165.4	-68.5	0	0	0	0	113.5	D150 H156 N363 N371 R379	D150-C374 HydrophobicContact CB-CB 4.12Å; D150-C374 PolarHBondContact OD2-N 3.37Å; H156-C374 PolarHBondContact CD2-SG 2.89Å; N363-C374 PolarHBondContact ND2-O 3.25Å; N371-C374 PolarHBondContact ND2-O 3.04Å; N371-C374 VanDerWaalsContact ND2-O 3.12Å; C374-R379 WeakPolarHBondContact CA-O 3.45Å; C374-R379 VanDerWaalsContact SG-C 3.59Å
375	S	96.4	Very high	96.2	Very high	5 Å²	5	6.2 Å²	6.2	4%	0.035	3%	0.031	C	C	.	.			trans	-78.3	178	162	64.1	0	0	0	0	111	N363 A377 G378 R379	N363-S375 PolarHBondContact ND2-N 2.85Å; S375-A377 PolarHBondContact O-N 3.09Å; S375-A377 VanDerWaalsContact O-N 3.09Å; S375-A377 PolarHBondContact OG-N 3.27Å; S375-G378 PolarHBondContact O-N 2.95Å; S375-R379 PolarHBondContact N-O 3.14Å; S375-R379 VanDerWaalsContact N-O 3.1Å; S375-R379 PolarHBondContact OG-O 3.47Å
376	L	95.9	Very high	95.9	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.016	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-6.6	174	-56.5	-179.7	0	0	0	113.8	P40 F95 L151 Y152 L290 D365 V369 G378	P40-L376 HydrophobicContact CG-CD1 4.13Å; P40-L376 HydrophobicContact CG-CD2 4.08Å; F95-L376 HydrophobicContact CB-CB 4.14Å; F95-L376 WeakPolarHBondContact CB-O 2.98Å; F95-L376 HydrophobicContact CD2-CB 4.1Å; F95-L376 HydrophobicContact CD2-CD1 3.74Å; F95-L376 HydrophobicContact CD2-CG 4.47Å; F95-L376 HydrophobicContact CE2-CD1 3.71Å; F95-L376 HydrophobicContact CG-CB 4.09Å; F95-L376 HydrophobicContact CG-CD1 4.43Å; F95-L376 HydrophobicContact CZ-CD1 4.39Å; L151-L376 HydrophobicContact CD1-CD2 4.26Å; Y152-L376 HydrophobicContact CD2-CB 4.28Å; Y152-L376 WeakPolarHBondContact CD2-O 3.48Å; Y152-L376 HydrophobicContact CE2-CB 3.99Å; Y152-L376 HydrophobicContact CE2-CD2 3.91Å; Y152-L376 HydrophobicContact CE2-CG 4.44Å; L290-L376 HydrophobicContact CD2-CB 4.14Å; D365-L376 HydrophobicContact CB-CD1 3.6Å; D365-L376 HydrophobicContact CB-CD2 4.27Å; D365-L376 HydrophobicContact CB-CG 3.54Å; V369-L376 HydrophobicContact CG1-CD2 4.19Å; V369-L376 HydrophobicContact CG2-CD2 4.12Å; L376-G378 PolarHBondContact O-N 3.08Å
377	A	95.1	Very high	95.6	Very high	7 Å²	7	11 Å²	11	6%	0.058	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-3.1	167.3	0	0	0	0	0	112.8	L290 S375 R379 F393 P584	L290-A377 HydrophobicContact CD2-CB 4.06Å; S375-A377 PolarHBondContact O-N 3.09Å; S375-A377 VanDerWaalsContact O-N 3.09Å; S375-A377 PolarHBondContact OG-N 3.27Å; A377-R379 PolarHBondContact O-N 2.82Å; A377-F393 HydrophobicContact CB-CD1 4.46Å; A377-F393 HydrophobicContact CB-CE1 3.87Å; A377-F393 HydrophobicContact CB-CZ 4.47Å; A377-P584 HydrophobicContact CB-CG 4.32Å
378	G	93.6	Very high	95.3	Very high	4 Å²	4	18.1 Å²	18.1	4%	0.041	9%	0.09	C	C	.	.	S	Bend	trans	69.7	17.4	-174	0	0	0	0	0	113.1	S375 L376	S375-G378 PolarHBondContact O-N 2.95Å; L376-G378 PolarHBondContact O-N 3.08Å
379	R	94.2	Very high	95.1	Very high	40 Å²	40	20.9 Å²	20.9	15%	0.151	10%	0.104	C	C	.	.	S	Bend	trans	-132.5	151.6	-172.2	-61.1	-65.1	-178.7	-166.9	0.8	112	C374 S375 A377 L381 F393 S580 G582 L583	C374-R379 WeakPolarHBondContact CA-O 3.45Å; C374-R379 VanDerWaalsContact SG-C 3.59Å; S375-R379 PolarHBondContact N-O 3.14Å; S375-R379 VanDerWaalsContact N-O 3.1Å; S375-R379 PolarHBondContact OG-O 3.47Å; A377-R379 PolarHBondContact O-N 2.82Å; R379-L381 PolarHBondContact O-N 3.4Å; R379-F393 HydrophobicContact CB-CE1 3.91Å; R379-F393 HydrophobicContact CB-CZ 4.12Å; R379-F393 HydrophobicContact CG-CZ 4.34Å; R379-S580 WeakPolarHBondContact CD-O 3.17Å; R379-G582 WeakPolarHBondContact CD-O 3.04Å; R379-G582 PolarHBondContact NE-O 2.98Å; R379-L583 VanDerWaalsContact CZ-O 3.26Å; R379-L583 PolarHBondContact NE-O 3.35Å; R379-L583 PolarHBondContact NH2-O 3.25Å
380	D	95	Very high	95.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.			trans	-73.1	114	177.2	-175.2	-21.7	0	0	0	110.3	H323 R373 N382 R383 N384 S577	H323-D380 IonicContact CD2-OD1 3.9Å; H323-D380 IonicContact NE2-OD1 2.61Å; H323-D380 PolarHBondContact NE2-OD1 2.91Å; H323-D380 IonicContact NE2-OD2 3.36Å; R373-D380 IonicContact CZ-OD2 3.04Å; R373-D380 IonicContact NE-OD2 3.63Å; R373-D380 PolarHBondContact NE-OD2 2.99Å; R373-D380 IonicContact NH2-OD1 2.88Å; R373-D380 IonicContact NH2-OD2 3.35Å; R373-D380 PolarHBondContact NH2-OD2 2.96Å; D380-N382 PolarHBondContact O-N 2.88Å; D380-N382 WeakPolarHBondContact OD1-CA 3.06Å; D380-N382 WeakPolarHBondContact OD1-CB 3.39Å; D380-N382 PolarHBondContact OD1-N 2.81Å; D380-R383 HydrophobicContact CB-CG 4.13Å; D380-R383 PolarHBondContact O-N 2.83Å; D380-R383 VanDerWaalsContact O-N 3.09Å; D380-R383 IonicContact OD2-NH1 3.98Å; D380-N384 PolarHBondContact O-ND2 3.3Å; D380-S577 PolarHBondContact OD2-OG 2.79Å; D380-S577 VanDerWaalsContact OD2-OG 3.12Å
381	L	96.4	Very high	94.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60.8	-33.1	178.8	-70.9	-175.7	0	0	0	112.3	V322 N363 R379 R383 N384 F393 C395 V396	V322-L381 HydrophobicContact CG2-CB 3.42Å; V322-L381 VanDerWaalsContact CG2-CB 3.42Å; V322-L381 HydrophobicContact CG2-CD1 4.37Å; N363-L381 HydrophobicContact CB-CD1 3.74Å; R379-L381 PolarHBondContact O-N 3.4Å; L381-R383 PolarHBondContact O-N 3.35Å; L381-R383 VanDerWaalsContact O-N 3.12Å; L381-N384 PolarHBondContact O-N 3.02Å; L381-F393 HydrophobicContact CD2-CD1 3.75Å; L381-C395 HydrophobicContact CD1-CB 4.48Å; L381-V396 HydrophobicContact CB-CG1 3.94Å
382	N	96.3	Very high	94.7	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-80.1	16.4	178.2	-160.3	24.7	0	0	0	113	V322 H323 D380 H419 T474 G475	V322-N382 HydrophobicContact CG1-CB 3.96Å; V322-N382 HydrophobicContact CG2-CB 4Å; H323-N382 VanDerWaalsContact NE2-CB 3.3Å; H323-N382 WeakPolarHBondContact NE2-CB 3.29Å; D380-N382 PolarHBondContact O-N 2.88Å; D380-N382 WeakPolarHBondContact OD1-CA 3.06Å; D380-N382 WeakPolarHBondContact OD1-CB 3.39Å; D380-N382 PolarHBondContact OD1-N 2.81Å; N382-H419 PolarHBondContact ND2-CE1 3.24Å; N382-H419 VanDerWaalsContact ND2-CE1 3.25Å; N382-T474 VanDerWaalsContact O-CA 3.25Å; N382-T474 WeakPolarHBondContact O-CA 3.45Å; N382-T474 WeakPolarHBondContact O-CG2 3.49Å; N382-T474 WeakPolarHBondContact OD1-CA 3.26Å; N382-T474 WeakPolarHBondContact OD1-CB 3.47Å; N382-G475 PolarHBondContact OD1-N 2.84Å
383	R	94	Very high	94.8	Very high	20 Å²	20	31.5 Å²	31.5	8%	0.075	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-112.7	-6.7	161.1	-64.3	-65.4	174	-72.3	-9.1	112.7	D380 L381 S470 G473 S577 D581	D380-R383 HydrophobicContact CB-CG 4.13Å; D380-R383 PolarHBondContact O-N 2.83Å; D380-R383 VanDerWaalsContact O-N 3.09Å; D380-R383 IonicContact OD2-NH1 3.98Å; L381-R383 PolarHBondContact O-N 3.35Å; L381-R383 VanDerWaalsContact O-N 3.12Å; R383-S470 WeakPolarHBondContact CD-O 3.41Å; R383-S470 PolarHBondContact NE-O 3.31Å; R383-G473 CarbonylContact C-O 3.59Å; R383-G473 VanDerWaalsContact C-O 3.24Å; R383-G473 WeakPolarHBondContact O-CA 3.35Å; R383-S577 PolarHBondContact NE-OG 3.37Å; R383-S577 PolarHBondContact NH2-OG 2.69Å; R383-D581 WeakPolarHBondContact CB-OD1 3.41Å; R383-D581 VanDerWaalsContact CG-OD1 3.3Å; R383-D581 WeakPolarHBondContact CG-OD1 3.42Å
384	N	94.1	Very high	94.9	Very high	24 Å²	24	31.8 Å²	31.8	13%	0.128	16%	0.16	C	C	.	.			trans	-115.2	17.7	-167.1	-75.1	-75.6	0	0	0	113.6	D380 L381 K386 T387 F393 V396	D380-N384 PolarHBondContact O-ND2 3.3Å; L381-N384 PolarHBondContact O-N 3.02Å; N384-K386 PolarHBondContact O-N 3.01Å; N384-T387 WeakPolarHBondContact O-CB 3.25Å; N384-T387 WeakPolarHBondContact O-CG2 3.1Å; N384-T387 PolarHBondContact O-N 2.82Å; N384-F393 HydrophobicContact CB-CD1 4.07Å; N384-F393 HydrophobicContact CB-CD2 4.26Å; N384-F393 HydrophobicContact CB-CE1 4.22Å; N384-F393 HydrophobicContact CB-CE2 4.4Å; N384-F393 HydrophobicContact CB-CG 4.07Å; N384-F393 HydrophobicContact CB-CZ 4.37Å; N384-V396 HydrophobicContact CB-CG2 4.47Å
385	Y	96	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.7	175.3	-83.8	-99.5	0	0	0	113.1	V322 L362 T387 V396 T399 R400 Y415 G473 G475 M479	V322-Y385 HydrophobicContact CG2-CE2 4.43Å; L362-Y385 WeakPolarHBondContact CD1-OH 3.46Å; Y385-T387 VanDerWaalsContact C-N 3.29Å; Y385-V396 HydrophobicContact CD1-CB 4.09Å; Y385-V396 HydrophobicContact CD1-CG1 4.46Å; Y385-V396 HydrophobicContact CD2-CB 4.19Å; Y385-V396 HydrophobicContact CD2-CG1 4.01Å; Y385-V396 HydrophobicContact CE1-CB 4.13Å; Y385-V396 HydrophobicContact CE1-CG1 4.13Å; Y385-V396 HydrophobicContact CE2-CB 4.25Å; Y385-V396 HydrophobicContact CE2-CG1 3.65Å; Y385-V396 HydrophobicContact CG-CB 4.13Å; Y385-V396 HydrophobicContact CG-CG1 4.42Å; Y385-T399 HydrophobicContact CE1-CG2 4.43Å; Y385-R400 WeakPolarHBondContact O-CD 3.48Å; Y385-R400 PolarHBondContact O-NH1 3.35Å; Y385-Y415 PolarHBondContact OH-OH 2.86Å; Y385-G473 WeakPolarHBondContact CB-O 3.45Å; Y385-G473 PolarHBondContact N-O 3.15Å; Y385-G473 VanDerWaalsContact N-O 3.15Å; Y385-G475 VanDerWaalsContact CD2-CA 3.41Å; Y385-G475 VanDerWaalsContact CE2-CA 3.49Å; Y385-G475 VanDerWaalsContact CG-CA 3.45Å; Y385-M479 HydrophobicContact CD1-CE 4.05Å; Y385-M479 HydrophobicContact CE1-CE 3.93Å
386	K	92.8	Very high	95	Very high	88 Å²	88	31.8 Å²	31.8	38%	0.383	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.2	173.3	-67.3	-176.1	177.4	163.7	0	113.8	N384 R400 E472 V478	N384-K386 PolarHBondContact O-N 3.01Å; K386-R400 VanDerWaalsContact C-NH1 3.31Å; K386-R400 PolarHBondContact O-NH1 2.93Å; K386-E472 WeakPolarHBondContact CE-O 3.16Å; K386-E472 PolarHBondContact NZ-O 3.3Å; K386-E472 IonicContact NZ-OE2 2.63Å; K386-E472 PolarHBondContact NZ-OE2 3.25Å; K386-V478 HydrophobicContact CD-CG2 4.3Å; K386-V478 HydrophobicContact CG-CG2 3.49Å; K386-V478 VanDerWaalsContact CG-CG2 3.49Å
387	T	92.4	Very high	95.2	Very high	16 Å²	16	34.5 Å²	34.5	10%	0.098	17%	0.17	C	C	.	.			trans	-60	149.7	-171.8	-165.9	0	0	0	0	113.2	N384 Y385 L389 F393 V396 W397 R400	N384-T387 WeakPolarHBondContact O-CB 3.25Å; N384-T387 WeakPolarHBondContact O-CG2 3.1Å; N384-T387 PolarHBondContact O-N 2.82Å; Y385-T387 VanDerWaalsContact C-N 3.29Å; T387-L389 PolarHBondContact OG1-N 3.48Å; T387-F393 HydrophobicContact CG2-CB 3.71Å; T387-F393 HydrophobicContact CG2-CD2 3.99Å; T387-F393 HydrophobicContact CG2-CG 4.22Å; T387-F393 WeakPolarHBondContact OG1-CD2 3.39Å; T387-V396 HydrophobicContact CG2-CG2 4.49Å; T387-W397 HydrophobicContact CG2-CB 4.42Å; T387-R400 PolarHBondContact O-NH1 2.65Å
388	L	93	Very high	95.3	Very high	150 Å²	150	36 Å²	36	79%	0.785	18%	0.176	S	C	*	.			trans	-101.9	-10.2	166.5	-58.3	-180	0	0	0	111.6	K390	L388-K390 VanDerWaalsContact C-N 3.31Å; L388-K390 PolarHBondContact O-N 3.43Å
389	L	93.8	Very high	95.6	Very high	58 Å²	58	35.8 Å²	35.8	30%	0.304	17%	0.174	S	C	.	.			trans	-83.4	74.9	-178.5	-57.9	173.7	0	0	0	110	T387 D391 S392 F393 L583 L587	T387-L389 PolarHBondContact OG1-N 3.48Å; L389-D391 VanDerWaalsContact C-N 3.25Å; L389-D391 PolarHBondContact O-N 3.47Å; L389-S392 PolarHBondContact O-N 2.68Å; L389-F393 HydrophobicContact CB-CD2 4.03Å; L389-F393 HydrophobicContact CB-CE2 4.38Å; L389-F393 HydrophobicContact CD1-CE2 4.19Å; L389-F393 PolarHBondContact O-N 2.75Å; L389-L583 HydrophobicContact CD1-CD2 3.58Å; L389-L587 HydrophobicContact CD1-CD1 3.86Å; L389-L587 HydrophobicContact CD2-CD1 4.31Å
390	K	95.1	Very high	95.8	Very high	86 Å²	86	36 Å²	36	37%	0.374	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-42.8	-178.8	-179.8	-174.8	174.4	-163.1	0	112.2	L388 F393 P394 W397 H398	L388-K390 VanDerWaalsContact C-N 3.31Å; L388-K390 PolarHBondContact O-N 3.43Å; K390-F393 CarbonylContact O-C 3.6Å; K390-P394 WeakPolarHBondContact O-CA 3.21Å; K390-P394 WeakPolarHBondContact O-CB 3.42Å; K390-P394 WeakPolarHBondContact O-CD 3.48Å; K390-W397 HydrophobicContact CB-CD2 4.05Å; K390-W397 HydrophobicContact CB-CG 4.07Å; K390-W397 HydrophobicContact CD-CD2 4.23Å; K390-W397 HydrophobicContact CD-CE3 4.04Å; K390-W397 HydrophobicContact CD-CH2 4.18Å; K390-W397 HydrophobicContact CD-CZ2 4.31Å; K390-W397 HydrophobicContact CD-CZ3 4.03Å; K390-W397 HydrophobicContact CG-CD2 3.77Å; K390-W397 HydrophobicContact CG-CE3 3.83Å; K390-W397 HydrophobicContact CG-CG 4.12Å; K390-W397 HydrophobicContact CG-CZ3 4.34Å; K390-H398 WeakPolarHBondContact CE-NE2 3.38Å
391	D	93.3	Very high	95.9	Very high	133 Å²	133	36.7 Å²	36.7	71%	0.711	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-29.5	-173.9	-57.2	-32.8	0	0	0	112.6	L389	L389-D391 VanDerWaalsContact C-N 3.25Å; L389-D391 PolarHBondContact O-N 3.47Å
392	S	93.9	Very high	96	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-29.4	175.5	-48.8	0	0	0	0	113.1	L389 P394	L389-S392 PolarHBondContact O-N 2.68Å; S392-P394 VanDerWaalsContact C-CD 3.41Å
393	F	96.8	Very high	96.1	Very high	3 Å²	3	37 Å²	37	1%	0.013	18%	0.181	C	C	.	.	S	Bend	trans	-132	52.4	-175.1	-56.7	-66	0	0	0	112.7	A377 R379 L381 N384 T387 L389 K390 C395 V396 W397 P584	A377-F393 HydrophobicContact CB-CD1 4.46Å; A377-F393 HydrophobicContact CB-CE1 3.87Å; A377-F393 HydrophobicContact CB-CZ 4.47Å; R379-F393 HydrophobicContact CB-CE1 3.91Å; R379-F393 HydrophobicContact CB-CZ 4.12Å; R379-F393 HydrophobicContact CG-CZ 4.34Å; L381-F393 HydrophobicContact CD2-CD1 3.75Å; N384-F393 HydrophobicContact CB-CD1 4.07Å; N384-F393 HydrophobicContact CB-CD2 4.26Å; N384-F393 HydrophobicContact CB-CE1 4.22Å; N384-F393 HydrophobicContact CB-CE2 4.4Å; N384-F393 HydrophobicContact CB-CG 4.07Å; N384-F393 HydrophobicContact CB-CZ 4.37Å; T387-F393 HydrophobicContact CG2-CB 3.71Å; T387-F393 HydrophobicContact CG2-CD2 3.99Å; T387-F393 HydrophobicContact CG2-CG 4.22Å; T387-F393 WeakPolarHBondContact OG1-CD2 3.39Å; L389-F393 HydrophobicContact CB-CD2 4.03Å; L389-F393 HydrophobicContact CB-CE2 4.38Å; L389-F393 HydrophobicContact CD1-CE2 4.19Å; L389-F393 PolarHBondContact O-N 2.75Å; K390-F393 CarbonylContact O-C 3.6Å; F393-C395 VanDerWaalsContact C-N 3.31Å; F393-C395 PolarHBondContact O-N 3.14Å; F393-V396 HydrophobicContact CB-CG2 3.94Å; F393-V396 PolarHBondContact O-N 3.07Å; F393-W397 WeakPolarHBondContact O-CB 3.37Å; F393-W397 PolarHBondContact O-N 3.1Å; F393-W397 VanDerWaalsContact O-N 3.14Å; F393-P584 HydrophobicContact CE2-CG 4.15Å; F393-P584 HydrophobicContact CZ-CG 3.88Å
394	P	97.8	Very high	96.3	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.084	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-40	-170.2	23.7	-34.5	0	0	0	112.1	Q288 K390 S392 V396 W397 H398	Q288-P394 VanDerWaalsContact O-CB 3.32Å; Q288-P394 WeakPolarHBondContact O-CB 3.36Å; Q288-P394 VanDerWaalsContact O-CG 3.29Å; Q288-P394 WeakPolarHBondContact O-CG 3.31Å; K390-P394 WeakPolarHBondContact O-CA 3.21Å; K390-P394 WeakPolarHBondContact O-CB 3.42Å; K390-P394 WeakPolarHBondContact O-CD 3.48Å; S392-P394 VanDerWaalsContact C-CD 3.41Å; P394-V396 PolarHBondContact O-N 2.9Å; P394-W397 PolarHBondContact O-N 2.89Å; P394-H398 VanDerWaalsContact O-CB 3.32Å; P394-H398 WeakPolarHBondContact O-CB 3.41Å; P394-H398 PolarHBondContact O-CD2 3.25Å; P394-H398 VanDerWaalsContact O-CD2 3.22Å; P394-H398 PolarHBondContact O-N 2.91Å
395	C	98.1	Very high	96.4	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.034	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-52.1	-175.4	-46.7	0	0	0	0	112.8	V295 L362 L381 F393 T399	V295-C395 HydrophobicContact CG2-CB 4.22Å; V295-C395 VanDerWaalsContact CG2-SG 3.57Å; L362-C395 WeakPolarHBondContact O-CB 3.49Å; L362-C395 PolarHBondContact O-SG 2.77Å; L381-C395 HydrophobicContact CD1-CB 4.48Å; F393-C395 VanDerWaalsContact C-N 3.31Å; F393-C395 PolarHBondContact O-N 3.14Å; C395-T399 WeakPolarHBondContact O-CB 3.26Å; C395-T399 PolarHBondContact O-N 3.05Å; C395-T399 VanDerWaalsContact O-N 3.09Å; C395-T399 PolarHBondContact O-OG1 3.27Å
396	V	98.2	Very high	96.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-79.1	-31.3	-177.2	-64.7	0	0	0	0	112.1	V322 L381 N384 Y385 T387 F393 P394 R400	V322-V396 HydrophobicContact CG2-CG1 4.42Å; L381-V396 HydrophobicContact CB-CG1 3.94Å; N384-V396 HydrophobicContact CB-CG2 4.47Å; Y385-V396 HydrophobicContact CD1-CB 4.09Å; Y385-V396 HydrophobicContact CD1-CG1 4.46Å; Y385-V396 HydrophobicContact CD2-CB 4.19Å; Y385-V396 HydrophobicContact CD2-CG1 4.01Å; Y385-V396 HydrophobicContact CE1-CB 4.13Å; Y385-V396 HydrophobicContact CE1-CG1 4.13Å; Y385-V396 HydrophobicContact CE2-CB 4.25Å; Y385-V396 HydrophobicContact CE2-CG1 3.65Å; Y385-V396 HydrophobicContact CG-CB 4.13Å; Y385-V396 HydrophobicContact CG-CG1 4.42Å; T387-V396 HydrophobicContact CG2-CG2 4.49Å; F393-V396 HydrophobicContact CB-CG2 3.94Å; F393-V396 PolarHBondContact O-N 3.07Å; P394-V396 PolarHBondContact O-N 2.9Å; V396-R400 WeakPolarHBondContact O-CB 3.45Å; V396-R400 PolarHBondContact O-N 2.75Å
397	W	98.4	Very high	96.6	Very high	59 Å²	59	45.6 Å²	45.6	22%	0.223	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-49.8	174.5	-171.7	100.4	0	0	0	111.2	T387 K390 F393 P394 T399 R400 S401	T387-W397 HydrophobicContact CG2-CB 4.42Å; K390-W397 HydrophobicContact CB-CD2 4.05Å; K390-W397 HydrophobicContact CB-CG 4.07Å; K390-W397 HydrophobicContact CD-CD2 4.23Å; K390-W397 HydrophobicContact CD-CE3 4.04Å; K390-W397 HydrophobicContact CD-CH2 4.18Å; K390-W397 HydrophobicContact CD-CZ2 4.31Å; K390-W397 HydrophobicContact CD-CZ3 4.03Å; K390-W397 HydrophobicContact CG-CD2 3.77Å; K390-W397 HydrophobicContact CG-CE3 3.83Å; K390-W397 HydrophobicContact CG-CG 4.12Å; K390-W397 HydrophobicContact CG-CZ3 4.34Å; F393-W397 WeakPolarHBondContact O-CB 3.37Å; F393-W397 PolarHBondContact O-N 3.1Å; F393-W397 VanDerWaalsContact O-N 3.14Å; P394-W397 PolarHBondContact O-N 2.89Å; W397-T399 VanDerWaalsContact C-N 3.34Å; W397-T399 PolarHBondContact O-N 2.77Å; W397-R400 PolarHBondContact O-N 3.23Å; W397-S401 WeakPolarHBondContact O-CB 2.97Å; W397-S401 PolarHBondContact O-N 3.45Å
398	H	98.6	Very high	96.7	Very high	39 Å²	39	49.1 Å²	49.1	18%	0.181	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-33.9	179.2	-80.4	-83.2	0	0	0	112.2	L286 C287 K390 P394 S401 M402	L286-H398 HydrophobicContact CD1-CB 4.19Å; L286-H398 HydrophobicContact CG-CB 4.01Å; C287-H398 HydrophobicContact CB-CB 4.01Å; C287-H398 VanDerWaalsContact CB-CD2 3.47Å; C287-H398 WeakPolarHBondContact CB-CD2 3.41Å; K390-H398 WeakPolarHBondContact CE-NE2 3.38Å; P394-H398 VanDerWaalsContact O-CB 3.32Å; P394-H398 WeakPolarHBondContact O-CB 3.41Å; P394-H398 PolarHBondContact O-CD2 3.25Å; P394-H398 VanDerWaalsContact O-CD2 3.22Å; P394-H398 PolarHBondContact O-N 2.91Å; H398-S401 PolarHBondContact O-N 3Å; H398-M402 WeakPolarHBondContact O-CB 3.34Å; H398-M402 PolarHBondContact O-N 3.33Å
