A0A5K4FDU7_SCHMA Loading...

Cyclic nucleotide-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 731 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	49.8	Very low	62.7	Low	183 Å²	183	124.8 Å²	124.8	90%	0.901	58%	0.579	S	S	*	*				0	128.3	0	-169.1	172.1	153.9	0	0	109.2	L13	M1-L13 HydrophobicContact CB-CD1 4.13Å; M1-L13 HydrophobicContact CG-CD1 4.19Å; M1-L13 HydrophobicContact SD-CD1 4.42Å
2	Y	58	Low	63.6	Low	138 Å²	138	117 Å²	117	54%	0.541	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.9	-176.2	-64.7	-89.3	0	0	0	109.7	R10 I11	Y2-R10 HydrophobicContact CD1-CG 4.15Å; Y2-R10 HydrophobicContact CG-CG 4.18Å; Y2-I11 WeakPolarHBondContact CA-O 3.32Å
3	I	71.4	Confident	63.5	Low	72 Å²	72	115.8 Å²	115.8	37%	0.369	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.4	174.1	58.4	175.9	0	0	0	109.6	I11 A16	I3-I11 HydrophobicContact CD1-CD1 4.39Å; I3-I11 HydrophobicContact CG1-CD1 4.21Å; I3-I11 HydrophobicContact CG1-CG1 3.8Å; I3-I11 PolarHBondContact N-O 3.4Å; I3-I11 WeakPolarHBondContact O-CG1 3.41Å; I3-I11 PolarHBondContact O-N 3.26Å; I3-A16 HydrophobicContact CD1-CB 3.66Å; I3-A16 HydrophobicContact CG1-CB 4.42Å
4	Y	65.4	Low	64	Low	162 Å²	162	119.6 Å²	119.6	64%	0.635	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.3	130.2	171.8	-68.2	-85.5	0	0	0	109	G8 K9 R10	Y4-G8 WeakPolarHBondContact CD1-O 2.91Å; Y4-K9 WeakPolarHBondContact CA-O 3.41Å; Y4-R10 HydrophobicContact CD1-CB 4.08Å; Y4-R10 HydrophobicContact CE1-CB 3.75Å; Y4-R10 HydrophobicContact CE1-CG 4.3Å
5	N	63.5	Low	64.4	Low	54 Å²	54	118.2 Å²	118.2	29%	0.289	56%	0.555	S	S	.	*			trans	-75.8	176.2	172.2	75.2	6.7	0	0	0	111.1	Y7 G8 K9 I11	N5-Y7 PolarHBondContact O-N 3.41Å; N5-Y7 WeakPolarHBondContact OD1-CA 3.5Å; N5-Y7 WeakPolarHBondContact OD1-CB 3.44Å; N5-Y7 PolarHBondContact OD1-N 3.15Å; N5-G8 PolarHBondContact O-N 2.6Å; N5-G8 PolarHBondContact OD1-N 2.98Å; N5-K9 PolarHBondContact N-O 3.33Å; N5-K9 PolarHBondContact OD1-N 3.24Å; N5-K9 PolarHBondContact OD1-O 3.34Å; N5-I11 HydrophobicContact CB-CD1 4.26Å
6	L	53	Low	64.6	Low	178 Å²	178	112 Å²	112	93%	0.932	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.6	-179.9	-73.2	166.9	0	0	0	114.6
7	Y	61.2	Low	65	Low	214 Å²	214	107.6 Å²	107.6	84%	0.839	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	9.8	175.9	-56.2	-74	0	0	0	112.5	N5 K9	N5-Y7 PolarHBondContact O-N 3.41Å; N5-Y7 WeakPolarHBondContact OD1-CA 3.5Å; N5-Y7 WeakPolarHBondContact OD1-CB 3.44Å; N5-Y7 PolarHBondContact OD1-N 3.15Å; Y7-K9 PolarHBondContact O-N 3.13Å
8	G	53.8	Low	65.4	Low	52 Å²	52	106.7 Å²	106.7	54%	0.536	52%	0.519	S	S	.	.	S	Bend	trans	72.7	11.8	-178.4	0	0	0	0	0	114.4	Y4 N5	Y4-G8 WeakPolarHBondContact CD1-O 2.91Å; N5-G8 PolarHBondContact O-N 2.6Å; N5-G8 PolarHBondContact OD1-N 2.98Å
9	K	69.6	Low	65.6	Low	146 Å²	146	105.2 Å²	105.2	64%	0.635	52%	0.517	S	S	*	.			trans	-86.4	129.4	177.6	-169.1	177	-179	178.6	0	110.6	Y4 N5 Y7 I11	Y4-K9 WeakPolarHBondContact CA-O 3.41Å; N5-K9 PolarHBondContact N-O 3.33Å; N5-K9 PolarHBondContact OD1-N 3.24Å; N5-K9 PolarHBondContact OD1-O 3.34Å; Y7-K9 PolarHBondContact O-N 3.13Å; K9-I11 PolarHBondContact O-N 3Å
10	R	71.3	Confident	65.7	Low	145 Å²	145	106.2 Å²	106.2	55%	0.547	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	123	174.7	-170.1	175.6	171.9	179.5	-1.5	109.9	Y2 Y4	Y2-R10 HydrophobicContact CD1-CG 4.15Å; Y2-R10 HydrophobicContact CG-CG 4.18Å; Y4-R10 HydrophobicContact CD1-CB 4.08Å; Y4-R10 HydrophobicContact CE1-CB 3.75Å; Y4-R10 HydrophobicContact CE1-CG 4.3Å
11	I	72.8	Confident	65.7	Low	29 Å²	29	107.7 Å²	107.7	15%	0.149	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.8	177	58.1	169.7	0	0	0	110.9	Y2 I3 N5 K9 E15 A16	Y2-I11 WeakPolarHBondContact CA-O 3.32Å; I3-I11 HydrophobicContact CD1-CD1 4.39Å; I3-I11 HydrophobicContact CG1-CD1 4.21Å; I3-I11 HydrophobicContact CG1-CG1 3.8Å; I3-I11 PolarHBondContact N-O 3.4Å; I3-I11 WeakPolarHBondContact O-CG1 3.41Å; I3-I11 PolarHBondContact O-N 3.26Å; N5-I11 HydrophobicContact CB-CD1 4.26Å; K9-I11 PolarHBondContact O-N 3Å; I11-E15 HydrophobicContact CB-CB 4.38Å; I11-A16 HydrophobicContact CD1-CB 4.02Å
12	S	73.3	Confident	66.6	Low	31 Å²	31	104.1 Å²	104.1	22%	0.217	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	157.8	175	67.8	0	0	0	0	111.8	K14 E15 A16	S12-K14 PolarHBondContact O-N 2.92Å; S12-E15 PolarHBondContact N-OE2 3.3Å; S12-E15 PolarHBondContact O-N 3.16Å; S12-E15 WeakPolarHBondContact OG-CB 3.46Å; S12-E15 VanDerWaalsContact OG-CG 3.31Å; S12-E15 WeakPolarHBondContact OG-CG 3.35Å; S12-E15 PolarHBondContact OG-N 2.99Å; S12-E15 PolarHBondContact OG-OE2 3.48Å; S12-A16 PolarHBondContact O-N 2.91Å
13	L	63	Low	66.7	Low	102 Å²	102	104.4 Å²	104.4	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-59.4	-34.3	175.8	-129.4	102.3	0	0	0	112.5	M1 A16 G17	M1-L13 HydrophobicContact CB-CD1 4.13Å; M1-L13 HydrophobicContact CG-CD1 4.19Å; M1-L13 HydrophobicContact SD-CD1 4.42Å; L13-A16 PolarHBondContact O-N 2.93Å; L13-G17 PolarHBondContact O-N 3.49Å
14	K	69.7	Low	66.1	Low	168 Å²	168	108.3 Å²	108.3	73%	0.73	52%	0.523	S	S	*	.	H	α-helix	trans	-67.3	-42.2	177.2	-167.3	176.1	-177.7	179.5	0	111.5	S12 G17 N18	S12-K14 PolarHBondContact O-N 2.92Å; K14-G17 PolarHBondContact O-N 2.85Å; K14-N18 PolarHBondContact O-N 3.48Å
15	E	70.5	Confident	65.6	Low	99 Å²	99	104.4 Å²	104.4	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-64.6	-42	172.6	-76	168.4	137.8	0	0	112	I11 S12 G17 N18 V19	I11-E15 HydrophobicContact CB-CB 4.38Å; S12-E15 PolarHBondContact N-OE2 3.3Å; S12-E15 PolarHBondContact O-N 3.16Å; S12-E15 WeakPolarHBondContact OG-CB 3.46Å; S12-E15 VanDerWaalsContact OG-CG 3.31Å; S12-E15 WeakPolarHBondContact OG-CG 3.35Å; S12-E15 PolarHBondContact OG-N 2.99Å; S12-E15 PolarHBondContact OG-OE2 3.48Å; E15-G17 VanDerWaalsContact C-N 3.31Å; E15-G17 PolarHBondContact O-N 3.05Å; E15-N18 PolarHBondContact O-N 2.94Å; E15-V19 WeakPolarHBondContact O-CG2 3.3Å; E15-V19 PolarHBondContact O-N 3.47Å
16	A	68.1	Low	65.1	Low	19 Å²	19	108.2 Å²	108.2	16%	0.157	53%	0.529	C	S	.	.	H	α-helix	trans	-58.9	-43.5	176.4	0	0	0	0	0	111.8	I3 I11 S12 L13 V19 Q20	I3-A16 HydrophobicContact CD1-CB 3.66Å; I3-A16 HydrophobicContact CG1-CB 4.42Å; I11-A16 HydrophobicContact CD1-CB 4.02Å; S12-A16 PolarHBondContact O-N 2.91Å; L13-A16 PolarHBondContact O-N 2.93Å; A16-V19 PolarHBondContact O-N 3.38Å; A16-Q20 WeakPolarHBondContact O-CB 3.4Å; A16-Q20 PolarHBondContact O-N 3.37Å
17	G	70.7	Confident	64.7	Low	37 Å²	37	108.2 Å²	108.2	38%	0.381	52%	0.518	S	S	.	.	H	α-helix	trans	-60.4	-44.1	173.5	0	0	0	0	0	113	L13 K14 E15 Q20 K21	L13-G17 PolarHBondContact O-N 3.49Å; K14-G17 PolarHBondContact O-N 2.85Å; E15-G17 VanDerWaalsContact C-N 3.31Å; E15-G17 PolarHBondContact O-N 3.05Å; G17-Q20 PolarHBondContact O-N 3.41Å; G17-K21 WeakPolarHBondContact O-CB 3.44Å; G17-K21 PolarHBondContact O-N 3.46Å
18	N	72.3	Confident	64.1	Low	91 Å²	91	104.8 Å²	104.8	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-40.6	177.4	-73.2	-11.2	0	0	0	112.6	K14 E15 Q20 K21 L22	K14-N18 PolarHBondContact O-N 3.48Å; E15-N18 PolarHBondContact O-N 2.94Å; N18-Q20 VanDerWaalsContact C-N 3.31Å; N18-Q20 PolarHBondContact O-N 2.83Å; N18-K21 PolarHBondContact O-N 3.34Å; N18-L22 WeakPolarHBondContact O-CB 3.5Å; N18-L22 PolarHBondContact O-N 3.22Å
19	V	70	Confident	63.5	Low	79 Å²	79	108.6 Å²	108.6	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-39.6	175.6	170.8	0	0	0	0	110.8	E15 A16 K23	E15-V19 WeakPolarHBondContact O-CG2 3.3Å; E15-V19 PolarHBondContact O-N 3.47Å; A16-V19 PolarHBondContact O-N 3.38Å; V19-K23 WeakPolarHBondContact O-CB 3.45Å; V19-K23 PolarHBondContact O-N 3.21Å
20	Q	66.8	Low	62	Low	125 Å²	125	108.1 Å²	108.1	58%	0.584	51%	0.511	S	S	*	.	H	α-helix	trans	-68.9	-39.9	178.1	-162.6	154.2	3.7	0	0	111.6	A16 G17 N18 K23 Y24	A16-Q20 WeakPolarHBondContact O-CB 3.4Å; A16-Q20 PolarHBondContact O-N 3.37Å; G17-Q20 PolarHBondContact O-N 3.41Å; N18-Q20 VanDerWaalsContact C-N 3.31Å; N18-Q20 PolarHBondContact O-N 2.83Å; Q20-K23 PolarHBondContact O-N 3.38Å; Q20-Y24 HydrophobicContact CG-CD2 4.4Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.46Å; Q20-Y24 PolarHBondContact O-N 3.34Å
21	K	66.2	Low	60.1	Low	137 Å²	137	110.3 Å²	110.3	60%	0.596	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-47.2	173.5	-166.8	175.7	-179.4	-179.1	0	112	G17 N18 K23 Y24 D25	G17-K21 WeakPolarHBondContact O-CB 3.44Å; G17-K21 PolarHBondContact O-N 3.46Å; N18-K21 PolarHBondContact O-N 3.34Å; K21-K23 PolarHBondContact O-N 3.38Å; K21-Y24 WeakPolarHBondContact O-CB 3.45Å; K21-Y24 PolarHBondContact O-N 2.98Å; K21-Y24 VanDerWaalsContact O-N 3.13Å; K21-D25 PolarHBondContact O-N 3.48Å
22	L	67.1	Low	58.3	Low	108 Å²	108	114.1 Å²	114.1	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-60.6	-41.3	175.6	-85.5	160.7	0	0	0	112.7	N18 Y24 D25 Q26	N18-L22 WeakPolarHBondContact O-CB 3.5Å; N18-L22 PolarHBondContact O-N 3.22Å; L22-Y24 VanDerWaalsContact C-N 3.33Å; L22-D25 PolarHBondContact O-N 2.8Å; L22-Q26 WeakPolarHBondContact O-CB 3.41Å; L22-Q26 WeakPolarHBondContact O-CG 3.23Å; L22-Q26 PolarHBondContact O-N 2.97Å
23	K	61.3	Low	56.4	Low	145 Å²	145	116.1 Å²	116.1	63%	0.63	55%	0.553	S	S	*	*	H	α-helix	trans	-62	-41.2	173.7	-95.2	-173.6	173.5	-177.5	0	111.8	V19 Q20 K21 Y27	V19-K23 WeakPolarHBondContact O-CB 3.45Å; V19-K23 PolarHBondContact O-N 3.21Å; Q20-K23 PolarHBondContact O-N 3.38Å; K21-K23 PolarHBondContact O-N 3.38Å; K23-Y27 VanDerWaalsContact O-CB 3.3Å; K23-Y27 WeakPolarHBondContact O-CB 3.34Å; K23-Y27 PolarHBondContact O-N 3.38Å
24	Y	58	Low	54.9	Low	154 Å²	154	115.7 Å²	115.7	60%	0.604	56%	0.558	S	S	*	*	H	α-helix	trans	-65.1	-45.4	176.7	-101.7	-80.3	0	0	0	112	Q20 K21 L22 Y27 F28	Q20-Y24 HydrophobicContact CG-CD2 4.4Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.46Å; Q20-Y24 PolarHBondContact O-N 3.34Å; K21-Y24 WeakPolarHBondContact O-CB 3.45Å; K21-Y24 PolarHBondContact O-N 2.98Å; K21-Y24 VanDerWaalsContact O-N 3.13Å; L22-Y24 VanDerWaalsContact C-N 3.33Å; Y24-Y27 PolarHBondContact O-N 3.45Å; Y24-F28 PolarHBondContact O-N 3.28Å
25	D	55.3	Low	53	Low	79 Å²	79	111.8 Å²	111.8	42%	0.422	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-43.3	178.6	-70.2	-19.6	0	0	0	111.3	K21 L22 Y27 F28 H29	K21-D25 PolarHBondContact O-N 3.48Å; L22-D25 PolarHBondContact O-N 2.8Å; D25-Y27 PolarHBondContact O-N 2.97Å; D25-F28 PolarHBondContact O-N 3.28Å; D25-H29 PolarHBondContact O-CD2 2.91Å; D25-H29 PolarHBondContact O-N 3.46Å
26	Q	53	Low	50.9	Low	135 Å²	135	117.6 Å²	117.6	63%	0.631	57%	0.57	S	S	*	*	H	α-helix	trans	-61.4	-42	173.8	-80.6	-175.2	-24.9	0	0	112.3	L22 F28 H29 H30	L22-Q26 WeakPolarHBondContact O-CB 3.41Å; L22-Q26 WeakPolarHBondContact O-CG 3.23Å; L22-Q26 PolarHBondContact O-N 2.97Å; Q26-F28 VanDerWaalsContact C-N 3.31Å; Q26-F28 PolarHBondContact O-N 2.99Å; Q26-H29 PolarHBondContact O-N 3.19Å; Q26-H30 WeakPolarHBondContact O-CB 3.34Å; Q26-H30 PolarHBondContact O-N 3.01Å
27	Y	45.5	Very low	49.1	Very low	178 Å²	178	122 Å²	122	70%	0.698	60%	0.6	S	S	*	*	H	α-helix	trans	-66.1	-34.8	178.7	-154.9	-89.4	0	0	0	111.9	K23 Y24 D25	K23-Y27 VanDerWaalsContact O-CB 3.3Å; K23-Y27 WeakPolarHBondContact O-CB 3.34Å; K23-Y27 PolarHBondContact O-N 3.38Å; Y24-Y27 PolarHBondContact O-N 3.45Å; D25-Y27 PolarHBondContact O-N 2.97Å
28	F	47.5	Very low	47.3	Very low	142 Å²	142	126.2 Å²	126.2	62%	0.623	62%	0.618	S	S	*	*	H	α-helix	trans	-69.9	-43.3	174.5	-108.3	-88.9	0	0	0	112.5	Y24 D25 Q26 H30 R31	Y24-F28 PolarHBondContact O-N 3.28Å; D25-F28 PolarHBondContact O-N 3.28Å; Q26-F28 VanDerWaalsContact C-N 3.31Å; Q26-F28 PolarHBondContact O-N 2.99Å; F28-H30 PolarHBondContact O-N 3.13Å; F28-R31 PolarHBondContact O-N 3.44Å
29	H	40.9	Very low	45.2	Very low	131 Å²	131	129 Å²	129	61%	0.606	63%	0.633	S	S	*	*	H	α-helix	trans	-68.9	-31.3	177.7	-78.8	-68.2	0	0	0	113.4	D25 Q26 R31 I32 S33	D25-H29 PolarHBondContact O-CD2 2.91Å; D25-H29 PolarHBondContact O-N 3.46Å; Q26-H29 PolarHBondContact O-N 3.19Å; H29-R31 VanDerWaalsContact C-N 3.27Å; H29-R31 PolarHBondContact O-N 2.94Å; H29-I32 PolarHBondContact O-N 3.42Å; H29-S33 PolarHBondContact O-N 2.89Å; H29-S33 PolarHBondContact O-OG 3.32Å
30	H	38.3	Very low	43.3	Very low	137 Å²	137	133.2 Å²	133.2	63%	0.634	65%	0.653	S	S	*	*	H	α-helix	trans	-66.6	-29.5	176.7	-127.1	-68.7	0	0	0	112.8	Q26 F28 S33 S34	Q26-H30 WeakPolarHBondContact O-CB 3.34Å; Q26-H30 PolarHBondContact O-N 3.01Å; F28-H30 PolarHBondContact O-N 3.13Å; H30-S33 WeakPolarHBondContact CA-OG 3.39Å; H30-S33 PolarHBondContact O-OG 3.06Å; H30-S34 WeakPolarHBondContact O-CB 3.42Å; H30-S34 PolarHBondContact O-N 3.29Å; H30-S34 PolarHBondContact O-OG 2.81Å
31	R	32.1	Very low	41.4	Very low	190 Å²	190	136.8 Å²	136.8	72%	0.717	67%	0.667	S	S	*	*	H	α-helix	trans	-77.4	-29.2	179.1	-135.5	-179.9	-171.7	-172.6	0.2	113.2	F28 H29 S35	F28-R31 PolarHBondContact O-N 3.44Å; H29-R31 VanDerWaalsContact C-N 3.27Å; H29-R31 PolarHBondContact O-N 2.94Å; R31-S35 PolarHBondContact O-OG 3.44Å
32	I	34.6	Very low	39.6	Very low	110 Å²	110	138.7 Å²	138.7	56%	0.564	68%	0.677	S	S	*	*	H	α-helix	trans	-75.6	-31.2	175	-60.2	173.9	0	0	0	110.8	H29	H29-I32 PolarHBondContact O-N 3.42Å
33	S	33	Very low	37.7	Very low	73 Å²	73	144.7 Å²	144.7	51%	0.51	69%	0.694	S	S	.	*	H	α-helix	trans	-83.4	-33.5	177.8	45.3	0	0	0	0	113.5	H29 H30 S35	H29-S33 PolarHBondContact O-N 2.89Å; H29-S33 PolarHBondContact O-OG 3.32Å; H30-S33 WeakPolarHBondContact CA-OG 3.39Å; H30-S33 PolarHBondContact O-OG 3.06Å; S33-S35 VanDerWaalsContact C-N 3.31Å; S33-S35 PolarHBondContact O-N 2.75Å
34	S	31.3	Very low	35.8	Very low	92 Å²	92	149.6 Å²	149.6	64%	0.643	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	1.4	-178.6	79	0	0	0	0	115.3	H30	H30-S34 WeakPolarHBondContact O-CB 3.42Å; H30-S34 PolarHBondContact O-N 3.29Å; H30-S34 PolarHBondContact O-OG 2.81Å