399	T	98.6	Very high	96.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-50.1	171.7	-60.6	0	0	0	0	111.1	L286 T319 L362 Y385 C395 W397 S401 M402 V403 M479	L286-T399 WeakPolarHBondContact CD2-OG1 2.92Å; T319-T399 HydrophobicContact CG2-CG2 4.12Å; L362-T399 HydrophobicContact CD2-CG2 4.46Å; L362-T399 VanDerWaalsContact CD2-OG1 3.28Å; L362-T399 WeakPolarHBondContact CD2-OG1 3.49Å; Y385-T399 HydrophobicContact CE1-CG2 4.43Å; C395-T399 WeakPolarHBondContact O-CB 3.26Å; C395-T399 PolarHBondContact O-N 3.05Å; C395-T399 VanDerWaalsContact O-N 3.09Å; C395-T399 PolarHBondContact O-OG1 3.27Å; W397-T399 VanDerWaalsContact C-N 3.34Å; W397-T399 PolarHBondContact O-N 2.77Å; T399-S401 VanDerWaalsContact C-N 3.34Å; T399-S401 PolarHBondContact O-N 3Å; T399-M402 WeakPolarHBondContact O-CB 3.42Å; T399-M402 PolarHBondContact O-N 3.42Å; T399-V403 WeakPolarHBondContact O-CG2 3.37Å; T399-V403 PolarHBondContact O-N 2.76Å; T399-M479 HydrophobicContact CG2-CE 4.2Å
400	R	98.3	Very high	96.6	Very high	44 Å²	44	47.3 Å²	47.3	17%	0.166	24%	0.236	C	C	.	.	H	α-helix	trans	-56.9	-48.1	175.8	-173.6	-174.7	76.5	-154.4	6.9	111.5	Y385 K386 T387 V396 W397 M402 V403 E404 V478 M482	Y385-R400 WeakPolarHBondContact O-CD 3.48Å; Y385-R400 PolarHBondContact O-NH1 3.35Å; K386-R400 VanDerWaalsContact C-NH1 3.31Å; K386-R400 PolarHBondContact O-NH1 2.93Å; T387-R400 PolarHBondContact O-NH1 2.65Å; V396-R400 WeakPolarHBondContact O-CB 3.45Å; V396-R400 PolarHBondContact O-N 2.75Å; W397-R400 PolarHBondContact O-N 3.23Å; R400-M402 VanDerWaalsContact C-N 3.31Å; R400-M402 PolarHBondContact O-N 2.81Å; R400-V403 PolarHBondContact O-N 3.37Å; R400-E404 WeakPolarHBondContact O-CB 3.05Å; R400-E404 PolarHBondContact O-N 2.84Å; R400-V478 HydrophobicContact CG-CG1 4.37Å; R400-M482 HydrophobicContact CG-CE 4.28Å; R400-M482 HydrophobicContact CG-SD 3.74Å
401	S	98.3	Very high	96.6	Very high	14 Å²	14	48.3 Å²	48.3	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-35.4	-179.5	-173.5	0	0	0	0	112.8	W397 H398 T399 R405	W397-S401 WeakPolarHBondContact O-CB 2.97Å; W397-S401 PolarHBondContact O-N 3.45Å; H398-S401 PolarHBondContact O-N 3Å; T399-S401 VanDerWaalsContact C-N 3.34Å; T399-S401 PolarHBondContact O-N 3Å; S401-R405 PolarHBondContact O-N 2.85Å; S401-R405 PolarHBondContact O-NH1 3.08Å; S401-R405 PolarHBondContact OG-NH1 2.87Å
402	M	98.4	Very high	96.8	Very high	17 Å²	17	42.5 Å²	42.5	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-46.7	172.7	176.6	-163.4	71.2	0	0	111.4	L286 V297 V317 K357 V359 H398 T399 R400 R405 L406	L286-M402 HydrophobicContact CD1-CB 4.15Å; L286-M402 HydrophobicContact CD1-SD 4.15Å; V297-M402 HydrophobicContact CG2-SD 3.66Å; V317-M402 HydrophobicContact CG1-CE 4.32Å; K357-M402 HydrophobicContact CB-CE 4.07Å; K357-M402 HydrophobicContact CB-SD 4.36Å; K357-M402 HydrophobicContact CD-SD 4.48Å; V359-M402 HydrophobicContact CG2-CE 4.37Å; H398-M402 WeakPolarHBondContact O-CB 3.34Å; H398-M402 PolarHBondContact O-N 3.33Å; T399-M402 WeakPolarHBondContact O-CB 3.42Å; T399-M402 PolarHBondContact O-N 3.42Å; R400-M402 VanDerWaalsContact C-N 3.31Å; R400-M402 PolarHBondContact O-N 2.81Å; M402-R405 PolarHBondContact O-N 3.33Å; M402-L406 WeakPolarHBondContact O-CB 3.18Å; M402-L406 PolarHBondContact O-N 3.18Å
403	V	98.6	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-42	179.3	175.9	0	0	0	0	110.9	V317 T399 R400 R405 L406 M407 M479 M482 I484	V317-V403 HydrophobicContact CG1-CG2 3.89Å; V317-V403 HydrophobicContact CG2-CG2 4.23Å; T399-V403 WeakPolarHBondContact O-CG2 3.37Å; T399-V403 PolarHBondContact O-N 2.76Å; R400-V403 PolarHBondContact O-N 3.37Å; V403-R405 PolarHBondContact O-N 3.31Å; V403-L406 WeakPolarHBondContact O-CB 3.42Å; V403-L406 PolarHBondContact O-N 3.21Å; V403-M407 HydrophobicContact CG1-CG 4.24Å; V403-M407 HydrophobicContact CG1-SD 3.98Å; V403-M407 VanDerWaalsContact O-CG 3.29Å; V403-M407 WeakPolarHBondContact O-CG 3.24Å; V403-M407 PolarHBondContact O-N 2.98Å; V403-M479 HydrophobicContact CB-CE 4.33Å; V403-M479 HydrophobicContact CB-SD 4.01Å; V403-M479 HydrophobicContact CG1-SD 3.8Å; V403-M479 HydrophobicContact CG2-CE 3.93Å; V403-M479 HydrophobicContact CG2-SD 4.11Å; V403-M482 HydrophobicContact CB-CE 4.48Å; V403-M482 HydrophobicContact CG1-CE 4.25Å; V403-I484 HydrophobicContact CG1-CD1 3.59Å
404	E	97.7	Very high	97	Very high	112 Å²	112	42.6 Å²	42.6	52%	0.523	21%	0.212	S	C	.	.	H	α-helix	trans	-57.8	-47	176.8	-172.4	172.8	-163	0	0	112.2	R400 M407 A408 M482	R400-E404 WeakPolarHBondContact O-CB 3.05Å; R400-E404 PolarHBondContact O-N 2.84Å; E404-M407 PolarHBondContact O-N 3.12Å; E404-A408 PolarHBondContact O-N 3.46Å; E404-M482 HydrophobicContact CB-CE 3.61Å; E404-M482 HydrophobicContact CG-CE 4.23Å
405	R	97.3	Very high	97.1	Very high	131 Å²	131	42 Å²	42	49%	0.494	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-43.2	174.7	-73.6	-170	-64.7	-82.6	-5.1	112.2	S401 M402 V403 M407 A408 E409	S401-R405 PolarHBondContact O-N 2.85Å; S401-R405 PolarHBondContact O-NH1 3.08Å; S401-R405 PolarHBondContact OG-NH1 2.87Å; M402-R405 PolarHBondContact O-N 3.33Å; V403-R405 PolarHBondContact O-N 3.31Å; R405-M407 VanDerWaalsContact C-N 3.3Å; R405-M407 PolarHBondContact O-N 3.11Å; R405-A408 WeakPolarHBondContact O-CB 3.5Å; R405-A408 PolarHBondContact O-N 3.36Å; R405-A408 VanDerWaalsContact O-N 3.14Å; R405-E409 PolarHBondContact O-N 3.23Å
406	L	96.3	Very high	97.1	Very high	13 Å²	13	41.8 Å²	41.8	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-41.9	178.6	-176.6	64.6	0	0	0	111.7	A315 V317 K357 M402 V403 A408 E409 T410 V412	A315-L406 HydrophobicContact CB-CD1 4.13Å; A315-L406 HydrophobicContact CB-CD2 3.73Å; A315-L406 HydrophobicContact CB-CG 3.97Å; V317-L406 HydrophobicContact CG2-CD2 3.75Å; K357-L406 HydrophobicContact CB-CD2 4.39Å; K357-L406 HydrophobicContact CG-CD2 3.71Å; M402-L406 WeakPolarHBondContact O-CB 3.18Å; M402-L406 PolarHBondContact O-N 3.18Å; V403-L406 WeakPolarHBondContact O-CB 3.42Å; V403-L406 PolarHBondContact O-N 3.21Å; L406-A408 PolarHBondContact O-N 3.23Å; L406-E409 PolarHBondContact O-N 3.47Å; L406-E409 VanDerWaalsContact O-N 3.11Å; L406-T410 PolarHBondContact O-N 2.84Å; L406-V412 HydrophobicContact CB-CG2 4.48Å; L406-V412 HydrophobicContact CD2-CG2 3.85Å; L406-V412 HydrophobicContact CG-CG2 3.89Å
407	M	96.4	Very high	97.1	Very high	56 Å²	56	41.8 Å²	41.8	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-24.1	177.8	-71.5	179.8	68.7	0	0	113.5	V403 E404 R405 E409 T410 V412 M482 I484	V403-M407 HydrophobicContact CG1-CG 4.24Å; V403-M407 HydrophobicContact CG1-SD 3.98Å; V403-M407 VanDerWaalsContact O-CG 3.29Å; V403-M407 WeakPolarHBondContact O-CG 3.24Å; V403-M407 PolarHBondContact O-N 2.98Å; E404-M407 PolarHBondContact O-N 3.12Å; R405-M407 VanDerWaalsContact C-N 3.3Å; R405-M407 PolarHBondContact O-N 3.11Å; M407-E409 VanDerWaalsContact C-N 3.29Å; M407-T410 WeakPolarHBondContact CA-O 3.38Å; M407-V412 HydrophobicContact CG-CB 4.11Å; M407-V412 HydrophobicContact CG-CG2 3.53Å; M407-M482 HydrophobicContact CE-CB 4.39Å; M407-M482 WeakPolarHBondContact CE-O 3.29Å; M407-M482 HydrophobicContact SD-CB 4.09Å; M407-M482 HydrophobicContact SD-CE 4.23Å; M407-I484 HydrophobicContact CE-CG1 3.87Å; M407-I484 HydrophobicContact CG-CD1 4.45Å; M407-I484 HydrophobicContact CG-CG1 4.46Å; M407-I484 HydrophobicContact SD-CD1 3.75Å; M407-I484 HydrophobicContact SD-CG1 3.62Å
408	A	95.1	Very high	97.2	Very high	90 Å²	90	39 Å²	39	74%	0.744	20%	0.196	S	C	*	.	H	α-helix	trans	-74.4	-22.2	174.3	0	0	0	0	0	112.6	E404 R405 L406	E404-A408 PolarHBondContact O-N 3.46Å; R405-A408 WeakPolarHBondContact O-CB 3.5Å; R405-A408 PolarHBondContact O-N 3.36Å; R405-A408 VanDerWaalsContact O-N 3.14Å; L406-A408 PolarHBondContact O-N 3.23Å
409	E	91.1	Very high	97.1	Very high	151 Å²	151	37.3 Å²	37.3	71%	0.706	19%	0.188	S	C	*	.	H	α-helix	trans	-105.2	-28.4	-175.6	-65.4	173.5	-165.5	0	0	112.8	R405 L406 M407	R405-E409 PolarHBondContact O-N 3.23Å; L406-E409 PolarHBondContact O-N 3.47Å; L406-E409 VanDerWaalsContact O-N 3.11Å; M407-E409 VanDerWaalsContact C-N 3.29Å
410	T	92.2	Very high	97	Very high	19 Å²	19	37.5 Å²	37.5	12%	0.117	19%	0.19	C	C	.	.	S	Bend	trans	-154.3	146.3	-169.5	-70.2	0	0	0	0	111.4	K313 A315 L406 M407 V412	K313-T410 WeakPolarHBondContact O-CG2 3.1Å; A315-T410 HydrophobicContact CB-CG2 3.85Å; L406-T410 PolarHBondContact O-N 2.84Å; M407-T410 WeakPolarHBondContact CA-O 3.38Å; T410-V412 PolarHBondContact O-N 2.99Å
411	E	95.3	Very high	96.8	Very high	106 Å²	106	35.6 Å²	35.6	50%	0.495	18%	0.183	S	C	.	.			trans	-62.7	117.4	171.6	-177.1	-174.8	-163.2	0	0	110.4	K314 A315 V413	K314-E411 WeakPolarHBondContact CD-OE2 3.48Å; K314-E411 VanDerWaalsContact CE-OE2 3.25Å; K314-E411 WeakPolarHBondContact CE-OE2 3.32Å; K314-E411 IonicContact NZ-OE2 2.8Å; K314-E411 PolarHBondContact NZ-OE2 2.76Å; A315-E411 PolarHBondContact N-O 2.9Å; E411-V413 HydrophobicContact CG-CG1 4.19Å; E411-V413 PolarHBondContact O-N 2.69Å
412	V	97.8	Very high	96.3	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.073	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	103.8	168.6	-177.3	0	0	0	0	108.9	A315 V317 L406 M407 T410 I484	A315-V412 HydrophobicContact CB-CB 4.44Å; A315-V412 HydrophobicContact CB-CG2 3.9Å; A315-V412 CarbonylContact O-C 3.57Å; A315-V412 WeakPolarHBondContact O-CA 3.43Å; V317-V412 HydrophobicContact CG2-CG1 3.89Å; L406-V412 HydrophobicContact CB-CG2 4.48Å; L406-V412 HydrophobicContact CD2-CG2 3.85Å; L406-V412 HydrophobicContact CG-CG2 3.89Å; M407-V412 HydrophobicContact CG-CB 4.11Å; M407-V412 HydrophobicContact CG-CG2 3.53Å; T410-V412 PolarHBondContact O-N 2.99Å; V412-I484 HydrophobicContact CB-CD1 3.95Å; V412-I484 HydrophobicContact CB-CG1 4.01Å; V412-I484 HydrophobicContact CG1-CD1 3.53Å; V412-I484 HydrophobicContact CG1-CG1 3.97Å; V412-I484 HydrophobicContact CG1-CG2 4.25Å
413	V	96.9	Very high	95.9	Very high	14 Å²	14	38.1 Å²	38.1	9%	0.085	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-30	-176.2	-69.7	0	0	0	0	113	K314 A315 V316 F354 E411 N486	K314-V413 HydrophobicContact CB-CG1 3.87Å; K314-V413 HydrophobicContact CB-CG2 4.49Å; K314-V413 HydrophobicContact CD-CG1 3.33Å; K314-V413 HydrophobicContact CG-CG1 4.19Å; A315-V413 WeakPolarHBondContact O-CG2 3.36Å; A315-V413 PolarHBondContact O-N 3.34Å; V316-V413 HydrophobicContact CG2-CG2 3.7Å; F354-V413 HydrophobicContact CD1-CG2 4.33Å; F354-V413 HydrophobicContact CE1-CG2 3.87Å; E411-V413 HydrophobicContact CG-CG1 4.19Å; E411-V413 PolarHBondContact O-N 2.69Å; V413-N486 WeakPolarHBondContact O-CB 3.43Å; V413-N486 PolarHBondContact O-ND2 2.57Å
414	L	98.4	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	135.2	-172.9	-168.1	150	0	0	0	112	V316 V317 C416 F446 N486 F488 F519	V316-L414 WeakPolarHBondContact CA-O 3.46Å; V316-L414 HydrophobicContact CG1-CB 4.48Å; V316-L414 HydrophobicContact CG1-CD2 4.21Å; V317-L414 PolarHBondContact N-O 3.29Å; L414-C416 HydrophobicContact CD2-CB 3.89Å; L414-F446 HydrophobicContact CD1-CD1 4.18Å; L414-F446 HydrophobicContact CD1-CD2 3.66Å; L414-F446 HydrophobicContact CD1-CE1 4.14Å; L414-F446 HydrophobicContact CD1-CE2 3.59Å; L414-F446 HydrophobicContact CD1-CG 3.97Å; L414-F446 HydrophobicContact CD1-CZ 3.85Å; L414-N486 CarbonylContact C-O 3.58Å; L414-N486 VanDerWaalsContact CA-O 3.3Å; L414-N486 WeakPolarHBondContact CA-O 3.29Å; L414-N486 HydrophobicContact CB-CB 4.29Å; L414-N486 HydrophobicContact CD1-CB 4.27Å; L414-N486 HydrophobicContact CG-CB 4.11Å; L414-F488 HydrophobicContact CD1-CD2 4.36Å; L414-F488 HydrophobicContact CD1-CE2 4.09Å; L414-F488 HydrophobicContact CG-CD2 4.38Å; L414-F488 HydrophobicContact CG-CE2 4.4Å; L414-F519 HydrophobicContact CD2-CE1 4.29Å; L414-F519 HydrophobicContact CD2-CE2 4.24Å; L414-F519 HydrophobicContact CD2-CZ 3.45Å; L414-F519 VanDerWaalsContact CD2-CZ 3.45Å
415	Y	98.8	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.3	164.6	170.8	-90.6	0	0	0	109.4	V317 T319 Y385 D417 M479 N486 S487 F488	V317-Y415 HydrophobicContact CB-CD2 3.91Å; V317-Y415 HydrophobicContact CG1-CD2 3.72Å; V317-Y415 HydrophobicContact CG1-CE2 4.1Å; V317-Y415 CarbonylContact O-C 3.54Å; V317-Y415 VanDerWaalsContact O-CA 3.27Å; V317-Y415 WeakPolarHBondContact O-CA 3.4Å; T319-Y415 HydrophobicContact CG2-CE2 4.02Å; T319-Y415 PolarHBondContact OG1-OH 2.96Å; Y385-Y415 PolarHBondContact OH-OH 2.86Å; Y415-D417 HydrophobicContact CE1-CB 3.95Å; Y415-M479 HydrophobicContact CD1-CB 3.92Å; Y415-M479 HydrophobicContact CD1-CG 3.77Å; Y415-M479 HydrophobicContact CD2-CB 4.33Å; Y415-M479 HydrophobicContact CD2-CE 4.44Å; Y415-M479 HydrophobicContact CD2-CG 3.64Å; Y415-M479 HydrophobicContact CE1-CB 4.38Å; Y415-M479 HydrophobicContact CE1-CG 3.84Å; Y415-M479 HydrophobicContact CE2-CE 3.86Å; Y415-M479 HydrophobicContact CE2-CG 3.68Å; Y415-M479 HydrophobicContact CE2-SD 4.49Å; Y415-M479 HydrophobicContact CG-CB 3.89Å; Y415-M479 HydrophobicContact CG-CG 3.67Å; Y415-N486 PolarHBondContact N-O 2.99Å; Y415-S487 WeakPolarHBondContact CD1-OG 3.46Å; Y415-S487 CarbonylContact O-C 3.43Å; Y415-S487 WeakPolarHBondContact O-CA 3.48Å; Y415-F488 PolarHBondContact O-N 2.76Å
416	C	98.9	Very high	95.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132	172.6	-164.6	0	0	0	0	111.9	V317 V318 T319 L414 F418 F488 F519	V317-C416 PolarHBondContact O-N 3.33Å; V318-C416 CarbonylContact C-O 3.59Å; V318-C416 VanDerWaalsContact CA-O 3.29Å; V318-C416 WeakPolarHBondContact CA-O 3.35Å; T319-C416 PolarHBondContact N-O 3.14Å; L414-C416 HydrophobicContact CD2-CB 3.89Å; C416-F418 HydrophobicContact CB-CE1 4.26Å; C416-F488 WeakPolarHBondContact CA-O 3.44Å; C416-F519 HydrophobicContact CB-CE2 3.67Å; C416-F519 HydrophobicContact CB-CZ 3.63Å
417	D	98.8	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.5	174.1	-164	10.1	0	0	0	109.6	T319 Y415 H419 F488 T489 M490	T319-D417 CarbonylContact O-C 3.59Å; T319-D417 WeakPolarHBondContact O-CA 3.38Å; T319-D417 WeakPolarHBondContact OG1-CB 3.42Å; T319-D417 PolarHBondContact OG1-OD1 2.85Å; Y415-D417 HydrophobicContact CE1-CB 3.95Å; D417-H419 PolarHBondContact O-CD2 3.35Å; D417-H419 IonicContact OD1-CD2 3.46Å; D417-H419 IonicContact OD1-NE2 3.94Å; D417-H419 PolarHBondContact OD1-NE2 3.43Å; D417-H419 IonicContact OD2-CD2 2.69Å; D417-H419 IonicContact OD2-CE1 3.75Å; D417-H419 IonicContact OD2-NE2 2.78Å; D417-H419 PolarHBondContact OD2-NE2 2.97Å; D417-F488 PolarHBondContact N-O 3.47Å; D417-T489 CarbonylContact O-C 3.52Å; D417-T489 WeakPolarHBondContact O-CA 3.41Å; D417-M490 PolarHBondContact O-N 3.41Å
418	F	98.8	Very high	95.8	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.4	-177.5	-71.6	0.6	0	0	0	111.7	V318 T319 A320 M332 M333 F336 C416 M490 F519	V318-F418 HydrophobicContact CG1-CD1 4.19Å; V318-F418 HydrophobicContact CG1-CD2 4.34Å; V318-F418 HydrophobicContact CG1-CE1 3.87Å; V318-F418 HydrophobicContact CG1-CE2 4.01Å; V318-F418 HydrophobicContact CG1-CG 4.43Å; V318-F418 HydrophobicContact CG1-CZ 3.77Å; T319-F418 PolarHBondContact O-N 2.66Å; A320-F418 HydrophobicContact CB-CB 3.9Å; M332-F418 HydrophobicContact CB-CD2 3.71Å; M332-F418 HydrophobicContact CB-CE2 3.99Å; M332-F418 HydrophobicContact CB-CG 4.46Å; M332-F418 HydrophobicContact CE-CB 3.99Å; M332-F418 HydrophobicContact CE-CG 4.23Å; M333-F418 HydrophobicContact CB-CD2 4.24Å; M333-F418 HydrophobicContact CE-CD2 4.22Å; F336-F418 HydrophobicContact CB-CE2 4.18Å; C416-F418 HydrophobicContact CB-CE1 4.26Å; F418-M490 HydrophobicContact CD1-CB 3.84Å; F418-M490 HydrophobicContact CD1-CG 4.46Å; F418-M490 HydrophobicContact CD1-SD 4.14Å; F418-M490 HydrophobicContact CE1-CB 4.22Å; F418-M490 HydrophobicContact CE1-SD 3.72Å; F418-M490 HydrophobicContact CZ-SD 4.34Å; F418-F519 HydrophobicContact CE1-CD2 4.05Å; F418-F519 HydrophobicContact CE1-CE2 4.07Å; F418-F519 HydrophobicContact CZ-CD2 4.17Å; F418-F519 HydrophobicContact CZ-CE2 4.48Å; F418-F519 HydrophobicContact CZ-CG 4.19Å
419	H	98.4	Very high	96	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.014	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	170.9	-171.1	-78.1	-117.8	0	0	0	112	V322 H323 E326 N382 D417 T489 M490 A492	V322-H419 WeakPolarHBondContact CG1-CE1 3.5Å; V322-H419 VanDerWaalsContact CG1-NE2 3.29Å; V322-H419 WeakPolarHBondContact CG1-NE2 3.41Å; H323-H419 AromaticContact CE1-CE1 3.07Å; H323-H419 PolarHBondContact CE1-CE1 2.66Å; H323-H419 AromaticContact CE1-ND1 3.05Å; H323-H419 PolarHBondContact CE1-ND1 2.53Å; H323-H419 AromaticContact ND1-CE1 3.45Å; H323-H419 PolarHBondContact ND1-CE1 3.38Å; H323-H419 AromaticContact ND1-ND1 3.14Å; H323-H419 PolarHBondContact ND1-ND1 3.4Å; H323-H419 VanDerWaalsContact ND1-ND1 3.14Å; H323-H419 AromaticContact NE2-CE1 3.98Å; E326-H419 WeakPolarHBondContact OE2-CB 3.36Å; E326-H419 IonicContact OE2-CG 3.82Å; E326-H419 IonicContact OE2-ND1 2.85Å; E326-H419 PolarHBondContact OE2-ND1 2.8Å; N382-H419 PolarHBondContact ND2-CE1 3.24Å; N382-H419 VanDerWaalsContact ND2-CE1 3.25Å; D417-H419 PolarHBondContact O-CD2 3.35Å; D417-H419 IonicContact OD1-CD2 3.46Å; D417-H419 IonicContact OD1-NE2 3.94Å; D417-H419 PolarHBondContact OD1-NE2 3.43Å; D417-H419 IonicContact OD2-CD2 2.69Å; D417-H419 IonicContact OD2-CE1 3.75Å; D417-H419 IonicContact OD2-NE2 2.78Å; D417-H419 PolarHBondContact OD2-NE2 2.97Å; H419-T489 HydrophobicContact CB-CG2 3.93Å; H419-T489 VanDerWaalsContact CD2-CG2 3.5Å; H419-T489 WeakPolarHBondContact CD2-CG2 3.31Å; H419-M490 PolarHBondContact N-O 3.32Å; H419-A492 PolarHBondContact O-N 3.39Å
420	G	95.9	Very high	96.2	Very high	4 Å²	4	16.4 Å²	16.4	4%	0.041	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143	173.6	0	0	0	0	0	113	E326 N328 A492	E326-G420 VanDerWaalsContact CD-O 3.27Å; E326-G420 PolarHBondContact OE2-N 3.14Å; N328-G420 VanDerWaalsContact OD1-CA 3.31Å; N328-G420 WeakPolarHBondContact OD1-CA 3.18Å; G420-A492 CarbonylContact C-O 3.59Å; G420-A492 VanDerWaalsContact CA-O 3.29Å; G420-A492 WeakPolarHBondContact CA-O 3.29Å
421	H	93.3	Very high	96.4	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.019	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	112.7	-173.6	-162.9	-78.7	0	0	0	112	R423 K424 F428 Y430 E491 A492	H421-R423 VanDerWaalsContact C-N 3.34Å; H421-R423 PolarHBondContact ND1-N 3.48Å; H421-R423 PolarHBondContact O-N 2.78Å; H421-K424 WeakPolarHBondContact ND1-CB 3.28Å; H421-K424 PolarHBondContact ND1-N 3.44Å; H421-K424 VanDerWaalsContact ND1-N 3.15Å; H421-F428 HydrophobicContact CB-CZ 4.14Å; H421-F428 AromaticContact CD2-CZ 3.58Å; H421-F428 AromaticContact CG-CZ 3.65Å; H421-F428 AromaticContact ND1-CZ 3.98Å; H421-F428 AromaticContact NE2-CZ 3.87Å; H421-Y430 PolarHBondContact NE2-OH 2.96Å; H421-E491 HydrophobicContact CB-CB 4.13Å; H421-E491 IonicContact CD2-OE2 3.02Å; H421-A492 PolarHBondContact N-O 2.77Å
422	S	89.1	Confident	96.2	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.028	5%	0.048	C	C	.	.	S	Bend	trans	-85.1	2.8	-171.1	74.5	0	0	0	0	115.7	K182 L186	K182-S422 WeakPolarHBondContact CD-OG 3.44Å; K182-S422 PolarHBondContact NZ-OG 2.89Å; L186-S422 WeakPolarHBondContact CG-O 3.49Å; L186-S422 PolarHBondContact N-O 2.93Å
423	R	89.2	Confident	95.5	Very high	81 Å²	81	11.8 Å²	11.8	31%	0.306	6%	0.055	S	C	.	.	S	Bend	trans	-128.7	-9.2	-171.3	-68.3	178.8	57.5	169.3	17.4	115.3	S184 H421 S573	S184-R423 WeakPolarHBondContact OG-CD 3.49Å; S184-R423 PolarHBondContact OG-NE 2.89Å; S184-R423 PolarHBondContact OG-NH2 3.49Å; H421-R423 VanDerWaalsContact C-N 3.34Å; H421-R423 PolarHBondContact ND1-N 3.48Å; H421-R423 PolarHBondContact O-N 2.78Å; R423-S573 PolarHBondContact NH1-O 2.99Å
424	K	93.3	Very high	94.3	Very high	62 Å²	62	17.3 Å²	17.3	27%	0.27	7%	0.074	S	C	.	.			trans	-135.7	139	-176	-73.3	177.6	179.8	178	0	109.2	H421 F428 T493	H421-K424 WeakPolarHBondContact ND1-CB 3.28Å; H421-K424 PolarHBondContact ND1-N 3.44Å; H421-K424 VanDerWaalsContact ND1-N 3.15Å; K424-F428 HydrophobicContact CB-CE1 3.75Å; K424-F428 HydrophobicContact CB-CZ 4.02Å; K424-F428 HydrophobicContact CD-CE1 4.01Å; K424-F428 HydrophobicContact CD-CZ 3.78Å; K424-T493 VanDerWaalsContact O-CB 3.32Å; K424-T493 WeakPolarHBondContact O-CB 3.32Å; K424-T493 PolarHBondContact O-OG1 3.07Å
425	H	96.4	Very high	92.5	Very high	20 Å²	20	24.3 Å²	24.3	9%	0.093	11%	0.111	C	C	.	.			trans	-73.8	167.3	170	-70.8	-56.2	0	0	0	111.1	F63 L189 G496 T498	F63-H425 AromaticContact CE2-CE1 3.57Å; F63-H425 AromaticContact CE2-NE2 3.66Å; F63-H425 AromaticContact CZ-CE1 3.42Å; F63-H425 VanDerWaalsContact CZ-CE1 3.42Å; F63-H425 WeakPolarHBondContact CZ-CE1 3.17Å; F63-H425 AromaticContact CZ-ND1 3.6Å; L189-H425 PolarHBondContact O-NE2 2.66Å; H425-G496 WeakPolarHBondContact CB-O 3.39Å; H425-G496 PolarHBondContact ND1-O 3.47Å; H425-T498 HydrophobicContact CB-CG2 3.64Å
426	N	98.1	Very high	90.3	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	13%	0.127	C	C	.	.	S	Bend	trans	68.5	179.1	-177.6	-38.8	-58.1	0	0	0	113.5	K457 T493 G496 S497 T498 L499	N426-K457 WeakPolarHBondContact CB-O 3.3Å; N426-T493 WeakPolarHBondContact O-CB 3.41Å; N426-T493 PolarHBondContact O-N 2.95Å; N426-T493 VanDerWaalsContact O-N 3.1Å; N426-G496 PolarHBondContact N-O 3.5Å; N426-S497 WeakPolarHBondContact OD1-CA 3.47Å; N426-S497 PolarHBondContact OD1-OG 3.48Å; N426-T498 PolarHBondContact ND2-OG1 3.31Å; N426-T498 PolarHBondContact OD1-N 3.07Å; N426-T498 PolarHBondContact OD1-OG1 3.14Å; N426-L499 HydrophobicContact CB-CD1 4.08Å; N426-L499 WeakPolarHBondContact OD1-CG 3.38Å
427	V	98.6	Very high	88.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	146	169.5	-171.4	0	0	0	0	109.4	M332 K457 F458 S459 M490 E491 A492 F507 M515	M332-V427 HydrophobicContact SD-CG1 4.49Å; V427-K457 PolarHBondContact N-O 2.81Å; V427-F458 HydrophobicContact CB-CD2 4.19Å; V427-F458 HydrophobicContact CG1-CD2 4.04Å; V427-F458 HydrophobicContact CG1-CE2 4.38Å; V427-F458 CarbonylContact O-C 3.55Å; V427-F458 VanDerWaalsContact O-CA 3.3Å; V427-F458 WeakPolarHBondContact O-CA 3.34Å; V427-S459 PolarHBondContact O-N 3.06Å; V427-M490 HydrophobicContact CG1-CE 3.52Å; V427-M490 HydrophobicContact CG1-CG 3.83Å; V427-E491 VanDerWaalsContact CA-O 3.28Å; V427-E491 WeakPolarHBondContact CA-O 3.41Å; V427-E491 WeakPolarHBondContact CG1-O 3.2Å; V427-A492 HydrophobicContact CG1-CB 4.47Å; V427-A492 HydrophobicContact CG2-CB 4.08Å; V427-F507 HydrophobicContact CG2-CE2 3.75Å; V427-F507 HydrophobicContact CG2-CZ 4.48Å; V427-M515 HydrophobicContact CB-CE 4.16Å; V427-M515 HydrophobicContact CG1-CE 4.14Å; V427-M515 HydrophobicContact CG2-CE 4.37Å; V427-M515 HydrophobicContact CG2-CG 3.97Å; V427-M515 HydrophobicContact CG2-SD 4.22Å
428	F	98.4	Very high	85.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	171.7	175.5	49.6	-91.8	0	0	0	110.5	H421 K424 Y430 S459 E491	H421-F428 HydrophobicContact CB-CZ 4.14Å; H421-F428 AromaticContact CD2-CZ 3.58Å; H421-F428 AromaticContact CG-CZ 3.65Å; H421-F428 AromaticContact ND1-CZ 3.98Å; H421-F428 AromaticContact NE2-CZ 3.87Å; K424-F428 HydrophobicContact CB-CE1 3.75Å; K424-F428 HydrophobicContact CB-CZ 4.02Å; K424-F428 HydrophobicContact CD-CE1 4.01Å; K424-F428 HydrophobicContact CD-CZ 3.78Å; F428-Y430 HydrophobicContact CD2-CD1 4.39Å; F428-Y430 AromaticContact CD2-CE1 3.97Å; F428-Y430 HydrophobicContact CD2-CE1 3.97Å; F428-Y430 HydrophobicContact CE2-CD1 4.46Å; F428-Y430 AromaticContact CE2-CE1 3.71Å; F428-Y430 HydrophobicContact CE2-CE1 3.71Å; F428-Y430 HydrophobicContact CE2-CE2 4.15Å; F428-Y430 AromaticContact CE2-CZ 3.53Å; F428-Y430 WeakPolarHBondContact CE2-OH 3.37Å; F428-S459 WeakPolarHBondContact CB-O 3.43Å; F428-E491 HydrophobicContact CD2-CB 3.85Å; F428-E491 HydrophobicContact CD2-CG 4.33Å; F428-E491 HydrophobicContact CE1-CB 4.48Å; F428-E491 HydrophobicContact CE2-CB 3.45Å; F428-E491 VanDerWaalsContact CE2-CB 3.45Å; F428-E491 HydrophobicContact CE2-CG 3.84Å; F428-E491 HydrophobicContact CZ-CB 3.8Å; F428-E491 PolarHBondContact N-O 2.86Å; F428-E491 PolarHBondContact O-N 3.03Å
429	M	97.9	Very high	83.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.1	178.9	-74.6	176.8	180	0	0	112.4	F446 P447 M450 F458 C463 R464 F488 T489 M490 F519	M429-F446 HydrophobicContact CE-CD1 4.35Å; M429-F446 HydrophobicContact CE-CE1 3.93Å; M429-F446 HydrophobicContact SD-CD1 4.14Å; M429-F446 HydrophobicContact SD-CE1 4.32Å; M429-P447 HydrophobicContact CB-CB 4.38Å; M429-P447 HydrophobicContact CB-CG 4.18Å; M429-P447 HydrophobicContact SD-CB 4.38Å; M429-P447 HydrophobicContact SD-CG 3.99Å; M429-M450 HydrophobicContact CE-CE 4.31Å; M429-M450 HydrophobicContact CE-CG 4.17Å; M429-F458 HydrophobicContact CB-CZ 4.12Å; M429-F458 HydrophobicContact CE-CE2 4.18Å; M429-F458 HydrophobicContact CG-CE2 3.87Å; M429-F458 HydrophobicContact CG-CZ 3.77Å; M429-F458 HydrophobicContact SD-CE2 4.3Å; M429-F458 HydrophobicContact SD-CZ 4.13Å; M429-C463 PolarHBondContact N-SG 3.07Å; M429-C463 WeakPolarHBondContact O-CA 3.14Å; M429-C463 WeakPolarHBondContact O-CB 3.47Å; M429-C463 PolarHBondContact O-SG 3Å; M429-R464 PolarHBondContact O-N 2.83Å; M429-F488 HydrophobicContact CG-CB 4.43Å; M429-F488 HydrophobicContact SD-CB 4.18Å; M429-F488 HydrophobicContact SD-CD1 4.49Å; M429-F488 HydrophobicContact SD-CD2 4.22Å; M429-F488 HydrophobicContact SD-CG 4.05Å; M429-T489 CarbonylContact C-O 3.48Å; M429-T489 VanDerWaalsContact CA-O 3.3Å; M429-T489 WeakPolarHBondContact CA-O 3.3Å; M429-M490 HydrophobicContact CE-CB 4.06Å; M429-M490 HydrophobicContact CE-CG 3.89Å; M429-M490 HydrophobicContact CE-SD 3.45Å; M429-M490 WeakPolarHBondContact CE-SD 3.45Å; M429-M490 HydrophobicContact CG-CB 4.14Å; M429-M490 HydrophobicContact CG-CG 4.23Å; M429-F519 HydrophobicContact CE-CD2 3.94Å; M429-F519 HydrophobicContact CE-CE2 3.97Å
430	Y	96.3	Very high	82.1	Confident	7 Å²	7	53.8 Å²	53.8	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.4	158.9	-59.2	-39.2	0	0	0	108.9	H421 F428 R464 R476 F488 T489 E491 T572	H421-Y430 PolarHBondContact NE2-OH 2.96Å; F428-Y430 HydrophobicContact CD2-CD1 4.39Å; F428-Y430 AromaticContact CD2-CE1 3.97Å; F428-Y430 HydrophobicContact CD2-CE1 3.97Å; F428-Y430 HydrophobicContact CE2-CD1 4.46Å; F428-Y430 AromaticContact CE2-CE1 3.71Å; F428-Y430 HydrophobicContact CE2-CE1 3.71Å; F428-Y430 HydrophobicContact CE2-CE2 4.15Å; F428-Y430 AromaticContact CE2-CZ 3.53Å; F428-Y430 WeakPolarHBondContact CE2-OH 3.37Å; Y430-R464 CarbonylContact C-O 3.55Å; Y430-R464 WeakPolarHBondContact CA-O 3.43Å; Y430-R464 HydrophobicContact CD1-CB 3.69Å; Y430-R464 HydrophobicContact CD1-CG 4.09Å; Y430-R464 HydrophobicContact CE1-CB 3.99Å; Y430-R464 HydrophobicContact CE1-CG 3.87Å; Y430-R476 WeakPolarHBondContact O-CD 3.44Å; Y430-R476 PolarHBondContact O-NE 3.37Å; Y430-F488 CarbonylContact O-C 3.58Å; Y430-F488 VanDerWaalsContact O-CA 3.28Å; Y430-F488 WeakPolarHBondContact O-CA 3.35Å; Y430-T489 PolarHBondContact N-O 2.8Å; Y430-T489 PolarHBondContact O-N 3.36Å; Y430-E491 HydrophobicContact CD2-CG 3.7Å; Y430-E491 HydrophobicContact CE2-CG 3.66Å; Y430-E491 WeakPolarHBondContact CE2-OE1 3.44Å; Y430-E491 HydrophobicContact CG-CG 4.49Å; Y430-T572 HydrophobicContact CD1-CG2 4.35Å; Y430-T572 HydrophobicContact CE1-CG2 4.11Å
431	G	95.2	Very high	81.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.257	C	S	.	.			trans	-117.6	-163.9	178.7	0	0	0	0	0	112.8	R464 R476	G431-R464 PolarHBondContact N-O 3.31Å; G431-R476 PolarHBondContact O-NE 3.35Å; G431-R476 PolarHBondContact O-NH2 3.45Å
432	C	92.3	Very high	80.9	Confident	2 Å²	2	59 Å²	59	1%	0.014	27%	0.274	C	S	.	.			trans	-135.5	109.9	176.2	-69.1	0	0	0	0	110.3	F465 V467 W480	C432-F465 WeakPolarHBondContact CA-O 3.49Å; C432-V467 HydrophobicContact CB-CG2 4.09Å; C432-W480 HydrophobicContact CB-CB 4.02Å; C432-W480 HydrophobicContact CB-CD2 3.51Å; C432-W480 HydrophobicContact CB-CE3 4.1Å; C432-W480 HydrophobicContact CB-CG 3.45Å; C432-W480 VanDerWaalsContact CB-CG 3.45Å; C432-W480 HydrophobicContact CB-CZ2 4.34Å; C432-W480 PolarHBondContact O-NE1 2.94Å
433	D	82.9	Confident	80.9	Confident	39 Å²	39	59.5 Å²	59.5	21%	0.209	28%	0.277	C	S	.	.			trans	-80.2	143.1	177.5	-154.6	-35.1	0	0	0	111	R444 F465 W480	D433-R444 IonicContact OD2-CZ 3.93Å; D433-R444 IonicContact OD2-NE 3.54Å; D433-R444 IonicContact OD2-NH2 2.72Å; D433-R444 PolarHBondContact OD2-NH2 2.68Å; D433-F465 HydrophobicContact CB-CB 3.86Å; D433-F465 PolarHBondContact N-O 2.97Å; D433-W480 WeakPolarHBondContact O-CZ2 3.36Å
434	R	70.3	Confident	81.1	Confident	129 Å²	129	56.6 Å²	56.6	49%	0.487	27%	0.266	S	S	.	.			trans	-99.3	128.5	168.5	-79.8	-176.2	172.6	-156.6	-1	108.4	S436 W480	R434-S436 PolarHBondContact O-N 3.1Å; R434-W480 HydrophobicContact CG-CZ2 3.59Å
435	N	61.5	Low	81.3	Confident	148 Å²	148	53.8 Å²	53.8	79%	0.791	25%	0.253	S	S	*	.			trans	-69.7	41.8	165.7	-82.5	-11.2	0	0	0	112.6
436	S	53.5	Low	81.3	Confident	47 Å²	47	52.8 Å²	52.8	33%	0.329	25%	0.249	S	C	.	.			trans	-101.4	131.6	177.3	179.8	0	0	0	0	110.8	R434 L438	R434-S436 PolarHBondContact O-N 3.1Å; S436-L438 VanDerWaalsContact C-N 3.29Å; S436-L438 PolarHBondContact O-N 2.72Å; S436-L438 PolarHBondContact OG-N 2.78Å
437	K	55.4	Low	81.3	Confident	188 Å²	188	52.5 Å²	52.5	82%	0.817	25%	0.247	S	C	*	.	S	Bend	trans	-72.5	-18.7	179.2	-65.9	-178.8	-178.6	177.3	0	113.3
438	L	45.4	Very low	81.3	Confident	146 Å²	146	52.7 Å²	52.7	76%	0.764	25%	0.248	S	C	*	.	S	Bend	trans	-86.3	-31	-171.7	-96.6	104.3	0	0	0	115.4	S436	S436-L438 VanDerWaalsContact C-N 3.29Å; S436-L438 PolarHBondContact O-N 2.72Å; S436-L438 PolarHBondContact OG-N 2.78Å
439	F	52.9	Low	81.2	Confident	121 Å²	121	52.9 Å²	52.9	53%	0.531	25%	0.249	S	C	.	.	S	Bend	trans	-125.9	51.5	-173	-62.4	-76.8	0	0	0	111.4	F441	F439-F441 PolarHBondContact O-N 2.74Å; F439-F441 VanDerWaalsContact O-N 3.16Å
440	K	67.8	Low	81.2	Confident	121 Å²	121	52.9 Å²	52.9	53%	0.526	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	120.7	-171.7	-66.8	-175.4	-179.5	177.7	0	111
441	F	78.1	Confident	81.3	Confident	34 Å²	34	53.7 Å²	53.7	15%	0.149	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	11.5	162.1	-36	-52.5	0	0	0	118.3	F439 E443 R444 L538 V541 L545	F439-F441 PolarHBondContact O-N 2.74Å; F439-F441 VanDerWaalsContact O-N 3.16Å; F441-E443 WeakPolarHBondContact CA-OE1 3.32Å; F441-E443 PolarHBondContact O-N 3.13Å; F441-R444 HydrophobicContact CB-CG 4.5Å; F441-R444 WeakPolarHBondContact O-CB 3.41Å; F441-R444 PolarHBondContact O-N 2.71Å; F441-L538 HydrophobicContact CB-CD1 4.41Å; F441-V541 HydrophobicContact CB-CG1 3.6Å; F441-V541 HydrophobicContact CD2-CG1 4.44Å; F441-V541 HydrophobicContact CG-CG1 4.07Å; F441-L545 HydrophobicContact CB-CD1 4.44Å; F441-L545 HydrophobicContact CD1-CD1 3.29Å; F441-L545 HydrophobicContact CD2-CD1 3.97Å; F441-L545 HydrophobicContact CE1-CD1 3.3Å; F441-L545 HydrophobicContact CE2-CD1 3.97Å; F441-L545 HydrophobicContact CG-CD1 3.64Å; F441-L545 HydrophobicContact CZ-CD1 3.65Å
442	Q	85.9	Confident	81.4	Confident	82 Å²	82	58 Å²	58	38%	0.383	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-58.7	-39.1	178.6	-73.6	-174.2	-19.1	0	0	112.1	R444 V445 L538	Q442-R444 PolarHBondContact O-N 2.65Å; Q442-V445 WeakPolarHBondContact O-CB 3.45Å; Q442-V445 PolarHBondContact O-N 3.24Å; Q442-V445 VanDerWaalsContact O-N 3.08Å; Q442-L538 HydrophobicContact CG-CD1 4.5Å
443	E	90.3	Very high	81.6	Confident	16 Å²	16	59.7 Å²	59.7	8%	0.075	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-62.2	-15.3	177.4	67.5	-72.8	163.1	0	0	113.8	F441 P447 F465 F488	F441-E443 WeakPolarHBondContact CA-OE1 3.32Å; F441-E443 PolarHBondContact O-N 3.13Å; E443-P447 WeakPolarHBondContact O-CD 3.5Å; E443-F465 HydrophobicContact CG-CD1 3.96Å; E443-F465 HydrophobicContact CG-CE1 4.46Å; E443-F465 WeakPolarHBondContact O-CE1 3.36Å; E443-F488 VanDerWaalsContact O-CE1 3.26Å; E443-F488 WeakPolarHBondContact O-CE1 3.38Å; E443-F488 VanDerWaalsContact O-CZ 3.27Å; E443-F488 WeakPolarHBondContact O-CZ 3.49Å
444	R	93.8	Very high	82.3	Confident	20 Å²	20	57.9 Å²	57.9	8%	0.075	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-94	-11.5	179.7	-57.7	-175.4	177.3	-107.2	-0.7	113	D433 F441 Q442 L448 F465 V541 E569	D433-R444 IonicContact OD2-CZ 3.93Å; D433-R444 IonicContact OD2-NE 3.54Å; D433-R444 IonicContact OD2-NH2 2.72Å; D433-R444 PolarHBondContact OD2-NH2 2.68Å; F441-R444 HydrophobicContact CB-CG 4.5Å; F441-R444 WeakPolarHBondContact O-CB 3.41Å; F441-R444 PolarHBondContact O-N 2.71Å; Q442-R444 PolarHBondContact O-N 2.65Å; R444-L448 PolarHBondContact O-N 2.83Å; R444-F465 HydrophobicContact CB-CE1 4.23Å; R444-F465 HydrophobicContact CB-CE2 4.47Å; R444-F465 HydrophobicContact CB-CZ 4.02Å; R444-F465 HydrophobicContact CG-CD1 3.9Å; R444-F465 HydrophobicContact CG-CD2 4.07Å; R444-F465 HydrophobicContact CG-CE1 3.73Å; R444-F465 HydrophobicContact CG-CE2 3.88Å; R444-F465 HydrophobicContact CG-CG 4.08Å; R444-F465 HydrophobicContact CG-CZ 3.71Å; R444-V541 HydrophobicContact CB-CG1 3.86Å; R444-V541 HydrophobicContact CB-CG2 4.19Å; R444-V541 HydrophobicContact CG-CG1 4.46Å; R444-E569 IonicContact CZ-OE1 3.86Å; R444-E569 IonicContact NH1-OE1 3.71Å; R444-E569 PolarHBondContact NH1-OE1 3.28Å; R444-E569 IonicContact NH2-OE1 3.69Å; R444-E569 PolarHBondContact NH2-OE1 2.85Å
445	V	95.6	Very high	83.5	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-49.5	-177.5	173.8	0	0	0	0	111.3	Q442 L448 M449 F526 V534 C537 L538	Q442-V445 WeakPolarHBondContact O-CB 3.45Å; Q442-V445 PolarHBondContact O-N 3.24Å; Q442-V445 VanDerWaalsContact O-N 3.08Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 PolarHBondContact O-N 3.23Å; V445-M449 HydrophobicContact CG1-CE 4.07Å; V445-M449 HydrophobicContact CG1-CG 4.3Å; V445-M449 HydrophobicContact CG1-SD 3.88Å; V445-M449 WeakPolarHBondContact O-CG 3.24Å; V445-M449 PolarHBondContact O-N 3.33Å; V445-F526 HydrophobicContact CB-CE2 4.23Å; V445-F526 HydrophobicContact CG1-CD2 4.19Å; V445-F526 HydrophobicContact CG1-CE2 4.06Å; V445-V534 HydrophobicContact CG1-CG1 4.21Å; V445-C537 HydrophobicContact CG1-CB 3.77Å; V445-L538 HydrophobicContact CG2-CB 4.15Å; V445-L538 HydrophobicContact CG2-CD1 3.94Å
446	F	97.7	Very high	85.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.4	-48.2	-179.6	-174.6	-79.1	0	0	0	112.3	L414 M429 L448 M449 M450 F488 F519 T522 L523 F526	L414-F446 HydrophobicContact CD1-CD1 4.18Å; L414-F446 HydrophobicContact CD1-CD2 3.66Å; L414-F446 HydrophobicContact CD1-CE1 4.14Å; L414-F446 HydrophobicContact CD1-CE2 3.59Å; L414-F446 HydrophobicContact CD1-CG 3.97Å; L414-F446 HydrophobicContact CD1-CZ 3.85Å; M429-F446 HydrophobicContact CE-CD1 4.35Å; M429-F446 HydrophobicContact CE-CE1 3.93Å; M429-F446 HydrophobicContact SD-CD1 4.14Å; M429-F446 HydrophobicContact SD-CE1 4.32Å; F446-L448 VanDerWaalsContact C-N 3.29Å; F446-L448 PolarHBondContact O-N 3.34Å; F446-M449 PolarHBondContact O-N 2.83Å; F446-M450 HydrophobicContact CD1-CG 3.96Å; F446-M450 HydrophobicContact CE1-CG 3.62Å; F446-M450 HydrophobicContact CE1-SD 4Å; F446-M450 HydrophobicContact CZ-CG 4.39Å; F446-M450 HydrophobicContact CZ-SD 4.33Å; F446-M450 PolarHBondContact O-N 3.28Å; F446-F488 HydrophobicContact CB-CE2 4.14Å; F446-F488 HydrophobicContact CB-CZ 4.29Å; F446-F488 HydrophobicContact CD1-CE2 4.09Å; F446-F488 HydrophobicContact CG-CE2 4.26Å; F446-F519 HydrophobicContact CE1-CD2 4.03Å; F446-F519 AromaticContact CE1-CE2 3.9Å; F446-F519 HydrophobicContact CE1-CE2 3.9Å; F446-F519 HydrophobicContact CZ-CD2 4.07Å; F446-F519 AromaticContact CZ-CE2 3.98Å; F446-F519 HydrophobicContact CZ-CE2 3.98Å; F446-F519 HydrophobicContact CZ-CG 4.45Å; F446-F519 HydrophobicContact CZ-CZ 4.31Å; F446-T522 HydrophobicContact CD1-CG2 4.47Å; F446-T522 HydrophobicContact CD2-CG2 4.01Å; F446-T522 HydrophobicContact CE1-CG2 4.23Å; F446-T522 HydrophobicContact CE2-CG2 3.77Å; F446-T522 HydrophobicContact CG-CG2 4.35Å; F446-T522 HydrophobicContact CZ-CG2 3.88Å; F446-L523 HydrophobicContact CE2-CB 4.38Å; F446-L523 HydrophobicContact CE2-CD1 4.4Å; F446-F526 HydrophobicContact CB-CD2 4.08Å; F446-F526 HydrophobicContact CB-CE2 4.05Å; F446-F526 HydrophobicContact CB-CG 4.43Å; F446-F526 HydrophobicContact CB-CZ 4.37Å; F446-F526 HydrophobicContact CD2-CB 3.8Å; F446-F526 AromaticContact CD2-CD1 3.78Å; F446-F526 HydrophobicContact CD2-CD1 3.78Å; F446-F526 HydrophobicContact CD2-CD2 4.11Å; F446-F526 HydrophobicContact CD2-CE1 4.36Å; F446-F526 AromaticContact CD2-CG 3.63Å; F446-F526 HydrophobicContact CD2-CG 3.63Å; F446-F526 HydrophobicContact CE2-CB 4.23Å; F446-F526 HydrophobicContact CE2-CD1 4.48Å; F446-F526 HydrophobicContact CE2-CG 4.44Å