35	S	31	Very low	34.3	Very low	86 Å²	86	148 Å²	148	60%	0.601	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	9	177.9	48.4	0	0	0	0	113.5	R31 S33 S37	R31-S35 PolarHBondContact O-OG 3.44Å; S33-S35 VanDerWaalsContact C-N 3.31Å; S33-S35 PolarHBondContact O-N 2.75Å; S35-S37 PolarHBondContact O-N 2.89Å
36	R	26.6	Very low	32.9	Very low	222 Å²	222	148.5 Å²	148.5	84%	0.838	73%	0.73	S	S	*	*			trans	-89.2	72.4	168.5	-79.7	-179.7	166.5	173.8	-3.1	110.4
37	S	30.7	Very low	31.7	Very low	111 Å²	111	149.8 Å²	149.8	78%	0.776	74%	0.741	S	S	*	*			trans	-77.3	123.3	155.1	60.4	0	0	0	0	108	S35 D39	S35-S37 PolarHBondContact O-N 2.89Å; S37-D39 PolarHBondContact O-N 3.48Å; S37-D39 VanDerWaalsContact O-N 3.13Å
38	T	31.6	Very low	30.9	Very low	126 Å²	126	145.8 Å²	145.8	77%	0.773	74%	0.735	S	S	*	*	S	Bend	trans	-60.6	103.8	172.8	47.8	0	0	0	0	109.4
39	D	28.8	Very low	30.1	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	74%	0.74	S	S	*	*			trans	169.6	89.4	148.2	-85.3	-20.2	0	0	0	107.9	S37	S37-D39 PolarHBondContact O-N 3.48Å; S37-D39 VanDerWaalsContact O-N 3.13Å
40	D	28.8	Very low	29.6	Very low	167 Å²	167	148.4 Å²	148.4	89%	0.893	75%	0.751	S	S	*	*			trans	-172.1	77.1	152.8	-96.3	-23.6	0	0	0	108.5	H42	D40-H42 VanDerWaalsContact C-N 3.31Å; D40-H42 PolarHBondContact O-N 3.31Å
41	K	28.8	Very low	29.3	Very low	200 Å²	200	146.3 Å²	146.3	87%	0.87	75%	0.745	S	S	*	*			trans	-89.3	30.4	176.6	-88.8	-171.2	179.7	172.8	0	112.8
42	H	27.9	Very low	29.6	Very low	176 Å²	176	139.8 Å²	139.8	82%	0.815	73%	0.728	S	S	*	*			trans	-148.7	57.5	177	-76.9	-67.3	0	0	0	114.1	D40	D40-H42 VanDerWaalsContact C-N 3.31Å; D40-H42 PolarHBondContact O-N 3.31Å
43	Y	26.9	Very low	29.6	Very low	234 Å²	234	139.9 Å²	139.9	92%	0.918	74%	0.736	S	S	*	*			trans	-147.1	83.6	152.8	-106.8	-85.5	0	0	0	109.4
44	R	21.6	Very low	29.6	Very low	248 Å²	248	145.1 Å²	145.1	94%	0.936	75%	0.745	S	S	*	*			trans	-83.7	141.3	159	-88.5	-176.4	170.7	-179.3	-2.5	107.8
45	S	26.7	Very low	30.1	Very low	120 Å²	120	143.8 Å²	143.8	84%	0.839	73%	0.73	S	S	*	*			trans	84.1	72.7	164.8	-164.4	0	0	0	0	117.6
46	S	26.2	Very low	30.5	Very low	91 Å²	91	147.6 Å²	147.6	64%	0.636	73%	0.733	S	S	*	*				-155.5	125	123.4	57.4	0	0	0	0	109.1	T48	S46-T48 VanDerWaalsContact C-N 3.28Å; S46-T48 PolarHBondContact O-N 3.01Å
47	N	26	Very low	31.2	Very low	162 Å²	162	142.8 Å²	142.8	87%	0.866	72%	0.72	S	S	*	*			trans	-59.3	90.8	170.5	-96.6	-15.1	0	0	0	108.9
48	T	29.6	Very low	31.5	Very low	93 Å²	93	142.7 Å²	142.7	57%	0.571	71%	0.71	S	S	*	*			trans	-114	85.8	161.3	51.1	0	0	0	0	106.2	S46 M50	S46-T48 VanDerWaalsContact C-N 3.28Å; S46-T48 PolarHBondContact O-N 3.01Å; T48-M50 VanDerWaalsContact C-N 3.35Å; T48-M50 PolarHBondContact O-N 3.4Å
49	H	31.7	Very low	31.9	Very low	158 Å²	158	141.3 Å²	141.3	73%	0.731	70%	0.695	S	S	*	*			trans	-53.3	108.5	159.2	-91.8	-85.2	0	0	0	106.2	N51	H49-N51 PolarHBondContact O-N 3.36Å; H49-N51 PolarHBondContact O-OD1 3.24Å
50	M	29.5	Very low	32.2	Very low	171 Å²	171	143 Å²	143	84%	0.842	69%	0.69	S	S	*	*			trans	-66.5	90.8	171.9	-78.1	-73.2	154.6	0	0	106.5	T48 S52	T48-M50 VanDerWaalsContact C-N 3.35Å; T48-M50 PolarHBondContact O-N 3.4Å; M50-S52 PolarHBondContact O-N 2.88Å
51	N	31.5	Very low	32.7	Very low	92 Å²	92	145 Å²	145	49%	0.492	69%	0.686	S	S	.	*			trans	-58.6	129	179.2	-83.3	-0.4	0	0	0	109.2	H49 D55	H49-N51 PolarHBondContact O-N 3.36Å; H49-N51 PolarHBondContact O-OD1 3.24Å; N51-D55 VanDerWaalsContact CA-OD2 3.24Å; N51-D55 WeakPolarHBondContact CA-OD2 3.44Å; N51-D55 HydrophobicContact CB-CB 3.65Å; N51-D55 WeakPolarHBondContact CB-OD2 3.31Å
52	S	38.5	Very low	33	Very low	53 Å²	53	142.1 Å²	142.1	37%	0.371	68%	0.679	S	S	.	*			trans	-55.6	152.1	177.9	165.2	0	0	0	0	109.7	M50 W54 D55	M50-S52 PolarHBondContact O-N 2.88Å; S52-W54 PolarHBondContact O-N 2.95Å; S52-W54 PolarHBondContact OG-N 3.17Å; S52-D55 PolarHBondContact N-OD2 2.97Å; S52-D55 WeakPolarHBondContact O-CB 3.46Å; S52-D55 PolarHBondContact O-N 3.4Å
53	P	35.4	Very low	33.4	Very low	112 Å²	112	139.8 Å²	139.8	73%	0.727	67%	0.672	S	S	*	*	H	α-helix	trans	-49.9	-25.8	173.2	-28.6	35.8	0	0	0	114.2	Y56	P53-Y56 PolarHBondContact O-N 2.87Å
54	W	33.6	Very low	33.7	Very low	184 Å²	184	136.8 Å²	136.8	70%	0.697	67%	0.666	S	S	*	*	H	α-helix	trans	-71.5	-27.6	174.4	-65.3	103.4	0	0	0	114.3	S52 Y56 E57 L58	S52-W54 PolarHBondContact O-N 2.95Å; S52-W54 PolarHBondContact OG-N 3.17Å; W54-Y56 VanDerWaalsContact C-N 3.29Å; W54-Y56 PolarHBondContact O-N 3.18Å; W54-E57 PolarHBondContact O-N 3.29Å; W54-L58 PolarHBondContact O-N 3.41Å; W54-L58 VanDerWaalsContact O-N 3.16Å
55	D	40.2	Very low	34.1	Very low	63 Å²	63	128.1 Å²	128.1	34%	0.337	65%	0.654	S	S	.	*	H	α-helix	trans	-68.8	-30.8	175.8	-72	-39	0	0	0	111.4	N51 S52 Q59	N51-D55 VanDerWaalsContact CA-OD2 3.24Å; N51-D55 WeakPolarHBondContact CA-OD2 3.44Å; N51-D55 HydrophobicContact CB-CB 3.65Å; N51-D55 WeakPolarHBondContact CB-OD2 3.31Å; S52-D55 PolarHBondContact N-OD2 2.97Å; S52-D55 WeakPolarHBondContact O-CB 3.46Å; S52-D55 PolarHBondContact O-N 3.4Å; D55-Q59 WeakPolarHBondContact O-CB 3.27Å; D55-Q59 PolarHBondContact O-N 3.02Å
56	Y	39.2	Very low	34.1	Very low	167 Å²	167	126.4 Å²	126.4	66%	0.655	66%	0.655	S	S	*	*	H	α-helix	trans	-70.3	-35.4	177.4	-114.5	-79	0	0	0	112.7	P53 W54 R60	P53-Y56 PolarHBondContact O-N 2.87Å; W54-Y56 VanDerWaalsContact C-N 3.29Å; W54-Y56 PolarHBondContact O-N 3.18Å; Y56-R60 PolarHBondContact O-N 3.21Å
57	E	41.8	Very low	34.2	Very low	121 Å²	121	134.1 Å²	134.1	57%	0.565	67%	0.67	S	S	*	*	H	α-helix	trans	-72.3	-41.4	174.8	-91.7	-173	160	0	0	112	W54 Q59 R60 Y61	W54-E57 PolarHBondContact O-N 3.29Å; E57-Q59 VanDerWaalsContact C-N 3.33Å; E57-Q59 PolarHBondContact O-N 3.37Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-Y61 PolarHBondContact O-N 3.46Å
58	L	37.7	Very low	34.1	Very low	109 Å²	109	135.8 Å²	135.8	57%	0.571	67%	0.673	S	S	*	*	H	α-helix	trans	-62.5	-41.2	174	-105.4	147	0	0	0	111.7	W54 Y61 L62	W54-L58 PolarHBondContact O-N 3.41Å; W54-L58 VanDerWaalsContact O-N 3.16Å; L58-Y61 PolarHBondContact O-N 3.36Å; L58-L62 WeakPolarHBondContact O-CG 3.46Å; L58-L62 PolarHBondContact O-N 3.16Å
59	Q	39.4	Very low	33.9	Very low	97 Å²	97	136.4 Å²	136.4	45%	0.453	68%	0.681	S	S	.	*	H	α-helix	trans	-69.1	-35.8	176.8	-162.7	171.2	16.4	0	0	112	D55 E57 L62 I63	D55-Q59 WeakPolarHBondContact O-CB 3.27Å; D55-Q59 PolarHBondContact O-N 3.02Å; E57-Q59 VanDerWaalsContact C-N 3.33Å; E57-Q59 PolarHBondContact O-N 3.37Å; Q59-L62 PolarHBondContact O-N 2.99Å; Q59-I63 HydrophobicContact CG-CD1 3.88Å; Q59-I63 WeakPolarHBondContact O-CD1 3.25Å; Q59-I63 VanDerWaalsContact O-CG1 3.24Å; Q59-I63 WeakPolarHBondContact O-CG1 3.35Å; Q59-I63 PolarHBondContact O-N 3.45Å; Q59-I63 VanDerWaalsContact O-N 3.13Å
60	R	36.1	Very low	33.5	Very low	185 Å²	185	136.7 Å²	136.7	70%	0.698	69%	0.687	S	S	*	*	H	α-helix	trans	-61.8	-41.8	170.2	-88.3	-156.7	-163.8	-130.2	8.4	112.3	Y56 E57 L62	Y56-R60 PolarHBondContact O-N 3.21Å; E57-R60 PolarHBondContact O-N 2.88Å; R60-L62 VanDerWaalsContact C-N 3.31Å; R60-L62 PolarHBondContact O-N 3.15Å
61	Y	38.3	Very low	33.2	Very low	209 Å²	209	134.7 Å²	134.7	82%	0.82	69%	0.685	S	S	*	*	H	α-helix	trans	-67	-33.7	179.5	-117.7	-82.3	0	0	0	112.3	E57 L58	E57-Y61 PolarHBondContact O-N 3.46Å; L58-Y61 PolarHBondContact O-N 3.36Å
62	L	36.1	Very low	33	Very low	139 Å²	139	135.8 Å²	135.8	73%	0.728	70%	0.697	S	S	*	*	H	α-helix	trans	-78.4	-29.7	-179.8	-76.4	163.3	0	0	0	113.9	L58 Q59 R60	L58-L62 WeakPolarHBondContact O-CG 3.46Å; L58-L62 PolarHBondContact O-N 3.16Å; Q59-L62 PolarHBondContact O-N 2.99Å; R60-L62 VanDerWaalsContact C-N 3.31Å; R60-L62 PolarHBondContact O-N 3.15Å
63	I	35.3	Very low	32.3	Very low	127 Å²	127	140.8 Å²	140.8	65%	0.651	72%	0.719	S	S	*	*	H	α-helix	trans	-78.1	-23.9	-176.5	-69.3	168.7	0	0	0	112.4	Q59 G65	Q59-I63 HydrophobicContact CG-CD1 3.88Å; Q59-I63 WeakPolarHBondContact O-CD1 3.25Å; Q59-I63 VanDerWaalsContact O-CG1 3.24Å; Q59-I63 WeakPolarHBondContact O-CG1 3.35Å; Q59-I63 PolarHBondContact O-N 3.45Å; Q59-I63 VanDerWaalsContact O-N 3.13Å; I63-G65 PolarHBondContact O-N 2.93Å
64	Q	33.8	Very low	31.5	Very low	172 Å²	172	145.9 Å²	145.9	80%	0.804	72%	0.723	S	S	*	*	S	Bend	trans	-85.2	58.2	177.9	-68.1	-173.9	-9.5	0	0	113
65	G	30.3	Very low	31.1	Very low	66 Å²	66	145.4 Å²	145.4	68%	0.68	73%	0.734	S	S	*	*			trans	50.2	85.8	144	0	0	0	0	0	119.7	I63	I63-G65 PolarHBondContact O-N 2.93Å
66	G	26.8	Very low	30.3	Very low	84 Å²	84	149.5 Å²	149.5	87%	0.866	75%	0.751	S	S	*	*			trans	-81.8	116.3	155.4	0	0	0	0	0	111.2
67	R	28	Very low	29.6	Very low	252 Å²	252	148.5 Å²	148.5	95%	0.951	76%	0.757	S	S	*	*			trans	-108.5	136.6	164.2	-92	-165.3	-175.2	-158.6	3.4	110.8
68	Q	24.1	Very low	28.8	Very low	197 Å²	197	148.8 Å²	148.8	92%	0.921	77%	0.767	S	S	*	*			trans	-82.1	139.8	178.1	-65.2	164.1	-21.1	0	0	111.6
69	S	24.3	Very low	28.3	Very low	107 Å²	107	154 Å²	154	75%	0.748	79%	0.785	S	S	*	*			trans	-170.7	118.7	133	68.5	0	0	0	0	113.1
70	L	24	Very low	27.8	Very low	163 Å²	163	160.9 Å²	160.9	85%	0.853	81%	0.807	S	S	*	*			trans	55.9	111.4	136.5	-66.9	155.2	0	0	0	122.2
71	T	22.8	Very low	27.5	Very low	129 Å²	129	157 Å²	157	79%	0.791	81%	0.809	S	S	*	*			trans	-30.2	150.9	147.1	35.6	0	0	0	0	117.2
72	P	26.5	Very low	27.2	Very low	116 Å²	116	155.1 Å²	155.1	75%	0.753	81%	0.811	S	S	*	*				-152.6	165.4	76.3	39.7	-18.8	0	0	0	119.8
73	L	24.2	Very low	27.3	Very low	158 Å²	158	152.3 Å²	152.3	83%	0.827	79%	0.794	S	S	*	*			trans	77.9	86.8	151.7	-69.1	161	0	0	0	122.6
74	R	20	Very low	27.5	Very low	218 Å²	218	149.7 Å²	149.7	82%	0.823	79%	0.787	S	S	*	*				31.7	101.1	114.7	-152.7	179.5	-164.5	177.2	3.5	118.8
75	L	25	Very low	27.7	Very low	175 Å²	175	145.2 Å²	145.2	92%	0.916	78%	0.779	S	S	*	*			trans	-136.7	128	146.5	-113.9	134.6	0	0	0	109.1
76	Q	22.7	Very low	27.9	Very low	148 Å²	148	144 Å²	144	69%	0.692	77%	0.767	S	S	*	*			trans	-73	133.7	177.9	-64.5	172.1	-27.5	0	0	109.2
77	N	25.3	Very low	28.9	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	74%	0.743	S	S	*	*			trans	173.9	133.8	130.7	-86.1	-23.7	0	0	0	114.4
78	T	24.5	Very low	29.8	Very low	128 Å²	128	138 Å²	138	79%	0.785	73%	0.726	S	S	*	*			trans	48	91.7	152.3	59.5	0	0	0	0	119.8	R80	T78-R80 PolarHBondContact O-N 2.88Å
79	K	27.3	Very low	30.8	Very low	219 Å²	219	134.2 Å²	134.2	95%	0.952	71%	0.712	S	S	*	*			trans	-56.2	112.2	166.9	-73.4	177.2	174.7	178.2	0	111.8
80	R	27.7	Very low	31.8	Very low	240 Å²	240	134.8 Å²	134.8	91%	0.906	71%	0.706	S	S	*	*			trans	-90	117.2	157.5	-77.3	-174.5	176.7	-168.3	-0.7	109	T78	T78-R80 PolarHBondContact O-N 2.88Å
81	S	31.1	Very low	33.2	Very low	105 Å²	105	131.6 Å²	131.6	73%	0.734	69%	0.685	S	S	*	*			trans	-77.5	117.7	174.1	174.1	0	0	0	0	109.7	Q83	S81-Q83 PolarHBondContact O-N 3.43Å
82	I	32	Very low	34.8	Very low	168 Å²	168	130.2 Å²	130.2	86%	0.862	67%	0.67	S	S	*	*			trans	-84.7	107.6	176.5	-62.5	168.3	0	0	0	107.5
83	Q	37.9	Very low	35.9	Very low	80 Å²	80	132.4 Å²	132.4	37%	0.374	66%	0.664	S	S	.	*			trans	-95	142.2	174.8	-68.8	-174.1	-31	0	0	110.4	S81	S81-Q83 PolarHBondContact O-N 3.43Å
84	S	39.5	Very low	37.4	Very low	72 Å²	72	131.1 Å²	131.1	50%	0.503	65%	0.654	S	S	.	*			trans	-62.1	157.7	175.7	80.5	0	0	0	0	111.9	G86 S87 R88	S84-G86 VanDerWaalsContact C-N 3.25Å; S84-G86 PolarHBondContact O-N 3.09Å; S84-S87 CarbonylContact O-C 3.5Å; S84-S87 WeakPolarHBondContact O-CA 3.34Å; S84-S87 WeakPolarHBondContact O-CB 3.48Å; S84-S87 PolarHBondContact O-N 3.13Å; S84-S87 PolarHBondContact OG-N 3.28Å; S84-S87 PolarHBondContact OG-OG 2.9Å; S84-R88 PolarHBondContact O-N 3.06Å
85	A	37.4	Very low	39.3	Very low	78 Å²	78	124.6 Å²	124.6	65%	0.645	63%	0.634	S	S	*	*	H	α-helix	trans	-55.6	-38.2	-179.5	0	0	0	0	0	113.1	R88 L89	A85-R88 PolarHBondContact O-N 3.02Å; A85-L89 WeakPolarHBondContact O-CG 3.5Å; A85-L89 PolarHBondContact O-N 3.01Å
86	G	35.4	Very low	40.5	Very low	42 Å²	42	123.4 Å²	123.4	43%	0.433	62%	0.618	S	S	.	*	H	α-helix	trans	-68.3	-39	174.7	0	0	0	0	0	113	S84 R88 L89 L90	S84-G86 VanDerWaalsContact C-N 3.25Å; S84-G86 PolarHBondContact O-N 3.09Å; G86-R88 VanDerWaalsContact C-N 3.35Å; G86-L89 PolarHBondContact O-N 2.87Å; G86-L90 WeakPolarHBondContact O-CB 3.46Å; G86-L90 WeakPolarHBondContact O-CG 3.32Å; G86-L90 PolarHBondContact O-N 3.29Å
87	S	47.5	Very low	41.7	Very low	51 Å²	51	122.1 Å²	122.1	36%	0.357	61%	0.612	S	S	.	*	H	α-helix	trans	-68.8	-33.8	175.2	-49.8	0	0	0	0	112.3	S84 K91	S84-S87 CarbonylContact O-C 3.5Å; S84-S87 WeakPolarHBondContact O-CA 3.34Å; S84-S87 WeakPolarHBondContact O-CB 3.48Å; S84-S87 PolarHBondContact O-N 3.13Å; S84-S87 PolarHBondContact OG-N 3.28Å; S84-S87 PolarHBondContact OG-OG 2.9Å; S87-K91 VanDerWaalsContact O-CB 3.3Å; S87-K91 WeakPolarHBondContact O-CB 3.47Å; S87-K91 PolarHBondContact O-N 3.32Å
88	R	45.9	Very low	42.5	Very low	157 Å²	157	117.9 Å²	117.9	59%	0.592	59%	0.593	S	S	*	*	H	α-helix	trans	-68.8	-42.6	176.2	-168.7	177.6	177.9	158.1	2.5	111.2	S84 A85 G86 K91 E92	S84-R88 PolarHBondContact O-N 3.06Å; A85-R88 PolarHBondContact O-N 3.02Å; G86-R88 VanDerWaalsContact C-N 3.35Å; R88-K91 PolarHBondContact O-N 3.15Å; R88-E92 IonicContact NE-OE1 3.72Å; R88-E92 PolarHBondContact NE-OE1 2.74Å; R88-E92 WeakPolarHBondContact O-CB 3.01Å; R88-E92 WeakPolarHBondContact O-CG 3.45Å; R88-E92 PolarHBondContact O-N 3.39Å
89	L	46.1	Very low	43.8	Very low	118 Å²	118	116.6 Å²	116.6	62%	0.618	58%	0.578	S	S	*	*	H	α-helix	trans	-64.7	-42.4	174.1	-74.2	172	0	0	0	112	A85 G86 K91 E92 Y93	A85-L89 WeakPolarHBondContact O-CG 3.5Å; A85-L89 PolarHBondContact O-N 3.01Å; G86-L89 PolarHBondContact O-N 2.87Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.08Å; L89-E92 PolarHBondContact O-N 2.98Å; L89-Y93 WeakPolarHBondContact O-CB 3.45Å; L89-Y93 PolarHBondContact O-N 3.44Å
90	L	45.2	Very low	44.8	Very low	119 Å²	119	113.1 Å²	113.1	62%	0.623	56%	0.56	S	S	*	*	H	α-helix	trans	-62.8	-40.8	175.6	-82.1	160.8	0	0	0	111.9	G86 Y93 E94	G86-L90 WeakPolarHBondContact O-CB 3.46Å; G86-L90 WeakPolarHBondContact O-CG 3.32Å; G86-L90 PolarHBondContact O-N 3.29Å; L90-Y93 PolarHBondContact O-N 2.77Å; L90-E94 WeakPolarHBondContact O-CG 3.5Å; L90-E94 PolarHBondContact O-N 3.02Å