447	P	97.8	Very high	87.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-30.6	173.3	-26.4	36.9	0	0	0	114.6	M429 E443 S451 F458 Y460 F465 F488	M429-P447 HydrophobicContact CB-CB 4.38Å; M429-P447 HydrophobicContact CB-CG 4.18Å; M429-P447 HydrophobicContact SD-CB 4.38Å; M429-P447 HydrophobicContact SD-CG 3.99Å; E443-P447 WeakPolarHBondContact O-CD 3.5Å; P447-S451 PolarHBondContact O-N 3.29Å; P447-F458 HydrophobicContact CB-CE1 4.32Å; P447-F458 HydrophobicContact CB-CZ 4.21Å; P447-F458 WeakPolarHBondContact O-CE1 3.49Å; P447-Y460 HydrophobicContact CB-CD2 4.06Å; P447-Y460 HydrophobicContact CB-CE2 4.12Å; P447-F465 HydrophobicContact CB-CZ 4.23Å; P447-F465 HydrophobicContact CG-CE1 4.08Å; P447-F465 HydrophobicContact CG-CZ 3.91Å; P447-F488 HydrophobicContact CG-CD1 4.33Å; P447-F488 HydrophobicContact CG-CE1 3.85Å; P447-F488 HydrophobicContact CG-CZ 4.08Å
448	L	97.8	Very high	89.4	Confident	4 Å²	4	38 Å²	38	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-69.6	-42.9	175.3	-178.9	63.9	0	0	0	110.8	R444 V445 F446 S451 K452 Y460 C537 E540 V541	R444-L448 PolarHBondContact O-N 2.83Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 PolarHBondContact O-N 3.23Å; F446-L448 VanDerWaalsContact C-N 3.29Å; F446-L448 PolarHBondContact O-N 3.34Å; L448-S451 WeakPolarHBondContact O-CB 3.43Å; L448-S451 PolarHBondContact O-N 3.5Å; L448-S451 VanDerWaalsContact O-N 3.13Å; L448-S451 PolarHBondContact O-OG 3.46Å; L448-K452 PolarHBondContact O-N 3.11Å; L448-Y460 HydrophobicContact CB-CD2 3.98Å; L448-Y460 HydrophobicContact CB-CE2 3.77Å; L448-Y460 HydrophobicContact CD1-CD1 3.89Å; L448-Y460 HydrophobicContact CD1-CD2 4.22Å; L448-Y460 HydrophobicContact CD1-CE1 4.11Å; L448-Y460 HydrophobicContact CD1-CE2 4.43Å; L448-Y460 HydrophobicContact CD1-CG 3.95Å; L448-C537 HydrophobicContact CD2-CB 4Å; L448-E540 HydrophobicContact CD2-CB 4.01Å; L448-E540 HydrophobicContact CD2-CG 4.05Å; L448-V541 HydrophobicContact CB-CG2 4.21Å; L448-V541 HydrophobicContact CD2-CG2 3.53Å; L448-V541 HydrophobicContact CG-CG2 4.45Å
449	M	97.9	Very high	91.9	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-45.2	174.9	-69.3	174.4	151.8	0	0	111.5	V445 F446 S451 K452 N453 T522 F526 K533 V534 C537	V445-M449 HydrophobicContact CG1-CE 4.07Å; V445-M449 HydrophobicContact CG1-CG 4.3Å; V445-M449 HydrophobicContact CG1-SD 3.88Å; V445-M449 WeakPolarHBondContact O-CG 3.24Å; V445-M449 PolarHBondContact O-N 3.33Å; F446-M449 PolarHBondContact O-N 2.83Å; M449-S451 PolarHBondContact O-N 2.72Å; M449-S451 VanDerWaalsContact O-N 3.12Å; M449-K452 WeakPolarHBondContact O-CA 3.42Å; M449-K452 WeakPolarHBondContact O-CB 3.39Å; M449-K452 PolarHBondContact O-N 3.05Å; M449-N453 PolarHBondContact O-N 3.05Å; M449-N453 PolarHBondContact O-OD1 2.84Å; M449-T522 HydrophobicContact CB-CG2 3.57Å; M449-F526 HydrophobicContact SD-CB 4.08Å; M449-F526 HydrophobicContact SD-CD2 3.89Å; M449-K533 HydrophobicContact CE-CB 3.76Å; M449-K533 WeakPolarHBondContact CE-O 3.48Å; M449-V534 HydrophobicContact CE-CB 4.22Å; M449-V534 HydrophobicContact CE-CG2 3.67Å; M449-C537 HydrophobicContact CE-CB 4.37Å; M449-C537 HydrophobicContact CG-CB 4.4Å
450	M	97.9	Very high	94	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-52.1	-38.4	172.7	-77.9	-67.2	-69.3	0	0	112.2	M429 F446 K452 N453 A454 F458 M490 M515 F519 T522	M429-M450 HydrophobicContact CE-CE 4.31Å; M429-M450 HydrophobicContact CE-CG 4.17Å; F446-M450 HydrophobicContact CD1-CG 3.96Å; F446-M450 HydrophobicContact CE1-CG 3.62Å; F446-M450 HydrophobicContact CE1-SD 4Å; F446-M450 HydrophobicContact CZ-CG 4.39Å; F446-M450 HydrophobicContact CZ-SD 4.33Å; F446-M450 PolarHBondContact O-N 3.28Å; M450-K452 VanDerWaalsContact C-N 3.28Å; M450-K452 PolarHBondContact O-N 2.94Å; M450-N453 PolarHBondContact O-N 2.88Å; M450-A454 WeakPolarHBondContact O-CB 3.45Å; M450-A454 PolarHBondContact O-N 2.95Å; M450-F458 HydrophobicContact CB-CD1 4.02Å; M450-F458 HydrophobicContact CB-CD2 4.03Å; M450-F458 HydrophobicContact CB-CE1 3.95Å; M450-F458 HydrophobicContact CB-CE2 3.96Å; M450-F458 HydrophobicContact CB-CG 4.05Å; M450-F458 HydrophobicContact CB-CZ 3.91Å; M450-F458 HydrophobicContact CE-CD2 4.08Å; M450-F458 HydrophobicContact CE-CE2 4.24Å; M450-F458 HydrophobicContact CG-CE2 4.37Å; M450-F458 HydrophobicContact CG-CZ 4.5Å; M450-M490 HydrophobicContact CE-CE 3.63Å; M450-M490 HydrophobicContact CE-SD 4.32Å; M450-M515 HydrophobicContact CE-CE 3.76Å; M450-F519 HydrophobicContact CE-CB 4.29Å; M450-F519 HydrophobicContact SD-CB 4.4Å; M450-T522 HydrophobicContact CG-CG2 3.88Å; M450-T522 VanDerWaalsContact SD-CB 3.55Å; M450-T522 HydrophobicContact SD-CG2 3.99Å; M450-T522 PolarHBondContact SD-OG1 2.84Å
451	S	97.7	Very high	95.2	Very high	23 Å²	23	31 Å²	31	16%	0.161	15%	0.15	C	C	.	.	H	α-helix	trans	-73	-19.1	178.9	79.5	0	0	0	0	114.5	P447 L448 M449 S455	P447-S451 PolarHBondContact O-N 3.29Å; L448-S451 WeakPolarHBondContact O-CB 3.43Å; L448-S451 PolarHBondContact O-N 3.5Å; L448-S451 VanDerWaalsContact O-N 3.13Å; L448-S451 PolarHBondContact O-OG 3.46Å; M449-S451 PolarHBondContact O-N 2.72Å; M449-S451 VanDerWaalsContact O-N 3.12Å; S451-S455 VanDerWaalsContact O-CA 3.24Å; S451-S455 WeakPolarHBondContact O-CA 3.4Å; S451-S455 PolarHBondContact O-N 2.98Å
452	K	96.9	Very high	96	Very high	91 Å²	91	30.5 Å²	30.5	40%	0.396	15%	0.151	S	C	.	.	H	α-helix	trans	-83.3	-43.5	173.3	-63.1	177.8	-173.4	-68.7	0	109.9	L448 M449 M450 E540	L448-K452 PolarHBondContact O-N 3.11Å; M449-K452 WeakPolarHBondContact O-CA 3.42Å; M449-K452 WeakPolarHBondContact O-CB 3.39Å; M449-K452 PolarHBondContact O-N 3.05Å; M450-K452 VanDerWaalsContact C-N 3.28Å; M450-K452 PolarHBondContact O-N 2.94Å; K452-E540 WeakPolarHBondContact CE-OE2 3.4Å; K452-E540 IonicContact NZ-OE1 2.7Å; K452-E540 PolarHBondContact NZ-OE1 3.36Å; K452-E540 IonicContact NZ-OE2 2.88Å; K452-E540 PolarHBondContact NZ-OE2 3.36Å
453	N	96.9	Very high	96.4	Very high	38 Å²	38	26.9 Å²	26.9	20%	0.203	13%	0.134	C	C	.	.	H	α-helix	trans	-74.6	-33.8	-177.6	-61.6	16	0	0	0	111.5	M449 M450 Y518 D521 T522 D525	M449-N453 PolarHBondContact O-N 3.05Å; M449-N453 PolarHBondContact O-OD1 2.84Å; M450-N453 PolarHBondContact O-N 2.88Å; N453-Y518 HydrophobicContact CB-CD1 4.17Å; N453-Y518 WeakPolarHBondContact O-CD1 3.23Å; N453-Y518 WeakPolarHBondContact O-CE1 3.31Å; N453-D521 PolarHBondContact ND2-OD2 3.08Å; N453-T522 PolarHBondContact ND2-OG1 3.24Å; N453-D525 PolarHBondContact ND2-OD2 3.1Å
454	A	97.4	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	49.6	178.2	0	0	0	0	0	112.6	M450 N456 K457 F458 M515 Y518	M450-A454 WeakPolarHBondContact O-CB 3.45Å; M450-A454 PolarHBondContact O-N 2.95Å; A454-N456 VanDerWaalsContact C-N 3.27Å; A454-N456 PolarHBondContact O-N 2.81Å; A454-N456 VanDerWaalsContact O-N 3.14Å; A454-K457 PolarHBondContact O-N 3.01Å; A454-F458 HydrophobicContact CB-CB 3.96Å; A454-F458 WeakPolarHBondContact O-CB 3.36Å; A454-F458 PolarHBondContact O-N 3.05Å; A454-M515 HydrophobicContact CB-CE 3.96Å; A454-M515 HydrophobicContact CB-SD 4.04Å; A454-Y518 HydrophobicContact CB-CD1 4.3Å; A454-Y518 HydrophobicContact CB-CD2 3.61Å; A454-Y518 HydrophobicContact CB-CE2 4.05Å; A454-Y518 HydrophobicContact CB-CG 3.76Å
455	S	96.3	Very high	96.4	Very high	58 Å²	58	27.4 Å²	27.4	41%	0.406	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-38.9	-172.6	56.5	0	0	0	0	115	S451 K457	S451-S455 VanDerWaalsContact O-CA 3.24Å; S451-S455 WeakPolarHBondContact O-CA 3.4Å; S451-S455 PolarHBondContact O-N 2.98Å; S455-K457 VanDerWaalsContact C-N 3.34Å; S455-K457 PolarHBondContact O-N 3.49Å
456	N	96.8	Very high	96	Very high	20 Å²	20	31.3 Å²	31.3	11%	0.107	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.4	-178.9	66.8	3.5	0	0	0	115.1	A454 S497 D500 D501 R502	A454-N456 VanDerWaalsContact C-N 3.27Å; A454-N456 PolarHBondContact O-N 2.81Å; A454-N456 VanDerWaalsContact O-N 3.14Å; N456-S497 WeakPolarHBondContact O-CB 3.43Å; N456-S497 PolarHBondContact O-OG 2.89Å; N456-D500 HydrophobicContact CB-CB 4.17Å; N456-D501 WeakPolarHBondContact CB-OD1 3.36Å; N456-D501 PolarHBondContact ND2-OD1 2.79Å; N456-D501 PolarHBondContact ND2-OD2 2.81Å; N456-R502 HydrophobicContact CB-CB 4.26Å; N456-R502 HydrophobicContact CB-CG 3.98Å; N456-R502 WeakPolarHBondContact ND2-CG 3.33Å
457	K	97.7	Very high	95.5	Very high	14 Å²	14	33.1 Å²	33.1	6%	0.061	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-31.1	-178.9	-66.8	176.6	-168.8	72.9	0	113.4	N426 V427 A454 S455 F507 D511 S514 M515	N426-K457 WeakPolarHBondContact CB-O 3.3Å; V427-K457 PolarHBondContact N-O 2.81Å; A454-K457 PolarHBondContact O-N 3.01Å; S455-K457 VanDerWaalsContact C-N 3.34Å; S455-K457 PolarHBondContact O-N 3.49Å; K457-F507 HydrophobicContact CB-CE1 4.42Å; K457-F507 HydrophobicContact CB-CZ 3.83Å; K457-F507 HydrophobicContact CD-CE1 4.4Å; K457-F507 HydrophobicContact CD-CZ 4.4Å; K457-F507 HydrophobicContact CG-CE1 3.8Å; K457-F507 HydrophobicContact CG-CZ 3.7Å; K457-D511 WeakPolarHBondContact CE-OD1 3.18Å; K457-D511 IonicContact NZ-OD1 3.2Å; K457-S514 WeakPolarHBondContact CE-OG 3.39Å; K457-M515 HydrophobicContact CB-SD 3.51Å; K457-M515 VanDerWaalsContact CB-SD 3.51Å; K457-M515 HydrophobicContact CD-CG 4.42Å; K457-M515 HydrophobicContact CD-SD 3.83Å; K457-M515 HydrophobicContact CG-SD 4.29Å
458	F	98.5	Very high	94.9	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.018	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-105.7	124.3	-173.4	-167.1	-79.4	0	0	0	112.6	V427 M429 P447 M450 A454 M515	V427-F458 HydrophobicContact CB-CD2 4.19Å; V427-F458 HydrophobicContact CG1-CD2 4.04Å; V427-F458 HydrophobicContact CG1-CE2 4.38Å; V427-F458 CarbonylContact O-C 3.55Å; V427-F458 VanDerWaalsContact O-CA 3.3Å; V427-F458 WeakPolarHBondContact O-CA 3.34Å; M429-F458 HydrophobicContact CB-CZ 4.12Å; M429-F458 HydrophobicContact CE-CE2 4.18Å; M429-F458 HydrophobicContact CG-CE2 3.87Å; M429-F458 HydrophobicContact CG-CZ 3.77Å; M429-F458 HydrophobicContact SD-CE2 4.3Å; M429-F458 HydrophobicContact SD-CZ 4.13Å; P447-F458 HydrophobicContact CB-CE1 4.32Å; P447-F458 HydrophobicContact CB-CZ 4.21Å; P447-F458 WeakPolarHBondContact O-CE1 3.49Å; M450-F458 HydrophobicContact CB-CD1 4.02Å; M450-F458 HydrophobicContact CB-CD2 4.03Å; M450-F458 HydrophobicContact CB-CE1 3.95Å; M450-F458 HydrophobicContact CB-CE2 3.96Å; M450-F458 HydrophobicContact CB-CG 4.05Å; M450-F458 HydrophobicContact CB-CZ 3.91Å; M450-F458 HydrophobicContact CE-CD2 4.08Å; M450-F458 HydrophobicContact CE-CE2 4.24Å; M450-F458 HydrophobicContact CG-CE2 4.37Å; M450-F458 HydrophobicContact CG-CZ 4.5Å; A454-F458 HydrophobicContact CB-CB 3.96Å; A454-F458 WeakPolarHBondContact O-CB 3.36Å; A454-F458 PolarHBondContact O-N 3.05Å; F458-M515 HydrophobicContact CB-CE 4.19Å; F458-M515 HydrophobicContact CD2-CE 3.95Å
459	S	97.8	Very high	94.3	Very high	13 Å²	13	44.7 Å²	44.7	9%	0.091	21%	0.214	C	C	.	.			trans	-104.6	95.6	-177.1	-172.7	0	0	0	0	111.9	V427 F428 K461 S462	V427-S459 PolarHBondContact O-N 3.06Å; F428-S459 WeakPolarHBondContact CB-O 3.43Å; S459-K461 PolarHBondContact O-N 3.49Å; S459-S462 PolarHBondContact O-N 2.75Å; S459-S462 PolarHBondContact OG-OG 3.02Å
460	Y	96.8	Very high	93.7	Very high	37 Å²	37	46.7 Å²	46.7	15%	0.145	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-58.1	-37.6	173.3	-176.4	-108.5	0	0	0	112.5	P447 L448 S462 C463 L544	P447-Y460 HydrophobicContact CB-CD2 4.06Å; P447-Y460 HydrophobicContact CB-CE2 4.12Å; L448-Y460 HydrophobicContact CB-CD2 3.98Å; L448-Y460 HydrophobicContact CB-CE2 3.77Å; L448-Y460 HydrophobicContact CD1-CD1 3.89Å; L448-Y460 HydrophobicContact CD1-CD2 4.22Å; L448-Y460 HydrophobicContact CD1-CE1 4.11Å; L448-Y460 HydrophobicContact CD1-CE2 4.43Å; L448-Y460 HydrophobicContact CD1-CG 3.95Å; Y460-S462 PolarHBondContact O-N 2.83Å; Y460-S462 VanDerWaalsContact O-N 3.11Å; Y460-C463 WeakPolarHBondContact O-CB 3.41Å; Y460-C463 PolarHBondContact O-N 3.33Å; Y460-C463 PolarHBondContact O-SG 3.28Å; Y460-L544 HydrophobicContact CD1-CD1 4.49Å; Y460-L544 HydrophobicContact CE1-CD1 4.06Å
461	K	93.9	Very high	93.2	Very high	190 Å²	190	47.5 Å²	47.5	83%	0.826	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-58.8	-26.3	176.9	-65.8	177.8	-178	168.6	0	113.4	S459 R464	S459-K461 PolarHBondContact O-N 3.49Å; K461-R464 PolarHBondContact O-NH1 3.13Å
462	S	94.8	Very high	92.9	Very high	23 Å²	23	48.4 Å²	48.4	16%	0.161	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-85.8	-10.9	178.8	-60.9	0	0	0	0	113	S459 Y460	S459-S462 PolarHBondContact O-N 2.75Å; S459-S462 PolarHBondContact OG-OG 3.02Å; Y460-S462 PolarHBondContact O-N 2.83Å; Y460-S462 VanDerWaalsContact O-N 3.11Å
463	C	95.3	Very high	92.6	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.041	22%	0.221	C	C	.	.			trans	-67.6	147.9	179.5	-62.2	0	0	0	0	112	M429 Y460 F465	M429-C463 PolarHBondContact N-SG 3.07Å; M429-C463 WeakPolarHBondContact O-CA 3.14Å; M429-C463 WeakPolarHBondContact O-CB 3.47Å; M429-C463 PolarHBondContact O-SG 3Å; Y460-C463 WeakPolarHBondContact O-CB 3.41Å; Y460-C463 PolarHBondContact O-N 3.33Å; Y460-C463 PolarHBondContact O-SG 3.28Å; C463-F465 HydrophobicContact CB-CE2 3.75Å; C463-F465 HydrophobicContact CB-CZ 4.1Å
464	R	92.3	Very high	92.6	Very high	46 Å²	46	43 Å²	43	17%	0.174	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-140.5	140.8	-179.9	-60.4	-68.8	-179.1	-92.7	5.9	110	M429 Y430 G431 K461 T570 T572	M429-R464 PolarHBondContact O-N 2.83Å; Y430-R464 CarbonylContact C-O 3.55Å; Y430-R464 WeakPolarHBondContact CA-O 3.43Å; Y430-R464 HydrophobicContact CD1-CB 3.69Å; Y430-R464 HydrophobicContact CD1-CG 4.09Å; Y430-R464 HydrophobicContact CE1-CB 3.99Å; Y430-R464 HydrophobicContact CE1-CG 3.87Å; G431-R464 PolarHBondContact N-O 3.31Å; K461-R464 PolarHBondContact O-NH1 3.13Å; R464-T570 PolarHBondContact NH2-OG1 3.27Å; R464-T572 HydrophobicContact CB-CG2 4.2Å; R464-T572 HydrophobicContact CG-CG2 4.4Å
465	F	91.6	Very high	92.5	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.212	C	C	.	.			trans	-125.8	-12.7	-174.3	-58.1	-99.9	0	0	0	112.4	C432 D433 E443 R444 P447 C463 V467 F488 E569	C432-F465 WeakPolarHBondContact CA-O 3.49Å; D433-F465 HydrophobicContact CB-CB 3.86Å; D433-F465 PolarHBondContact N-O 2.97Å; E443-F465 HydrophobicContact CG-CD1 3.96Å; E443-F465 HydrophobicContact CG-CE1 4.46Å; E443-F465 WeakPolarHBondContact O-CE1 3.36Å; R444-F465 HydrophobicContact CB-CE1 4.23Å; R444-F465 HydrophobicContact CB-CE2 4.47Å; R444-F465 HydrophobicContact CB-CZ 4.02Å; R444-F465 HydrophobicContact CG-CD1 3.9Å; R444-F465 HydrophobicContact CG-CD2 4.07Å; R444-F465 HydrophobicContact CG-CE1 3.73Å; R444-F465 HydrophobicContact CG-CE2 3.88Å; R444-F465 HydrophobicContact CG-CG 4.08Å; R444-F465 HydrophobicContact CG-CZ 3.71Å; P447-F465 HydrophobicContact CB-CZ 4.23Å; P447-F465 HydrophobicContact CG-CE1 4.08Å; P447-F465 HydrophobicContact CG-CZ 3.91Å; C463-F465 HydrophobicContact CB-CE2 3.75Å; C463-F465 HydrophobicContact CB-CZ 4.1Å; F465-V467 PolarHBondContact O-N 2.77Å; F465-F488 HydrophobicContact CE1-CE1 4.2Å; F465-E569 PolarHBondContact N-OE1 3.02Å; F465-E569 PolarHBondContact N-OE2 3.36Å
466	K	87.3	Confident	92.5	Very high	84 Å²	84	40.8 Å²	40.8	37%	0.365	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-66.4	122.5	172.2	-175.4	174.5	-173.9	175.3	0	110.9	S566 E569	K466-S566 WeakPolarHBondContact CD-O 3.48Å; K466-S566 WeakPolarHBondContact CE-O 3.27Å; K466-S566 PolarHBondContact NZ-O 2.9Å; K466-E569 HydrophobicContact CB-CB 4.34Å; K466-E569 WeakPolarHBondContact CB-OE2 3.48Å; K466-E569 PolarHBondContact N-OE2 3.09Å
467	V	87.1	Confident	92.5	Very high	38 Å²	38	39.8 Å²	39.8	23%	0.23	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-79.7	128.7	172.9	-179.1	0	0	0	0	109.8	C432 F465 V477	C432-V467 HydrophobicContact CB-CG2 4.09Å; F465-V467 PolarHBondContact O-N 2.77Å; V467-V477 HydrophobicContact CG1-CG1 3.98Å; V467-V477 HydrophobicContact CG1-CG2 3.77Å; V467-V477 HydrophobicContact CG2-CG2 4.11Å
468	Q	85.4	Confident	92.5	Very high	53 Å²	53	39.5 Å²	39.5	25%	0.248	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-97.6	149	173.1	-59.1	-178.5	-1.4	0	0	110.2	S470 K471 S571 T572	Q468-S470 VanDerWaalsContact C-N 3.26Å; Q468-S470 PolarHBondContact O-N 3.3Å; Q468-K471 HydrophobicContact CB-CG 4.05Å; Q468-K471 WeakPolarHBondContact O-CA 3.32Å; Q468-K471 WeakPolarHBondContact O-CB 3.35Å; Q468-K471 PolarHBondContact O-N 2.74Å; Q468-S571 VanDerWaalsContact NE2-CA 3.31Å; Q468-T572 PolarHBondContact NE2-OG1 3.25Å; Q468-T572 PolarHBondContact OE1-OG1 2.86Å
469	K	85.3	Confident	92.5	Very high	194 Å²	194	39.3 Å²	39.3	84%	0.843	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-54.4	-40.3	-179.9	-170.5	179.2	179.1	-176.6	0	112.8	K471 E472	K469-K471 PolarHBondContact O-N 3.21Å; K469-E472 VanDerWaalsContact O-CB 3.24Å; K469-E472 WeakPolarHBondContact O-CB 3.25Å; K469-E472 WeakPolarHBondContact O-CG 3.45Å; K469-E472 PolarHBondContact O-N 3.5Å
470	S	83.8	Confident	92.4	Very high	47 Å²	47	40.8 Å²	40.8	33%	0.329	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-69.6	-7.8	177.4	59.5	0	0	0	0	114.5	R383 Q468	R383-S470 WeakPolarHBondContact CD-O 3.41Å; R383-S470 PolarHBondContact NE-O 3.31Å; Q468-S470 VanDerWaalsContact C-N 3.26Å; Q468-S470 PolarHBondContact O-N 3.3Å
471	K	88.7	Confident	92.3	Very high	17 Å²	17	45.6 Å²	45.6	7%	0.074	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-105.8	4.1	179.4	-52.7	-61.2	173.9	178	0	112.4	Q468 K469 G473 T474 V477 S575	Q468-K471 HydrophobicContact CB-CG 4.05Å; Q468-K471 WeakPolarHBondContact O-CA 3.32Å; Q468-K471 WeakPolarHBondContact O-CB 3.35Å; Q468-K471 PolarHBondContact O-N 2.74Å; K469-K471 PolarHBondContact O-N 3.21Å; K471-G473 PolarHBondContact O-N 2.89Å; K471-T474 HydrophobicContact CB-CG2 4Å; K471-T474 HydrophobicContact CD-CG2 4.25Å; K471-T474 WeakPolarHBondContact O-CB 3.17Å; K471-T474 VanDerWaalsContact O-CG2 3.28Å; K471-T474 WeakPolarHBondContact O-CG2 3.3Å; K471-T474 PolarHBondContact O-N 2.94Å; K471-T474 PolarHBondContact O-OG1 3.22Å; K471-V477 WeakPolarHBondContact O-CG2 3.22Å; K471-S575 PolarHBondContact NZ-O 3.05Å
472	E	90.3	Very high	92.4	Very high	43 Å²	43	39.3 Å²	39.3	20%	0.201	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.3	-178.6	-84	-65.9	161.9	0	0	114.3	K386 K469 R481	K386-E472 WeakPolarHBondContact CE-O 3.16Å; K386-E472 PolarHBondContact NZ-O 3.3Å; K386-E472 IonicContact NZ-OE2 2.63Å; K386-E472 PolarHBondContact NZ-OE2 3.25Å; K469-E472 VanDerWaalsContact O-CB 3.24Å; K469-E472 WeakPolarHBondContact O-CB 3.25Å; K469-E472 WeakPolarHBondContact O-CG 3.45Å; K469-E472 PolarHBondContact O-N 3.5Å; E472-R481 VanDerWaalsContact CD-CZ 3.48Å; E472-R481 IonicContact OE1-CZ 3.92Å; E472-R481 IonicContact OE1-NE 2.76Å; E472-R481 IonicContact OE1-NH2 2.74Å; E472-R481 PolarHBondContact OE1-NH2 3.19Å; E472-R481 IonicContact OE2-CZ 3.9Å; E472-R481 IonicContact OE2-NE 3.51Å; E472-R481 PolarHBondContact OE2-NE 3.23Å; E472-R481 IonicContact OE2-NH1 2.74Å; E472-R481 PolarHBondContact OE2-NH1 2.81Å; E472-R481 IonicContact OE2-NH2 3.87Å; E472-R481 PolarHBondContact OE2-NH2 3.32Å
473	G	91.8	Very high	92.4	Very high	11 Å²	11	39.9 Å²	39.9	11%	0.113	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.8	177.9	0	0	0	0	0	115.2	R383 Y385 K471	R383-G473 CarbonylContact C-O 3.59Å; R383-G473 VanDerWaalsContact C-O 3.24Å; R383-G473 WeakPolarHBondContact O-CA 3.35Å; Y385-G473 WeakPolarHBondContact CB-O 3.45Å; Y385-G473 PolarHBondContact N-O 3.15Å; Y385-G473 VanDerWaalsContact N-O 3.15Å; K471-G473 PolarHBondContact O-N 2.89Å
474	T	95.6	Very high	92.5	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.025	19%	0.192	C	C	.	.	S	Bend	trans	-76.3	151.4	-179.4	62.1	0	0	0	0	112.1	N382 K471 R476 V477 V478	N382-T474 VanDerWaalsContact O-CA 3.25Å; N382-T474 WeakPolarHBondContact O-CA 3.45Å; N382-T474 WeakPolarHBondContact O-CG2 3.49Å; N382-T474 WeakPolarHBondContact OD1-CA 3.26Å; N382-T474 WeakPolarHBondContact OD1-CB 3.47Å; K471-T474 HydrophobicContact CB-CG2 4Å; K471-T474 HydrophobicContact CD-CG2 4.25Å; K471-T474 WeakPolarHBondContact O-CB 3.17Å; K471-T474 VanDerWaalsContact O-CG2 3.28Å; K471-T474 WeakPolarHBondContact O-CG2 3.3Å; K471-T474 PolarHBondContact O-N 2.94Å; K471-T474 PolarHBondContact O-OG1 3.22Å; T474-R476 VanDerWaalsContact C-N 3.33Å; T474-R476 PolarHBondContact O-N 2.65Å; T474-V477 PolarHBondContact O-N 2.89Å; T474-V477 VanDerWaalsContact OG1-CG2 3.28Å; T474-V477 WeakPolarHBondContact OG1-CG2 3.43Å; T474-V478 WeakPolarHBondContact O-CG2 3.3Å; T474-V478 PolarHBondContact O-N 3.13Å
475	G	96.5	Very high	92.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-53.2	-51	179.1	0	0	0	0	0	111.5	N382 Y385 V477 V478 M479	N382-G475 PolarHBondContact OD1-N 2.84Å; Y385-G475 VanDerWaalsContact CD2-CA 3.41Å; Y385-G475 VanDerWaalsContact CE2-CA 3.49Å; Y385-G475 VanDerWaalsContact CG-CA 3.45Å; G475-V477 PolarHBondContact O-N 2.94Å; G475-V478 PolarHBondContact O-N 3.28Å; G475-M479 WeakPolarHBondContact O-CB 3.47Å; G475-M479 VanDerWaalsContact O-CG 3.25Å; G475-M479 WeakPolarHBondContact O-CG 3.31Å; G475-M479 PolarHBondContact O-N 2.94Å
476	R	96.4	Very high	92.7	Very high	11 Å²	11	43.6 Å²	43.6	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-49	-53.1	176.1	-177.2	179.4	78.7	-120	13.1	113.4	Y430 G431 T474 W480 S487 T489	Y430-R476 WeakPolarHBondContact O-CD 3.44Å; Y430-R476 PolarHBondContact O-NE 3.37Å; G431-R476 PolarHBondContact O-NE 3.35Å; G431-R476 PolarHBondContact O-NH2 3.45Å; T474-R476 VanDerWaalsContact C-N 3.33Å; T474-R476 PolarHBondContact O-N 2.65Å; R476-W480 VanDerWaalsContact O-CB 3.32Å; R476-W480 WeakPolarHBondContact O-CB 3.48Å; R476-W480 PolarHBondContact O-N 2.98Å; R476-S487 WeakPolarHBondContact CA-OG 3.37Å; R476-S487 VanDerWaalsContact CD-O 3.32Å; R476-S487 WeakPolarHBondContact CD-O 3.33Å; R476-S487 WeakPolarHBondContact CG-O 3.32Å; R476-S487 WeakPolarHBondContact O-CB 3.41Å; R476-S487 PolarHBondContact O-OG 3.14Å; R476-T489 WeakPolarHBondContact CB-OG1 3.28Å; R476-T489 PolarHBondContact NH1-OG1 3.41Å
477	V	96.5	Very high	93.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.4	-37.1	-175.1	176.6	0	0	0	0	111.1	V467 K471 T474 G475 R481	V467-V477 HydrophobicContact CG1-CG1 3.98Å; V467-V477 HydrophobicContact CG1-CG2 3.77Å; V467-V477 HydrophobicContact CG2-CG2 4.11Å; K471-V477 WeakPolarHBondContact O-CG2 3.22Å; T474-V477 PolarHBondContact O-N 2.89Å; T474-V477 VanDerWaalsContact OG1-CG2 3.28Å; T474-V477 WeakPolarHBondContact OG1-CG2 3.43Å; G475-V477 PolarHBondContact O-N 2.94Å; V477-R481 WeakPolarHBondContact O-CB 3.3Å; V477-R481 VanDerWaalsContact O-CG 3.29Å; V477-R481 WeakPolarHBondContact O-CG 3.23Å; V477-R481 PolarHBondContact O-N 3.48Å
478	V	97.3	Very high	93.8	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-49	177.1	171.2	0	0	0	0	111.3	K386 R400 T474 G475 W480 R481 M482	K386-V478 HydrophobicContact CD-CG2 4.3Å; K386-V478 HydrophobicContact CG-CG2 3.49Å; K386-V478 VanDerWaalsContact CG-CG2 3.49Å; R400-V478 HydrophobicContact CG-CG1 4.37Å; T474-V478 WeakPolarHBondContact O-CG2 3.3Å; T474-V478 PolarHBondContact O-N 3.13Å; G475-V478 PolarHBondContact O-N 3.28Å; V478-W480 VanDerWaalsContact C-N 3.28Å; V478-W480 PolarHBondContact O-N 2.51Å; V478-R481 PolarHBondContact O-N 2.99Å; V478-R481 VanDerWaalsContact O-N 3.14Å; V478-M482 HydrophobicContact CG1-SD 4.08Å; V478-M482 WeakPolarHBondContact O-CG 3.32Å; V478-M482 PolarHBondContact O-N 3.4Å
479	M	97.9	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-37.8	177.7	-62.7	-45.3	176.4	0	0	111.9	Y385 T399 V403 Y415 G475 M482 G483 I484	Y385-M479 HydrophobicContact CD1-CE 4.05Å; Y385-M479 HydrophobicContact CE1-CE 3.93Å; T399-M479 HydrophobicContact CG2-CE 4.2Å; V403-M479 HydrophobicContact CB-CE 4.33Å; V403-M479 HydrophobicContact CB-SD 4.01Å; V403-M479 HydrophobicContact CG1-SD 3.8Å; V403-M479 HydrophobicContact CG2-CE 3.93Å; V403-M479 HydrophobicContact CG2-SD 4.11Å; Y415-M479 HydrophobicContact CD1-CB 3.92Å; Y415-M479 HydrophobicContact CD1-CG 3.77Å; Y415-M479 HydrophobicContact CD2-CB 4.33Å; Y415-M479 HydrophobicContact CD2-CE 4.44Å; Y415-M479 HydrophobicContact CD2-CG 3.64Å; Y415-M479 HydrophobicContact CE1-CB 4.38Å; Y415-M479 HydrophobicContact CE1-CG 3.84Å; Y415-M479 HydrophobicContact CE2-CE 3.86Å; Y415-M479 HydrophobicContact CE2-CG 3.68Å; Y415-M479 HydrophobicContact CE2-SD 4.49Å; Y415-M479 HydrophobicContact CG-CB 3.89Å; Y415-M479 HydrophobicContact CG-CG 3.67Å; G475-M479 WeakPolarHBondContact O-CB 3.47Å; G475-M479 VanDerWaalsContact O-CG 3.25Å; G475-M479 WeakPolarHBondContact O-CG 3.31Å; G475-M479 PolarHBondContact O-N 2.94Å; M479-M482 PolarHBondContact O-N 3.31Å; M479-M482 HydrophobicContact SD-SD 3.94Å; M479-G483 PolarHBondContact O-N 3.26Å; M479-I484 HydrophobicContact CB-CD1 4.14Å; M479-I484 WeakPolarHBondContact O-CB 3.32Å; M479-I484 PolarHBondContact O-N 3.23Å; M479-I484 VanDerWaalsContact O-N 3.17Å
480	W	96.5	Very high	95	Very high	44 Å²	44	26.2 Å²	26.2	17%	0.167	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-43.6	173.6	174.7	77	0	0	0	112.9	C432 D433 R434 R476 V478 M482 G483 I484	C432-W480 HydrophobicContact CB-CB 4.02Å; C432-W480 HydrophobicContact CB-CD2 3.51Å; C432-W480 HydrophobicContact CB-CE3 4.1Å; C432-W480 HydrophobicContact CB-CG 3.45Å; C432-W480 VanDerWaalsContact CB-CG 3.45Å; C432-W480 HydrophobicContact CB-CZ2 4.34Å; C432-W480 PolarHBondContact O-NE1 2.94Å; D433-W480 WeakPolarHBondContact O-CZ2 3.36Å; R434-W480 HydrophobicContact CG-CZ2 3.59Å; R476-W480 VanDerWaalsContact O-CB 3.32Å; R476-W480 WeakPolarHBondContact O-CB 3.48Å; R476-W480 PolarHBondContact O-N 2.98Å; V478-W480 VanDerWaalsContact C-N 3.28Å; V478-W480 PolarHBondContact O-N 2.51Å; W480-M482 VanDerWaalsContact C-N 3.28Å; W480-M482 PolarHBondContact O-N 2.91Å; W480-G483 PolarHBondContact O-N 3.09Å; W480-G483 VanDerWaalsContact O-N 3.08Å; W480-I484 WeakPolarHBondContact CA-O 3.2Å
481	R	95.4	Very high	95.7	Very high	139 Å²	139	24.3 Å²	24.3	53%	0.525	12%	0.118	S	C	.	.	H	α-helix	trans	-65.7	-29.9	176.5	-77.1	171.7	170.6	-123.9	-8.1	113	E472 V477 V478 G483	E472-R481 VanDerWaalsContact CD-CZ 3.48Å; E472-R481 IonicContact OE1-CZ 3.92Å; E472-R481 IonicContact OE1-NE 2.76Å; E472-R481 IonicContact OE1-NH2 2.74Å; E472-R481 PolarHBondContact OE1-NH2 3.19Å; E472-R481 IonicContact OE2-CZ 3.9Å; E472-R481 IonicContact OE2-NE 3.51Å; E472-R481 PolarHBondContact OE2-NE 3.23Å; E472-R481 IonicContact OE2-NH1 2.74Å; E472-R481 PolarHBondContact OE2-NH1 2.81Å; E472-R481 IonicContact OE2-NH2 3.87Å; E472-R481 PolarHBondContact OE2-NH2 3.32Å; V477-R481 WeakPolarHBondContact O-CB 3.3Å; V477-R481 VanDerWaalsContact O-CG 3.29Å; V477-R481 WeakPolarHBondContact O-CG 3.23Å; V477-R481 PolarHBondContact O-N 3.48Å; V478-R481 PolarHBondContact O-N 2.99Å; V478-R481 VanDerWaalsContact O-N 3.14Å; R481-G483 PolarHBondContact O-N 3.37Å
482	M	95.8	Very high	96.2	Very high	57 Å²	57	23.5 Å²	23.5	28%	0.281	11%	0.114	S	C	.	.	H	α-helix	trans	-70.1	-19.1	173.5	-69.6	169.2	61.5	0	0	112.7	R400 V403 E404 M407 V478 M479 W480	R400-M482 HydrophobicContact CG-CE 4.28Å; R400-M482 HydrophobicContact CG-SD 3.74Å; V403-M482 HydrophobicContact CB-CE 4.48Å; V403-M482 HydrophobicContact CG1-CE 4.25Å; E404-M482 HydrophobicContact CB-CE 3.61Å; E404-M482 HydrophobicContact CG-CE 4.23Å; M407-M482 HydrophobicContact CE-CB 4.39Å; M407-M482 WeakPolarHBondContact CE-O 3.29Å; M407-M482 HydrophobicContact SD-CB 4.09Å; M407-M482 HydrophobicContact SD-CE 4.23Å; V478-M482 HydrophobicContact CG1-SD 4.08Å; V478-M482 WeakPolarHBondContact O-CG 3.32Å; V478-M482 PolarHBondContact O-N 3.4Å; M479-M482 PolarHBondContact O-N 3.31Å; M479-M482 HydrophobicContact SD-SD 3.94Å; W480-M482 VanDerWaalsContact C-N 3.28Å; W480-M482 PolarHBondContact O-N 2.91Å
483	G	94.6	Very high	96.5	Very high	35 Å²	35	21.4 Å²	21.4	36%	0.361	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	129.3	-4.8	174.1	0	0	0	0	0	115.1	M479 W480 R481 K485	M479-G483 PolarHBondContact O-N 3.26Å; W480-G483 PolarHBondContact O-N 3.09Å; W480-G483 VanDerWaalsContact O-N 3.08Å; R481-G483 PolarHBondContact O-N 3.37Å; G483-K485 PolarHBondContact O-N 2.64Å
484	I	96.3	Very high	96.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.099	C	C	.	.			trans	-75.2	108.6	-179.9	-57.9	173.4	0	0	0	109.4	V403 M407 V412 M479 W480	V403-I484 HydrophobicContact CG1-CD1 3.59Å; M407-I484 HydrophobicContact CE-CG1 3.87Å; M407-I484 HydrophobicContact CG-CD1 4.45Å; M407-I484 HydrophobicContact CG-CG1 4.46Å; M407-I484 HydrophobicContact SD-CD1 3.75Å; M407-I484 HydrophobicContact SD-CG1 3.62Å; V412-I484 HydrophobicContact CB-CD1 3.95Å; V412-I484 HydrophobicContact CB-CG1 4.01Å; V412-I484 HydrophobicContact CG1-CD1 3.53Å; V412-I484 HydrophobicContact CG1-CG1 3.97Å; V412-I484 HydrophobicContact CG1-CG2 4.25Å; M479-I484 HydrophobicContact CB-CD1 4.14Å; M479-I484 WeakPolarHBondContact O-CB 3.32Å; M479-I484 PolarHBondContact O-N 3.23Å; M479-I484 VanDerWaalsContact O-N 3.17Å; W480-I484 WeakPolarHBondContact CA-O 3.2Å
485	K	92.1	Very high	96.8	Very high	114 Å²	114	20.7 Å²	20.7	50%	0.496	10%	0.098	S	C	.	.	S	Bend	trans	-63.1	-51.3	-174.7	-64.2	177.5	-175.4	170.8	0	112	G483 S487	G483-K485 PolarHBondContact O-N 2.64Å; K485-S487 PolarHBondContact O-N 3.04Å
486	N	96.4	Very high	96.8	Very high	17 Å²	17	20.7 Å²	20.7	9%	0.091	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	80.5	-179.8	-55.7	-62.4	0	0	0	109.3	V413 L414 Y415 F488	V413-N486 WeakPolarHBondContact O-CB 3.43Å; V413-N486 PolarHBondContact O-ND2 2.57Å; L414-N486 CarbonylContact C-O 3.58Å; L414-N486 VanDerWaalsContact CA-O 3.3Å; L414-N486 WeakPolarHBondContact CA-O 3.29Å; L414-N486 HydrophobicContact CB-CB 4.29Å; L414-N486 HydrophobicContact CD1-CB 4.27Å; L414-N486 HydrophobicContact CG-CB 4.11Å; Y415-N486 PolarHBondContact N-O 2.99Å; N486-F488 HydrophobicContact CB-CE2 3.65Å; N486-F488 HydrophobicContact CB-CZ 3.95Å
487	S	97.9	Very high	96.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.9	178	-174.2	0	0	0	0	109.4	Y415 R476 K485	Y415-S487 WeakPolarHBondContact CD1-OG 3.46Å; Y415-S487 CarbonylContact O-C 3.43Å; Y415-S487 WeakPolarHBondContact O-CA 3.48Å; R476-S487 WeakPolarHBondContact CA-OG 3.37Å; R476-S487 VanDerWaalsContact CD-O 3.32Å; R476-S487 WeakPolarHBondContact CD-O 3.33Å; R476-S487 WeakPolarHBondContact CG-O 3.32Å; R476-S487 WeakPolarHBondContact O-CB 3.41Å; R476-S487 PolarHBondContact O-OG 3.14Å; K485-S487 PolarHBondContact O-N 3.04Å
488	F	98.5	Very high	96.9	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157	-171.8	-54.8	-63.5	0	0	0	113.9	L414 Y415 C416 D417 M429 Y430 E443 F446 P447 F465 N486	L414-F488 HydrophobicContact CD1-CD2 4.36Å; L414-F488 HydrophobicContact CD1-CE2 4.09Å; L414-F488 HydrophobicContact CG-CD2 4.38Å; L414-F488 HydrophobicContact CG-CE2 4.4Å; Y415-F488 PolarHBondContact O-N 2.76Å; C416-F488 WeakPolarHBondContact CA-O 3.44Å; D417-F488 PolarHBondContact N-O 3.47Å; M429-F488 HydrophobicContact CG-CB 4.43Å; M429-F488 HydrophobicContact SD-CB 4.18Å; M429-F488 HydrophobicContact SD-CD1 4.49Å; M429-F488 HydrophobicContact SD-CD2 4.22Å; M429-F488 HydrophobicContact SD-CG 4.05Å; Y430-F488 CarbonylContact O-C 3.58Å; Y430-F488 VanDerWaalsContact O-CA 3.28Å; Y430-F488 WeakPolarHBondContact O-CA 3.35Å; E443-F488 VanDerWaalsContact O-CE1 3.26Å; E443-F488 WeakPolarHBondContact O-CE1 3.38Å; E443-F488 VanDerWaalsContact O-CZ 3.27Å; E443-F488 WeakPolarHBondContact O-CZ 3.49Å; F446-F488 HydrophobicContact CB-CE2 4.14Å; F446-F488 HydrophobicContact CB-CZ 4.29Å; F446-F488 HydrophobicContact CD1-CE2 4.09Å; F446-F488 HydrophobicContact CG-CE2 4.26Å; P447-F488 HydrophobicContact CG-CD1 4.33Å; P447-F488 HydrophobicContact CG-CE1 3.85Å; P447-F488 HydrophobicContact CG-CZ 4.08Å; F465-F488 HydrophobicContact CE1-CE1 4.2Å; N486-F488 HydrophobicContact CB-CE2 3.65Å; N486-F488 HydrophobicContact CB-CZ 3.95Å
489	T	98.5	Very high	96.8	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.9	157.8	-56.9	0	0	0	0	105.9	D417 H419 M429 Y430 R476 E491	D417-T489 CarbonylContact O-C 3.52Å; D417-T489 WeakPolarHBondContact O-CA 3.41Å; H419-T489 HydrophobicContact CB-CG2 3.93Å; H419-T489 VanDerWaalsContact CD2-CG2 3.5Å; H419-T489 WeakPolarHBondContact CD2-CG2 3.31Å; M429-T489 CarbonylContact C-O 3.48Å; M429-T489 VanDerWaalsContact CA-O 3.3Å; M429-T489 WeakPolarHBondContact CA-O 3.3Å; Y430-T489 PolarHBondContact N-O 2.8Å; Y430-T489 PolarHBondContact O-N 3.36Å; R476-T489 WeakPolarHBondContact CB-OG1 3.28Å; R476-T489 PolarHBondContact NH1-OG1 3.41Å; T489-E491 HydrophobicContact CG2-CG 4.16Å; T489-E491 WeakPolarHBondContact CG2-OE1 3.46Å
490	M	98.6	Very high	96.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.4	176.1	-173.6	167.9	172.4	0	0	109.1	M332 D417 F418 H419 V427 M429 M450 M515 F519	M332-M490 HydrophobicContact SD-CE 3.99Å; D417-M490 PolarHBondContact O-N 3.41Å; F418-M490 HydrophobicContact CD1-CB 3.84Å; F418-M490 HydrophobicContact CD1-CG 4.46Å; F418-M490 HydrophobicContact CD1-SD 4.14Å; F418-M490 HydrophobicContact CE1-CB 4.22Å; F418-M490 HydrophobicContact CE1-SD 3.72Å; F418-M490 HydrophobicContact CZ-SD 4.34Å; H419-M490 PolarHBondContact N-O 3.32Å; V427-M490 HydrophobicContact CG1-CE 3.52Å; V427-M490 HydrophobicContact CG1-CG 3.83Å; M429-M490 HydrophobicContact CE-CB 4.06Å; M429-M490 HydrophobicContact CE-CG 3.89Å; M429-M490 HydrophobicContact CE-SD 3.45Å; M429-M490 WeakPolarHBondContact CE-SD 3.45Å; M429-M490 HydrophobicContact CG-CB 4.14Å; M429-M490 HydrophobicContact CG-CG 4.23Å; M450-M490 HydrophobicContact CE-CE 3.63Å; M450-M490 HydrophobicContact CE-SD 4.32Å; M490-M515 HydrophobicContact CE-CB 3.91Å; M490-M515 HydrophobicContact CE-CE 3.46Å; M490-M515 VanDerWaalsContact CE-CE 3.46Å; M490-F519 HydrophobicContact SD-CD2 4.07Å
491	E	98.3	Very high	96.5	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.028	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.1	-171.2	-67.2	-78.9	-175.3	0	0	108.9	H421 V427 F428 Y430 T489	H421-E491 HydrophobicContact CB-CB 4.13Å; H421-E491 IonicContact CD2-OE2 3.02Å; V427-E491 VanDerWaalsContact CA-O 3.28Å; V427-E491 WeakPolarHBondContact CA-O 3.41Å; V427-E491 WeakPolarHBondContact CG1-O 3.2Å; F428-E491 HydrophobicContact CD2-CB 3.85Å; F428-E491 HydrophobicContact CD2-CG 4.33Å; F428-E491 HydrophobicContact CE1-CB 4.48Å; F428-E491 HydrophobicContact CE2-CB 3.45Å; F428-E491 VanDerWaalsContact CE2-CB 3.45Å; F428-E491 HydrophobicContact CE2-CG 3.84Å; F428-E491 HydrophobicContact CZ-CB 3.8Å; F428-E491 PolarHBondContact N-O 2.86Å; F428-E491 PolarHBondContact O-N 3.03Å; Y430-E491 HydrophobicContact CD2-CG 3.7Å; Y430-E491 HydrophobicContact CE2-CG 3.66Å; Y430-E491 WeakPolarHBondContact CE2-OE1 3.44Å; Y430-E491 HydrophobicContact CG-CG 4.49Å; T489-E491 HydrophobicContact CG2-CG 4.16Å; T489-E491 WeakPolarHBondContact CG2-OE1 3.46Å
492	A	98.1	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.1	174.2	0	0	0	0	0	111.5	N328 M332 H419 G420 H421 V427 F512	N328-A492 HydrophobicContact CB-CB 4.39Å; N328-A492 VanDerWaalsContact ND2-C 3.3Å; N328-A492 WeakPolarHBondContact ND2-CB 3.5Å; N328-A492 PolarHBondContact ND2-O 3.06Å; M332-A492 HydrophobicContact CE-CB 3.5Å; M332-A492 VanDerWaalsContact CE-CB 3.5Å; M332-A492 HydrophobicContact SD-CB 3.66Å; H419-A492 PolarHBondContact O-N 3.39Å; G420-A492 CarbonylContact C-O 3.59Å; G420-A492 VanDerWaalsContact CA-O 3.29Å; G420-A492 WeakPolarHBondContact CA-O 3.29Å; H421-A492 PolarHBondContact N-O 2.77Å; V427-A492 HydrophobicContact CG1-CB 4.47Å; V427-A492 HydrophobicContact CG2-CB 4.08Å; A492-F512 HydrophobicContact CB-CD1 4.32Å; A492-F512 HydrophobicContact CB-CE1 4.18Å
493	T	97.6	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	151.8	170.2	-177.9	0	0	0	0	113	L186 N328 K424 N426 G495 G496 F507 F512	L186-T493 VanDerWaalsContact CD1-OG1 3.29Å; L186-T493 WeakPolarHBondContact CD1-OG1 3.33Å; N328-T493 PolarHBondContact ND2-O 2.88Å; K424-T493 VanDerWaalsContact O-CB 3.32Å; K424-T493 WeakPolarHBondContact O-CB 3.32Å; K424-T493 PolarHBondContact O-OG1 3.07Å; N426-T493 WeakPolarHBondContact O-CB 3.41Å; N426-T493 PolarHBondContact O-N 2.95Å; N426-T493 VanDerWaalsContact O-N 3.1Å; T493-G495 PolarHBondContact OG1-N 3.01Å; T493-G496 WeakPolarHBondContact CG2-O 3.3Å; T493-F507 HydrophobicContact CG2-CD2 3.43Å; T493-F507 VanDerWaalsContact CG2-CD2 3.43Å; T493-F507 HydrophobicContact CG2-CE2 3.48Å; T493-F507 VanDerWaalsContact CG2-CE2 3.48Å; T493-F507 HydrophobicContact CG2-CG 4.3Å; T493-F507 HydrophobicContact CG2-CZ 4.39Å; T493-F512 VanDerWaalsContact O-CE1 3.29Å; T493-F512 WeakPolarHBondContact O-CE1 3.28Å; T493-F512 WeakPolarHBondContact O-CZ 3.37Å
494	F	97	Very high	96.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-85.4	-17.1	163.7	-71.6	-80.8	0	0	0	113.2	L186 M191 R210 C256 G325 E326 Y372	L186-F494 HydrophobicContact CD1-CB 4.29Å; M191-F494 HydrophobicContact CE-CB 4.46Å; M191-F494 VanDerWaalsContact SD-C 3.54Å; M191-F494 HydrophobicContact SD-CB 3.7Å; R210-F494 PolarHBondContact NH2-O 3.09Å; C256-F494 HydrophobicContact CB-CD1 3.58Å; C256-F494 HydrophobicContact CB-CE1 3.97Å; G325-F494 WeakPolarHBondContact O-CE1 3.47Å; G325-F494 WeakPolarHBondContact O-CZ 3.34Å; E326-F494 HydrophobicContact CB-CZ 4.34Å; E326-F494 HydrophobicContact CG-CE2 4.44Å; E326-F494 HydrophobicContact CG-CZ 3.94Å; Y372-F494 HydrophobicContact CE2-CZ 4.43Å