91	K	53.9	Low	45.4	Very low	97 Å²	97	108.1 Å²	108.1	42%	0.422	55%	0.547	S	S	.	.	H	α-helix	trans	-74.3	-35.9	178.5	-149.6	175	-168.9	-172.6	0	112.7	S87 R88 L89 Y93 E94 I95	S87-K91 VanDerWaalsContact O-CB 3.3Å; S87-K91 WeakPolarHBondContact O-CB 3.47Å; S87-K91 PolarHBondContact O-N 3.32Å; R88-K91 PolarHBondContact O-N 3.15Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.08Å; K91-Y93 VanDerWaalsContact C-N 3.26Å; K91-Y93 PolarHBondContact O-N 2.77Å; K91-E94 PolarHBondContact O-N 2.97Å; K91-I95 HydrophobicContact CG-CD1 4.35Å; K91-I95 WeakPolarHBondContact O-CB 3.22Å; K91-I95 WeakPolarHBondContact O-CD1 3.47Å; K91-I95 WeakPolarHBondContact O-CG1 3.46Å; K91-I95 PolarHBondContact O-N 2.94Å
92	E	56.3	Low	45.9	Very low	99 Å²	99	109.4 Å²	109.4	46%	0.463	54%	0.542	S	S	.	.	H	α-helix	trans	-62.9	-35	170.1	-84.3	170.6	-170.2	0	0	111	R88 L89 R96	R88-E92 IonicContact NE-OE1 3.72Å; R88-E92 PolarHBondContact NE-OE1 2.74Å; R88-E92 WeakPolarHBondContact O-CB 3.01Å; R88-E92 WeakPolarHBondContact O-CG 3.45Å; R88-E92 PolarHBondContact O-N 3.39Å; L89-E92 PolarHBondContact O-N 2.98Å; E92-R96 WeakPolarHBondContact O-CB 3.06Å; E92-R96 PolarHBondContact O-N 3.43Å
93	Y	48.5	Very low	46.2	Very low	162 Å²	162	105.9 Å²	105.9	64%	0.635	52%	0.522	S	S	*	.	H	α-helix	trans	-72.3	-43.6	174.9	-148.7	-89	0	0	0	112.3	L89 L90 K91 R96 E97	L89-Y93 WeakPolarHBondContact O-CB 3.45Å; L89-Y93 PolarHBondContact O-N 3.44Å; L90-Y93 PolarHBondContact O-N 2.77Å; K91-Y93 VanDerWaalsContact C-N 3.26Å; K91-Y93 PolarHBondContact O-N 2.77Å; Y93-R96 PolarHBondContact O-N 2.99Å; Y93-E97 PolarHBondContact O-N 2.79Å
94	E	56.1	Low	46.3	Very low	132 Å²	132	109.1 Å²	109.1	62%	0.617	54%	0.537	S	S	*	.	H	α-helix	trans	-63.1	-42.1	174.7	-79.2	175.9	169.4	0	0	112	L90 K91 R96 E97 S98	L90-E94 WeakPolarHBondContact O-CG 3.5Å; L90-E94 PolarHBondContact O-N 3.02Å; K91-E94 PolarHBondContact O-N 2.97Å; E94-R96 VanDerWaalsContact C-N 3.31Å; E94-R96 PolarHBondContact O-N 2.73Å; E94-E97 PolarHBondContact O-N 2.83Å; E94-S98 PolarHBondContact O-N 3.28Å; E94-S98 PolarHBondContact O-OG 2.83Å
95	I	59.4	Low	46.1	Very low	80 Å²	80	113 Å²	113	41%	0.41	55%	0.547	S	S	.	.	H	α-helix	trans	-61.7	-42.9	174.2	-69.6	163.5	0	0	0	109.9	K91 E97 S98 E99	K91-I95 HydrophobicContact CG-CD1 4.35Å; K91-I95 WeakPolarHBondContact O-CB 3.22Å; K91-I95 WeakPolarHBondContact O-CD1 3.47Å; K91-I95 WeakPolarHBondContact O-CG1 3.46Å; K91-I95 PolarHBondContact O-N 2.94Å; I95-E97 PolarHBondContact O-N 3.35Å; I95-S98 WeakPolarHBondContact CA-OG 3.18Å; I95-S98 PolarHBondContact O-N 2.9Å; I95-S98 PolarHBondContact O-OG 3.06Å; I95-E99 HydrophobicContact CG2-CG 4.25Å; I95-E99 WeakPolarHBondContact CG2-OE1 3.12Å; I95-E99 WeakPolarHBondContact O-CB 3.47Å; I95-E99 WeakPolarHBondContact O-CG 3.34Å; I95-E99 PolarHBondContact O-N 3.27Å
96	R	51.4	Low	46.4	Very low	151 Å²	151	114 Å²	114	57%	0.57	55%	0.545	S	S	*	.	H	α-helix	trans	-63	-42.6	177.3	-128.2	-179.6	176.9	93.5	1.9	112.1	E92 Y93 E94 E99 Y100	E92-R96 WeakPolarHBondContact O-CB 3.06Å; E92-R96 PolarHBondContact O-N 3.43Å; Y93-R96 PolarHBondContact O-N 2.99Å; E94-R96 VanDerWaalsContact C-N 3.31Å; E94-R96 PolarHBondContact O-N 2.73Å; R96-E99 PolarHBondContact O-N 3.38Å; R96-Y100 HydrophobicContact CG-CD2 4.35Å; R96-Y100 HydrophobicContact CG-CE2 4.06Å; R96-Y100 WeakPolarHBondContact O-CD2 3.34Å; R96-Y100 PolarHBondContact O-N 2.83Å
97	E	47.8	Very low	46.3	Very low	120 Å²	120	118 Å²	118	56%	0.561	55%	0.55	S	S	*	*	H	α-helix	trans	-63.7	-39.4	176.4	-84.5	-153.3	165.8	0	0	112.1	Y93 E94 I95 Y100 Q101	Y93-E97 PolarHBondContact O-N 2.79Å; E94-E97 PolarHBondContact O-N 2.83Å; I95-E97 PolarHBondContact O-N 3.35Å; E97-Y100 PolarHBondContact O-N 3.45Å; E97-Q101 WeakPolarHBondContact O-CG 3.48Å; E97-Q101 PolarHBondContact O-N 3.13Å; E97-Q101 VanDerWaalsContact O-N 3.14Å
98	S	41.9	Very low	45.9	Very low	57 Å²	57	121 Å²	121	40%	0.399	57%	0.566	S	S	.	*	H	α-helix	trans	-67.6	-37.9	173.7	53	0	0	0	0	112.9	E94 I95 Y100 Q101 E102	E94-S98 PolarHBondContact O-N 3.28Å; E94-S98 PolarHBondContact O-OG 2.83Å; I95-S98 WeakPolarHBondContact CA-OG 3.18Å; I95-S98 PolarHBondContact O-N 2.9Å; I95-S98 PolarHBondContact O-OG 3.06Å; S98-Y100 VanDerWaalsContact C-N 3.35Å; S98-Q101 PolarHBondContact O-N 3.39Å; S98-E102 PolarHBondContact O-N 2.87Å
99	E	52.1	Low	45.3	Very low	101 Å²	101	120.5 Å²	120.5	47%	0.472	58%	0.575	S	S	.	*	H	α-helix	trans	-66.8	-35.7	176.1	-76.3	174.6	176.2	0	0	111.6	I95 R96 E103	I95-E99 HydrophobicContact CG2-CG 4.25Å; I95-E99 WeakPolarHBondContact CG2-OE1 3.12Å; I95-E99 WeakPolarHBondContact O-CB 3.47Å; I95-E99 WeakPolarHBondContact O-CG 3.34Å; I95-E99 PolarHBondContact O-N 3.27Å; R96-E99 PolarHBondContact O-N 3.38Å; E99-E103 VanDerWaalsContact O-CB 3.26Å; E99-E103 WeakPolarHBondContact O-CB 3.48Å; E99-E103 WeakPolarHBondContact O-CG 3.46Å; E99-E103 PolarHBondContact O-N 2.99Å
100	Y	46.8	Very low	44.5	Very low	146 Å²	146	119.2 Å²	119.2	57%	0.573	58%	0.576	S	S	*	*	H	α-helix	trans	-67	-35.5	173.2	-86.9	-70	0	0	0	112.4	R96 E97 S98 E104	R96-Y100 HydrophobicContact CG-CD2 4.35Å; R96-Y100 HydrophobicContact CG-CE2 4.06Å; R96-Y100 WeakPolarHBondContact O-CD2 3.34Å; R96-Y100 PolarHBondContact O-N 2.83Å; E97-Y100 PolarHBondContact O-N 3.45Å; S98-Y100 VanDerWaalsContact C-N 3.35Å; Y100-E104 PolarHBondContact O-N 3Å; Y100-E104 VanDerWaalsContact O-N 3.12Å
101	Q	41.6	Very low	43.7	Very low	136 Å²	136	122.7 Å²	122.7	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-73.1	-37.7	176.6	-71	-176.5	1.6	0	0	112.4	E97 S98 E105	E97-Q101 WeakPolarHBondContact O-CG 3.48Å; E97-Q101 PolarHBondContact O-N 3.13Å; E97-Q101 VanDerWaalsContact O-N 3.14Å; S98-Q101 PolarHBondContact O-N 3.39Å; Q101-E105 PolarHBondContact O-N 3.44Å
102	E	40.2	Very low	42.3	Very low	132 Å²	132	126.7 Å²	126.7	62%	0.617	61%	0.611	S	S	*	*	H	α-helix	trans	-72.8	-36.4	174	-74.7	-176.7	176.2	0	0	112.4	S98 E105 V106	S98-E102 PolarHBondContact O-N 2.87Å; E102-E105 PolarHBondContact O-N 3.29Å; E102-V106 WeakPolarHBondContact O-CB 2.93Å; E102-V106 VanDerWaalsContact O-CG2 3.28Å; E102-V106 WeakPolarHBondContact O-CG2 3.28Å; E102-V106 PolarHBondContact O-N 2.88Å
103	E	39.8	Very low	40.8	Very low	93 Å²	93	125.2 Å²	125.2	44%	0.435	62%	0.623	S	S	.	*	H	α-helix	trans	-67.9	-33.1	175.5	-81.2	-165.8	-170.2	0	0	112.8	E99 K107	E99-E103 VanDerWaalsContact O-CB 3.26Å; E99-E103 WeakPolarHBondContact O-CB 3.48Å; E99-E103 WeakPolarHBondContact O-CG 3.46Å; E99-E103 PolarHBondContact O-N 2.99Å; E103-K107 WeakPolarHBondContact O-CB 3.45Å; E103-K107 WeakPolarHBondContact O-CD 3.38Å; E103-K107 WeakPolarHBondContact O-CG 3.44Å; E103-K107 PolarHBondContact O-N 2.95Å; E103-K107 IonicContact OE2-NZ 3.63Å; E103-K107 PolarHBondContact OE2-NZ 3.21Å
104	E	39.5	Very low	39.6	Very low	149 Å²	149	125.5 Å²	125.5	70%	0.696	64%	0.635	S	S	*	*	H	α-helix	trans	-69	-38.1	172.6	-81.3	-162.9	160.1	0	0	112	Y100 V108	Y100-E104 PolarHBondContact O-N 3Å; Y100-E104 VanDerWaalsContact O-N 3.12Å; E104-V108 WeakPolarHBondContact O-CG2 3.46Å; E104-V108 PolarHBondContact O-N 2.94Å
105	E	36.2	Very low	37.9	Very low	152 Å²	152	128.1 Å²	128.1	71%	0.71	65%	0.648	S	S	*	*	H	α-helix	trans	-69.3	-33.1	174.5	-78.7	-168.7	159.9	0	0	113	Q101 E102	Q101-E105 PolarHBondContact O-N 3.44Å; E102-E105 PolarHBondContact O-N 3.29Å
106	V	42	Very low	36.1	Very low	99 Å²	99	133.1 Å²	133.1	60%	0.6	67%	0.669	S	S	*	*	H	α-helix	trans	-79.9	-30.2	177.8	176.1	0	0	0	0	112.5	E102 V108 N109 S110	E102-V106 WeakPolarHBondContact O-CB 2.93Å; E102-V106 VanDerWaalsContact O-CG2 3.28Å; E102-V106 WeakPolarHBondContact O-CG2 3.28Å; E102-V106 PolarHBondContact O-N 2.88Å; V106-V108 VanDerWaalsContact C-N 3.34Å; V106-V108 PolarHBondContact O-N 3.34Å; V106-N109 PolarHBondContact O-N 3.49Å; V106-S110 PolarHBondContact O-OG 3.39Å
107	K	34.5	Very low	34.7	Very low	126 Å²	126	134.8 Å²	134.8	55%	0.548	68%	0.681	S	S	.	*	H	α-helix	trans	-75.6	-17.8	178.6	-79.7	167.9	179	157.3	0	113.9	E103	E103-K107 WeakPolarHBondContact O-CB 3.45Å; E103-K107 WeakPolarHBondContact O-CD 3.38Å; E103-K107 WeakPolarHBondContact O-CG 3.44Å; E103-K107 PolarHBondContact O-N 2.95Å; E103-K107 IonicContact OE2-NZ 3.63Å; E103-K107 PolarHBondContact OE2-NZ 3.21Å
108	V	39.1	Very low	33.5	Very low	114 Å²	114	137.8 Å²	137.8	69%	0.691	69%	0.694	S	S	*	*	H	α-helix	trans	-77.5	-25.4	173.3	175.4	0	0	0	0	112	E104 V106	E104-V108 WeakPolarHBondContact O-CG2 3.46Å; E104-V108 PolarHBondContact O-N 2.94Å; V106-V108 VanDerWaalsContact C-N 3.34Å; V106-V108 PolarHBondContact O-N 3.34Å
109	N	32.8	Very low	32.5	Very low	147 Å²	147	141.7 Å²	141.7	79%	0.786	71%	0.71	S	S	*	*	S	Bend	trans	-103.2	15.1	-173.3	-76.4	-21.5	0	0	0	116.3	V106	V106-N109 PolarHBondContact O-N 3.49Å
110	S	29.8	Very low	31.4	Very low	91 Å²	91	143.9 Å²	143.9	64%	0.636	72%	0.724	S	S	*	*	S	Bend	trans	-133	19.7	177.9	56.4	0	0	0	0	115.9	V106	V106-S110 PolarHBondContact O-OG 3.39Å
111	K	28.3	Very low	30.2	Very low	193 Å²	193	141.4 Å²	141.4	84%	0.839	73%	0.728	S	S	*	*			trans	-100.1	71.7	166.2	-80.3	-176	177.4	176.7	0	111.4
112	L	24.2	Very low	29.4	Very low	180 Å²	180	141.2 Å²	141.2	94%	0.942	73%	0.731	S	S	*	*			trans	-149.4	108	158.8	-144.3	88.9	0	0	0	108.1
113	G	23.8	Very low	28.8	Very low	68 Å²	68	143.7 Å²	143.7	70%	0.701	74%	0.743	S	S	*	*			trans	145.5	98.6	167.9	0	0	0	0	0	117
114	N	24	Very low	27.9	Very low	169 Å²	169	144.3 Å²	144.3	90%	0.904	75%	0.752	S	S	*	*			trans	91.1	107.8	141.3	-63.9	-5.2	0	0	0	121.5
115	E	20	Very low	27.3	Very low	187 Å²	187	144.8 Å²	144.8	87%	0.874	76%	0.76	S	S	*	*			trans	-63.7	151.2	157.9	-53.8	170.1	141.4	0	0	113.3
116	Q	23	Very low	26.6	Very low	185 Å²	185	145.2 Å²	145.2	86%	0.864	76%	0.759	S	S	*	*			trans	166.3	106.7	141.2	-93.1	171.3	15.8	0	0	108.3
117	K	20.5	Very low	25.7	Very low	186 Å²	186	145.9 Å²	145.9	81%	0.809	76%	0.759	S	S	*	*				52.7	114.8	92.5	-78.3	-170.1	177.6	-178.3	0	115.2
118	H	23.8	Very low	25.5	Very low	183 Å²	183	147.1 Å²	147.1	85%	0.847	77%	0.772	S	S	*	*				-171.1	140.4	114.5	-102.5	-68.1	0	0	0	113.2
119	D	21.4	Very low	24.7	Very low	138 Å²	138	146.5 Å²	146.5	74%	0.738	78%	0.779	S	S	*	*			trans	-73.6	174.7	-179.2	-59.9	-63.3	0	0	0	115.3
120	I	27.4	Very low	24.3	Very low	148 Å²	148	143.4 Å²	143.4	76%	0.759	77%	0.774	S	S	*	*			trans	151.3	103	132.4	-77.5	165.4	0	0	0	108.4
121	S	23	Very low	24.1	Very low	93 Å²	93	147.3 Å²	147.3	65%	0.65	78%	0.782	S	S	*	*				73.5	148.8	95.3	99.2	0	0	0	0	112.8
122	D	23.3	Very low	23.9	Very low	133 Å²	133	144.3 Å²	144.3	71%	0.711	78%	0.775	S	S	*	*			cis	-176.9	146.1	-2.8	-106.1	-25.4	0	0	0	103.9
123	H	27.4	Very low	24.1	Very low	184 Å²	184	141.7 Å²	141.7	85%	0.852	77%	0.767	S	S	*	*				157.9	131.5	123.4	-95.8	-68	0	0	0	114.2
124	V	21.9	Very low	24.1	Very low	105 Å²	105	142.6 Å²	142.6	64%	0.636	77%	0.767	S	S	*	*			trans	-99.3	148.8	-178.2	167	0	0	0	0	109.7	K126	V124-K126 HydrophobicContact CG1-CB 4.5Å; V124-K126 HydrophobicContact CG1-CD 4.4Å; V124-K126 HydrophobicContact CG1-CG 4.06Å
125	N	26.8	Very low	24.2	Very low	160 Å²	160	142.1 Å²	142.1	86%	0.856	77%	0.765	S	S	*	*			trans	-162.7	117.9	143.6	-86	-26.3	0	0	0	105.2
126	K	21.7	Very low	24.4	Very low	161 Å²	161	137.2 Å²	137.2	70%	0.7	76%	0.756	S	S	*	*			cis	52.8	133.9	48.6	-76.5	-167.2	151.2	-146.5	0	112.4	V124	V124-K126 HydrophobicContact CG1-CB 4.5Å; V124-K126 HydrophobicContact CG1-CD 4.4Å; V124-K126 HydrophobicContact CG1-CG 4.06Å
127	D	23.4	Very low	24.6	Very low	113 Å²	113	136.9 Å²	136.9	60%	0.604	76%	0.76	S	S	*	*			cis	-160.3	-172.8	1.2	-94.3	-35.5	0	0	0	105.6
128	D	29.2	Very low	24.8	Very low	152 Å²	152	132.4 Å²	132.4	81%	0.813	76%	0.758	S	S	*	*			trans	106.4	101.1	165.7	-50.3	-25.3	0	0	0	114.2
129	A	24.1	Very low	25.2	Very low	100 Å²	100	129.7 Å²	129.7	83%	0.826	76%	0.757	S	S	*	*				59.8	133.5	52.6	0	0	0	0	0	112
130	A	24.2	Very low	25.4	Very low	83 Å²	83	128.1 Å²	128.1	69%	0.686	76%	0.763	S	S	*	*			cis	-166.4	-178.4	-1.4	0	0	0	0	0	107.5
131	E	24.8	Very low	25.4	Very low	173 Å²	173	127.7 Å²	127.7	81%	0.808	77%	0.767	S	S	*	*			trans	75.3	140.1	159.7	-64.8	173.8	-176.6	0	0	117.1
132	D	24.2	Very low	25.5	Very low	129 Å²	129	127.8 Å²	127.8	69%	0.69	77%	0.773	S	S	*	*			cis	-170.8	166.3	2.2	-122.2	-18.5	0	0	0	111.1
133	T	27.9	Very low	25.8	Very low	126 Å²	126	129.5 Å²	129.5	77%	0.773	78%	0.777	S	S	*	*			trans	68.9	121	158.3	57.6	0	0	0	0	119.1
134	A	23.2	Very low	26	Very low	86 Å²	86	128.6 Å²	128.6	71%	0.711	78%	0.778	S	S	*	*			cis	99.2	145.4	47.5	0	0	0	0	0	112.7
135	D	26.3	Very low	26.6	Very low	160 Å²	160	130.3 Å²	130.3	86%	0.856	78%	0.784	S	S	*	*			trans	86.9	104.2	-178.8	-56.3	-23.9	0	0	0	116.1
136	A	24.1	Very low	27.1	Very low	84 Å²	84	128.5 Å²	128.5	69%	0.694	78%	0.775	S	S	*	*				77.1	93.9	59	0	0	0	0	0	113.1
137	D	27.3	Very low	28.2	Very low	177 Å²	177	128.8 Å²	128.8	95%	0.947	78%	0.778	S	S	*	*			trans	-164	135.7	136	-97.1	-28.6	0	0	0	110.2
138	A	24.8	Very low	28.8	Very low	93 Å²	93	128.1 Å²	128.1	77%	0.769	77%	0.77	S	S	*	*			trans	-113.3	177.9	-178.6	0	0	0	0	0	109.9
139	P	32.7	Very low	29.2	Very low	126 Å²	126	130.1 Å²	130.1	82%	0.818	77%	0.767	S	S	*	*				-113.9	145.4	-93.1	31	-14.8	0	0	0	112.7
140	A	26	Very low	29.6	Very low	105 Å²	105	129.6 Å²	129.6	87%	0.868	75%	0.75	S	S	*	*			trans	-96.2	138.6	166.7	0	0	0	0	0	110.4
141	V	26.4	Very low	30.3	Very low	138 Å²	138	129.7 Å²	129.7	84%	0.836	74%	0.738	S	S	*	*			trans	-53.3	127.3	-171.3	180	0	0	0	0	112.3	E143	V141-E143 PolarHBondContact O-N 2.92Å
142	A	26.2	Very low	30.7	Very low	95 Å²	95	127.3 Å²	127.3	79%	0.785	73%	0.731	S	S	*	*			trans	-72.5	106.7	175.8	0	0	0	0	0	110.1
143	E	29.2	Very low	31.2	Very low	170 Å²	170	125.1 Å²	125.1	79%	0.794	72%	0.715	S	S	*	*			trans	-77.1	140.7	158.7	-69.5	-178.1	166.8	0	0	108.1	V141 D145	V141-E143 PolarHBondContact O-N 2.92Å; E143-D145 PolarHBondContact O-N 3.41Å