495	G	95.9	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-87.6	-105.9	177.6	0	0	0	0	0	110.9	T493 F507	T493-G495 PolarHBondContact OG1-N 3.01Å; G495-F507 PolarHBondContact O-N 3.15Å
496	G	96.9	Very high	97	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-144.1	175.3	0	0	0	0	0	113.2	H425 N426 T493 T505	H425-G496 WeakPolarHBondContact CB-O 3.39Å; H425-G496 PolarHBondContact ND1-O 3.47Å; N426-G496 PolarHBondContact N-O 3.5Å; T493-G496 WeakPolarHBondContact CG2-O 3.3Å; G496-T505 CarbonylContact C-O 3.24Å; G496-T505 VanDerWaalsContact CA-O 3.28Å; G496-T505 WeakPolarHBondContact CA-O 3.44Å
497	S	97.6	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.4	-172.2	-174	0	0	0	0	113.7	N426 N456 L499 G504 T505	N426-S497 WeakPolarHBondContact OD1-CA 3.47Å; N426-S497 PolarHBondContact OD1-OG 3.48Å; N456-S497 WeakPolarHBondContact O-CB 3.43Å; N456-S497 PolarHBondContact O-OG 2.89Å; S497-L499 PolarHBondContact OG-N 3.3Å; S497-L499 PolarHBondContact OG-O 3.44Å; S497-G504 PolarHBondContact O-N 3.22Å; S497-T505 PolarHBondContact N-O 2.92Å
498	T	96.8	Very high	97.1	Very high	58 Å²	58	27.9 Å²	27.9	36%	0.356	15%	0.148	S	C	.	.			trans	-112.8	12	166.7	59.9	0	0	0	0	111.9	F63 H425 N426	F63-T498 HydrophobicContact CE2-CG2 4.21Å; H425-T498 HydrophobicContact CB-CG2 3.64Å; N426-T498 PolarHBondContact ND2-OG1 3.31Å; N426-T498 PolarHBondContact OD1-N 3.07Å; N426-T498 PolarHBondContact OD1-OG1 3.14Å
499	L	97.1	Very high	97.1	Very high	40 Å²	40	28.4 Å²	28.4	21%	0.209	15%	0.151	C	C	.	.	S	Bend	trans	-108.9	141	-172.9	-57.7	171.7	0	0	0	110.6	N426 S497 R502 K503	N426-L499 HydrophobicContact CB-CD1 4.08Å; N426-L499 WeakPolarHBondContact OD1-CG 3.38Å; S497-L499 PolarHBondContact OG-N 3.3Å; S497-L499 PolarHBondContact OG-O 3.44Å; L499-R502 CarbonylContact O-C 3.57Å; L499-R502 PolarHBondContact O-N 2.94Å; L499-K503 PolarHBondContact O-N 2.84Å
500	D	93.8	Very high	97	Very high	107 Å²	107	29.7 Å²	29.7	57%	0.572	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	43.2	-131.8	168.8	-55.3	-26.9	0	0	0	114.5	N456 R502 K503	N456-D500 HydrophobicContact CB-CB 4.17Å; D500-R502 VanDerWaalsContact C-N 3.27Å; D500-R502 PolarHBondContact O-N 2.62Å; D500-K503 WeakPolarHBondContact O-CB 3.5Å; D500-K503 PolarHBondContact O-N 2.92Å
501	D	93.2	Very high	97	Very high	127 Å²	127	30.2 Å²	30.2	68%	0.679	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-68	-21	-177.2	63.6	-20.1	0	0	0	113.7	N456	N456-D501 WeakPolarHBondContact CB-OD1 3.36Å; N456-D501 PolarHBondContact ND2-OD1 2.79Å; N456-D501 PolarHBondContact ND2-OD2 2.81Å
502	R	94.4	Very high	97	Very high	35 Å²	35	30 Å²	30	13%	0.132	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-91.4	4.6	175.8	-65.2	-69.1	-64.2	-175.9	3.6	113.3	N456 L499 D500 G504 T505 H506 D511	N456-R502 HydrophobicContact CB-CB 4.26Å; N456-R502 HydrophobicContact CB-CG 3.98Å; N456-R502 WeakPolarHBondContact ND2-CG 3.33Å; L499-R502 CarbonylContact O-C 3.57Å; L499-R502 PolarHBondContact O-N 2.94Å; D500-R502 VanDerWaalsContact C-N 3.27Å; D500-R502 PolarHBondContact O-N 2.62Å; R502-G504 PolarHBondContact O-N 2.97Å; R502-T505 PolarHBondContact NE-OG1 2.96Å; R502-T505 PolarHBondContact O-N 3.31Å; R502-T505 PolarHBondContact O-OG1 2.82Å; R502-H506 PolarHBondContact NH2-O 3.46Å; R502-H506 VanDerWaalsContact NH2-O 3.14Å; R502-D511 IonicContact CZ-OD1 3.65Å; R502-D511 IonicContact CZ-OD2 3.5Å; R502-D511 IonicContact NE-OD1 3.8Å; R502-D511 IonicContact NH2-OD1 2.87Å; R502-D511 IonicContact NH2-OD2 3.54Å; R502-D511 PolarHBondContact NH2-OD2 3.34Å
503	K	96.7	Very high	97.1	Very high	155 Å²	155	32.2 Å²	32.2	67%	0.674	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	122.7	-174.9	-179.9	177.5	179.8	-176.5	0	112.2	L499 D500	L499-K503 PolarHBondContact O-N 2.84Å; D500-K503 WeakPolarHBondContact O-CB 3.5Å; D500-K503 PolarHBondContact O-N 2.92Å
504	G	96.9	Very high	97.1	Very high	25 Å²	25	33.5 Å²	33.5	26%	0.258	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	17.4	176.3	0	0	0	0	0	113.9	F63 S497 R502	F63-G504 WeakPolarHBondContact CG-O 3.28Å; F63-G504 PolarHBondContact N-O 3.48Å; S497-G504 PolarHBondContact O-N 3.22Å; R502-G504 PolarHBondContact O-N 2.97Å
505	T	97.9	Very high	97.2	Very high	20 Å²	20	33.5 Å²	33.5	12%	0.123	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.6	179.8	67.3	0	0	0	0	111	P60 E61 F63 G496 S497 R502	P60-T505 HydrophobicContact CB-CG2 3.72Å; E61-T505 CarbonylContact O-C 3.2Å; E61-T505 WeakPolarHBondContact O-CA 3.45Å; F63-T505 WeakPolarHBondContact CE1-O 3.38Å; F63-T505 WeakPolarHBondContact CZ-O 3.47Å; G496-T505 CarbonylContact C-O 3.24Å; G496-T505 VanDerWaalsContact CA-O 3.28Å; G496-T505 WeakPolarHBondContact CA-O 3.44Å; S497-T505 PolarHBondContact N-O 2.92Å; R502-T505 PolarHBondContact NE-OG1 2.96Å; R502-T505 PolarHBondContact O-N 3.31Å; R502-T505 PolarHBondContact O-OG1 2.82Å
506	H	98.6	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	150.3	176	-67.9	91.8	0	0	0	111.3	E61 P62 F63 G190 M191 R192 R210 R502	E61-H506 HydrophobicContact CB-CB 4.44Å; E61-H506 PolarHBondContact O-N 2.95Å; E61-H506 PolarHBondContact O-ND1 3.05Å; E61-H506 VanDerWaalsContact O-ND1 3.08Å; P62-H506 PolarHBondContact O-CE1 2.99Å; P62-H506 PolarHBondContact O-ND1 3.32Å; F63-H506 AromaticContact CD1-CE1 3.71Å; F63-H506 AromaticContact CD1-CG 3.96Å; F63-H506 AromaticContact CD1-ND1 3.75Å; F63-H506 AromaticContact CD1-NE2 3.87Å; G190-H506 PolarHBondContact O-NE2 3.2Å; M191-H506 WeakPolarHBondContact CA-NE2 3.5Å; R192-H506 PolarHBondContact N-NE2 3.01Å; R210-H506 HydrophobicContact CG-CB 4.03Å; R210-H506 PolarHBondContact NE-CD2 3.03Å; R502-H506 PolarHBondContact NH2-O 3.46Å; R502-H506 VanDerWaalsContact NH2-O 3.14Å
507	F	98.3	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.			trans	-76.5	139.6	165.3	-73.3	-10.9	0	0	0	111.2	R210 Y257 V427 K457 T493 G495 D511 F512	R210-F507 PolarHBondContact NH2-O 3.36Å; Y257-F507 WeakPolarHBondContact CE2-O 3.32Å; Y257-F507 PolarHBondContact OH-O 2.93Å; V427-F507 HydrophobicContact CG2-CE2 3.75Å; V427-F507 HydrophobicContact CG2-CZ 4.48Å; K457-F507 HydrophobicContact CB-CE1 4.42Å; K457-F507 HydrophobicContact CB-CZ 3.83Å; K457-F507 HydrophobicContact CD-CE1 4.4Å; K457-F507 HydrophobicContact CD-CZ 4.4Å; K457-F507 HydrophobicContact CG-CE1 3.8Å; K457-F507 HydrophobicContact CG-CZ 3.7Å; T493-F507 HydrophobicContact CG2-CD2 3.43Å; T493-F507 VanDerWaalsContact CG2-CD2 3.43Å; T493-F507 HydrophobicContact CG2-CE2 3.48Å; T493-F507 VanDerWaalsContact CG2-CE2 3.48Å; T493-F507 HydrophobicContact CG2-CG 4.3Å; T493-F507 HydrophobicContact CG2-CZ 4.39Å; G495-F507 PolarHBondContact O-N 3.15Å; F507-D511 VanDerWaalsContact CA-OD2 3.3Å; F507-D511 WeakPolarHBondContact CA-OD2 3.18Å; F507-D511 HydrophobicContact CB-CB 3.91Å; F507-D511 HydrophobicContact CD1-CB 3.86Å; F507-D511 HydrophobicContact CG-CB 3.9Å; F507-F512 HydrophobicContact CB-CD1 4.46Å; F507-F512 HydrophobicContact CB-CE1 3.9Å; F507-F512 HydrophobicContact CB-CE2 4.09Å; F507-F512 HydrophobicContact CB-CZ 3.68Å; F507-F512 HydrophobicContact CD2-CD1 4.13Å; F507-F512 AromaticContact CD2-CE1 3.63Å; F507-F512 HydrophobicContact CD2-CE1 3.63Å; F507-F512 HydrophobicContact CD2-CZ 4.23Å; F507-F512 HydrophobicContact CG-CE1 4.27Å
508	T	98.2	Very high	97.4	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	21%	0.212	C	C	.	.			trans	-97.8	178.9	170.1	68.2	0	0	0	0	110.7	E56 P57 G510 D511 F512	E56-T508 WeakPolarHBondContact OE2-CB 2.93Å; E56-T508 PolarHBondContact OE2-OG1 2.89Å; P57-T508 HydrophobicContact CG-CG2 3.52Å; T508-G510 VanDerWaalsContact C-N 3.28Å; T508-G510 PolarHBondContact OG1-N 2.89Å; T508-D511 PolarHBondContact N-OD2 3.39Å; T508-D511 PolarHBondContact O-N 3.27Å; T508-D511 PolarHBondContact OG1-N 3.04Å; T508-D511 VanDerWaalsContact OG1-N 3.14Å; T508-D511 PolarHBondContact OG1-OD2 2.89Å; T508-F512 WeakPolarHBondContact O-CD2 3.1Å; T508-F512 PolarHBondContact O-N 3.46Å
509	T	98.1	Very high	97.5	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.08	20%	0.195	C	C	.	.	H	α-helix	trans	-67.3	-34.2	174.3	70.5	0	0	0	0	111.3	E56 Y257 W331 F512 K513	E56-T509 WeakPolarHBondContact OE1-CA 3.48Å; E56-T509 WeakPolarHBondContact OE1-CB 3.31Å; E56-T509 PolarHBondContact OE1-N 2.93Å; E56-T509 PolarHBondContact OE1-OG1 3.4Å; Y257-T509 HydrophobicContact CD1-CG2 3.66Å; Y257-T509 HydrophobicContact CD2-CG2 3.95Å; Y257-T509 HydrophobicContact CE1-CG2 4.22Å; Y257-T509 HydrophobicContact CE2-CG2 4.46Å; Y257-T509 HydrophobicContact CG-CG2 3.51Å; W331-T509 HydrophobicContact CD2-CG2 3.81Å; W331-T509 HydrophobicContact CE3-CG2 4.09Å; W331-T509 HydrophobicContact CG-CG2 4.38Å; W331-T509 HydrophobicContact CH2-CG2 3.99Å; W331-T509 HydrophobicContact CZ2-CG2 3.74Å; W331-T509 HydrophobicContact CZ3-CG2 4.17Å; T509-F512 PolarHBondContact O-N 3.01Å; T509-K513 WeakPolarHBondContact O-CG 3.25Å; T509-K513 PolarHBondContact O-N 3.38Å
510	G	98.1	Very high	97.6	Very high	28 Å²	28	35.2 Å²	35.2	29%	0.289	19%	0.185	S	C	.	.	H	α-helix	trans	-61.7	-43.1	172.9	0	0	0	0	0	112.7	E56 T508 F512 K513 S514	E56-G510 VanDerWaalsContact CD-N 3.26Å; E56-G510 PolarHBondContact OE1-N 3.39Å; E56-G510 PolarHBondContact OE2-N 3.47Å; T508-G510 VanDerWaalsContact C-N 3.28Å; T508-G510 PolarHBondContact OG1-N 2.89Å; G510-F512 VanDerWaalsContact C-N 3.33Å; G510-F512 PolarHBondContact O-N 3Å; G510-K513 PolarHBondContact O-N 3.19Å; G510-S514 WeakPolarHBondContact O-CB 3.24Å; G510-S514 PolarHBondContact O-N 2.81Å
511	D	98.3	Very high	97.8	Very high	12 Å²	12	32 Å²	32	6%	0.064	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-43.5	173.5	-74.1	-53.3	0	0	0	111.8	K457 R502 F507 T508 S514 M515	K457-D511 WeakPolarHBondContact CE-OD1 3.18Å; K457-D511 IonicContact NZ-OD1 3.2Å; R502-D511 IonicContact CZ-OD1 3.65Å; R502-D511 IonicContact CZ-OD2 3.5Å; R502-D511 IonicContact NE-OD1 3.8Å; R502-D511 IonicContact NH2-OD1 2.87Å; R502-D511 IonicContact NH2-OD2 3.54Å; R502-D511 PolarHBondContact NH2-OD2 3.34Å; F507-D511 VanDerWaalsContact CA-OD2 3.3Å; F507-D511 WeakPolarHBondContact CA-OD2 3.18Å; F507-D511 HydrophobicContact CB-CB 3.91Å; F507-D511 HydrophobicContact CD1-CB 3.86Å; F507-D511 HydrophobicContact CG-CB 3.9Å; T508-D511 PolarHBondContact N-OD2 3.39Å; T508-D511 PolarHBondContact O-N 3.27Å; T508-D511 PolarHBondContact OG1-N 3.04Å; T508-D511 VanDerWaalsContact OG1-N 3.14Å; T508-D511 PolarHBondContact OG1-OD2 2.89Å; D511-S514 PolarHBondContact O-N 2.96Å; D511-S514 PolarHBondContact O-OG 3.41Å; D511-M515 PolarHBondContact O-N 2.73Å
512	F	98.6	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.3	-46.9	176.3	-66.5	-53.5	0	0	0	111.6	Y257 N328 W331 M332 A492 T493 F507 T508 T509 G510 S514 M515	Y257-F512 HydrophobicContact CD2-CE2 4.11Å; Y257-F512 HydrophobicContact CE2-CE2 4.34Å; N328-F512 HydrophobicContact CB-CD1 3.8Å; N328-F512 HydrophobicContact CB-CD2 4.18Å; N328-F512 HydrophobicContact CB-CE1 3.49Å; N328-F512 VanDerWaalsContact CB-CE1 3.49Å; N328-F512 HydrophobicContact CB-CE2 3.92Å; N328-F512 HydrophobicContact CB-CG 4.15Å; N328-F512 HydrophobicContact CB-CZ 3.57Å; W331-F512 HydrophobicContact CB-CB 3.5Å; W331-F512 VanDerWaalsContact CB-CB 3.5Å; W331-F512 HydrophobicContact CB-CD2 4.21Å; W331-F512 HydrophobicContact CB-CG 4.18Å; M332-F512 WeakPolarHBondContact CA-O 3.43Å; M332-F512 HydrophobicContact CG-CB 4.25Å; M332-F512 WeakPolarHBondContact CG-O 3.44Å; A492-F512 HydrophobicContact CB-CD1 4.32Å; A492-F512 HydrophobicContact CB-CE1 4.18Å; T493-F512 VanDerWaalsContact O-CE1 3.29Å; T493-F512 WeakPolarHBondContact O-CE1 3.28Å; T493-F512 WeakPolarHBondContact O-CZ 3.37Å; F507-F512 HydrophobicContact CB-CD1 4.46Å; F507-F512 HydrophobicContact CB-CE1 3.9Å; F507-F512 HydrophobicContact CB-CE2 4.09Å; F507-F512 HydrophobicContact CB-CZ 3.68Å; F507-F512 HydrophobicContact CD2-CD1 4.13Å; F507-F512 AromaticContact CD2-CE1 3.63Å; F507-F512 HydrophobicContact CD2-CE1 3.63Å; F507-F512 HydrophobicContact CD2-CZ 4.23Å; F507-F512 HydrophobicContact CG-CE1 4.27Å; T508-F512 WeakPolarHBondContact O-CD2 3.1Å; T508-F512 PolarHBondContact O-N 3.46Å; T509-F512 PolarHBondContact O-N 3.01Å; G510-F512 VanDerWaalsContact C-N 3.33Å; G510-F512 PolarHBondContact O-N 3Å; F512-S514 VanDerWaalsContact C-N 3.27Å; F512-S514 PolarHBondContact O-N 3.03Å; F512-M515 WeakPolarHBondContact O-CB 3.43Å; F512-M515 PolarHBondContact O-N 2.91Å
513	K	98.7	Very high	98.2	Very high	47 Å²	47	24.3 Å²	24.3	20%	0.204	13%	0.129	C	C	.	.	H	α-helix	trans	-58	-40.6	176	-73.9	-175.2	175.1	-150.7	0	111.7	W331 E334 G335 D338 T509 G510 M515 G516 F517	W331-K513 WeakPolarHBondContact O-CA 3.2Å; W331-K513 WeakPolarHBondContact O-CG 3.46Å; E334-K513 WeakPolarHBondContact OE1-CE 3.5Å; E334-K513 IonicContact OE1-NZ 3.8Å; E334-K513 PolarHBondContact OE1-NZ 3.37Å; G335-K513 WeakPolarHBondContact CA-O 3.36Å; D338-K513 IonicContact OD2-NZ 3.02Å; D338-K513 PolarHBondContact OD2-NZ 2.75Å; T509-K513 WeakPolarHBondContact O-CG 3.25Å; T509-K513 PolarHBondContact O-N 3.38Å; G510-K513 PolarHBondContact O-N 3.19Å; K513-M515 PolarHBondContact O-N 2.74Å; K513-G516 WeakPolarHBondContact O-CA 3.4Å; K513-G516 PolarHBondContact O-N 2.73Å; K513-F517 PolarHBondContact O-N 3.28Å
514	S	98.3	Very high	98.2	Very high	27 Å²	27	18.5 Å²	18.5	19%	0.189	11%	0.105	C	C	.	.	H	α-helix	trans	-59	-30	177.3	79.9	0	0	0	0	112.8	K457 G510 D511 F512 G516 F517 Y518	K457-S514 WeakPolarHBondContact CE-OG 3.39Å; G510-S514 WeakPolarHBondContact O-CB 3.24Å; G510-S514 PolarHBondContact O-N 2.81Å; D511-S514 PolarHBondContact O-N 2.96Å; D511-S514 PolarHBondContact O-OG 3.41Å; F512-S514 VanDerWaalsContact C-N 3.27Å; F512-S514 PolarHBondContact O-N 3.03Å; S514-G516 VanDerWaalsContact C-N 3.32Å; S514-G516 PolarHBondContact O-N 3.28Å; S514-F517 WeakPolarHBondContact O-CB 3.32Å; S514-F517 PolarHBondContact O-N 2.85Å; S514-Y518 WeakPolarHBondContact O-CD2 3.42Å; S514-Y518 PolarHBondContact O-N 2.89Å
515	M	98.7	Very high	98.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.3	-29	175.3	-66.2	-57.5	-45	0	0	113.2	M332 V427 M450 A454 K457 F458 M490 D511 F512 K513 Y518 F519	M332-M515 HydrophobicContact CG-CB 4.07Å; M332-M515 HydrophobicContact SD-CB 4.01Å; V427-M515 HydrophobicContact CB-CE 4.16Å; V427-M515 HydrophobicContact CG1-CE 4.14Å; V427-M515 HydrophobicContact CG2-CE 4.37Å; V427-M515 HydrophobicContact CG2-CG 3.97Å; V427-M515 HydrophobicContact CG2-SD 4.22Å; M450-M515 HydrophobicContact CE-CE 3.76Å; A454-M515 HydrophobicContact CB-CE 3.96Å; A454-M515 HydrophobicContact CB-SD 4.04Å; K457-M515 HydrophobicContact CB-SD 3.51Å; K457-M515 VanDerWaalsContact CB-SD 3.51Å; K457-M515 HydrophobicContact CD-CG 4.42Å; K457-M515 HydrophobicContact CD-SD 3.83Å; K457-M515 HydrophobicContact CG-SD 4.29Å; F458-M515 HydrophobicContact CB-CE 4.19Å; F458-M515 HydrophobicContact CD2-CE 3.95Å; M490-M515 HydrophobicContact CE-CB 3.91Å; M490-M515 HydrophobicContact CE-CE 3.46Å; M490-M515 VanDerWaalsContact CE-CE 3.46Å; D511-M515 PolarHBondContact O-N 2.73Å; F512-M515 WeakPolarHBondContact O-CB 3.43Å; F512-M515 PolarHBondContact O-N 2.91Å; K513-M515 PolarHBondContact O-N 2.74Å; M515-Y518 HydrophobicContact SD-CD2 4.18Å; M515-F519 WeakPolarHBondContact O-CB 3.41Å; M515-F519 PolarHBondContact O-N 2.87Å; M515-F519 VanDerWaalsContact O-N 3.11Å
516	G	98.4	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.5	-39.2	169.9	0	0	0	0	0	112.4	M332 K513 S514 F519 C520	M332-G516 WeakPolarHBondContact O-CA 3.28Å; K513-G516 WeakPolarHBondContact O-CA 3.4Å; K513-G516 PolarHBondContact O-N 2.73Å; S514-G516 VanDerWaalsContact C-N 3.32Å; S514-G516 PolarHBondContact O-N 3.28Å; G516-F519 WeakPolarHBondContact O-CB 3.31Å; G516-F519 PolarHBondContact O-N 2.99Å; G516-C520 PolarHBondContact O-N 2.93Å; G516-C520 PolarHBondContact O-SG 3.03Å; G516-C520 VanDerWaalsContact O-SG 3.39Å
517	F	98.2	Very high	97.8	Very high	80 Å²	80	20.8 Å²	20.8	35%	0.351	11%	0.112	S	C	.	.	H	α-helix	trans	-59.9	-54.3	169.8	164.7	-91.7	0	0	0	111.5	F339 K513 S514 F519 C520 D521	F339-F517 AromaticContact CD2-CD2 3.39Å; F339-F517 HydrophobicContact CD2-CD2 3.39Å; F339-F517 AromaticContact CD2-CE2 3.74Å; F339-F517 HydrophobicContact CD2-CE2 3.74Å; F339-F517 AromaticContact CE2-CD2 3.62Å; F339-F517 HydrophobicContact CE2-CD2 3.62Å; F339-F517 AromaticContact CE2-CE2 3.45Å; F339-F517 HydrophobicContact CE2-CE2 3.45Å; F339-F517 VanDerWaalsContact CE2-CE2 3.45Å; F339-F517 HydrophobicContact CG-CD2 4.04Å; F339-F517 HydrophobicContact CZ-CD2 4.44Å; F339-F517 HydrophobicContact CZ-CE2 4.2Å; K513-F517 PolarHBondContact O-N 3.28Å; S514-F517 WeakPolarHBondContact O-CB 3.32Å; S514-F517 PolarHBondContact O-N 2.85Å; F517-F519 PolarHBondContact O-N 2.73Å; F517-F519 VanDerWaalsContact O-N 3.13Å; F517-C520 WeakPolarHBondContact O-CA 3.41Å; F517-C520 WeakPolarHBondContact O-CB 3.46Å; F517-C520 PolarHBondContact O-N 3.39Å; F517-D521 HydrophobicContact CE1-CB 4.29Å; F517-D521 HydrophobicContact CZ-CB 4.35Å; F517-D521 PolarHBondContact O-N 3.16Å
518	Y	98.6	Very high	97.5	Very high	55 Å²	55	23.4 Å²	23.4	22%	0.216	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-28.1	-178.4	-73.7	-57.3	0	0	0	113.3	N453 A454 S514 M515 T522	N453-Y518 HydrophobicContact CB-CD1 4.17Å; N453-Y518 WeakPolarHBondContact O-CD1 3.23Å; N453-Y518 WeakPolarHBondContact O-CE1 3.31Å; A454-Y518 HydrophobicContact CB-CD1 4.3Å; A454-Y518 HydrophobicContact CB-CD2 3.61Å; A454-Y518 HydrophobicContact CB-CE2 4.05Å; A454-Y518 HydrophobicContact CB-CG 3.76Å; S514-Y518 WeakPolarHBondContact O-CD2 3.42Å; S514-Y518 PolarHBondContact O-N 2.89Å; M515-Y518 HydrophobicContact SD-CD2 4.18Å; Y518-T522 VanDerWaalsContact O-CB 3.25Å; Y518-T522 WeakPolarHBondContact O-CB 3.11Å; Y518-T522 PolarHBondContact O-N 2.79Å; Y518-T522 PolarHBondContact O-OG1 3.21Å