144	D	32.3	Very low	31.4	Very low	164 Å²	164	122.8 Å²	122.8	88%	0.877	70%	0.698	S	S	*	*			trans	-52.9	95.6	-171.6	-67.4	-57	0	0	0	112.6	D146	D144-D146 PolarHBondContact O-N 2.89Å
145	D	33.1	Very low	32.3	Very low	141 Å²	141	121.4 Å²	121.4	75%	0.754	69%	0.687	S	S	*	*			trans	-68.7	98.2	168.2	-76.2	-40.9	0	0	0	108.3	E143 E147	E143-D145 PolarHBondContact O-N 3.41Å; D145-E147 PolarHBondContact O-N 3.37Å; D145-E147 VanDerWaalsContact O-N 3.13Å
146	D	38.3	Very low	32.5	Very low	123 Å²	123	121.2 Å²	121.2	66%	0.658	68%	0.678	S	S	*	*			trans	-44.1	121.6	161.5	-79.5	-42.1	0	0	0	108.3	D144 F148	D144-D146 PolarHBondContact O-N 2.89Å; D146-F148 WeakPolarHBondContact O-CD2 3.44Å; D146-F148 VanDerWaalsContact O-CE2 3.29Å; D146-F148 WeakPolarHBondContact O-CE2 3.44Å; D146-F148 PolarHBondContact O-N 2.92Å
147	E	43.6	Very low	33.1	Very low	166 Å²	166	121.9 Å²	121.9	78%	0.776	67%	0.67	S	S	*	*			trans	-56.3	97.3	-176.1	-86.6	-177.8	163.1	0	0	110.5	D145 W149	D145-E147 PolarHBondContact O-N 3.37Å; D145-E147 VanDerWaalsContact O-N 3.13Å; E147-W149 PolarHBondContact O-N 3.45Å
148	F	37.5	Very low	33.3	Very low	100 Å²	100	120.6 Å²	120.6	44%	0.439	65%	0.653	S	S	.	*			trans	-74.9	122.9	175.3	-68.5	-81.2	0	0	0	109.5	D146 T190	D146-F148 WeakPolarHBondContact O-CD2 3.44Å; D146-F148 VanDerWaalsContact O-CE2 3.29Å; D146-F148 WeakPolarHBondContact O-CE2 3.44Å; D146-F148 PolarHBondContact O-N 2.92Å; F148-T190 HydrophobicContact CD1-CG2 4.4Å; F148-T190 HydrophobicContact CE1-CG2 4.06Å
149	W	36.9	Very low	33.4	Very low	194 Å²	194	121.9 Å²	121.9	74%	0.735	66%	0.656	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.6	115.9	169.8	-71.4	61.2	0	0	0	108.8	E147	E147-W149 PolarHBondContact O-N 3.45Å
150	N	32.6	Very low	33.3	Very low	88 Å²	88	121.2 Å²	121.2	47%	0.471	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	118.4	171.6	-68.6	-38.2	0	0	0	108.7	R188	N150-R188 VanDerWaalsContact OD1-CG 3.32Å; N150-R188 WeakPolarHBondContact OD1-CG 3.28Å
151	I	37.9	Very low	33.4	Very low	86 Å²	86	125.6 Å²	125.6	44%	0.441	65%	0.654	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102	111.4	171.2	-58.2	174.2	0	0	0	107.3	F153 S186 L187	I151-F153 HydrophobicContact CB-CE2 4.34Å; I151-F153 HydrophobicContact CB-CZ 4.43Å; I151-F153 HydrophobicContact CG2-CE1 4.28Å; I151-F153 HydrophobicContact CG2-CE2 4.02Å; I151-F153 HydrophobicContact CG2-CZ 3.77Å; I151-F153 WeakPolarHBondContact O-CD2 3.45Å; I151-F153 WeakPolarHBondContact O-CE2 3.2Å; I151-S186 WeakPolarHBondContact O-CA 3.45Å; I151-L187 PolarHBondContact N-O 2.86Å; I151-L187 PolarHBondContact O-N 3Å; I151-L187 VanDerWaalsContact O-N 3.1Å
152	D	34.8	Very low	33.4	Very low	122 Å²	122	127.9 Å²	127.9	65%	0.652	65%	0.653	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.5	130	-178.2	-65.5	-26.7	0	0	0	111.2	S186	D152-S186 VanDerWaalsContact OD1-CB 3.29Å; D152-S186 WeakPolarHBondContact OD1-CB 3.34Å; D152-S186 PolarHBondContact OD1-OG 2.88Å
153	F	33.3	Very low	33.5	Very low	83 Å²	83	132.1 Å²	132.1	36%	0.364	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.9	125.1	177.1	-58.9	-86.6	0	0	0	109.7	I151 Y185 L187	I151-F153 HydrophobicContact CB-CE2 4.34Å; I151-F153 HydrophobicContact CB-CZ 4.43Å; I151-F153 HydrophobicContact CG2-CE1 4.28Å; I151-F153 HydrophobicContact CG2-CE2 4.02Å; I151-F153 HydrophobicContact CG2-CZ 3.77Å; I151-F153 WeakPolarHBondContact O-CD2 3.45Å; I151-F153 WeakPolarHBondContact O-CE2 3.2Å; F153-Y185 WeakPolarHBondContact CB-O 3.42Å; F153-Y185 WeakPolarHBondContact CD2-O 3.46Å; F153-Y185 PolarHBondContact N-O 3.3Å; F153-Y185 PolarHBondContact O-N 3.43Å; F153-L187 HydrophobicContact CE2-CB 3.71Å
154	N	33.7	Very low	33.2	Very low	78 Å²	78	129.1 Å²	129.1	42%	0.417	65%	0.654	S	S	.	*			trans	-96.8	127.6	175.1	-158.6	-12.3	0	0	0	110.2	K156 D157	N154-K156 PolarHBondContact O-N 2.86Å; N154-K156 VanDerWaalsContact O-N 3.08Å; N154-D157 PolarHBondContact O-N 2.85Å
155	A	41.4	Very low	32.9	Very low	57 Å²	57	131.7 Å²	131.7	47%	0.471	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-65	-15.9	-173.1	0	0	0	0	0	114.1	D157	A155-D157 VanDerWaalsContact C-N 3.27Å; A155-D157 PolarHBondContact O-N 2.87Å
156	K	30.6	Very low	32.4	Very low	156 Å²	156	129.8 Å²	129.8	68%	0.678	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-73	-14.8	176.4	-78.8	-171.6	175.2	177.1	0	114.5	N154 Y158	N154-K156 PolarHBondContact O-N 2.86Å; N154-K156 VanDerWaalsContact O-N 3.08Å; K156-Y158 PolarHBondContact O-N 3.45Å
157	D	36.2	Very low	31.7	Very low	97 Å²	97	129.5 Å²	129.5	52%	0.519	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-81	-7.1	179.4	-60.8	-29.8	0	0	0	112.8	N154 A155	N154-D157 PolarHBondContact O-N 2.85Å; A155-D157 VanDerWaalsContact C-N 3.27Å; A155-D157 PolarHBondContact O-N 2.87Å
158	Y	32.5	Very low	30.8	Very low	150 Å²	150	129.1 Å²	129.1	59%	0.588	66%	0.657	S	S	*	*			trans	-133.5	71.8	-175.7	-61.5	-82.2	0	0	0	111.5	K156 S160	K156-Y158 PolarHBondContact O-N 3.45Å; Y158-S160 PolarHBondContact O-N 2.88Å
159	S	25.4	Very low	30.2	Very low	120 Å²	120	127.7 Å²	127.7	84%	0.839	67%	0.67	S	S	*	*			trans	-92.1	86.6	165.1	-176	0	0	0	0	109.9
160	S	32.4	Very low	29.6	Very low	113 Å²	113	125.8 Å²	125.8	79%	0.79	67%	0.674	S	S	*	*			trans	-144	124.6	154.7	60.4	0	0	0	0	110.6	Y158	Y158-S160 PolarHBondContact O-N 2.88Å
161	K	27.3	Very low	29.4	Very low	196 Å²	196	125.1 Å²	125.1	85%	0.852	67%	0.673	S	S	*	*			trans	-64.8	137.2	-172.2	-76.8	167.4	173.6	169.6	0	111.4
162	K	26.1	Very low	28.9	Very low	187 Å²	187	126.8 Å²	126.8	81%	0.813	68%	0.683	S	S	*	*			trans	68.9	97.5	154.5	-62.5	177	178.1	-174.7	0	116.3
163	H	28.5	Very low	28.5	Very low	183 Å²	183	129.5 Å²	129.5	85%	0.847	69%	0.691	S	S	*	*				-165.3	97.4	118.2	-95.5	-66	0	0	0	108.6
164	S	22.8	Very low	28.1	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	70%	0.704	S	S	*	*			trans	-82.7	108.7	172.8	49.7	0	0	0	0	109.6
165	Y	26.2	Very low	27.9	Very low	218 Å²	218	134.7 Å²	134.7	86%	0.855	73%	0.727	S	S	*	*			trans	-142.3	95.3	155.2	-82.6	-71.3	0	0	0	110.2
166	S	22.6	Very low	27.2	Very low	100 Å²	100	139.4 Å²	139.4	70%	0.699	74%	0.744	S	S	*	*			trans	21.7	142.3	134.1	-152.8	0	0	0	0	121.5
167	T	23.6	Very low	27.2	Very low	117 Å²	117	139.7 Å²	139.7	72%	0.718	75%	0.754	S	S	*	*			trans	81.8	127.5	158.1	68.4	0	0	0	0	116.5
168	N	25	Very low	26.9	Very low	159 Å²	159	142.6 Å²	142.6	85%	0.85	77%	0.769	S	S	*	*			cis	-134.1	140.4	23.1	-84.9	-40.4	0	0	0	112.1
169	G	24.3	Very low	26.8	Very low	69 Å²	69	142.7 Å²	142.7	71%	0.711	78%	0.78	S	S	*	*			trans	-75.7	136.3	177.8	0	0	0	0	0	112.5
170	N	25.3	Very low	27.2	Very low	155 Å²	155	144.1 Å²	144.1	83%	0.829	78%	0.778	S	S	*	*			trans	-161.5	137.1	131.3	-91	-19.5	0	0	0	107.3
171	T	28.4	Very low	27.3	Very low	73 Å²	73	146.5 Å²	146.5	45%	0.448	78%	0.782	S	S	.	*			trans	79.3	69	174.9	-3.1	0	0	0	0	116.7
172	L	25.7	Very low	27.4	Very low	122 Å²	122	143 Å²	143	64%	0.639	77%	0.77	S	S	*	*			trans	-126.5	101.8	160.4	-76.6	174	0	0	0	108.6	Y185	L172-Y185 HydrophobicContact CD1-CD1 4.23Å; L172-Y185 HydrophobicContact CD2-CD1 3.68Å; L172-Y185 HydrophobicContact CD2-CG 4.4Å
173	H	26.5	Very low	27.6	Very low	178 Å²	178	141.6 Å²	141.6	82%	0.824	76%	0.764	S	S	*	*			trans	-103.3	107.8	171.6	-98	-64.7	0	0	0	109.3
174	G	26.7	Very low	27.6	Very low	62 Å²	62	136.7 Å²	136.7	64%	0.639	75%	0.75	S	S	*	*			trans	-84.1	132.5	169.8	0	0	0	0	0	110.3
175	K	28.2	Very low	28.1	Very low	209 Å²	209	137 Å²	137	91%	0.909	74%	0.736	S	S	*	*			trans	-107.8	112.2	167.5	-119.9	178.9	179.8	176.2	0	107.5	N177	K175-N177 PolarHBondContact O-N 2.87Å
176	D	26.4	Very low	28.2	Very low	155 Å²	155	128.4 Å²	128.4	83%	0.829	71%	0.707	S	S	*	*			trans	-71.4	109.7	-178.9	-61.3	-41.7	0	0	0	109.6
177	N	31.5	Very low	28.8	Very low	163 Å²	163	127.6 Å²	127.6	87%	0.872	70%	0.695	S	S	*	*			trans	-109.5	116.7	165.5	-105.6	-8.2	0	0	0	108.7	K175 N179	K175-N177 PolarHBondContact O-N 2.87Å; N177-N179 PolarHBondContact O-N 3.31Å
178	N	28.8	Very low	29.2	Very low	157 Å²	157	128 Å²	128	84%	0.84	68%	0.683	S	S	*	*	S	Bend	trans	-59.3	96.2	176.1	-78.8	-28.2	0	0	0	110.7
179	N	31.7	Very low	29.8	Very low	153 Å²	153	123.1 Å²	123.1	82%	0.818	66%	0.657	S	S	*	*	S	Bend	trans	178.2	105.3	141.5	-90	-25.7	0	0	0	108.5	N177	N177-N179 PolarHBondContact O-N 3.31Å
180	N	32.2	Very low	30.5	Very low	149 Å²	149	121.9 Å²	121.9	80%	0.797	64%	0.635	S	S	*	*	S	Bend	trans	45	87	169.2	-69.1	-13.8	0	0	0	117.2
181	D	34.5	Very low	31.3	Very low	164 Å²	164	121.9 Å²	121.9	88%	0.877	63%	0.628	S	S	*	*			trans	43.7	74.7	146.9	-65.5	-17.1	0	0	0	117.8
182	M	29.6	Very low	32	Very low	121 Å²	121	123.3 Å²	123.3	60%	0.596	64%	0.637	S	S	*	*			trans	-129.2	111.4	163.8	-70.3	-72.5	170.3	0	0	109.5
183	K	30.7	Very low	32.8	Very low	158 Å²	158	121.6 Å²	121.6	69%	0.687	63%	0.628	S	S	*	*			trans	-96.8	103.2	173.6	-72.1	-175.1	179.2	-178.4	0	109.8	Y185	K183-Y185 HydrophobicContact CB-CE2 4.17Å
184	S	29.1	Very low	33.4	Very low	81 Å²	81	118.4 Å²	118.4	57%	0.566	62%	0.615	S	S	*	*			trans	-83.6	139.7	169.4	-47.6	0	0	0	0	109.7
185	Y	32.6	Very low	34.1	Very low	114 Å²	114	118.9 Å²	118.9	45%	0.447	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118	138	174.5	-59.7	-86.7	0	0	0	108.9	F153 L172 K183	F153-Y185 WeakPolarHBondContact CB-O 3.42Å; F153-Y185 WeakPolarHBondContact CD2-O 3.46Å; F153-Y185 PolarHBondContact N-O 3.3Å; F153-Y185 PolarHBondContact O-N 3.43Å; L172-Y185 HydrophobicContact CD1-CD1 4.23Å; L172-Y185 HydrophobicContact CD2-CD1 3.68Å; L172-Y185 HydrophobicContact CD2-CG 4.4Å; K183-Y185 HydrophobicContact CB-CE2 4.17Å
186	S	28.4	Very low	34.6	Very low	37 Å²	37	114 Å²	114	26%	0.259	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.7	130.9	-178.1	-165.2	0	0	0	0	109.5	I151 D152	I151-S186 WeakPolarHBondContact O-CA 3.45Å; D152-S186 VanDerWaalsContact OD1-CB 3.29Å; D152-S186 WeakPolarHBondContact OD1-CB 3.34Å; D152-S186 PolarHBondContact OD1-OG 2.88Å
187	L	36.2	Very low	35.3	Very low	84 Å²	84	113.7 Å²	113.7	44%	0.44	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.2	126.8	175.6	-174	69.1	0	0	0	109.7	I151 F153 I189	I151-L187 PolarHBondContact N-O 2.86Å; I151-L187 PolarHBondContact O-N 3Å; I151-L187 VanDerWaalsContact O-N 3.1Å; F153-L187 HydrophobicContact CE2-CB 3.71Å; L187-I189 HydrophobicContact CD2-CD1 3.89Å; L187-I189 HydrophobicContact CD2-CG1 4.2Å; L187-I189 HydrophobicContact CG-CD1 4.4Å; L187-I189 HydrophobicContact CG-CG1 4.17Å
188	R	31.1	Very low	35.3	Very low	125 Å²	125	111.6 Å²	111.6	47%	0.472	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.8	128.5	174.6	-75.7	-173.8	176.9	-174	-1	110.5	N150	N150-R188 VanDerWaalsContact OD1-CG 3.32Å; N150-R188 WeakPolarHBondContact OD1-CG 3.28Å
189	I	37	Very low	35.6	Very low	57 Å²	57	109.8 Å²	109.8	29%	0.292	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.7	174.2	-57.2	179.7	0	0	0	108.6	L187 D193	L187-I189 HydrophobicContact CD2-CD1 3.89Å; L187-I189 HydrophobicContact CD2-CG1 4.2Å; L187-I189 HydrophobicContact CG-CD1 4.4Å; L187-I189 HydrophobicContact CG-CG1 4.17Å; I189-D193 HydrophobicContact CG2-CB 3.95Å
190	T	39.8	Very low	35.8	Very low	42 Å²	42	108.1 Å²	108.1	26%	0.258	54%	0.539	S	S	.	.			trans	-94	159.9	176.4	66.6	0	0	0	0	111.7	F148 T192 D193 M194	F148-T190 HydrophobicContact CD1-CG2 4.4Å; F148-T190 HydrophobicContact CE1-CG2 4.06Å; T190-T192 PolarHBondContact O-N 3.05Å; T190-D193 PolarHBondContact N-OD2 2.92Å; T190-D193 PolarHBondContact O-N 2.95Å; T190-D193 VanDerWaalsContact OG1-CG 3.28Å; T190-D193 PolarHBondContact OG1-N 3Å; T190-D193 PolarHBondContact OG1-OD2 3.06Å; T190-M194 PolarHBondContact O-N 3.49Å
191	F	41.2	Very low	35.9	Very low	156 Å²	156	107.7 Å²	107.7	68%	0.684	54%	0.537	S	S	*	.	H	α-helix	trans	-59.3	-35.7	175.6	-173.6	-107.5	0	0	0	112.2	D193 M194 I195	F191-D193 PolarHBondContact O-N 3.22Å; F191-M194 WeakPolarHBondContact O-CB 3.37Å; F191-M194 PolarHBondContact O-N 3.18Å; F191-I195 HydrophobicContact CD1-CD1 3.89Å; F191-I195 HydrophobicContact CE1-CD1 3.34Å; F191-I195 HydrophobicContact CE1-CG1 4.18Å; F191-I195 HydrophobicContact CZ-CD1 3.85Å; F191-I195 HydrophobicContact CZ-CG1 4.39Å; F191-I195 PolarHBondContact O-N 3.27Å
192	T	44.4	Very low	35.7	Very low	103 Å²	103	108.7 Å²	108.7	63%	0.632	54%	0.536	S	S	*	.	H	α-helix	trans	-62.7	-41.5	177.9	-46.8	0	0	0	0	112.3	T190 M194 I195 Q196	T190-T192 PolarHBondContact O-N 3.05Å; T192-M194 PolarHBondContact O-N 3.42Å; T192-I195 PolarHBondContact O-N 3.47Å; T192-Q196 PolarHBondContact O-N 3.42Å
193	D	42.5	Very low	35.8	Very low	85 Å²	85	106.4 Å²	106.4	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-62.6	-30.3	176.4	-67.9	-44.8	0	0	0	112.6	I189 T190 F191	I189-D193 HydrophobicContact CG2-CB 3.95Å; T190-D193 PolarHBondContact N-OD2 2.92Å; T190-D193 PolarHBondContact O-N 2.95Å; T190-D193 VanDerWaalsContact OG1-CG 3.28Å; T190-D193 PolarHBondContact OG1-N 3Å; T190-D193 PolarHBondContact OG1-OD2 3.06Å; F191-D193 PolarHBondContact O-N 3.22Å
194	M	38.7	Very low	35.6	Very low	111 Å²	111	103.3 Å²	103.3	55%	0.547	53%	0.533	S	S	.	.	H	α-helix	trans	-76.5	-40.6	-178.7	-160.6	178.7	-68.7	0	0	111.7	T190 F191 T192 K197 I198	T190-M194 PolarHBondContact O-N 3.49Å; F191-M194 WeakPolarHBondContact O-CB 3.37Å; F191-M194 PolarHBondContact O-N 3.18Å; T192-M194 PolarHBondContact O-N 3.42Å; M194-K197 PolarHBondContact O-N 3.32Å; M194-I198 WeakPolarHBondContact O-CD1 3.28Å; M194-I198 WeakPolarHBondContact O-CG1 3.43Å; M194-I198 PolarHBondContact O-N 3.05Å
195	I	41.6	Very low	35.5	Very low	73 Å²	73	101 Å²	101	37%	0.374	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-45.1	176.5	-68.2	-176.3	0	0	0	110.8	F191 T192 K197 I198 E199	F191-I195 HydrophobicContact CD1-CD1 3.89Å; F191-I195 HydrophobicContact CE1-CD1 3.34Å; F191-I195 HydrophobicContact CE1-CG1 4.18Å; F191-I195 HydrophobicContact CZ-CD1 3.85Å; F191-I195 HydrophobicContact CZ-CG1 4.39Å; F191-I195 PolarHBondContact O-N 3.27Å; T192-I195 PolarHBondContact O-N 3.47Å; I195-K197 VanDerWaalsContact C-N 3.28Å; I195-K197 PolarHBondContact O-N 3.34Å; I195-I198 PolarHBondContact O-N 3.04Å; I195-E199 HydrophobicContact CG2-CG 4.46Å; I195-E199 PolarHBondContact O-N 3.48Å; I195-E199 VanDerWaalsContact O-N 3.12Å
196	Q	39	Very low	35.3	Very low	106 Å²	106	98.3 Å²	98.3	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-56.8	-41	-179.8	-168.1	66.4	52.1	0	0	112.2	T192 I198 E199 D200	T192-Q196 PolarHBondContact O-N 3.42Å; Q196-I198 VanDerWaalsContact C-N 3.31Å; Q196-I198 PolarHBondContact O-N 3.39Å; Q196-E199 PolarHBondContact O-N 3.5Å; Q196-D200 PolarHBondContact O-N 2.92Å
197	K	39.7	Very low	35.3	Very low	148 Å²	148	101.4 Å²	101.4	64%	0.643	53%	0.525	S	S	*	.	H	α-helix	trans	-70.6	-23.2	177.8	-76	-178.4	179.2	175.5	0	114.4	M194 I195	M194-K197 PolarHBondContact O-N 3.32Å; I195-K197 VanDerWaalsContact C-N 3.28Å; I195-K197 PolarHBondContact O-N 3.34Å
198	I	33.2	Very low	34.8	Very low	120 Å²	120	102.5 Å²	102.5	62%	0.615	54%	0.535	S	S	*	.	H	α-helix	trans	-80.2	-37.9	177.8	-67.9	167	0	0	0	110	M194 I195 Q196 N201	M194-I198 WeakPolarHBondContact O-CD1 3.28Å; M194-I198 WeakPolarHBondContact O-CG1 3.43Å; M194-I198 PolarHBondContact O-N 3.05Å; I195-I198 PolarHBondContact O-N 3.04Å; Q196-I198 VanDerWaalsContact C-N 3.31Å; Q196-I198 PolarHBondContact O-N 3.39Å; I198-N201 PolarHBondContact O-N 3.25Å
199	E	35.1	Very low	34.5	Very low	119 Å²	119	104.6 Å²	104.6	56%	0.556	55%	0.548	S	S	*	.	H	α-helix	trans	-65.6	-35.7	178.1	-69.8	-173.8	162.8	0	0	112.7	I195 Q196 N201	I195-E199 HydrophobicContact CG2-CG 4.46Å; I195-E199 PolarHBondContact O-N 3.48Å; I195-E199 VanDerWaalsContact O-N 3.12Å; Q196-E199 PolarHBondContact O-N 3.5Å; E199-N201 PolarHBondContact O-N 3.18Å; E199-N201 VanDerWaalsContact O-N 3.1Å
200	D	35.5	Very low	33.8	Very low	117 Å²	117	108 Å²	108	63%	0.626	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-8.7	179.3	-69.1	-18.5	0	0	0	114.6	Q196	Q196-D200 PolarHBondContact O-N 2.92Å
201	N	34.9	Very low	33.1	Very low	141 Å²	141	113.3 Å²	113.3	75%	0.754	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	23.8	-169.4	-106.6	-28.6	0	0	0	115.7	I198 E199	I198-N201 PolarHBondContact O-N 3.25Å; E199-N201 PolarHBondContact O-N 3.18Å; E199-N201 VanDerWaalsContact O-N 3.1Å
202	Q	29.5	Very low	32.3	Very low	185 Å²	185	111.4 Å²	111.4	86%	0.864	61%	0.605	S	S	*	*			trans	-76.8	121.7	163.1	-55.2	-171	5.8	0	0	108.6
203	G	31.1	Very low	31.3	Very low	73 Å²	73	113 Å²	113	75%	0.753	61%	0.609	S	S	*	*			cis	159	99.1	4.2	0	0	0	0	0	106
204	M	27.8	Very low	30.5	Very low	92 Å²	92	117 Å²	117	45%	0.453	63%	0.631	S	S	.	*			trans	-75.4	122.6	-178.4	-71.1	-82.7	-64.3	0	0	111.5	I632 E633	M204-I632 HydrophobicContact CE-CG2 3.25Å; M204-E633 WeakPolarHBondContact CE-O 3.45Å
205	G	26.8	Very low	29.8	Very low	33 Å²	33	117.5 Å²	117.5	34%	0.34	64%	0.64	S	S	.	*			trans	-81.1	131.2	172.3	0	0	0	0	0	112.3
206	I	28.8	Very low	29	Very low	57 Å²	57	120.5 Å²	120.5	29%	0.292	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.4	126.3	171.8	-62.4	169.7	0	0	0	108.5	I630 L705 Y708	I206-I630 HydrophobicContact CG2-CG2 4.01Å; I206-L705 HydrophobicContact CD1-CD1 3.38Å; I206-L705 HydrophobicContact CG1-CD1 4.44Å; I206-Y708 HydrophobicContact CD1-CD1 3.75Å; I206-Y708 HydrophobicContact CD1-CE1 3.78Å
207	H	27.9	Very low	28.2	Very low	102 Å²	102	122.2 Å²	122.2	47%	0.472	67%	0.674	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.8	121.2	170.3	-67.2	-76.9	0	0	0	109.8	F209	H207-F209 HydrophobicContact CB-CE2 4.11Å
208	T	24.2	Very low	27.5	Very low	107 Å²	107	122 Å²	122	66%	0.656	68%	0.68	S	S	*	*			trans	-95.3	111.2	169.9	48.1	0	0	0	0	108.9
209	F	25.2	Very low	26.9	Very low	169 Å²	169	125.5 Å²	125.5	74%	0.741	69%	0.691	S	S	*	*			trans	-89.7	109.2	168.3	-69.8	-84.4	0	0	0	108.4	H207	H207-F209 HydrophobicContact CB-CE2 4.11Å
210	T	23.7	Very low	26.4	Very low	129 Å²	129	126.5 Å²	126.5	79%	0.791	70%	0.7	S	S	*	*			trans	-90.9	112.6	167.7	51.1	0	0	0	0	108.1	S212	T210-S212 PolarHBondContact O-N 3.49Å; T210-S212 VanDerWaalsContact O-N 3.15Å
211	D	24.6	Very low	25.8	Very low	154 Å²	154	127 Å²	127	82%	0.824	70%	0.703	S	S	*	*			trans	-60.3	116.6	171.8	-84	-28.2	0	0	0	109.6	N213	D211-N213 VanDerWaalsContact C-N 3.27Å; D211-N213 PolarHBondContact O-N 3.2Å
212	S	25.1	Very low	25.2	Very low	116 Å²	116	126.4 Å²	126.4	81%	0.811	70%	0.698	S	S	*	*			trans	-66.5	83.1	174.9	49.2	0	0	0	0	110.6	T210	T210-S212 PolarHBondContact O-N 3.49Å; T210-S212 VanDerWaalsContact O-N 3.15Å
213	N	23.2	Very low	24.9	Very low	136 Å²	136	125.1 Å²	125.1	73%	0.727	69%	0.692	S	S	*	*			trans	-134.6	55.6	167.7	-96.3	-13.2	0	0	0	109.5	D211 T215	D211-N213 VanDerWaalsContact C-N 3.27Å; D211-N213 PolarHBondContact O-N 3.2Å; N213-T215 PolarHBondContact O-N 3.36Å
214	D	24.9	Very low	24.4	Very low	170 Å²	170	126.5 Å²	126.5	91%	0.909	69%	0.69	S	S	*	*			trans	-94.2	74.8	162.9	-77.7	-26.7	0	0	0	109.1	V216	D214-V216 PolarHBondContact O-N 3.22Å
215	T	24.7	Very low	24.1	Very low	120 Å²	120	127.4 Å²	127.4	74%	0.736	71%	0.705	S	S	*	*			trans	-73.5	111.2	157.5	35	0	0	0	0	109.1	N213 N217	N213-T215 PolarHBondContact O-N 3.36Å; T215-N217 PolarHBondContact O-N 3.22Å
216	V	25.4	Very low	23.8	Very low	137 Å²	137	130.7 Å²	130.7	83%	0.83	72%	0.723	S	S	*	*			trans	-24.9	114.6	153.7	179.3	0	0	0	0	111.8	D214	D214-V216 PolarHBondContact O-N 3.22Å
217	N	21.5	Very low	23.4	Very low	142 Å²	142	132.6 Å²	132.6	76%	0.759	74%	0.742	S	S	*	*			trans	-150.8	135.4	157.6	-99.6	-23.8	0	0	0	111.8	T215	T215-N217 PolarHBondContact O-N 3.22Å
218	N	25	Very low	23.3	Very low	144 Å²	144	136 Å²	136	77%	0.77	76%	0.762	S	S	*	*			trans	83.4	93.4	177	-53.3	-11.7	0	0	0	112.7
219	K	21.3	Very low	23.1	Very low	192 Å²	192	135.4 Å²	135.4	84%	0.835	76%	0.762	S	S	*	*				52.6	138.4	50.8	-94.7	-174.1	-177.9	178.9	0	113
220	D	23.8	Very low	22.9	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	76%	0.762	S	S	*	*			trans	98.3	120.2	-178.9	-48.5	-12.9	0	0	0	112.3
221	D	22.8	Very low	22.7	Very low	128 Å²	128	131.9 Å²	131.9	68%	0.684	75%	0.753	S	S	*	*			cis	-157.3	122.5	-0.2	-81.9	-46	0	0	0	106.5
222	I	22.5	Very low	22.4	Very low	128 Å²	128	130.7 Å²	130.7	66%	0.656	75%	0.752	S	S	*	*				57.7	123.3	88.8	-41.3	170.1	0	0	0	116.6
223	H	23.1	Very low	22.2	Very low	158 Å²	158	130.6 Å²	130.6	73%	0.731	75%	0.751	S	S	*	*			trans	134.6	100.3	133	-73.8	-64.3	0	0	0	112.8
224	S	20.1	Very low	22	Very low	102 Å²	102	129.2 Å²	129.2	71%	0.713	75%	0.752	S	S	*	*				61.1	104.8	68.2	77.9	0	0	0	0	115.4
225	S	21.9	Very low	21.8	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	75%	0.745	S	S	*	*			trans	-154.8	103.7	146.4	48.3	0	0	0	0	107.2
226	S	20.7	Very low	21.6	Very low	102 Å²	102	126.1 Å²	126.1	71%	0.713	74%	0.744	S	S	*	*				90.6	118.7	66.3	69	0	0	0	0	112.8
227	S	20.3	Very low	21.3	Very low	98 Å²	98	125.1 Å²	125.1	69%	0.685	74%	0.738	S	S	*	*			trans	61.9	114.3	138.4	49.7	0	0	0	0	119.3
228	L	24.6	Very low	21.4	Very low	173 Å²	173	126.6 Å²	126.6	91%	0.906	75%	0.745	S	S	*	*				-152.6	102.3	126.6	-94.8	129.4	0	0	0	108.8
229	S	20.4	Very low	21.1	Very low	94 Å²	94	123.4 Å²	123.4	66%	0.657	73%	0.734	S	S	*	*			trans	-57.8	142.8	145.5	48.5	0	0	0	0	109.2
230	N	21.3	Very low	21.1	Very low	137 Å²	137	122.1 Å²	122.1	73%	0.733	73%	0.73	S	S	*	*				178.2	120.4	127.2	-90	-6.6	0	0	0	111.3
231	S	19.1	Very low	20.9	Very low	88 Å²	88	120.7 Å²	120.7	62%	0.615	73%	0.732	S	S	*	*				62.2	107.2	116.1	-36.8	0	0	0	0	119
232	T	18.5	Very low	20.8	Very low	128 Å²	128	117.4 Å²	117.4	79%	0.785	73%	0.728	S	S	*	*				32.2	116.4	119.9	54.4	0	0	0	0	118.4
233	S	21.3	Very low	20.6	Very low	114 Å²	114	119.2 Å²	119.2	80%	0.797	74%	0.738	S	S	*	*			trans	-167.1	105.9	142.4	-71.2	0	0	0	0	105.9
234	S	19.5	Very low	20.7	Very low	108 Å²	108	120.9 Å²	120.9	76%	0.755	75%	0.746	S	S	*	*				69.7	118.8	85.8	-62.1	0	0	0	0	114.1
235	S	19.4	Very low	20.7	Very low	109 Å²	109	121 Å²	121	76%	0.762	74%	0.743	S	S	*	*			trans	79.1	143.9	143.1	79.4	0	0	0	0	117.6
236	T	20.9	Very low	20.5	Very low	116 Å²	116	125.5 Å²	125.5	71%	0.712	75%	0.748	S	S	*	*			cis	-168.2	140.7	20.8	-19.5	0	0	0	0	106.8
237	V	20	Very low	20.7	Very low	115 Å²	115	125 Å²	125	70%	0.697	75%	0.75	S	S	*	*			trans	37.5	122.1	136.9	-179.6	0	0	0	0	118.5
238	L	22	Very low	20.7	Very low	174 Å²	174	125.6 Å²	125.6	91%	0.911	75%	0.754	S	S	*	*				-157.5	138.9	119	-98	167.6	0	0	0	109.7
239	S	19.6	Very low	20.5	Very low	77 Å²	77	124.5 Å²	124.5	54%	0.538	75%	0.748	S	S	.	*			trans	-119.5	169.2	-160.5	45.6	0	0	0	0	111.4
240	H	21	Very low	20.6	Very low	164 Å²	164	126.2 Å²	126.2	76%	0.759	76%	0.757	S	S	*	*			trans	79.1	102.5	158.6	-61.6	-65.2	0	0	0	120.4
241	S	20.3	Very low	20.5	Very low	111 Å²	111	124.3 Å²	124.3	78%	0.776	75%	0.754	S	S	*	*				-2.9	135.8	121	56.9	0	0	0	0	118.9
242	G	20.2	Very low	20.8	Very low	59 Å²	59	125.9 Å²	125.9	61%	0.608	77%	0.766	S	S	*	*			trans	168.6	95.9	158.1	0	0	0	0	0	109.8
243	L	18.9	Very low	20.9	Very low	166 Å²	166	125.3 Å²	125.3	87%	0.869	77%	0.767	S	S	*	*				39.2	91.5	96.6	-84.6	156	0	0	0	112.8
244	H	25.1	Very low	21	Very low	193 Å²	193	125.8 Å²	125.8	89%	0.894	77%	0.77	S	S	*	*			trans	-116.2	124.4	154	-90.9	-81.5	0	0	0	110.3
245	T	19	Very low	21	Very low	105 Å²	105	129.6 Å²	129.6	64%	0.644	78%	0.776	S	S	*	*			trans	-89.4	153.3	-175.3	38.5	0	0	0	0	111.2
246	K	18.7	Very low	21.3	Very low	205 Å²	205	130 Å²	130	89%	0.891	78%	0.779	S	S	*	*			trans	55.4	115.5	142.7	-69.9	179.2	176.1	-178.4	0	119.7
247	A	24.4	Very low	21.2	Very low	90 Å²	90	131.8 Å²	131.8	74%	0.744	78%	0.783	S	S	*	*			trans	-169.9	96	130.6	0	0	0	0	0	107.5
248	S	21	Very low	21.4	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	79%	0.785	S	S	*	*				77.7	114.6	92.1	56.2	0	0	0	0	114.9
249	L	19.3	Very low	21.2	Very low	150 Å²	150	129 Å²	129	79%	0.785	78%	0.776	S	S	*	*			trans	-41.5	162.9	164.6	-90.6	74.2	0	0	0	114.5
250	P	23.4	Very low	21.5	Very low	130 Å²	130	134.5 Å²	134.5	84%	0.844	79%	0.79	S	S	*	*				-124.3	131.2	106.6	34.3	-28.1	0	0	0	112.9
251	S	19.1	Very low	21.5	Very low	97 Å²	97	131.6 Å²	131.6	68%	0.678	78%	0.784	S	S	*	*			trans	-73.1	137	160.8	46.7	0	0	0	0	110.6
252	S	24.6	Very low	21.6	Very low	122 Å²	122	131.1 Å²	131.1	85%	0.853	78%	0.78	S	S	*	*			trans	-151.2	131.3	141.8	57.1	0	0	0	0	110.2
253	S	20.2	Very low	21.7	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	79%	0.79	S	S	*	*			trans	-73.6	143.4	176	46.5	0	0	0	0	112.4
254	S	24.9	Very low	21.8	Very low	125 Å²	125	130.6 Å²	130.6	87%	0.874	78%	0.781	S	S	*	*				-170.4	134.1	128.9	48.4	0	0	0	0	111.5
255	E	20	Very low	21.7	Very low	187 Å²	187	126.1 Å²	126.1	87%	0.874	77%	0.772	S	S	*	*			trans	-70.8	145.6	173.6	-62.3	158.4	142.3	0	0	110.8
256	S	24.8	Very low	21.8	Very low	119 Å²	119	126 Å²	126	83%	0.832	78%	0.775	S	S	*	*				178.5	126.7	129.6	36.9	0	0	0	0	111.8
257	I	18.3	Very low	21.9	Very low	153 Å²	153	124.4 Å²	124.4	79%	0.785	77%	0.769	S	S	*	*			trans	-114.6	133.5	165.8	-67.1	165.7	0	0	0	104.8
258	P	24.7	Very low	21.8	Very low	114 Å²	114	125.8 Å²	125.8	74%	0.74	76%	0.764	S	S	*	*				-146	121.1	107	31.6	-12.4	0	0	0	112.5
259	T	18.2	Very low	21.9	Very low	117 Å²	117	128.5 Å²	128.5	72%	0.718	76%	0.764	S	S	*	*				23.1	107.6	97.5	26.3	0	0	0	0	117.5
260	F	24.6	Very low	22.2	Very low	191 Å²	191	128.4 Å²	128.4	84%	0.838	76%	0.763	S	S	*	*				-152.1	113.5	129.5	-105.1	-81.8	0	0	0	110.6
261	T	22.8	Very low	22.1	Very low	104 Å²	104	129.3 Å²	129.3	64%	0.638	76%	0.76	S	S	*	*			trans	46.5	106.4	135.3	63.5	0	0	0	0	119.3
262	S	20.7	Very low	22.3	Very low	100 Å²	100	130.6 Å²	130.6	70%	0.699	76%	0.759	S	S	*	*				77.9	124.5	75.5	68.5	0	0	0	0	116.6
263	S	22.1	Very low	22.3	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	75%	0.753	S	S	*	*			trans	76	135.2	158.5	78.2	0	0	0	0	115.9
264	S	22.5	Very low	22.7	Very low	99 Å²	99	131.2 Å²	131.2	69%	0.692	75%	0.746	S	S	*	*			cis	-167.5	141.2	6.6	43.2	0	0	0	0	110.3
265	S	21.5	Very low	23.1	Very low	100 Å²	100	133.2 Å²	133.2	70%	0.699	75%	0.747	S	S	*	*			trans	53.6	124.1	135.9	69.9	0	0	0	0	120.7
266	S	21.2	Very low	23.3	Very low	102 Å²	102	131.3 Å²	131.3	71%	0.713	74%	0.742	S	S	*	*				100.5	126.7	118.7	-81.3	0	0	0	0	119.1
267	F	21.5	Very low	23.7	Very low	172 Å²	172	132.9 Å²	132.9	75%	0.754	74%	0.742	S	S	*	*			trans	96.1	106.8	143.8	-89.3	-117.2	0	0	0	118.9
268	N	23.1	Very low	24.4	Very low	118 Å²	118	134.7 Å²	134.7	63%	0.631	75%	0.747	S	S	*	*				71.1	135.5	120.7	-76.1	2.4	0	0	0	121.4
269	E	23	Very low	24.8	Very low	168 Å²	168	137.4 Å²	137.4	79%	0.785	75%	0.753	S	S	*	*			trans	71.4	115.9	143.4	-76.2	179.8	153	0	0	117.4
270	I	24	Very low	25.8	Very low	148 Å²	148	135.4 Å²	135.4	76%	0.759	74%	0.738	S	S	*	*				165	129.1	114.1	-84.1	156.2	0	0	0	108.9
271	L	22.2	Very low	26.4	Very low	150 Å²	150	134.7 Å²	134.7	79%	0.785	74%	0.74	S	S	*	*			trans	29.2	131.8	145.4	-51.8	166.8	0	0	0	118
272	D	23	Very low	27.4	Very low	123 Å²	123	134.3 Å²	134.3	66%	0.658	74%	0.741	S	S	*	*				173.2	146.5	82.4	-143.4	3.2	0	0	0	114.8
273	H	25.3	Very low	28.4	Very low	158 Å²	158	132.5 Å²	132.5	73%	0.731	73%	0.728	S	S	*	*			trans	42.4	135.2	154.3	-72.8	-46.7	0	0	0	126.1
274	S	28.8	Very low	29.4	Very low	93 Å²	93	134.1 Å²	134.1	65%	0.65	72%	0.721	S	S	*	*			trans	89.8	99.9	136.6	61.2	0	0	0	0	119.4
275	N	32.1	Very low	30.6	Very low	167 Å²	167	137.7 Å²	137.7	89%	0.893	72%	0.724	S	S	*	*				-164.3	96.7	117.7	-85	-30.2	0	0	0	108.7
276	D	25.2	Very low	31.9	Very low	146 Å²	146	138.1 Å²	138.1	78%	0.781	72%	0.718	S	S	*	*			trans	-72.5	166	166.6	-73.4	-54.7	0	0	0	111.1
277	D	32.7	Very low	32.9	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	71%	0.713	S	S	*	*			trans	88.2	91.8	161.2	-53.9	-31.9	0	0	0	118.5
278	E	32.7	Very low	33.9	Very low	191 Å²	191	138.3 Å²	138.3	89%	0.893	71%	0.712	S	S	*	*	S	Bend		173.7	52	123.5	-96.6	-169.8	167	0	0	114.2
279	I	33.6	Very low	35.1	Very low	171 Å²	171	136.7 Å²	136.7	88%	0.877	71%	0.71	S	S	*	*			trans	-148.4	84.9	164.2	-48.7	174.5	0	0	0	110.3