519	F	98.8	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-41.7	172.5	-174.9	-82.9	0	0	0	112.2	V318 F336 L414 C416 F418 M429 F446 M450 M490 M515 G516 F517 L523	V318-F519 HydrophobicContact CG2-CE1 4.08Å; V318-F519 HydrophobicContact CG2-CZ 4.31Å; F336-F519 AromaticContact CD2-CD1 3.79Å; F336-F519 HydrophobicContact CD2-CD1 3.79Å; F336-F519 HydrophobicContact CD2-CE1 4.39Å; F336-F519 AromaticContact CE2-CD1 3.58Å; F336-F519 HydrophobicContact CE2-CD1 3.58Å; F336-F519 AromaticContact CE2-CE1 3.83Å; F336-F519 HydrophobicContact CE2-CE1 3.83Å; L414-F519 HydrophobicContact CD2-CE1 4.29Å; L414-F519 HydrophobicContact CD2-CE2 4.24Å; L414-F519 HydrophobicContact CD2-CZ 3.45Å; L414-F519 VanDerWaalsContact CD2-CZ 3.45Å; C416-F519 HydrophobicContact CB-CE2 3.67Å; C416-F519 HydrophobicContact CB-CZ 3.63Å; F418-F519 HydrophobicContact CE1-CD2 4.05Å; F418-F519 HydrophobicContact CE1-CE2 4.07Å; F418-F519 HydrophobicContact CZ-CD2 4.17Å; F418-F519 HydrophobicContact CZ-CE2 4.48Å; F418-F519 HydrophobicContact CZ-CG 4.19Å; M429-F519 HydrophobicContact CE-CD2 3.94Å; M429-F519 HydrophobicContact CE-CE2 3.97Å; F446-F519 HydrophobicContact CE1-CD2 4.03Å; F446-F519 AromaticContact CE1-CE2 3.9Å; F446-F519 HydrophobicContact CE1-CE2 3.9Å; F446-F519 HydrophobicContact CZ-CD2 4.07Å; F446-F519 AromaticContact CZ-CE2 3.98Å; F446-F519 HydrophobicContact CZ-CE2 3.98Å; F446-F519 HydrophobicContact CZ-CG 4.45Å; F446-F519 HydrophobicContact CZ-CZ 4.31Å; M450-F519 HydrophobicContact CE-CB 4.29Å; M450-F519 HydrophobicContact SD-CB 4.4Å; M490-F519 HydrophobicContact SD-CD2 4.07Å; M515-F519 WeakPolarHBondContact O-CB 3.41Å; M515-F519 PolarHBondContact O-N 2.87Å; M515-F519 VanDerWaalsContact O-N 3.11Å; G516-F519 WeakPolarHBondContact O-CB 3.31Å; G516-F519 PolarHBondContact O-N 2.99Å; F517-F519 PolarHBondContact O-N 2.73Å; F517-F519 VanDerWaalsContact O-N 3.13Å; F519-L523 WeakPolarHBondContact O-CB 3.41Å; F519-L523 PolarHBondContact O-N 2.9Å; F519-L523 VanDerWaalsContact O-N 3.09Å
520	C	98.6	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.2	-44.1	176.3	-61.4	0	0	0	0	111.9	F336 F339 L350 G516 F517 T522 L523 L524	F336-C520 WeakPolarHBondContact CD2-SG 3.3Å; F336-C520 WeakPolarHBondContact CE2-SG 3.46Å; F339-C520 HydrophobicContact CD1-CB 3.19Å; F339-C520 HydrophobicContact CE1-CB 3.39Å; F339-C520 HydrophobicContact CG-CB 4.18Å; F339-C520 HydrophobicContact CZ-CB 4.49Å; L350-C520 HydrophobicContact CD1-CB 3.7Å; G516-C520 PolarHBondContact O-N 2.93Å; G516-C520 PolarHBondContact O-SG 3.03Å; G516-C520 VanDerWaalsContact O-SG 3.39Å; F517-C520 WeakPolarHBondContact O-CA 3.41Å; F517-C520 WeakPolarHBondContact O-CB 3.46Å; F517-C520 PolarHBondContact O-N 3.39Å; C520-T522 VanDerWaalsContact C-N 3.35Å; C520-T522 PolarHBondContact O-N 3.2Å; C520-L523 WeakPolarHBondContact O-CA 3.28Å; C520-L523 VanDerWaalsContact O-CB 3.31Å; C520-L523 WeakPolarHBondContact O-CB 3.25Å; C520-L523 PolarHBondContact O-N 3.05Å; C520-L524 PolarHBondContact O-N 2.95Å; C520-L524 VanDerWaalsContact O-N 3.08Å
521	D	97.7	Very high	96.8	Very high	39 Å²	39	36.3 Å²	36.3	21%	0.209	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-45.6	175.1	179	63.7	0	0	0	111.5	N453 F517 L523 L524 D525	N453-D521 PolarHBondContact ND2-OD2 3.08Å; F517-D521 HydrophobicContact CE1-CB 4.29Å; F517-D521 HydrophobicContact CZ-CB 4.35Å; F517-D521 PolarHBondContact O-N 3.16Å; D521-L523 VanDerWaalsContact C-N 3.25Å; D521-L523 PolarHBondContact O-N 3.47Å; D521-L524 WeakPolarHBondContact O-CB 3.05Å; D521-L524 PolarHBondContact O-N 3.35Å; D521-D525 PolarHBondContact O-N 3.17Å
522	T	98.4	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-29.7	174.4	-58.5	0	0	0	0	112.4	F446 M449 M450 N453 Y518 C520 D525 F526	F446-T522 HydrophobicContact CD1-CG2 4.47Å; F446-T522 HydrophobicContact CD2-CG2 4.01Å; F446-T522 HydrophobicContact CE1-CG2 4.23Å; F446-T522 HydrophobicContact CE2-CG2 3.77Å; F446-T522 HydrophobicContact CG-CG2 4.35Å; F446-T522 HydrophobicContact CZ-CG2 3.88Å; M449-T522 HydrophobicContact CB-CG2 3.57Å; M450-T522 HydrophobicContact CG-CG2 3.88Å; M450-T522 VanDerWaalsContact SD-CB 3.55Å; M450-T522 HydrophobicContact SD-CG2 3.99Å; M450-T522 PolarHBondContact SD-OG1 2.84Å; N453-T522 PolarHBondContact ND2-OG1 3.24Å; Y518-T522 VanDerWaalsContact O-CB 3.25Å; Y518-T522 WeakPolarHBondContact O-CB 3.11Å; Y518-T522 PolarHBondContact O-N 2.79Å; Y518-T522 PolarHBondContact O-OG1 3.21Å; C520-T522 VanDerWaalsContact C-N 3.35Å; C520-T522 PolarHBondContact O-N 3.2Å; T522-D525 PolarHBondContact O-N 2.7Å; T522-F526 WeakPolarHBondContact O-CB 3.49Å; T522-F526 PolarHBondContact O-N 3.22Å
523	L	97.8	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-37.1	176.2	-177.5	66.4	0	0	0	111.9	V316 L350 F354 F356 F446 F519 C520 D521 F526 C527	V316-L523 HydrophobicContact CG2-CD1 4.22Å; V316-L523 HydrophobicContact CG2-CD2 3.87Å; L350-L523 HydrophobicContact CD2-CB 4.38Å; L350-L523 HydrophobicContact CD2-CD2 3.85Å; L350-L523 HydrophobicContact CD2-CG 4.06Å; F354-L523 HydrophobicContact CD2-CD2 4.34Å; F354-L523 HydrophobicContact CE2-CD2 4.31Å; F354-L523 HydrophobicContact CE2-CG 4.28Å; F354-L523 HydrophobicContact CZ-CD1 4.44Å; F354-L523 HydrophobicContact CZ-CG 4.43Å; F356-L523 HydrophobicContact CE1-CD2 3.65Å; F356-L523 HydrophobicContact CZ-CD2 3.76Å; F446-L523 HydrophobicContact CE2-CB 4.38Å; F446-L523 HydrophobicContact CE2-CD1 4.4Å; F519-L523 WeakPolarHBondContact O-CB 3.41Å; F519-L523 PolarHBondContact O-N 2.9Å; F519-L523 VanDerWaalsContact O-N 3.09Å; C520-L523 WeakPolarHBondContact O-CA 3.28Å; C520-L523 VanDerWaalsContact O-CB 3.31Å; C520-L523 WeakPolarHBondContact O-CB 3.25Å; C520-L523 PolarHBondContact O-N 3.05Å; D521-L523 VanDerWaalsContact C-N 3.25Å; D521-L523 PolarHBondContact O-N 3.47Å; L523-F526 PolarHBondContact O-N 2.64Å; L523-C527 WeakPolarHBondContact O-CB 3.41Å; L523-C527 PolarHBondContact O-N 3.08Å
524	L	96.5	Very high	96.2	Very high	33 Å²	33	43.7 Å²	43.7	17%	0.173	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-51	171.5	-71.6	164.8	0	0	0	110.3	D346 V349 L350 C520 D521 F526 C527 D528	D346-L524 HydrophobicContact CB-CD1 3.65Å; V349-L524 HydrophobicContact CB-CD2 4.23Å; V349-L524 HydrophobicContact CG1-CD2 3.73Å; L350-L524 HydrophobicContact CD1-CG 4.31Å; L350-L524 HydrophobicContact CD2-CD2 3.62Å; L350-L524 HydrophobicContact CD2-CG 3.78Å; L350-L524 HydrophobicContact CG-CD1 4.42Å; L350-L524 HydrophobicContact CG-CD2 3.72Å; L350-L524 HydrophobicContact CG-CG 3.91Å; C520-L524 PolarHBondContact O-N 2.95Å; C520-L524 VanDerWaalsContact O-N 3.08Å; D521-L524 WeakPolarHBondContact O-CB 3.05Å; D521-L524 PolarHBondContact O-N 3.35Å; L524-F526 VanDerWaalsContact C-N 3.34Å; L524-F526 PolarHBondContact O-N 3.01Å; L524-C527 PolarHBondContact O-N 3.46Å; L524-D528 PolarHBondContact O-N 2.95Å
525	D	95.9	Very high	96	Very high	25 Å²	25	44.9 Å²	44.9	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-40.1	177.5	-76.5	-28.2	0	0	0	113.5	N453 D521 T522 K533	N453-D525 PolarHBondContact ND2-OD2 3.1Å; D521-D525 PolarHBondContact O-N 3.17Å; T522-D525 PolarHBondContact O-N 2.7Å; D525-K533 HydrophobicContact CB-CD 4.26Å; D525-K533 IonicContact OD1-NZ 2.71Å; D525-K533 PolarHBondContact OD1-NZ 2.83Å
526	F	96.1	Very high	95.8	Very high	27 Å²	27	50.5 Å²	50.5	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-73.7	-30.9	-174.7	-178.2	-111.5	0	0	0	112.6	V445 F446 M449 T522 L523 L524 V534	V445-F526 HydrophobicContact CB-CE2 4.23Å; V445-F526 HydrophobicContact CG1-CD2 4.19Å; V445-F526 HydrophobicContact CG1-CE2 4.06Å; F446-F526 HydrophobicContact CB-CD2 4.08Å; F446-F526 HydrophobicContact CB-CE2 4.05Å; F446-F526 HydrophobicContact CB-CG 4.43Å; F446-F526 HydrophobicContact CB-CZ 4.37Å; F446-F526 HydrophobicContact CD2-CB 3.8Å; F446-F526 AromaticContact CD2-CD1 3.78Å; F446-F526 HydrophobicContact CD2-CD1 3.78Å; F446-F526 HydrophobicContact CD2-CD2 4.11Å; F446-F526 HydrophobicContact CD2-CE1 4.36Å; F446-F526 AromaticContact CD2-CG 3.63Å; F446-F526 HydrophobicContact CD2-CG 3.63Å; F446-F526 HydrophobicContact CE2-CB 4.23Å; F446-F526 HydrophobicContact CE2-CD1 4.48Å; F446-F526 HydrophobicContact CE2-CG 4.44Å; M449-F526 HydrophobicContact SD-CB 4.08Å; M449-F526 HydrophobicContact SD-CD2 3.89Å; T522-F526 WeakPolarHBondContact O-CB 3.49Å; T522-F526 PolarHBondContact O-N 3.22Å; L523-F526 PolarHBondContact O-N 2.64Å; L524-F526 VanDerWaalsContact C-N 3.34Å; L524-F526 PolarHBondContact O-N 3.01Å; F526-V534 HydrophobicContact CD2-CG2 4.35Å
527	C	93.1	Very high	95.6	Very high	41 Å²	41	50.8 Å²	50.8	28%	0.277	27%	0.272	S	S	.	.	H	α-helix	trans	-107.7	10	-178	-64.3	0	0	0	0	113.6	F354 L523 L524	F354-C527 HydrophobicContact CE2-CB 4.34Å; F354-C527 HydrophobicContact CZ-CB 3.58Å; L523-C527 WeakPolarHBondContact O-CB 3.41Å; L523-C527 PolarHBondContact O-N 3.08Å; L524-C527 PolarHBondContact O-N 3.46Å
528	D	93.3	Very high	95.3	Very high	55 Å²	55	49.3 Å²	49.3	29%	0.294	27%	0.268	S	S	.	.			trans	-54.5	131.2	174.6	-165	-47.4	0	0	0	110.3	L524 D530 Q531	L524-D528 PolarHBondContact O-N 2.95Å; D528-D530 CarbonylContact O-C 3.57Å; D528-D530 PolarHBondContact O-N 3.39Å; D528-D530 WeakPolarHBondContact OD1-CA 3.23Å; D528-D530 WeakPolarHBondContact OD1-CB 3.44Å; D528-D530 PolarHBondContact OD1-N 2.85Å; D528-Q531 PolarHBondContact O-NE2 2.78Å
529	P	91.3	Very high	95.1	Very high	130 Å²	130	51.2 Å²	51.2	84%	0.844	29%	0.285	S	S	*	.	S	Bend	trans	-52.6	-32.4	172.5	-26.8	35.4	0	0	0	113.4	Q531	P529-Q531 PolarHBondContact O-N 2.84Å
530	D	94	Very high	94.8	Very high	93 Å²	93	53.9 Å²	53.9	50%	0.497	30%	0.297	S	S	.	.			trans	-77.1	101.6	166.9	-176.9	3.8	0	0	0	111	D528 T532	D528-D530 CarbonylContact O-C 3.57Å; D528-D530 PolarHBondContact O-N 3.39Å; D528-D530 WeakPolarHBondContact OD1-CA 3.23Å; D528-D530 WeakPolarHBondContact OD1-CB 3.44Å; D528-D530 PolarHBondContact OD1-N 2.85Å; D530-T532 PolarHBondContact O-N 2.86Å; D530-T532 VanDerWaalsContact O-N 3.14Å; D530-T532 WeakPolarHBondContact OD1-CB 3.48Å; D530-T532 PolarHBondContact OD1-N 3.41Å; D530-T532 PolarHBondContact OD1-OG1 3.38Å
531	Q	93.5	Very high	94.5	Very high	98 Å²	98	53.9 Å²	53.9	46%	0.458	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	8.6	-179	-66	-69.6	-63	0	0	114.1	D528 P529 K533 V534 A535	D528-Q531 PolarHBondContact O-NE2 2.78Å; P529-Q531 PolarHBondContact O-N 2.84Å; Q531-K533 PolarHBondContact O-N 3.3Å; Q531-V534 PolarHBondContact O-N 2.78Å; Q531-A535 WeakPolarHBondContact O-CB 3.46Å; Q531-A535 PolarHBondContact O-N 2.52Å
532	T	94.7	Very high	94	Very high	91 Å²	91	53.4 Å²	53.4	56%	0.558	30%	0.297	S	S	*	.	H	α-helix	trans	-59.3	-44.5	-178.9	-62.1	0	0	0	0	112.4	D530 V534 A535 H536	D530-T532 PolarHBondContact O-N 2.86Å; D530-T532 VanDerWaalsContact O-N 3.14Å; D530-T532 WeakPolarHBondContact OD1-CB 3.48Å; D530-T532 PolarHBondContact OD1-N 3.41Å; D530-T532 PolarHBondContact OD1-OG1 3.38Å; T532-V534 PolarHBondContact O-N 3.21Å; T532-A535 PolarHBondContact O-N 3.21Å; T532-H536 WeakPolarHBondContact O-CB 3.25Å; T532-H536 PolarHBondContact O-N 2.87Å
533	K	94.4	Very high	93.6	Very high	101 Å²	101	57.3 Å²	57.3	44%	0.439	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.7	-69.8	178.5	179.1	167.8	0	111.7	M449 D525 Q531 C537	M449-K533 HydrophobicContact CE-CB 3.76Å; M449-K533 WeakPolarHBondContact CE-O 3.48Å; D525-K533 HydrophobicContact CB-CD 4.26Å; D525-K533 IonicContact OD1-NZ 2.71Å; D525-K533 PolarHBondContact OD1-NZ 2.83Å; Q531-K533 PolarHBondContact O-N 3.3Å; K533-C537 WeakPolarHBondContact O-CB 3.45Å; K533-C537 PolarHBondContact O-N 3.05Å; K533-C537 PolarHBondContact O-SG 3.32Å
534	V	94.1	Very high	93.1	Very high	22 Å²	22	61 Å²	61	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-48.1	177.1	173.3	0	0	0	0	110.7	V445 M449 F526 Q531 T532 H536 C537 L538	V445-V534 HydrophobicContact CG1-CG1 4.21Å; M449-V534 HydrophobicContact CE-CB 4.22Å; M449-V534 HydrophobicContact CE-CG2 3.67Å; F526-V534 HydrophobicContact CD2-CG2 4.35Å; Q531-V534 PolarHBondContact O-N 2.78Å; T532-V534 PolarHBondContact O-N 3.21Å; V534-H536 PolarHBondContact O-N 2.92Å; V534-C537 PolarHBondContact O-N 3.01Å; V534-L538 WeakPolarHBondContact O-CB 3.28Å; V534-L538 PolarHBondContact O-N 2.99Å
535	A	93.7	Very high	92.4	Very high	52 Å²	52	60 Å²	60	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-44.7	179.4	0	0	0	0	0	111.9	Q531 T532 L538 V539	Q531-A535 WeakPolarHBondContact O-CB 3.46Å; Q531-A535 PolarHBondContact O-N 2.52Å; T532-A535 PolarHBondContact O-N 3.21Å; A535-L538 PolarHBondContact O-N 2.63Å; A535-V539 WeakPolarHBondContact O-CG2 3.37Å; A535-V539 PolarHBondContact O-N 3.15Å; A535-V539 VanDerWaalsContact O-N 3.09Å
536	H	94.8	Very high	91.8	Very high	119 Å²	119	66.3 Å²	66.3	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-60.9	-47.6	176.2	-177.7	-84.9	0	0	0	111.6	T532 V534 L538 V539 E540	T532-H536 WeakPolarHBondContact O-CB 3.25Å; T532-H536 PolarHBondContact O-N 2.87Å; V534-H536 PolarHBondContact O-N 2.92Å; H536-L538 VanDerWaalsContact C-N 3.3Å; H536-L538 PolarHBondContact O-N 2.78Å; H536-V539 PolarHBondContact O-N 2.75Å; H536-E540 IonicContact CE1-OE2 2.64Å; H536-E540 PolarHBondContact O-N 3.04Å
537	C	94.8	Very high	91.2	Very high	5 Å²	5	72.5 Å²	72.5	3%	0.034	39%	0.388	C	S	.	.	H	α-helix	trans	-61.1	-38.4	176.9	-71.5	0	0	0	0	112	V445 L448 M449 K533 V534 V539 E540 V541	V445-C537 HydrophobicContact CG1-CB 3.77Å; L448-C537 HydrophobicContact CD2-CB 4Å; M449-C537 HydrophobicContact CE-CB 4.37Å; M449-C537 HydrophobicContact CG-CB 4.4Å; K533-C537 WeakPolarHBondContact O-CB 3.45Å; K533-C537 PolarHBondContact O-N 3.05Å; K533-C537 PolarHBondContact O-SG 3.32Å; V534-C537 PolarHBondContact O-N 3.01Å; C537-V539 PolarHBondContact O-N 3.2Å; C537-E540 PolarHBondContact O-N 2.9Å; C537-V541 WeakPolarHBondContact O-CG2 3.39Å; C537-V541 PolarHBondContact O-N 3.47Å
538	L	92.4	Very high	90.6	Very high	50 Å²	50	74.8 Å²	74.8	26%	0.262	40%	0.395	S	S	.	.	H	α-helix	trans	-63.6	-40.8	177.6	-172.9	65.8	0	0	0	112.4	F441 Q442 V445 V534 A535 H536 S542	F441-L538 HydrophobicContact CB-CD1 4.41Å; Q442-L538 HydrophobicContact CG-CD1 4.5Å; V445-L538 HydrophobicContact CG2-CB 4.15Å; V445-L538 HydrophobicContact CG2-CD1 3.94Å; V534-L538 WeakPolarHBondContact O-CB 3.28Å; V534-L538 PolarHBondContact O-N 2.99Å; A535-L538 PolarHBondContact O-N 2.63Å; H536-L538 VanDerWaalsContact C-N 3.3Å; H536-L538 PolarHBondContact O-N 2.78Å; L538-S542 WeakPolarHBondContact O-CB 3.45Å; L538-S542 PolarHBondContact O-N 2.97Å; L538-S542 PolarHBondContact O-OG 3.34Å
539	V	92.6	Very high	89.9	Confident	94 Å²	94	73 Å²	73	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-64	-42.7	174	173.1	0	0	0	0	110.8	A535 H536 C537 S542 T543	A535-V539 WeakPolarHBondContact O-CG2 3.37Å; A535-V539 PolarHBondContact O-N 3.15Å; A535-V539 VanDerWaalsContact O-N 3.09Å; H536-V539 PolarHBondContact O-N 2.75Å; C537-V539 PolarHBondContact O-N 3.2Å; V539-S542 WeakPolarHBondContact O-CB 3.45Å; V539-S542 PolarHBondContact O-N 3.42Å; V539-T543 WeakPolarHBondContact O-CB 3.26Å; V539-T543 PolarHBondContact O-N 3.17Å; V539-T543 PolarHBondContact O-OG1 2.91Å
540	E	94	Very high	89.3	Confident	57 Å²	57	74.6 Å²	74.6	27%	0.266	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-49.4	177.9	-173.8	177.4	158.8	0	0	111.5	L448 K452 H536 C537 S542 T543 L544	L448-E540 HydrophobicContact CD2-CB 4.01Å; L448-E540 HydrophobicContact CD2-CG 4.05Å; K452-E540 WeakPolarHBondContact CE-OE2 3.4Å; K452-E540 IonicContact NZ-OE1 2.7Å; K452-E540 PolarHBondContact NZ-OE1 3.36Å; K452-E540 IonicContact NZ-OE2 2.88Å; K452-E540 PolarHBondContact NZ-OE2 3.36Å; H536-E540 IonicContact CE1-OE2 2.64Å; H536-E540 PolarHBondContact O-N 3.04Å; C537-E540 PolarHBondContact O-N 2.9Å; E540-S542 VanDerWaalsContact C-N 3.3Å; E540-S542 PolarHBondContact O-N 3.29Å; E540-T543 WeakPolarHBondContact O-CB 3.46Å; E540-T543 PolarHBondContact O-N 2.97Å; E540-T543 VanDerWaalsContact O-N 3.1Å; E540-L544 HydrophobicContact CG-CD1 4.25Å; E540-L544 HydrophobicContact CG-CG 4.5Å; E540-L544 WeakPolarHBondContact O-CG 3.21Å; E540-L544 PolarHBondContact O-N 3.45Å
541	V	90.9	Very high	88.6	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-55.8	-47.5	175.1	173	0	0	0	0	110.7	F441 R444 L448 C537 T543 L544 L545	F441-V541 HydrophobicContact CB-CG1 3.6Å; F441-V541 HydrophobicContact CD2-CG1 4.44Å; F441-V541 HydrophobicContact CG-CG1 4.07Å; R444-V541 HydrophobicContact CB-CG1 3.86Å; R444-V541 HydrophobicContact CB-CG2 4.19Å; R444-V541 HydrophobicContact CG-CG1 4.46Å; L448-V541 HydrophobicContact CB-CG2 4.21Å; L448-V541 HydrophobicContact CD2-CG2 3.53Å; L448-V541 HydrophobicContact CG-CG2 4.45Å; C537-V541 WeakPolarHBondContact O-CG2 3.39Å; C537-V541 PolarHBondContact O-N 3.47Å; V541-T543 PolarHBondContact O-N 3.47Å; V541-L544 PolarHBondContact O-N 2.89Å; V541-L545 HydrophobicContact CG1-CD1 3.78Å; V541-L545 HydrophobicContact CG1-CG 4.34Å; V541-L545 WeakPolarHBondContact O-CG 3.31Å; V541-L545 PolarHBondContact O-N 3.19Å
542	S	87.9	Confident	87.4	Confident	29 Å²	29	74.5 Å²	74.5	20%	0.203	37%	0.373	C	S	.	.	H	α-helix	trans	-58.8	-39.3	179.1	-64.2	0	0	0	0	111.9	L538 V539 E540 K546	L538-S542 WeakPolarHBondContact O-CB 3.45Å; L538-S542 PolarHBondContact O-N 2.97Å; L538-S542 PolarHBondContact O-OG 3.34Å; V539-S542 WeakPolarHBondContact O-CB 3.45Å; V539-S542 PolarHBondContact O-N 3.42Å; E540-S542 VanDerWaalsContact C-N 3.3Å; E540-S542 PolarHBondContact O-N 3.29Å; S542-K546 WeakPolarHBondContact O-CB 3.42Å; S542-K546 VanDerWaalsContact O-CG 3.24Å; S542-K546 WeakPolarHBondContact O-CG 3.28Å; S542-K546 PolarHBondContact O-N 3.24Å; S542-K546 VanDerWaalsContact O-N 3.13Å
543	T	89.6	Confident	86.2	Confident	82 Å²	82	75 Å²	75	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-70.8	-44.4	179	-58.6	0	0	0	0	111.7	V539 E540 V541 L545 K546 K547	V539-T543 WeakPolarHBondContact O-CB 3.26Å; V539-T543 PolarHBondContact O-N 3.17Å; V539-T543 PolarHBondContact O-OG1 2.91Å; E540-T543 WeakPolarHBondContact O-CB 3.46Å; E540-T543 PolarHBondContact O-N 2.97Å; E540-T543 VanDerWaalsContact O-N 3.1Å; V541-T543 PolarHBondContact O-N 3.47Å; T543-L545 PolarHBondContact O-N 3.14Å; T543-K546 PolarHBondContact O-N 3.04Å; T543-K547 PolarHBondContact O-N 2.71Å
544	L	87.8	Confident	85.1	Confident	76 Å²	76	73.7 Å²	73.7	40%	0.398	37%	0.374	S	S	.	.	H	α-helix	trans	-58.4	-47.1	177	-72.3	174	0	0	0	111.3	Y460 E540 V541 K547 E548	Y460-L544 HydrophobicContact CD1-CD1 4.49Å; Y460-L544 HydrophobicContact CE1-CD1 4.06Å; E540-L544 HydrophobicContact CG-CD1 4.25Å; E540-L544 HydrophobicContact CG-CG 4.5Å; E540-L544 WeakPolarHBondContact O-CG 3.21Å; E540-L544 PolarHBondContact O-N 3.45Å; V541-L544 PolarHBondContact O-N 2.89Å; L544-K547 PolarHBondContact O-N 2.88Å; L544-E548 PolarHBondContact O-N 3.07Å