280	D	38.4	Very low	36	Very low	75 Å²	75	134.5 Å²	134.5	40%	0.401	70%	0.702	S	S	.	*			trans	-172.7	74.8	146.9	-163.7	22.7	0	0	0	115.3	S283	D280-S283 WeakPolarHBondContact OD1-CA 3.42Å; D280-S283 WeakPolarHBondContact OD1-CB 3.25Å; D280-S283 PolarHBondContact OD1-N 2.82Å; D280-S283 PolarHBondContact OD1-OG 3.3Å
281	M	37.4	Very low	37.2	Very low	176 Å²	176	136 Å²	136	87%	0.867	70%	0.703	S	S	*	*	S	Bend	trans	-102.9	-21.5	161.4	-89.1	-74.9	-77	0	0	113
282	S	44.3	Very low	38.5	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	71%	0.708	S	S	*	*	H	α-helix	trans	-83.7	-32.6	-178.2	-94	0	0	0	0	114.3	F285	S282-F285 PolarHBondContact O-N 3.14Å
283	S	42.2	Very low	40.1	Very low	63 Å²	63	135.4 Å²	135.4	44%	0.441	69%	0.69	S	S	.	*	H	α-helix	trans	-77.6	-29.7	-171.8	-33.7	0	0	0	0	112.3	D280 F285 I286 L287	D280-S283 WeakPolarHBondContact OD1-CA 3.42Å; D280-S283 WeakPolarHBondContact OD1-CB 3.25Å; D280-S283 PolarHBondContact OD1-N 2.82Å; D280-S283 PolarHBondContact OD1-OG 3.3Å; S283-F285 VanDerWaalsContact C-N 3.32Å; S283-F285 PolarHBondContact O-N 2.93Å; S283-I286 PolarHBondContact O-N 3.43Å; S283-L287 PolarHBondContact O-N 2.99Å; S283-L287 VanDerWaalsContact O-N 3.15Å
284	K	43.8	Very low	42.4	Very low	149 Å²	149	133.4 Å²	133.4	65%	0.648	68%	0.681	S	S	*	*	H	α-helix	trans	-62.9	-34.9	174.9	-80	177.4	-179.8	167.7	0	113.1	H288	K284-H288 PolarHBondContact O-N 3.49Å
285	F	45.9	Very low	44.3	Very low	174 Å²	174	134.3 Å²	134.3	76%	0.763	68%	0.684	S	S	*	*	H	α-helix	trans	-69.1	-38.6	178.9	-157.5	-90.7	0	0	0	111.7	S282 S283	S282-F285 PolarHBondContact O-N 3.14Å; S283-F285 VanDerWaalsContact C-N 3.32Å; S283-F285 PolarHBondContact O-N 2.93Å
286	I	50.2	Low	46.3	Very low	109 Å²	109	131.6 Å²	131.6	56%	0.559	67%	0.669	S	S	*	*	H	α-helix	trans	-66.8	-45.3	178.5	-60.4	177	0	0	0	110.3	S283 H288 S289	S283-I286 PolarHBondContact O-N 3.43Å; I286-H288 PolarHBondContact O-N 3.31Å; I286-S289 PolarHBondContact O-N 3.04Å; I286-S289 PolarHBondContact O-OG 2.98Å
287	L	42.1	Very low	48.6	Very low	116 Å²	116	130.5 Å²	130.5	61%	0.607	66%	0.657	S	S	*	*	H	α-helix	trans	-65.9	-33.3	-178.1	-96.1	159.9	0	0	0	114.1	S283 M290	S283-L287 PolarHBondContact O-N 2.99Å; S283-L287 VanDerWaalsContact O-N 3.15Å; L287-M290 PolarHBondContact O-N 3.39Å
288	H	41.5	Very low	50.6	Low	162 Å²	162	127.2 Å²	127.2	75%	0.75	64%	0.639	S	S	*	*	H	α-helix	trans	-73.8	-28	-179.1	-151.7	54.5	0	0	0	112.9	K284 I286 M290	K284-H288 PolarHBondContact O-N 3.49Å; I286-H288 PolarHBondContact O-N 3.31Å; H288-M290 VanDerWaalsContact C-N 3.28Å; H288-M290 PolarHBondContact O-N 2.9Å
289	S	49.3	Very low	52.8	Low	83 Å²	83	124.1 Å²	124.1	58%	0.58	62%	0.623	S	S	*	*	H	α-helix	trans	-71	-19.8	177.3	76.8	0	0	0	0	114	I286	I286-S289 PolarHBondContact O-N 3.04Å; I286-S289 PolarHBondContact O-OG 2.98Å
290	M	42.4	Very low	55	Low	123 Å²	123	122.4 Å²	122.4	61%	0.606	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-86.1	-14.5	-173	-63.7	-166.3	109.8	0	0	114.6	L287 H288 K292	L287-M290 PolarHBondContact O-N 3.39Å; H288-M290 VanDerWaalsContact C-N 3.28Å; H288-M290 PolarHBondContact O-N 2.9Å; M290-K292 PolarHBondContact O-N 3.37Å
291	K	48.3	Very low	56.9	Low	180 Å²	180	126.6 Å²	126.6	78%	0.783	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-84.2	8.2	-173.7	-75.9	-170	176.6	-177.2	0	116.1
292	K	50	Low	59	Low	205 Å²	205	123.2 Å²	123.2	89%	0.891	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-127.7	32.8	-179.4	-87	-174	177.3	178.9	0	115.1	M290	M290-K292 PolarHBondContact O-N 3.37Å
293	I	56.8	Low	61	Low	55 Å²	55	122.5 Å²	122.5	28%	0.282	59%	0.592	S	S	.	*			trans	-92.2	120.6	171.5	-54.3	170	0	0	0	108.2	K297 L298	I293-K297 HydrophobicContact CG2-CB 3.88Å; I293-L298 HydrophobicContact CG2-CB 4Å
294	Q	71.9	Confident	63	Low	116 Å²	116	124.1 Å²	124.1	54%	0.542	59%	0.594	S	S	.	*			trans	-55.9	138.9	173.1	-72.6	-177.2	-22.9	0	0	110.4	I296 K297 L298	Q294-I296 PolarHBondContact O-N 2.92Å; Q294-I296 VanDerWaalsContact O-N 3.09Å; Q294-K297 HydrophobicContact CB-CD 4.43Å; Q294-K297 HydrophobicContact CB-CG 4.31Å; Q294-K297 WeakPolarHBondContact O-CA 3.47Å; Q294-K297 WeakPolarHBondContact O-CB 3.49Å; Q294-K297 PolarHBondContact O-N 3.48Å; Q294-L298 PolarHBondContact O-N 2.88Å
295	P	69.7	Low	64.8	Low	112 Å²	112	119.8 Å²	119.8	73%	0.727	59%	0.586	S	S	*	*	H	α-helix	trans	-51.8	-39	-175.9	-27.9	33.6	0	0	0	113.8	K297 L298 F299	P295-K297 VanDerWaalsContact C-N 3.34Å; P295-K297 PolarHBondContact O-N 3.02Å; P295-L298 WeakPolarHBondContact O-CB 3.41Å; P295-L298 PolarHBondContact O-N 3.25Å; P295-F299 WeakPolarHBondContact O-CB 3.25Å; P295-F299 PolarHBondContact O-N 3.28Å
296	I	74.2	Confident	66.6	Low	110 Å²	110	113.4 Å²	113.4	56%	0.564	57%	0.569	S	S	*	*	H	α-helix	trans	-64.7	-36.5	177.9	-151.7	85.7	0	0	0	112.5	Q294 K300	Q294-I296 PolarHBondContact O-N 2.92Å; Q294-I296 VanDerWaalsContact O-N 3.09Å; I296-K300 WeakPolarHBondContact O-CG 3.44Å; I296-K300 PolarHBondContact O-N 2.95Å
297	K	73.9	Confident	68.3	Low	123 Å²	123	113.5 Å²	113.5	54%	0.535	57%	0.57	S	S	.	*	H	α-helix	trans	-74.5	-34.8	177.9	-67.2	-175	-178.4	-178.7	0	110.7	I293 Q294 P295 R301	I293-K297 HydrophobicContact CG2-CB 3.88Å; Q294-K297 HydrophobicContact CB-CD 4.43Å; Q294-K297 HydrophobicContact CB-CG 4.31Å; Q294-K297 WeakPolarHBondContact O-CA 3.47Å; Q294-K297 WeakPolarHBondContact O-CB 3.49Å; Q294-K297 PolarHBondContact O-N 3.48Å; P295-K297 VanDerWaalsContact C-N 3.34Å; P295-K297 PolarHBondContact O-N 3.02Å; K297-R301 WeakPolarHBondContact O-CG 3.45Å; K297-R301 PolarHBondContact O-N 2.91Å
298	L	73.2	Confident	70.3	Confident	84 Å²	84	113.1 Å²	113.1	44%	0.44	57%	0.568	S	S	.	*	H	α-helix	trans	-64.5	-46.4	172.7	-173.5	67	0	0	0	110.7	I293 Q294 P295 R301 I302	I293-L298 HydrophobicContact CG2-CB 4Å; Q294-L298 PolarHBondContact O-N 2.88Å; P295-L298 WeakPolarHBondContact O-CB 3.41Å; P295-L298 PolarHBondContact O-N 3.25Å; L298-R301 WeakPolarHBondContact O-CB 3.44Å; L298-R301 PolarHBondContact O-N 3.17Å; L298-I302 HydrophobicContact CG-CD1 4.09Å; L298-I302 WeakPolarHBondContact O-CG1 3.44Å; L298-I302 PolarHBondContact O-N 3.25Å
299	F	80.9	Confident	72.4	Confident	126 Å²	126	110.7 Å²	110.7	55%	0.553	56%	0.56	S	S	*	*	H	α-helix	trans	-59.6	-47.8	176.8	-176.6	-107	0	0	0	112.4	P295 R301 I302 I303	P295-F299 WeakPolarHBondContact O-CB 3.25Å; P295-F299 PolarHBondContact O-N 3.28Å; F299-R301 VanDerWaalsContact C-N 3.31Å; F299-R301 PolarHBondContact O-N 3.2Å; F299-I302 PolarHBondContact O-N 3.14Å; F299-I302 VanDerWaalsContact O-N 3.15Å; F299-I303 HydrophobicContact CD1-CD1 3.88Å; F299-I303 HydrophobicContact CE1-CD1 3.27Å; F299-I303 HydrophobicContact CE1-CG1 4.27Å; F299-I303 HydrophobicContact CE2-CD1 4.21Å; F299-I303 HydrophobicContact CZ-CD1 3.48Å; F299-I303 VanDerWaalsContact CZ-CD1 3.48Å; F299-I303 HydrophobicContact CZ-CG1 4.25Å; F299-I303 PolarHBondContact O-N 3.33Å
300	K	79.2	Confident	73.9	Confident	135 Å²	135	115.2 Å²	115.2	59%	0.587	57%	0.565	S	S	*	*	H	α-helix	trans	-57.7	-42.1	174.5	-74.6	-175.9	178.7	-171.8	0	112.1	I296 I303 I304	I296-K300 WeakPolarHBondContact O-CG 3.44Å; I296-K300 PolarHBondContact O-N 2.95Å; K300-I303 PolarHBondContact O-N 3.29Å; K300-I304 WeakPolarHBondContact O-CB 3.43Å; K300-I304 VanDerWaalsContact O-CG1 3.25Å; K300-I304 WeakPolarHBondContact O-CG1 3.43Å; K300-I304 PolarHBondContact O-N 3.45Å
301	R	77.9	Confident	75.5	Confident	163 Å²	163	111.6 Å²	111.6	62%	0.615	55%	0.554	S	S	*	*	H	α-helix	trans	-64.2	-39.5	176.2	-80.9	-177.1	173.4	-169.5	-2	112.5	K297 L298 F299 I304 A305	K297-R301 WeakPolarHBondContact O-CG 3.45Å; K297-R301 PolarHBondContact O-N 2.91Å; L298-R301 WeakPolarHBondContact O-CB 3.44Å; L298-R301 PolarHBondContact O-N 3.17Å; F299-R301 VanDerWaalsContact C-N 3.31Å; F299-R301 PolarHBondContact O-N 3.2Å; R301-I304 PolarHBondContact O-N 3.29Å; R301-A305 VanDerWaalsContact O-CB 3.25Å; R301-A305 WeakPolarHBondContact O-CB 3.41Å; R301-A305 PolarHBondContact O-N 3.09Å
302	I	82.3	Confident	77.1	Confident	105 Å²	105	106 Å²	106	54%	0.538	54%	0.536	S	S	.	.	H	α-helix	trans	-65	-44.6	177.5	-68.5	166.1	0	0	0	110.7	L298 F299 A305 G306	L298-I302 HydrophobicContact CG-CD1 4.09Å; L298-I302 WeakPolarHBondContact O-CG1 3.44Å; L298-I302 PolarHBondContact O-N 3.25Å; F299-I302 PolarHBondContact O-N 3.14Å; F299-I302 VanDerWaalsContact O-N 3.15Å; I302-A305 PolarHBondContact O-N 2.97Å; I302-G306 PolarHBondContact O-N 2.99Å
303	I	84.5	Confident	78.3	Confident	80 Å²	80	101 Å²	101	41%	0.41	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-48.2	176.5	-69	-178.9	0	0	0	111	F299 K300 A305 G306 L307	F299-I303 HydrophobicContact CD1-CD1 3.88Å; F299-I303 HydrophobicContact CE1-CD1 3.27Å; F299-I303 HydrophobicContact CE1-CG1 4.27Å; F299-I303 HydrophobicContact CE2-CD1 4.21Å; F299-I303 HydrophobicContact CZ-CD1 3.48Å; F299-I303 VanDerWaalsContact CZ-CD1 3.48Å; F299-I303 HydrophobicContact CZ-CG1 4.25Å; F299-I303 PolarHBondContact O-N 3.33Å; K300-I303 PolarHBondContact O-N 3.29Å; I303-A305 VanDerWaalsContact C-N 3.32Å; I303-A305 PolarHBondContact O-N 3.1Å; I303-G306 PolarHBondContact O-N 3.46Å; I303-G306 VanDerWaalsContact O-N 3.16Å; I303-L307 HydrophobicContact CG2-CD1 3.95Å; I303-L307 HydrophobicContact CG2-CG 4.38Å; I303-L307 WeakPolarHBondContact O-CG 3.43Å; I303-L307 PolarHBondContact O-N 3.39Å
304	I	84.8	Confident	79.2	Confident	96 Å²	96	103.1 Å²	103.1	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-61.1	-43	178.8	-68.1	166.6	0	0	0	110.4	K300 R301 G306 L307 L308	K300-I304 WeakPolarHBondContact O-CB 3.43Å; K300-I304 VanDerWaalsContact O-CG1 3.25Å; K300-I304 WeakPolarHBondContact O-CG1 3.43Å; K300-I304 PolarHBondContact O-N 3.45Å; R301-I304 PolarHBondContact O-N 3.29Å; I304-G306 VanDerWaalsContact C-N 3.34Å; I304-G306 PolarHBondContact O-N 3Å; I304-L307 PolarHBondContact O-N 3.35Å; I304-L308 HydrophobicContact CG2-CD1 3.9Å; I304-L308 HydrophobicContact CG2-CG 4.32Å; I304-L308 WeakPolarHBondContact O-CB 3.45Å; I304-L308 VanDerWaalsContact O-CG 3.28Å; I304-L308 WeakPolarHBondContact O-CG 3.43Å; I304-L308 PolarHBondContact O-N 2.97Å
305	A	81.9	Confident	79.3	Confident	58 Å²	58	103.1 Å²	103.1	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-40.9	175.6	0	0	0	0	0	112	R301 I302 I303 L308 L309	R301-A305 VanDerWaalsContact O-CB 3.25Å; R301-A305 WeakPolarHBondContact O-CB 3.41Å; R301-A305 PolarHBondContact O-N 3.09Å; I302-A305 PolarHBondContact O-N 2.97Å; I303-A305 VanDerWaalsContact C-N 3.32Å; I303-A305 PolarHBondContact O-N 3.1Å; A305-L308 PolarHBondContact O-N 3.03Å; A305-L309 WeakPolarHBondContact O-CB 3.2Å; A305-L309 PolarHBondContact O-N 2.92Å
306	G	83.5	Confident	79.6	Confident	40 Å²	40	101.5 Å²	101.5	41%	0.412	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-41	175	0	0	0	0	0	113.2	I302 I303 I304 L309 R310	I302-G306 PolarHBondContact O-N 2.99Å; I303-G306 PolarHBondContact O-N 3.46Å; I303-G306 VanDerWaalsContact O-N 3.16Å; I304-G306 VanDerWaalsContact C-N 3.34Å; I304-G306 PolarHBondContact O-N 3Å; G306-L309 PolarHBondContact O-N 3.48Å; G306-R310 PolarHBondContact O-N 2.83Å
307	L	86.4	Confident	79.6	Confident	111 Å²	111	104 Å²	104	58%	0.581	52%	0.52	S	S	*	.	H	α-helix	trans	-66.3	-42.2	175.2	-72.2	171.6	0	0	0	111.8	I303 I304 L309 R310 A311	I303-L307 HydrophobicContact CG2-CD1 3.95Å; I303-L307 HydrophobicContact CG2-CG 4.38Å; I303-L307 WeakPolarHBondContact O-CG 3.43Å; I303-L307 PolarHBondContact O-N 3.39Å; I304-L307 PolarHBondContact O-N 3.35Å; L307-L309 VanDerWaalsContact C-N 3.35Å; L307-R310 PolarHBondContact O-N 3.42Å; L307-A311 WeakPolarHBondContact O-CB 3.25Å; L307-A311 PolarHBondContact O-N 3.03Å
308	L	84.2	Confident	79.3	Confident	108 Å²	108	101.4 Å²	101.4	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-64.4	-38.9	174.1	-71.6	172.2	0	0	0	111.6	I304 A305 A311 T312	I304-L308 HydrophobicContact CG2-CD1 3.9Å; I304-L308 HydrophobicContact CG2-CG 4.32Å; I304-L308 WeakPolarHBondContact O-CB 3.45Å; I304-L308 VanDerWaalsContact O-CG 3.28Å; I304-L308 WeakPolarHBondContact O-CG 3.43Å; I304-L308 PolarHBondContact O-N 2.97Å; A305-L308 PolarHBondContact O-N 3.03Å; L308-A311 PolarHBondContact O-N 3.03Å; L308-T312 WeakPolarHBondContact O-CB 3.36Å; L308-T312 VanDerWaalsContact O-CG2 3.28Å; L308-T312 WeakPolarHBondContact O-CG2 3.44Å; L308-T312 PolarHBondContact O-N 3.29Å; L308-T312 PolarHBondContact O-OG1 3.48Å
309	L	84.7	Confident	79	Confident	111 Å²	111	101.8 Å²	101.8	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-44.4	173.7	-167.4	82.5	0	0	0	111	A305 G306 L307 T312 L313	A305-L309 WeakPolarHBondContact O-CB 3.2Å; A305-L309 PolarHBondContact O-N 2.92Å; G306-L309 PolarHBondContact O-N 3.48Å; L307-L309 VanDerWaalsContact C-N 3.35Å; L309-T312 WeakPolarHBondContact CA-OG1 3.36Å; L309-T312 PolarHBondContact O-N 3.09Å; L309-T312 PolarHBondContact O-OG1 2.82Å; L309-L313 HydrophobicContact CG-CD1 4.36Å; L309-L313 WeakPolarHBondContact O-CB 3.35Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.39Å
310	R	80.9	Confident	78.3	Confident	178 Å²	178	101.2 Å²	101.2	67%	0.672	52%	0.516	S	S	*	.	H	α-helix	trans	-65.7	-41.9	177.3	-170.4	171.1	-179.3	167.4	-2.8	112.1	G306 L307 L313 N314	G306-R310 PolarHBondContact O-N 2.83Å; L307-R310 PolarHBondContact O-N 3.42Å; R310-L313 PolarHBondContact O-N 2.9Å; R310-N314 WeakPolarHBondContact O-CB 3.46Å; R310-N314 PolarHBondContact O-N 3.2Å
311	A	77.4	Confident	77.8	Confident	47 Å²	47	99.6 Å²	99.6	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-43.1	175.8	0	0	0	0	0	111.8	L307 L308 N314 L315	L307-A311 WeakPolarHBondContact O-CB 3.25Å; L307-A311 PolarHBondContact O-N 3.03Å; L308-A311 PolarHBondContact O-N 3.03Å; A311-N314 PolarHBondContact O-N 2.91Å; A311-L315 WeakPolarHBondContact O-CD1 3.45Å; A311-L315 WeakPolarHBondContact O-CG 3.42Å; A311-L315 PolarHBondContact O-N 3.41Å