545	L	82.3	Confident	83.7	Confident	14 Å²	14	80.1 Å²	80.1	7%	0.073	40%	0.4	C	S	.	.	H	α-helix	trans	-66.5	-42.9	-179.8	-69.3	173.4	0	0	0	112.2	F441 V541 T543 K547 E548 V549 L568	F441-L545 HydrophobicContact CB-CD1 4.44Å; F441-L545 HydrophobicContact CD1-CD1 3.29Å; F441-L545 HydrophobicContact CD2-CD1 3.97Å; F441-L545 HydrophobicContact CE1-CD1 3.3Å; F441-L545 HydrophobicContact CE2-CD1 3.97Å; F441-L545 HydrophobicContact CG-CD1 3.64Å; F441-L545 HydrophobicContact CZ-CD1 3.65Å; V541-L545 HydrophobicContact CG1-CD1 3.78Å; V541-L545 HydrophobicContact CG1-CG 4.34Å; V541-L545 WeakPolarHBondContact O-CG 3.31Å; V541-L545 PolarHBondContact O-N 3.19Å; T543-L545 PolarHBondContact O-N 3.14Å; L545-K547 VanDerWaalsContact C-N 3.27Å; L545-K547 PolarHBondContact O-N 2.83Å; L545-E548 PolarHBondContact O-N 2.63Å; L545-V549 VanDerWaalsContact O-CG2 3.28Å; L545-V549 WeakPolarHBondContact O-CG2 3.38Å; L545-V549 PolarHBondContact O-N 2.88Å; L545-L568 HydrophobicContact CD2-CD2 3.93Å
546	K	83	Confident	81.9	Confident	156 Å²	156	81.4 Å²	81.4	68%	0.678	40%	0.4	S	S	*	.	H	α-helix	trans	-56.6	-42.3	173.7	-76.7	173.2	-176.7	178.7	0	111.8	S542 T543 K550	S542-K546 WeakPolarHBondContact O-CB 3.42Å; S542-K546 VanDerWaalsContact O-CG 3.24Å; S542-K546 WeakPolarHBondContact O-CG 3.28Å; S542-K546 PolarHBondContact O-N 3.24Å; S542-K546 VanDerWaalsContact O-N 3.13Å; T543-K546 PolarHBondContact O-N 3.04Å; K546-K550 WeakPolarHBondContact O-CB 3.23Å; K546-K550 PolarHBondContact O-N 2.87Å
547	K	84.1	Confident	80	Confident	158 Å²	158	82.8 Å²	82.8	69%	0.687	41%	0.41	S	S	*	.	H	α-helix	trans	-66	-40.4	178.2	-172.1	175.2	-177.5	173.1	0	111.9	T543 L544 L545 K550 K551	T543-K547 PolarHBondContact O-N 2.71Å; L544-K547 PolarHBondContact O-N 2.88Å; L545-K547 VanDerWaalsContact C-N 3.27Å; L545-K547 PolarHBondContact O-N 2.83Å; K547-K550 PolarHBondContact O-N 3.47Å; K547-K551 WeakPolarHBondContact O-CB 3.48Å; K547-K551 PolarHBondContact O-N 3.41Å
548	E	80.2	Confident	77.7	Confident	89 Å²	89	90.2 Å²	90.2	42%	0.416	45%	0.45	S	S	.	.	H	α-helix	trans	-68.4	-41.3	180	-155	178.9	169.3	0	0	112.1	L544 L545 K551 K552 L568	L544-E548 PolarHBondContact O-N 3.07Å; L545-E548 PolarHBondContact O-N 2.63Å; E548-K551 PolarHBondContact O-N 2.87Å; E548-K552 PolarHBondContact O-N 2.8Å; E548-L568 HydrophobicContact CB-CD1 4.02Å; E548-L568 HydrophobicContact CB-CD2 4.01Å; E548-L568 HydrophobicContact CB-CG 4.44Å; E548-L568 HydrophobicContact CG-CD1 3.55Å; E548-L568 HydrophobicContact CG-CD2 4.07Å; E548-L568 HydrophobicContact CG-CG 4Å
549	V	78.2	Confident	75.6	Confident	16 Å²	16	93.2 Å²	93.2	10%	0.097	47%	0.47	C	S	.	.	H	α-helix	trans	-60	-49.7	172.9	173	0	0	0	0	110.6	L545 K551 K552 M553 M565	L545-V549 VanDerWaalsContact O-CG2 3.28Å; L545-V549 WeakPolarHBondContact O-CG2 3.38Å; L545-V549 PolarHBondContact O-N 2.88Å; V549-K551 VanDerWaalsContact C-N 3.3Å; V549-K551 PolarHBondContact O-N 3.15Å; V549-K552 PolarHBondContact O-N 2.94Å; V549-M553 HydrophobicContact CG1-CE 4.08Å; V549-M553 HydrophobicContact CG1-CG 4.43Å; V549-M553 HydrophobicContact CG1-SD 3.98Å; V549-M553 WeakPolarHBondContact O-CG 3.46Å; V549-M553 PolarHBondContact O-N 2.78Å; V549-M565 HydrophobicContact CG1-CE 4.2Å; V549-M565 HydrophobicContact CG2-CE 3.69Å; V549-M565 HydrophobicContact CG2-SD 3.45Å; V549-M565 WeakPolarHBondContact CG2-SD 3.21Å
550	K	77.9	Confident	73.2	Confident	164 Å²	164	97.5 Å²	97.5	71%	0.713	49%	0.49	S	S	*	.	H	α-helix	trans	-58	-42.7	177.6	-172.4	176.4	-178.8	177.5	0	111.9	K546 K547 M553 S554	K546-K550 WeakPolarHBondContact O-CB 3.23Å; K546-K550 PolarHBondContact O-N 2.87Å; K547-K550 PolarHBondContact O-N 3.47Å; K550-M553 PolarHBondContact O-N 2.79Å; K550-S554 PolarHBondContact O-N 3.16Å; K550-S554 PolarHBondContact O-OG 3.42Å
551	K	78.8	Confident	70.8	Confident	130 Å²	130	97.6 Å²	97.6	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-65.6	-35.9	179.1	-174.2	178.4	179.8	179.9	0	112.9	K547 E548 V549 S554 K555	K547-K551 WeakPolarHBondContact O-CB 3.48Å; K547-K551 PolarHBondContact O-N 3.41Å; E548-K551 PolarHBondContact O-N 2.87Å; V549-K551 VanDerWaalsContact C-N 3.3Å; V549-K551 PolarHBondContact O-N 3.15Å; K551-S554 WeakPolarHBondContact CA-OG 3.16Å; K551-S554 PolarHBondContact O-OG 2.82Å; K551-K555 WeakPolarHBondContact O-CG 3.21Å; K551-K555 PolarHBondContact O-N 2.92Å
552	K	69.3	Low	68.5	Low	60 Å²	60	103.6 Å²	103.6	26%	0.261	55%	0.548	S	S	.	.	H	α-helix	trans	-75.8	-40.3	175.5	-77.2	-159.4	-179.1	-174.1	0	112	E548 V549 S554 K555 N556 F563 D567 L568	E548-K552 PolarHBondContact O-N 2.8Å; V549-K552 PolarHBondContact O-N 2.94Å; K552-S554 VanDerWaalsContact C-N 3.32Å; K552-S554 PolarHBondContact O-N 2.9Å; K552-K555 PolarHBondContact O-N 2.76Å; K552-N556 PolarHBondContact O-N 3.28Å; K552-N556 VanDerWaalsContact O-N 3.14Å; K552-F563 HydrophobicContact CB-CZ 4.23Å; K552-F563 HydrophobicContact CD-CE2 4.48Å; K552-F563 HydrophobicContact CD-CZ 3.76Å; K552-D567 PolarHBondContact NZ-O 3.31Å; K552-L568 HydrophobicContact CD-CD1 3.62Å; K552-L568 HydrophobicContact CG-CD1 4.12Å; K552-L568 VanDerWaalsContact NZ-C 3.31Å; K552-L568 VanDerWaalsContact NZ-CA 3.3Å; K552-L568 PolarHBondContact NZ-O 3.45Å
553	M	69.5	Low	66.4	Low	102 Å²	102	104.7 Å²	104.7	50%	0.502	55%	0.55	S	S	.	.	H	α-helix	trans	-59.7	-41.9	173.8	-74.7	-178.7	163.9	0	0	111.9	V549 K550 K555 N556 F563	V549-M553 HydrophobicContact CG1-CE 4.08Å; V549-M553 HydrophobicContact CG1-CG 4.43Å; V549-M553 HydrophobicContact CG1-SD 3.98Å; V549-M553 WeakPolarHBondContact O-CG 3.46Å; V549-M553 PolarHBondContact O-N 2.78Å; K550-M553 PolarHBondContact O-N 2.79Å; M553-K555 PolarHBondContact O-N 3.01Å; M553-N556 PolarHBondContact O-N 3.32Å; M553-F563 HydrophobicContact CE-CB 4.14Å
554	S	71.2	Confident	64.4	Low	73 Å²	73	103 Å²	103	51%	0.51	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.8	175.4	60.3	0	0	0	0	114.5	K550 K551 K552	K550-S554 PolarHBondContact O-N 3.16Å; K550-S554 PolarHBondContact O-OG 3.42Å; K551-S554 WeakPolarHBondContact CA-OG 3.16Å; K551-S554 PolarHBondContact O-OG 2.82Å; K552-S554 VanDerWaalsContact C-N 3.32Å; K552-S554 PolarHBondContact O-N 2.9Å
555	K	64.3	Low	62.7	Low	156 Å²	156	104.5 Å²	104.5	68%	0.678	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-16.7	177.4	-80.1	-172.4	172.8	-159.9	0	113.5	K551 K552 M553	K551-K555 WeakPolarHBondContact O-CG 3.21Å; K551-K555 PolarHBondContact O-N 2.92Å; K552-K555 PolarHBondContact O-N 2.76Å; M553-K555 PolarHBondContact O-N 3.01Å
556	N	57.4	Low	61.1	Low	80 Å²	80	105.5 Å²	105.5	43%	0.428	56%	0.555	S	S	.	*			trans	-111.9	26	-173	-71.7	-3.5	0	0	0	112.9	K552 M553 D558 T559	K552-N556 PolarHBondContact O-N 3.28Å; K552-N556 VanDerWaalsContact O-N 3.14Å; M553-N556 PolarHBondContact O-N 3.32Å; N556-D558 PolarHBondContact O-N 2.83Å; N556-T559 PolarHBondContact O-N 2.84Å
557	L	53.3	Low	59.4	Low	147 Å²	147	101.6 Å²	101.6	77%	0.77	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	0.8	-177	-82.7	158.9	0	0	0	115.5
558	D	48.1	Very low	57.8	Low	162 Å²	162	94.6 Å²	94.6	87%	0.866	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	7.4	177.2	-70.9	-28.3	0	0	0	115	N556	N556-D558 PolarHBondContact O-N 2.83Å
559	T	48.2	Very low	56.8	Low	112 Å²	112	91.9 Å²	91.9	69%	0.687	50%	0.499	S	S	*	.			trans	-138.8	115.1	176.5	35.3	0	0	0	0	112.7	N556 G561	N556-T559 PolarHBondContact O-N 2.84Å; T559-G561 PolarHBondContact O-N 3.33Å
560	D	41.1	Very low	55.7	Low	185 Å²	185	95.4 Å²	95.4	99%	0.989	52%	0.521	S	S	*	.			trans	-79.8	64.5	-175.7	-153.5	14.5	0	0	0	111.7
561	G	43.6	Very low	54.5	Low	59 Å²	59	91 Å²	91	61%	0.608	51%	0.511	S	S	*	.			trans	-120.8	136.6	-178.7	0	0	0	0	0	112.8	T559 F563	T559-G561 PolarHBondContact O-N 3.33Å; G561-F563 PolarHBondContact O-N 2.84Å
562	S	42.3	Very low	53.4	Low	126 Å²	126	85.1 Å²	85.1	88%	0.881	49%	0.486	S	S	*	.			trans	-56.5	103.7	169.1	149.1	0	0	0	0	110.7
563	F	44.5	Very low	52.5	Low	52 Å²	52	84.8 Å²	84.8	23%	0.228	49%	0.491	C	S	.	.			trans	-76.8	120.8	-179.5	-168.4	-97.7	0	0	0	111.7	K552 M553 G561 D567	K552-F563 HydrophobicContact CB-CZ 4.23Å; K552-F563 HydrophobicContact CD-CE2 4.48Å; K552-F563 HydrophobicContact CD-CZ 3.76Å; M553-F563 HydrophobicContact CE-CB 4.14Å; G561-F563 PolarHBondContact O-N 2.84Å; F563-D567 HydrophobicContact CD2-CB 4.29Å; F563-D567 HydrophobicContact CE1-CB 4.38Å; F563-D567 HydrophobicContact CE2-CB 3.67Å; F563-D567 HydrophobicContact CZ-CB 3.72Å
564	S	46.8	Very low	51.3	Low	47 Å²	47	80.3 Å²	80.3	33%	0.329	47%	0.471	S	S	.	.			trans	-92.3	146.5	176.7	-180	0	0	0	0	111	S566 D567	S564-S566 WeakPolarHBondContact CB-OG 3.3Å; S564-S566 PolarHBondContact O-N 3.36Å; S564-S566 PolarHBondContact OG-N 2.95Å; S564-S566 PolarHBondContact OG-OG 3.47Å; S564-D567 WeakPolarHBondContact CB-OD2 3.43Å; S564-D567 PolarHBondContact N-OD2 2.9Å; S564-D567 VanDerWaalsContact N-OD2 3.15Å; S564-D567 WeakPolarHBondContact O-CB 3.13Å; S564-D567 PolarHBondContact O-N 3.24Å
565	M	52.8	Low	50.1	Low	106 Å²	106	77.9 Å²	77.9	52%	0.522	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-57.6	-24.3	176.5	-64.6	-65.9	154.4	0	0	112.5	V549 D567 L568	V549-M565 HydrophobicContact CG1-CE 4.2Å; V549-M565 HydrophobicContact CG2-CE 3.69Å; V549-M565 HydrophobicContact CG2-SD 3.45Å; V549-M565 WeakPolarHBondContact CG2-SD 3.21Å; M565-D567 PolarHBondContact O-N 3.1Å; M565-L568 WeakPolarHBondContact O-CB 3.37Å; M565-L568 PolarHBondContact O-N 3.01Å
566	S	47.8	Very low	49.3	Very low	35 Å²	35	74.3 Å²	74.3	25%	0.245	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-64.6	-14.8	173.6	60.7	0	0	0	0	114.1	K466 S564 L568	K466-S566 WeakPolarHBondContact CD-O 3.48Å; K466-S566 WeakPolarHBondContact CE-O 3.27Å; K466-S566 PolarHBondContact NZ-O 2.9Å; S564-S566 WeakPolarHBondContact CB-OG 3.3Å; S564-S566 PolarHBondContact O-N 3.36Å; S564-S566 PolarHBondContact OG-N 2.95Å; S564-S566 PolarHBondContact OG-OG 3.47Å; S566-L568 VanDerWaalsContact C-N 3.32Å
567	D	47.9	Very low	48.9	Very low	75 Å²	75	70.6 Å²	70.6	40%	0.401	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-93	-0.3	-176.7	-51.5	-29.4	0	0	0	111.5	K552 F563 S564 M565	K552-D567 PolarHBondContact NZ-O 3.31Å; F563-D567 HydrophobicContact CD2-CB 4.29Å; F563-D567 HydrophobicContact CE1-CB 4.38Å; F563-D567 HydrophobicContact CE2-CB 3.67Å; F563-D567 HydrophobicContact CZ-CB 3.72Å; S564-D567 WeakPolarHBondContact CB-OD2 3.43Å; S564-D567 PolarHBondContact N-OD2 2.9Å; S564-D567 VanDerWaalsContact N-OD2 3.15Å; S564-D567 WeakPolarHBondContact O-CB 3.13Å; S564-D567 PolarHBondContact O-N 3.24Å; M565-D567 PolarHBondContact O-N 3.1Å
568	L	50.8	Low	48.6	Very low	11 Å²	11	67.1 Å²	67.1	6%	0.058	41%	0.411	C	S	.	.	S	Bend	trans	-75.3	-34.2	178.2	-158	62.4	0	0	0	112.2	L545 E548 K552 M565 S566	L545-L568 HydrophobicContact CD2-CD2 3.93Å; E548-L568 HydrophobicContact CB-CD1 4.02Å; E548-L568 HydrophobicContact CB-CD2 4.01Å; E548-L568 HydrophobicContact CB-CG 4.44Å; E548-L568 HydrophobicContact CG-CD1 3.55Å; E548-L568 HydrophobicContact CG-CD2 4.07Å; E548-L568 HydrophobicContact CG-CG 4Å; K552-L568 HydrophobicContact CD-CD1 3.62Å; K552-L568 HydrophobicContact CG-CD1 4.12Å; K552-L568 VanDerWaalsContact NZ-C 3.31Å; K552-L568 VanDerWaalsContact NZ-CA 3.3Å; K552-L568 PolarHBondContact NZ-O 3.45Å; M565-L568 WeakPolarHBondContact O-CB 3.37Å; M565-L568 PolarHBondContact O-N 3.01Å; S566-L568 VanDerWaalsContact C-N 3.32Å
569	E	59.4	Low	48.8	Very low	31 Å²	31	62.6 Å²	62.6	15%	0.145	39%	0.387	C	S	.	.	S	Bend	trans	-100.5	128.5	-168.5	-67.6	-173	-178.6	0	0	113.5	R444 F465 K466	R444-E569 IonicContact CZ-OE1 3.86Å; R444-E569 IonicContact NH1-OE1 3.71Å; R444-E569 PolarHBondContact NH1-OE1 3.28Å; R444-E569 IonicContact NH2-OE1 3.69Å; R444-E569 PolarHBondContact NH2-OE1 2.85Å; F465-E569 PolarHBondContact N-OE1 3.02Å; F465-E569 PolarHBondContact N-OE2 3.36Å; K466-E569 HydrophobicContact CB-CB 4.34Å; K466-E569 WeakPolarHBondContact CB-OE2 3.48Å; K466-E569 PolarHBondContact N-OE2 3.09Å
570	T	54.8	Low	49.2	Very low	91 Å²	91	57.3 Å²	57.3	56%	0.558	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-77.3	163	174.2	55	0	0	0	0	112.6	R464	R464-T570 PolarHBondContact NH2-OG1 3.27Å
571	S	51.9	Low	50.1	Low	70 Å²	70	52.5 Å²	52.5	49%	0.49	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-61.8	146.1	-172.3	71.2	0	0	0	0	114.3	Q468 S573	Q468-S571 VanDerWaalsContact NE2-CA 3.31Å; S571-S573 PolarHBondContact O-N 3.23Å; S571-S573 VanDerWaalsContact O-N 3.09Å
572	T	57.5	Low	51.2	Low	8 Å²	8	51.4 Å²	51.4	5%	0.049	32%	0.317	C	S	.	.			trans	-79.5	36.8	173.4	59.8	0	0	0	0	112.5	Y430 R464 Q468 G574	Y430-T572 HydrophobicContact CD1-CG2 4.35Å; Y430-T572 HydrophobicContact CE1-CG2 4.11Å; R464-T572 HydrophobicContact CB-CG2 4.2Å; R464-T572 HydrophobicContact CG-CG2 4.4Å; Q468-T572 PolarHBondContact NE2-OG1 3.25Å; Q468-T572 PolarHBondContact OE1-OG1 2.86Å; T572-G574 PolarHBondContact O-N 3.27Å
573	S	48.5	Very low	52.7	Low	52 Å²	52	49.4 Å²	49.4	36%	0.364	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	8.2	-172.7	59.3	0	0	0	0	115.5	R423 S571 S575 N576	R423-S573 PolarHBondContact NH1-O 2.99Å; S571-S573 PolarHBondContact O-N 3.23Å; S571-S573 VanDerWaalsContact O-N 3.09Å; S573-S575 PolarHBondContact O-N 3.17Å; S573-N576 PolarHBondContact O-OD1 2.81Å
574	G	44.3	Very low	54.4	Low	9 Å²	9	47 Å²	47	9%	0.093	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.9	169.7	0	0	0	0	0	114.3	T572	T572-G574 PolarHBondContact O-N 3.27Å
575	S	47.4	Very low	55.8	Low	22 Å²	22	46.5 Å²	46.5	15%	0.154	28%	0.281	C	S	.	.	S	Bend	trans	-117.5	80.7	-178.9	-30.6	0	0	0	0	109.8	K471 S573 S577	K471-S575 PolarHBondContact NZ-O 3.05Å; S573-S575 PolarHBondContact O-N 3.17Å; S575-S577 PolarHBondContact O-N 3.26Å
576	N	46.3	Very low	56.9	Low	81 Å²	81	44.4 Å²	44.4	43%	0.433	27%	0.27	S	S	.	.			trans	-58.5	105.3	164.2	-71.8	3.9	0	0	0	106.9	S573	S573-N576 PolarHBondContact O-OD1 2.81Å
577	S	49.8	Very low	58.3	Low	1 Å²	1	46.4 Å²	46.4	1%	0.007	28%	0.277	C	S	.	.			trans	-151.9	8.4	-176.3	135.9	0	0	0	0	114.4	D380 R383 S575 D579 S580	D380-S577 PolarHBondContact OD2-OG 2.79Å; D380-S577 VanDerWaalsContact OD2-OG 3.12Å; R383-S577 PolarHBondContact NE-OG 3.37Å; R383-S577 PolarHBondContact NH2-OG 2.69Å; S575-S577 PolarHBondContact O-N 3.26Å; S577-D579 PolarHBondContact O-N 2.78Å; S577-D579 VanDerWaalsContact O-N 3.08Å; S577-S580 PolarHBondContact O-N 3.47Å
578	S	47.8	Very low	59.4	Low	75 Å²	75	47.6 Å²	47.6	52%	0.524	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-55.1	-23.1	165.5	38.5	0	0	0	0	112	S580	S578-S580 PolarHBondContact O-N 3.48Å
579	D	50.7	Low	59.6	Low	66 Å²	66	56.6 Å²	56.6	35%	0.353	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-80.8	-0	-171.3	-49	-37.4	0	0	0	114	K155 S577	K155-D579 HydrophobicContact CD-CB 3.78Å; K155-D579 PolarHBondContact NZ-O 2.96Å; K155-D579 VanDerWaalsContact NZ-O 3.11Å; S577-D579 PolarHBondContact O-N 2.78Å; S577-D579 VanDerWaalsContact O-N 3.08Å
580	S	57.3	Low	59.6	Low	1 Å²	1	57.9 Å²	57.9	1%	0.007	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-120.8	8.9	-179.4	-56.4	0	0	0	0	113.8	H156 R379 S577 S578 G582	H156-S580 PolarHBondContact CE1-OG 2.82Å; H156-S580 PolarHBondContact NE2-OG 3.07Å; R379-S580 WeakPolarHBondContact CD-O 3.17Å; S577-S580 PolarHBondContact O-N 3.47Å; S578-S580 PolarHBondContact O-N 3.48Å; S580-G582 PolarHBondContact O-N 3.25Å
581	D	59.3	Low	59.8	Low	84 Å²	84	56.2 Å²	56.2	45%	0.449	32%	0.321	S	S	.	.			trans	-77.2	115.5	174.6	-65.9	-22.6	0	0	0	108.2	R383	R383-D581 WeakPolarHBondContact CB-OD1 3.41Å; R383-D581 VanDerWaalsContact CG-OD1 3.3Å; R383-D581 WeakPolarHBondContact CG-OD1 3.42Å
582	G	67.2	Low	60.3	Low	36 Å²	36	55.4 Å²	55.4	37%	0.371	31%	0.312	S	S	.	.	S	Bend	trans	159.7	167.5	179.7	0	0	0	0	0	114.4	R379 S580	R379-G582 WeakPolarHBondContact CD-O 3.04Å; R379-G582 PolarHBondContact NE-O 2.98Å; S580-G582 PolarHBondContact O-N 3.25Å
583	L	74.8	Confident	60.4	Low	85 Å²	85	58.2 Å²	58.2	45%	0.445	33%	0.328	S	S	.	.			trans	-67.1	148	175.6	-68.1	173.6	0	0	0	111	R379 L389 L588	R379-L583 VanDerWaalsContact CZ-O 3.26Å; R379-L583 PolarHBondContact NE-O 3.35Å; R379-L583 PolarHBondContact NH2-O 3.25Å; L389-L583 HydrophobicContact CD1-CD2 3.58Å; L583-L588 HydrophobicContact CB-CD2 4.02Å; L583-L588 HydrophobicContact CB-CG 4.42Å; L583-L588 HydrophobicContact CD1-CD2 4.2Å
584	P	78.6	Confident	61.2	Low	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.325	C	S	.	.			trans	-50.4	143.2	166.3	-25.4	33	0	0	0	111.8	A377 F393 H586 L587	A377-P584 HydrophobicContact CB-CG 4.32Å; F393-P584 HydrophobicContact CE2-CG 4.15Å; F393-P584 HydrophobicContact CZ-CG 3.88Å; P584-H586 VanDerWaalsContact C-N 3.26Å; P584-H586 VanDerWaalsContact CB-CE1 3.4Å; P584-H586 WeakPolarHBondContact CB-CE1 3.39Å; P584-H586 PolarHBondContact O-N 3.47Å; P584-L587 HydrophobicContact CG-CD1 4.33Å; P584-L587 PolarHBondContact O-N 2.69Å
585	V	77.3	Confident	62.3	Low	37 Å²	37	61.9 Å²	61.9	22%	0.224	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-57.6	-37.6	-173.9	176.3	0	0	0	0	112.5	L587 L588	V585-L587 PolarHBondContact O-N 3.13Å; V585-L587 VanDerWaalsContact O-N 3.13Å; V585-L588 WeakPolarHBondContact O-CB 3.12Å; V585-L588 PolarHBondContact O-N 3.21Å
586	H	75.2	Confident	63.4	Low	63 Å²	63	64.7 Å²	64.7	29%	0.292	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-67.8	-8.1	178.9	73	-90.4	0	0	0	115	Y94 P584	Y94-H586 HydrophobicContact CD1-CB 4.46Å; Y94-H586 HydrophobicContact CD2-CB 3.75Å; Y94-H586 HydrophobicContact CE2-CB 4.23Å; Y94-H586 HydrophobicContact CG-CB 3.89Å; P584-H586 VanDerWaalsContact C-N 3.26Å; P584-H586 VanDerWaalsContact CB-CE1 3.4Å; P584-H586 WeakPolarHBondContact CB-CE1 3.39Å; P584-H586 PolarHBondContact O-N 3.47Å
587	L	76.7	Confident	64.7	Low	76 Å²	76	63.5 Å²	63.5	40%	0.398	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-100.7	-3.1	173.5	-61.2	-178.1	0	0	0	112.4	L389 P584 V585	L389-L587 HydrophobicContact CD1-CD1 3.86Å; L389-L587 HydrophobicContact CD2-CD1 4.31Å; P584-L587 HydrophobicContact CG-CD1 4.33Å; P584-L587 PolarHBondContact O-N 2.69Å; V585-L587 PolarHBondContact O-N 3.13Å; V585-L587 VanDerWaalsContact O-N 3.13Å
588	L	72.2	Confident	65.9	Low	101 Å²	101	68.7 Å²	68.7	53%	0.529	38%	0.377	S	S	.	.			trans	-94.5	-9.6	177.1	-61.7	176.1	0	0	0	112.4	L583 V585	L583-L588 HydrophobicContact CB-CD2 4.02Å; L583-L588 HydrophobicContact CB-CG 4.42Å; L583-L588 HydrophobicContact CD1-CD2 4.2Å; V585-L588 WeakPolarHBondContact O-CB 3.12Å; V585-L588 PolarHBondContact O-N 3.21Å
589	H	54	Low	67.6	Low	200 Å²	200	68.1 Å²	68.1	93%	0.926	36%	0.363	S	S	*	.			trans	-128.3	0	177.9	-61.1	-65.9	0	0	0	108.4

Retrieved 589 of 589 residues in 2012.4 ms (Link to these results)

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