312	T	80.8	Confident	77.3	Confident	64 Å²	64	96.7 Å²	96.7	39%	0.393	51%	0.507	S	S	.	.	H	α-helix	trans	-66.9	-39.6	176.4	50.2	0	0	0	0	112.3	L308 L309 N314 L315 I316	L308-T312 WeakPolarHBondContact O-CB 3.36Å; L308-T312 VanDerWaalsContact O-CG2 3.28Å; L308-T312 WeakPolarHBondContact O-CG2 3.44Å; L308-T312 PolarHBondContact O-N 3.29Å; L308-T312 PolarHBondContact O-OG1 3.48Å; L309-T312 WeakPolarHBondContact CA-OG1 3.36Å; L309-T312 PolarHBondContact O-N 3.09Å; L309-T312 PolarHBondContact O-OG1 2.82Å; T312-N314 PolarHBondContact O-N 3.35Å; T312-L315 PolarHBondContact O-N 2.7Å; T312-I316 WeakPolarHBondContact O-CB 3.41Å; T312-I316 WeakPolarHBondContact O-CD1 3.24Å; T312-I316 WeakPolarHBondContact O-CG1 3.34Å; T312-I316 PolarHBondContact O-N 3.47Å
313	L	76.2	Confident	76.4	Confident	100 Å²	100	98.1 Å²	98.1	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-62.9	-40.6	173.1	-72.1	172.3	0	0	0	112.2	L309 R310 L315 I316 R317	L309-L313 HydrophobicContact CG-CD1 4.36Å; L309-L313 WeakPolarHBondContact O-CB 3.35Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.39Å; R310-L313 PolarHBondContact O-N 2.9Å; L313-L315 VanDerWaalsContact C-N 3.3Å; L313-L315 PolarHBondContact O-N 3.2Å; L313-I316 PolarHBondContact O-N 2.92Å; L313-R317 WeakPolarHBondContact O-CB 3.11Å; L313-R317 PolarHBondContact O-N 2.92Å
314	N	74.1	Confident	75.5	Confident	98 Å²	98	98 Å²	98	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-67.8	-26.8	175.2	-78.9	-7.2	0	0	0	113.2	R310 A311 T312 P318	R310-N314 WeakPolarHBondContact O-CB 3.46Å; R310-N314 PolarHBondContact O-N 3.2Å; A311-N314 PolarHBondContact O-N 2.91Å; T312-N314 PolarHBondContact O-N 3.35Å; N314-P318 WeakPolarHBondContact O-CD 3.44Å; N314-P318 WeakPolarHBondContact O-CG 3.47Å
315	L	75.3	Confident	74.4	Confident	117 Å²	117	95.1 Å²	95.1	61%	0.613	50%	0.5	S	S	*	.	H	α-helix	trans	-78.6	-36.1	171.6	-78.7	156.8	0	0	0	112.2	A311 T312 L313 P318 I319	A311-L315 WeakPolarHBondContact O-CD1 3.45Å; A311-L315 WeakPolarHBondContact O-CG 3.42Å; A311-L315 PolarHBondContact O-N 3.41Å; T312-L315 PolarHBondContact O-N 2.7Å; L313-L315 VanDerWaalsContact C-N 3.3Å; L313-L315 PolarHBondContact O-N 3.2Å; L315-P318 WeakPolarHBondContact O-CD 3.31Å; L315-P318 WeakPolarHBondContact O-CG 3.4Å; L315-I319 WeakPolarHBondContact O-CD1 3.19Å; L315-I319 WeakPolarHBondContact O-CG1 3.44Å
316	I	76.4	Confident	73.2	Confident	78 Å²	78	98.7 Å²	98.7	40%	0.4	50%	0.504	S	S	.	.	H	α-helix	trans	-73.6	-39.2	-179	-69.9	164	0	0	0	111.3	T312 L313 I319 Q320	T312-I316 WeakPolarHBondContact O-CB 3.41Å; T312-I316 WeakPolarHBondContact O-CD1 3.24Å; T312-I316 WeakPolarHBondContact O-CG1 3.34Å; T312-I316 PolarHBondContact O-N 3.47Å; L313-I316 PolarHBondContact O-N 2.92Å; I316-I319 CarbonylContact O-C 3.5Å; I316-I319 WeakPolarHBondContact O-CA 3.38Å; I316-I319 WeakPolarHBondContact O-CB 3.27Å; I316-I319 PolarHBondContact O-N 2.84Å; I316-Q320 VanDerWaalsContact CG2-OE1 3.3Å; I316-Q320 PolarHBondContact O-N 3.07Å
317	R	72.9	Confident	72.1	Confident	162 Å²	162	102.3 Å²	102.3	61%	0.611	51%	0.513	S	S	*	.	H	α-helix	trans	-52.2	-52.2	-179	-172.7	177.4	-175.1	167.1	5.7	113.6	L313 I319 Q320 E321	L313-R317 WeakPolarHBondContact O-CB 3.11Å; L313-R317 PolarHBondContact O-N 2.92Å; R317-I319 VanDerWaalsContact C-N 3.3Å; R317-I319 PolarHBondContact O-N 3.35Å; R317-Q320 PolarHBondContact O-N 3.14Å; R317-E321 IonicContact NE-OE1 3.39Å; R317-E321 PolarHBondContact NE-OE1 3.32Å; R317-E321 WeakPolarHBondContact O-CB 3.48Å; R317-E321 WeakPolarHBondContact O-CG 3.43Å; R317-E321 PolarHBondContact O-N 2.99Å
318	P	67.1	Low	70.7	Confident	68 Å²	68	104.1 Å²	104.1	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-66.9	-28.2	175.9	23	-30.8	0	0	0	113	N314 L315 L322	N314-P318 WeakPolarHBondContact O-CD 3.44Å; N314-P318 WeakPolarHBondContact O-CG 3.47Å; L315-P318 WeakPolarHBondContact O-CD 3.31Å; L315-P318 WeakPolarHBondContact O-CG 3.4Å; P318-L322 WeakPolarHBondContact O-CB 3.46Å; P318-L322 PolarHBondContact O-N 3.08Å
319	I	68.5	Low	69.5	Low	93 Å²	93	104.1 Å²	104.1	48%	0.477	51%	0.513	S	S	.	.	H	α-helix	trans	-70.5	-40	174.9	-63.3	169.1	0	0	0	110.9	L315 I316 R317 L322 K323	L315-I319 WeakPolarHBondContact O-CD1 3.19Å; L315-I319 WeakPolarHBondContact O-CG1 3.44Å; I316-I319 CarbonylContact O-C 3.5Å; I316-I319 WeakPolarHBondContact O-CA 3.38Å; I316-I319 WeakPolarHBondContact O-CB 3.27Å; I316-I319 PolarHBondContact O-N 2.84Å; R317-I319 VanDerWaalsContact C-N 3.3Å; R317-I319 PolarHBondContact O-N 3.35Å; I319-L322 PolarHBondContact O-N 2.66Å; I319-K323 WeakPolarHBondContact O-CB 3.26Å; I319-K323 WeakPolarHBondContact O-CG 3.4Å; I319-K323 PolarHBondContact O-N 3.16Å
320	Q	65.4	Low	68	Low	113 Å²	113	106.3 Å²	106.3	53%	0.528	52%	0.518	S	S	.	.	H	α-helix	trans	-66.3	-46.1	173.7	-108.7	164.5	-33.3	0	0	110.7	I316 R317 L322 K323 D324	I316-Q320 VanDerWaalsContact CG2-OE1 3.3Å; I316-Q320 PolarHBondContact O-N 3.07Å; R317-Q320 PolarHBondContact O-N 3.14Å; Q320-L322 VanDerWaalsContact C-N 3.3Å; Q320-L322 PolarHBondContact O-N 3Å; Q320-K323 PolarHBondContact O-N 2.62Å; Q320-K323 VanDerWaalsContact O-N 3.13Å; Q320-D324 WeakPolarHBondContact O-CB 3.38Å; Q320-D324 VanDerWaalsContact O-CG 3.28Å; Q320-D324 PolarHBondContact O-N 3.05Å
321	E	69.2	Low	66.8	Low	101 Å²	101	102.4 Å²	102.4	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-61	-37.3	174.4	-72.7	173.1	-171.4	0	0	111.9	R317 A325	R317-E321 IonicContact NE-OE1 3.39Å; R317-E321 PolarHBondContact NE-OE1 3.32Å; R317-E321 WeakPolarHBondContact O-CB 3.48Å; R317-E321 WeakPolarHBondContact O-CG 3.43Å; R317-E321 PolarHBondContact O-N 2.99Å; E321-A325 WeakPolarHBondContact O-CA 3.47Å; E321-A325 WeakPolarHBondContact O-CB 3.37Å; E321-A325 PolarHBondContact O-N 3.16Å
322	L	67.8	Low	66	Low	102 Å²	102	103.7 Å²	103.7	53%	0.534	53%	0.529	S	S	.	.	H	α-helix	trans	-69.2	-38.1	174.2	-169.9	79.2	0	0	0	112.2	P318 I319 Q320 K326	P318-L322 WeakPolarHBondContact O-CB 3.46Å; P318-L322 PolarHBondContact O-N 3.08Å; I319-L322 PolarHBondContact O-N 2.66Å; Q320-L322 VanDerWaalsContact C-N 3.3Å; Q320-L322 PolarHBondContact O-N 3Å; L322-K326 VanDerWaalsContact O-CB 3.28Å; L322-K326 WeakPolarHBondContact O-CB 3.01Å; L322-K326 WeakPolarHBondContact O-CG 3.4Å; L322-K326 PolarHBondContact O-N 3.12Å
323	K	62.8	Low	64.9	Low	136 Å²	136	103.4 Å²	103.4	59%	0.591	52%	0.523	S	S	*	.	H	α-helix	trans	-66.3	-44.8	174.3	-82.8	-178.8	178.7	177.4	0	110.6	I319 Q320 K326 L327	I319-K323 WeakPolarHBondContact O-CB 3.26Å; I319-K323 WeakPolarHBondContact O-CG 3.4Å; I319-K323 PolarHBondContact O-N 3.16Å; Q320-K323 PolarHBondContact O-N 2.62Å; Q320-K323 VanDerWaalsContact O-N 3.13Å; K323-K326 PolarHBondContact O-N 2.89Å; K323-L327 WeakPolarHBondContact O-CB 3.11Å; K323-L327 PolarHBondContact O-N 2.93Å
324	D	65.6	Low	64.6	Low	78 Å²	78	102.6 Å²	102.6	42%	0.417	52%	0.522	S	S	.	.	H	α-helix	trans	-69.5	-35.2	177.7	-67.8	-15.9	0	0	0	111.6	Q320 R328	Q320-D324 WeakPolarHBondContact O-CB 3.38Å; Q320-D324 VanDerWaalsContact O-CG 3.28Å; Q320-D324 PolarHBondContact O-N 3.05Å; D324-R328 WeakPolarHBondContact O-CB 3Å; D324-R328 VanDerWaalsContact O-CG 3.23Å; D324-R328 WeakPolarHBondContact O-CG 3.33Å; D324-R328 PolarHBondContact O-N 2.84Å; D324-R328 PolarHBondContact O-NE 3.14Å
325	A	60.4	Low	64.3	Low	35 Å²	35	105.8 Å²	105.8	29%	0.289	53%	0.532	S	S	.	.	H	α-helix	trans	-69.2	-38.2	171.5	0	0	0	0	0	111.4	E321 N329	E321-A325 WeakPolarHBondContact O-CA 3.47Å; E321-A325 WeakPolarHBondContact O-CB 3.37Å; E321-A325 PolarHBondContact O-N 3.16Å; A325-N329 WeakPolarHBondContact O-CB 3.47Å; A325-N329 PolarHBondContact O-N 3.38Å; A325-N329 PolarHBondContact O-ND2 2.83Å; A325-N329 PolarHBondContact O-OD1 2.78Å
326	K	58.1	Low	64.1	Low	133 Å²	133	105.4 Å²	105.4	58%	0.578	53%	0.534	S	S	*	.	H	α-helix	trans	-69.6	-36.2	172.8	-85.9	178.9	176.6	172.1	0	112.5	L322 K323 K330	L322-K326 VanDerWaalsContact O-CB 3.28Å; L322-K326 WeakPolarHBondContact O-CB 3.01Å; L322-K326 WeakPolarHBondContact O-CG 3.4Å; L322-K326 PolarHBondContact O-N 3.12Å; K323-K326 PolarHBondContact O-N 2.89Å; K326-K330 WeakPolarHBondContact O-CB 3.48Å; K326-K330 WeakPolarHBondContact O-CG 3.38Å; K326-K330 PolarHBondContact O-N 3.22Å
327	L	59.1	Low	63.7	Low	115 Å²	115	106.7 Å²	106.7	60%	0.602	54%	0.539	S	S	*	.	H	α-helix	trans	-67.4	-48.4	173.6	-95.1	148.3	0	0	0	110.3	K323 K330 S331	K323-L327 WeakPolarHBondContact O-CB 3.11Å; K323-L327 PolarHBondContact O-N 2.93Å; L327-K330 CarbonylContact O-C 3.55Å; L327-K330 PolarHBondContact O-N 3.05Å; L327-K330 VanDerWaalsContact O-N 3.15Å; L327-S331 WeakPolarHBondContact O-CB 3.21Å; L327-S331 PolarHBondContact O-N 2.92Å; L327-S331 PolarHBondContact O-OG 2.96Å; L327-S331 VanDerWaalsContact O-OG 3.06Å
328	R	58.4	Low	63.7	Low	149 Å²	149	102.5 Å²	102.5	56%	0.562	53%	0.528	S	S	*	.	H	α-helix	trans	-60.3	-44.4	173	-77.2	-179.1	-76.4	-146.7	1.2	112.1	D324 K330 S331 A332	D324-R328 WeakPolarHBondContact O-CB 3Å; D324-R328 VanDerWaalsContact O-CG 3.23Å; D324-R328 WeakPolarHBondContact O-CG 3.33Å; D324-R328 PolarHBondContact O-N 2.84Å; D324-R328 PolarHBondContact O-NE 3.14Å; R328-K330 PolarHBondContact O-N 3.42Å; R328-S331 WeakPolarHBondContact CA-OG 3.37Å; R328-S331 PolarHBondContact O-N 2.8Å; R328-S331 PolarHBondContact O-OG 3.13Å; R328-A332 WeakPolarHBondContact O-CA 3.24Å; R328-A332 WeakPolarHBondContact O-CB 3.21Å; R328-A332 PolarHBondContact O-N 2.93Å
329	N	58.7	Low	63.8	Low	108 Å²	108	101.7 Å²	101.7	58%	0.578	52%	0.518	S	S	*	.	H	α-helix	trans	-68	-22.7	176.9	-72.6	-9.2	0	0	0	112.8	A325 Q333	A325-N329 WeakPolarHBondContact O-CB 3.47Å; A325-N329 PolarHBondContact O-N 3.38Å; A325-N329 PolarHBondContact O-ND2 2.83Å; A325-N329 PolarHBondContact O-OD1 2.78Å; N329-Q333 VanDerWaalsContact O-CG 3.22Å; N329-Q333 WeakPolarHBondContact O-CG 3.29Å; N329-Q333 PolarHBondContact O-NE2 3.19Å
330	K	53	Low	63.8	Low	157 Å²	157	103.7 Å²	103.7	68%	0.683	52%	0.523	S	S	*	.	H	α-helix	trans	-86.6	-33.5	172.7	-80.9	-179.6	175.5	-177	0	112.8	K326 L327 R328	K326-K330 WeakPolarHBondContact O-CB 3.48Å; K326-K330 WeakPolarHBondContact O-CG 3.38Å; K326-K330 PolarHBondContact O-N 3.22Å; L327-K330 CarbonylContact O-C 3.55Å; L327-K330 PolarHBondContact O-N 3.05Å; L327-K330 VanDerWaalsContact O-N 3.15Å; R328-K330 PolarHBondContact O-N 3.42Å
331	S	56.6	Low	64	Low	96 Å²	96	101.8 Å²	101.8	67%	0.671	52%	0.517	S	S	*	.	H	α-helix	trans	-84.2	-25.2	178.2	62.7	0	0	0	0	113.4	L327 R328	L327-S331 WeakPolarHBondContact O-CB 3.21Å; L327-S331 PolarHBondContact O-N 2.92Å; L327-S331 PolarHBondContact O-OG 2.96Å; L327-S331 VanDerWaalsContact O-OG 3.06Å; R328-S331 WeakPolarHBondContact CA-OG 3.37Å; R328-S331 PolarHBondContact O-N 2.8Å; R328-S331 PolarHBondContact O-OG 3.13Å
332	A	58.7	Low	64	Low	74 Å²	74	101.2 Å²	101.2	61%	0.612	52%	0.516	S	S	*	.	S	Bend	trans	-85.8	-10.5	176.5	0	0	0	0	0	113.2	R328 T334	R328-A332 WeakPolarHBondContact O-CA 3.24Å; R328-A332 WeakPolarHBondContact O-CB 3.21Å; R328-A332 PolarHBondContact O-N 2.93Å; A332-T334 PolarHBondContact O-N 3.37Å; A332-T334 VanDerWaalsContact O-N 3.08Å
333	Q	58.2	Low	63.6	Low	59 Å²	59	99 Å²	99	28%	0.276	50%	0.503	S	S	.	.	S	Bend	trans	-66.5	113.1	170	-83.8	173.2	41.9	0	0	108.3	N329 E337 L338 N341	N329-Q333 VanDerWaalsContact O-CG 3.22Å; N329-Q333 WeakPolarHBondContact O-CG 3.29Å; N329-Q333 PolarHBondContact O-NE2 3.19Å; Q333-E337 HydrophobicContact CB-CB 4.46Å; Q333-E337 HydrophobicContact CG-CB 4.44Å; Q333-E337 HydrophobicContact CG-CG 4.21Å; Q333-L338 HydrophobicContact CB-CB 4.31Å; Q333-N341 PolarHBondContact OE1-ND2 3.31Å
334	T	69.9	Low	63.9	Low	83 Å²	83	96.2 Å²	96.2	51%	0.509	50%	0.497	S	S	.	.			trans	-54	151.6	166.9	63.7	0	0	0	0	108.8	A332 V336 E337 L338	A332-T334 PolarHBondContact O-N 3.37Å; A332-T334 VanDerWaalsContact O-N 3.08Å; T334-V336 PolarHBondContact O-N 3.49Å; T334-E337 PolarHBondContact O-N 3.27Å; T334-E337 PolarHBondContact OG1-N 3.47Å; T334-L338 PolarHBondContact O-N 3.04Å
335	F	68.5	Low	63.8	Low	164 Å²	164	99.5 Å²	99.5	72%	0.719	51%	0.508	S	S	*	.	H	α-helix	trans	-50.2	-36	176.2	177.6	-96	0	0	0	112.2	Q339	F335-Q339 VanDerWaalsContact O-CB 3.32Å; F335-Q339 WeakPolarHBondContact O-CB 3.23Å; F335-Q339 PolarHBondContact O-N 2.95Å
336	V	69.9	Low	63.6	Low	110 Å²	110	101.9 Å²	101.9	67%	0.667	52%	0.515	S	S	*	.	H	α-helix	trans	-62.6	-44.5	175.9	179.8	0	0	0	0	111.8	T334 Q339 K340	T334-V336 PolarHBondContact O-N 3.49Å; V336-Q339 PolarHBondContact O-N 3.48Å; V336-K340 WeakPolarHBondContact O-CB 3.32Å; V336-K340 PolarHBondContact O-N 3.11Å
337	E	69.8	Low	63.5	Low	105 Å²	105	99.6 Å²	99.6	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-73.2	-38.4	-178.4	-166.7	139.3	-158.5	0	0	112.6	Q333 T334 Q339 K340 N341	Q333-E337 HydrophobicContact CB-CB 4.46Å; Q333-E337 HydrophobicContact CG-CB 4.44Å; Q333-E337 HydrophobicContact CG-CG 4.21Å; T334-E337 PolarHBondContact O-N 3.27Å; T334-E337 PolarHBondContact OG1-N 3.47Å; E337-Q339 VanDerWaalsContact C-N 3.31Å; E337-Q339 PolarHBondContact O-N 3.03Å; E337-K340 PolarHBondContact O-N 3.12Å; E337-N341 WeakPolarHBondContact O-CB 3.49Å; E337-N341 VanDerWaalsContact O-CG 3.27Å; E337-N341 PolarHBondContact O-N 3.38Å; E337-N341 PolarHBondContact O-ND2 2.87Å
338	L	71.9	Confident	63.6	Low	73 Å²	73	99.7 Å²	99.7	38%	0.382	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-41.6	174.8	-151	158.8	0	0	0	110.4	Q333 T334 N341 I342	Q333-L338 HydrophobicContact CB-CB 4.31Å; T334-L338 PolarHBondContact O-N 3.04Å; L338-N341 PolarHBondContact O-N 3.13Å; L338-I342 HydrophobicContact CD2-CD1 3.47Å; L338-I342 VanDerWaalsContact CD2-CD1 3.47Å; L338-I342 HydrophobicContact CD2-CG1 4.13Å; L338-I342 WeakPolarHBondContact O-CG1 3.35Å; L338-I342 PolarHBondContact O-N 2.99Å
339	Q	70.2	Confident	63.6	Low	51 Å²	51	97.5 Å²	97.5	24%	0.238	51%	0.509	C	S	.	.	H	α-helix	trans	-62.7	-46.7	174.7	-166.9	179.5	-50.1	0	0	111.7	F335 V336 E337 N341 I342 E343 Y356	F335-Q339 VanDerWaalsContact O-CB 3.32Å; F335-Q339 WeakPolarHBondContact O-CB 3.23Å; F335-Q339 PolarHBondContact O-N 2.95Å; V336-Q339 PolarHBondContact O-N 3.48Å; E337-Q339 VanDerWaalsContact C-N 3.31Å; E337-Q339 PolarHBondContact O-N 3.03Å; Q339-N341 VanDerWaalsContact C-N 3.31Å; Q339-N341 PolarHBondContact O-N 2.75Å; Q339-I342 PolarHBondContact O-N 3.31Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.29Å; Q339-E343 PolarHBondContact NE2-OE1 2.92Å; Q339-E343 WeakPolarHBondContact O-CB 3.45Å; Q339-E343 VanDerWaalsContact O-CG 3.32Å; Q339-E343 WeakPolarHBondContact O-CG 3.49Å; Q339-E343 PolarHBondContact O-N 3.45Å; Q339-Y356 PolarHBondContact NE2-OH 2.72Å; Q339-Y356 VanDerWaalsContact NE2-OH 3.13Å
340	K	68.6	Low	63.5	Low	135 Å²	135	100.6 Å²	100.6	59%	0.587	52%	0.519	S	S	*	.	H	α-helix	trans	-59.8	-40.1	176.7	-166.2	178.1	-177.2	179.6	0	112.2	V336 E337 E343 V344	V336-K340 WeakPolarHBondContact O-CB 3.32Å; V336-K340 PolarHBondContact O-N 3.11Å; E337-K340 PolarHBondContact O-N 3.12Å; K340-E343 PolarHBondContact O-N 2.86Å; K340-V344 WeakPolarHBondContact O-CG2 3.13Å; K340-V344 PolarHBondContact O-N 3.27Å
341	N	68.2	Low	64	Low	73 Å²	73	100.8 Å²	100.8	39%	0.39	53%	0.527	S	S	.	.	H	α-helix	trans	-67.7	-40.2	177.7	-74.6	-25.8	0	0	0	112.8	Q333 E337 L338 Q339 K345	Q333-N341 PolarHBondContact OE1-ND2 3.31Å; E337-N341 WeakPolarHBondContact O-CB 3.49Å; E337-N341 VanDerWaalsContact O-CG 3.27Å; E337-N341 PolarHBondContact O-N 3.38Å; E337-N341 PolarHBondContact O-ND2 2.87Å; L338-N341 PolarHBondContact O-N 3.13Å; Q339-N341 VanDerWaalsContact C-N 3.31Å; Q339-N341 PolarHBondContact O-N 2.75Å; N341-K345 WeakPolarHBondContact O-CB 3.32Å; N341-K345 PolarHBondContact O-N 2.95Å
342	I	69.4	Low	63.9	Low	89 Å²	89	97.4 Å²	97.4	46%	0.456	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-43.9	173.3	-70.1	170.8	0	0	0	110.1	L338 Q339 K345 L346	L338-I342 HydrophobicContact CD2-CD1 3.47Å; L338-I342 VanDerWaalsContact CD2-CD1 3.47Å; L338-I342 HydrophobicContact CD2-CG1 4.13Å; L338-I342 WeakPolarHBondContact O-CG1 3.35Å; L338-I342 PolarHBondContact O-N 2.99Å; Q339-I342 PolarHBondContact O-N 3.31Å; I342-K345 PolarHBondContact O-N 3.24Å; I342-L346 HydrophobicContact CG2-CD1 3.71Å; I342-L346 HydrophobicContact CG2-CG 4.27Å; I342-L346 WeakPolarHBondContact O-CB 3.37Å; I342-L346 WeakPolarHBondContact O-CG 3.33Å; I342-L346 PolarHBondContact O-N 3.14Å
343	E	60.5	Low	63.8	Low	56 Å²	56	101.3 Å²	101.3	26%	0.262	51%	0.51	S	S	.	.	H	α-helix	trans	-59.8	-45.6	177.1	-74.7	168.8	-170.7	0	0	111.7	Q339 K340 K345 L346 N347 Y356	Q339-E343 WeakPolarHBondContact CG-OE1 3.29Å; Q339-E343 PolarHBondContact NE2-OE1 2.92Å; Q339-E343 WeakPolarHBondContact O-CB 3.45Å; Q339-E343 VanDerWaalsContact O-CG 3.32Å; Q339-E343 WeakPolarHBondContact O-CG 3.49Å; Q339-E343 PolarHBondContact O-N 3.45Å; K340-E343 PolarHBondContact O-N 2.86Å; E343-K345 PolarHBondContact O-N 3.29Å; E343-L346 PolarHBondContact O-N 3.26Å; E343-N347 WeakPolarHBondContact O-CB 3.46Å; E343-N347 PolarHBondContact O-N 3.33Å; E343-N347 PolarHBondContact O-ND2 3.34Å; E343-Y356 WeakPolarHBondContact OE1-CD2 3.2Å
344	V	67.5	Low	63.7	Low	77 Å²	77	100.4 Å²	100.4	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-60.5	-45.6	175	170.6	0	0	0	0	111.3	K340 L346 N347 I348	K340-V344 WeakPolarHBondContact O-CG2 3.13Å; K340-V344 PolarHBondContact O-N 3.27Å; V344-L346 PolarHBondContact O-N 3.12Å; V344-N347 PolarHBondContact O-N 3.5Å; V344-I348 HydrophobicContact CG1-CD1 4.06Å; V344-I348 WeakPolarHBondContact O-CG1 2.95Å; V344-I348 PolarHBondContact O-N 3.43Å; V344-I348 VanDerWaalsContact O-N 3.09Å
345	K	64.4	Low	63.3	Low	147 Å²	147	102.3 Å²	102.3	64%	0.639	51%	0.509	S	S	*	.	H	α-helix	trans	-66.9	-38.6	-177.3	-160.4	174.4	-176.4	-178	0	112.5	N341 I342 E343 I348 D349	N341-K345 WeakPolarHBondContact O-CB 3.32Å; N341-K345 PolarHBondContact O-N 2.95Å; I342-K345 PolarHBondContact O-N 3.24Å; E343-K345 PolarHBondContact O-N 3.29Å; K345-I348 PolarHBondContact O-N 3.4Å; K345-D349 PolarHBondContact O-N 3.45Å
346	L	56.6	Low	62.4	Low	85 Å²	85	99.5 Å²	99.5	45%	0.445	49%	0.494	S	S	.	.	H	α-helix	trans	-72	-29.2	176.1	-70	174.6	0	0	0	112.9	I342 E343 V344 H350 G352	I342-L346 HydrophobicContact CG2-CD1 3.71Å; I342-L346 HydrophobicContact CG2-CG 4.27Å; I342-L346 WeakPolarHBondContact O-CB 3.37Å; I342-L346 WeakPolarHBondContact O-CG 3.33Å; I342-L346 PolarHBondContact O-N 3.14Å; E343-L346 PolarHBondContact O-N 3.26Å; V344-L346 PolarHBondContact O-N 3.12Å; L346-H350 PolarHBondContact O-N 3.48Å; L346-G352 PolarHBondContact O-N 2.94Å
347	N	54.7	Low	61.7	Low	85 Å²	85	96 Å²	96	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-71.5	-34.5	173.5	-83.2	-22.5	0	0	0	112.8	E343 V344 D349 H350	E343-N347 WeakPolarHBondContact O-CB 3.46Å; E343-N347 PolarHBondContact O-N 3.33Å; E343-N347 PolarHBondContact O-ND2 3.34Å; V344-N347 PolarHBondContact O-N 3.5Å; N347-D349 VanDerWaalsContact C-N 3.34Å; N347-H350 PolarHBondContact O-N 2.61Å; N347-H350 PolarHBondContact O-ND1 2.96Å; N347-H350 VanDerWaalsContact O-ND1 3.08Å
348	I	61.6	Low	61	Low	117 Å²	117	99.4 Å²	99.4	60%	0.6	49%	0.487	S	S	*	.	H	α-helix	trans	-63	-41.9	175.4	-68.8	164.3	0	0	0	111	V344 K345 H350	V344-I348 HydrophobicContact CG1-CD1 4.06Å; V344-I348 WeakPolarHBondContact O-CG1 2.95Å; V344-I348 PolarHBondContact O-N 3.43Å; V344-I348 VanDerWaalsContact O-N 3.09Å; K345-I348 PolarHBondContact O-N 3.4Å; I348-H350 PolarHBondContact O-N 3.04Å
349	D	58.8	Low	60.1	Low	104 Å²	104	102.5 Å²	102.5	56%	0.556	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.3	-179	-67.1	-24.1	0	0	0	112.7	K345 N347 L351	K345-D349 PolarHBondContact O-N 3.45Å; N347-D349 VanDerWaalsContact C-N 3.34Å; D349-L351 WeakPolarHBondContact O-CD1 3.44Å; D349-L351 PolarHBondContact O-N 2.85Å
350	H	57.3	Low	59	Low	173 Å²	173	105.2 Å²	105.2	80%	0.801	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	9.5	-176.8	-62.9	-38.3	0	0	0	116.2	L346 N347 I348	L346-H350 PolarHBondContact O-N 3.48Å; N347-H350 PolarHBondContact O-N 2.61Å; N347-H350 PolarHBondContact O-ND1 2.96Å; N347-H350 VanDerWaalsContact O-ND1 3.08Å; I348-H350 PolarHBondContact O-N 3.04Å
351	L	62.4	Low	58.2	Low	160 Å²	160	104.9 Å²	104.9	84%	0.838	52%	0.516	S	S	*	.			trans	-101.7	-1.8	-178.9	-92.4	81.9	0	0	0	113.5	D349	D349-L351 WeakPolarHBondContact O-CD1 3.44Å; D349-L351 PolarHBondContact O-N 2.85Å
352	G	55.8	Low	57.6	Low	25 Å²	25	111.2 Å²	111.2	26%	0.258	54%	0.535	S	S	.	.			trans	-77.3	119.6	177.6	0	0	0	0	0	113.3	L346 D354	L346-G352 PolarHBondContact O-N 2.94Å; G352-D354 PolarHBondContact O-N 3.02Å; G352-D354 VanDerWaalsContact O-N 3.13Å
353	F	55.4	Low	57.2	Low	156 Å²	156	110.9 Å²	110.9	68%	0.684	53%	0.531	S	S	*	.			trans	-75.2	96.3	159.2	-179.9	-98.9	0	0	0	108.5	K355 Y358	F353-K355 HydrophobicContact CD1-CB 4.46Å; F353-K355 HydrophobicContact CE1-CB 4.2Å; F353-K355 PolarHBondContact O-N 3.28Å; F353-Y358 HydrophobicContact CE2-CD2 4.23Å; F353-Y358 HydrophobicContact CE2-CG 4.26Å; F353-Y358 HydrophobicContact CZ-CD1 4.17Å; F353-Y358 HydrophobicContact CZ-CD2 4.21Å; F353-Y358 AromaticContact CZ-CG 3.82Å; F353-Y358 HydrophobicContact CZ-CG 3.82Å
354	D	55.5	Low	57.8	Low	41 Å²	41	114.3 Å²	114.3	22%	0.219	55%	0.546	C	S	.	.			trans	-74.9	98.1	173.9	-177	7.6	0	0	0	109.8	G352 Y356 A357 Y358	G352-D354 PolarHBondContact O-N 3.02Å; G352-D354 VanDerWaalsContact O-N 3.13Å; D354-Y356 PolarHBondContact O-N 3.38Å; D354-Y356 VanDerWaalsContact OD1-CA 3.29Å; D354-Y356 WeakPolarHBondContact OD1-CA 3.4Å; D354-Y356 WeakPolarHBondContact OD1-CB 3.41Å; D354-Y356 PolarHBondContact OD1-N 3.06Å; D354-A357 HydrophobicContact CB-CB 3.67Å; D354-A357 PolarHBondContact O-N 2.95Å; D354-A357 PolarHBondContact OD1-N 2.77Å; D354-A357 VanDerWaalsContact OD1-N 3.14Å; D354-A357 VanDerWaalsContact OD2-CB 3.23Å; D354-A357 WeakPolarHBondContact OD2-CB 3.19Å; D354-A357 PolarHBondContact OD2-N 2.68Å; D354-Y358 PolarHBondContact O-N 2.87Å
355	K	62.2	Low	58.4	Low	123 Å²	123	117.2 Å²	117.2	54%	0.535	55%	0.549	S	S	.	.	H	α-helix	trans	-56.9	-29.4	172.8	-179.4	-177.9	176.4	-174.6	0	111.3	F353 K359	F353-K355 HydrophobicContact CD1-CB 4.46Å; F353-K355 HydrophobicContact CE1-CB 4.2Å; F353-K355 PolarHBondContact O-N 3.28Å; K355-K359 VanDerWaalsContact O-CB 3.25Å; K355-K359 WeakPolarHBondContact O-CB 3.48Å; K355-K359 PolarHBondContact O-N 3.01Å
356	Y	50.6	Low	59.5	Low	104 Å²	104	110.9 Å²	110.9	41%	0.408	52%	0.522	S	S	.	.	H	α-helix	trans	-75.3	-49.1	174.1	-63.7	-79.1	0	0	0	110.4	Q339 E343 D354 Y358 K359 I360	Q339-Y356 PolarHBondContact NE2-OH 2.72Å; Q339-Y356 VanDerWaalsContact NE2-OH 3.13Å; E343-Y356 WeakPolarHBondContact OE1-CD2 3.2Å; D354-Y356 PolarHBondContact O-N 3.38Å; D354-Y356 VanDerWaalsContact OD1-CA 3.29Å; D354-Y356 WeakPolarHBondContact OD1-CA 3.4Å; D354-Y356 WeakPolarHBondContact OD1-CB 3.41Å; D354-Y356 PolarHBondContact OD1-N 3.06Å; Y356-Y358 PolarHBondContact O-N 3.21Å; Y356-Y358 VanDerWaalsContact O-N 3.12Å; Y356-K359 CarbonylContact O-C 3.54Å; Y356-K359 PolarHBondContact O-N 3.33Å; Y356-I360 HydrophobicContact CD1-CD1 4.34Å; Y356-I360 HydrophobicContact CG-CD1 4.41Å; Y356-I360 WeakPolarHBondContact O-CA 3.42Å; Y356-I360 WeakPolarHBondContact O-CB 3.26Å; Y356-I360 WeakPolarHBondContact O-CG1 3.5Å; Y356-I360 PolarHBondContact O-N 3.33Å
357	A	53.6	Low	61.1	Low	37 Å²	37	110.3 Å²	110.3	31%	0.306	52%	0.523	S	S	.	.	H	α-helix	trans	-50.9	-39.6	168.7	0	0	0	0	0	112.7	D354 N361	D354-A357 HydrophobicContact CB-CB 3.67Å; D354-A357 PolarHBondContact O-N 2.95Å; D354-A357 PolarHBondContact OD1-N 2.77Å; D354-A357 VanDerWaalsContact OD1-N 3.14Å; D354-A357 VanDerWaalsContact OD2-CB 3.23Å; D354-A357 WeakPolarHBondContact OD2-CB 3.19Å; D354-A357 PolarHBondContact OD2-N 2.68Å; A357-N361 WeakPolarHBondContact O-CB 3.26Å; A357-N361 PolarHBondContact O-N 2.81Å; A357-N361 VanDerWaalsContact O-N 3.16Å; A357-N361 PolarHBondContact O-ND2 2.95Å; A357-N361 VanDerWaalsContact O-ND2 3.16Å
358	Y	55	Low	62.8	Low	177 Å²	177	112.5 Å²	112.5	69%	0.694	53%	0.53	S	S	*	.	H	α-helix	trans	-73.9	-33.8	177.4	-167.5	-96.1	0	0	0	114	F353 D354 Y356	F353-Y358 HydrophobicContact CE2-CD2 4.23Å; F353-Y358 HydrophobicContact CE2-CG 4.26Å; F353-Y358 HydrophobicContact CZ-CD1 4.17Å; F353-Y358 HydrophobicContact CZ-CD2 4.21Å; F353-Y358 AromaticContact CZ-CG 3.82Å; F353-Y358 HydrophobicContact CZ-CG 3.82Å; D354-Y358 PolarHBondContact O-N 2.87Å; Y356-Y358 PolarHBondContact O-N 3.21Å; Y356-Y358 VanDerWaalsContact O-N 3.12Å
359	K	53.9	Low	64.3	Low	137 Å²	137	111.6 Å²	111.6	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-85.9	-31.1	175.3	-89	-169.8	167.3	-165.4	0	114.1	K355 Y356	K355-K359 VanDerWaalsContact O-CB 3.25Å; K355-K359 WeakPolarHBondContact O-CB 3.48Å; K355-K359 PolarHBondContact O-N 3.01Å; Y356-K359 CarbonylContact O-C 3.54Å; Y356-K359 PolarHBondContact O-N 3.33Å
360	I	47.6	Very low	66	Low	108 Å²	108	106.6 Å²	106.6	55%	0.554	50%	0.499	S	S	*	.	H	α-helix	trans	-83.5	-33.6	-174	-67.1	-180	0	0	0	110.6	Y356 R362	Y356-I360 HydrophobicContact CD1-CD1 4.34Å; Y356-I360 HydrophobicContact CG-CD1 4.41Å; Y356-I360 WeakPolarHBondContact O-CA 3.42Å; Y356-I360 WeakPolarHBondContact O-CB 3.26Å; Y356-I360 WeakPolarHBondContact O-CG1 3.5Å; Y356-I360 PolarHBondContact O-N 3.33Å; I360-R362 PolarHBondContact O-N 3.12Å
361	N	51.7	Low	67.8	Low	128 Å²	128	99.9 Å²	99.9	68%	0.684	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	11.5	176.3	-70	-18.6	0	0	0	113.7	A357 E363	A357-N361 WeakPolarHBondContact O-CB 3.26Å; A357-N361 PolarHBondContact O-N 2.81Å; A357-N361 VanDerWaalsContact O-N 3.16Å; A357-N361 PolarHBondContact O-ND2 2.95Å; A357-N361 VanDerWaalsContact O-ND2 3.16Å; N361-E363 PolarHBondContact O-N 3.26Å
362	R	56.2	Low	69.4	Low	206 Å²	206	97.9 Å²	97.9	78%	0.777	46%	0.455	S	S	*	.	S	Bend	trans	-64.1	96.8	154.1	-74	-171.3	174.8	-167.9	-2.9	105.9	I360 K364	I360-R362 PolarHBondContact O-N 3.12Å; R362-K364 PolarHBondContact O-N 2.75Å
363	E	59.6	Low	71.3	Confident	82 Å²	82	97.5 Å²	97.5	38%	0.383	45%	0.447	S	S	.	.			trans	-38.5	117.3	165.7	-70.4	179.8	159	0	0	107.5	N361 Y365 S441	N361-E363 PolarHBondContact O-N 3.26Å; E363-Y365 HydrophobicContact CB-CE1 4.46Å; E363-Y365 HydrophobicContact CB-CE2 4.23Å; E363-Y365 WeakPolarHBondContact O-CD2 3.47Å; E363-Y365 WeakPolarHBondContact O-CE2 3.17Å; E363-Y365 PolarHBondContact O-N 2.68Å; E363-Y365 VanDerWaalsContact O-N 3.08Å; E363-Y365 PolarHBondContact OE2-OH 3.45Å; E363-S441 PolarHBondContact OE2-OG 2.77Å
364	K	72.8	Confident	73.3	Confident	129 Å²	129	90.1 Å²	90.1	56%	0.561	41%	0.414	S	S	*	.			trans	-73.6	108.4	-175.8	-64.5	179.9	179.9	171.2	0	106.7	R362 A395 T396	R362-K364 PolarHBondContact O-N 2.75Å; K364-A395 WeakPolarHBondContact CD-O 3.3Å; K364-A395 PolarHBondContact NZ-O 2.92Å; K364-T396 HydrophobicContact CB-CG2 3.9Å; K364-T396 WeakPolarHBondContact O-CG2 3.44Å
365	Y	80.7	Confident	75.2	Confident	137 Å²	137	92.5 Å²	92.5	54%	0.537	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-81	151.2	174.2	-60.3	-77.4	0	0	0	110.1	E363 S441	E363-Y365 HydrophobicContact CB-CE1 4.46Å; E363-Y365 HydrophobicContact CB-CE2 4.23Å; E363-Y365 WeakPolarHBondContact O-CD2 3.47Å; E363-Y365 WeakPolarHBondContact O-CE2 3.17Å; E363-Y365 PolarHBondContact O-N 2.68Å; E363-Y365 VanDerWaalsContact O-N 3.08Å; E363-Y365 PolarHBondContact OE2-OH 3.45Å; Y365-S441 VanDerWaalsContact CE1-OG 3.29Å; Y365-S441 WeakPolarHBondContact CE1-OG 3.37Å
366	L	88.1	Confident	76.8	Confident	14 Å²	14	89.3 Å²	89.3	7%	0.073	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-60.4	146.6	167.4	-82.1	170	0	0	0	110.2	A370 V371 L374 S392 V393 T396 Y417 I440	L366-A370 HydrophobicContact CD2-CB 4.06Å; L366-V371 HydrophobicContact CB-CG2 3.76Å; L366-V371 HydrophobicContact CD1-CG2 4.3Å; L366-L374 HydrophobicContact CD1-CD1 3.93Å; L366-S392 WeakPolarHBondContact CD2-OG 3.47Å; L366-V393 HydrophobicContact CD2-CG2 3.75Å; L366-T396 HydrophobicContact CD2-CG2 4.42Å; L366-Y417 HydrophobicContact CD1-CD2 3.93Å; L366-Y417 HydrophobicContact CD1-CE2 4.2Å; L366-I440 HydrophobicContact CD1-CD1 3.42Å; L366-I440 VanDerWaalsContact CD1-CD1 3.42Å; L366-I440 HydrophobicContact CD1-CG1 4.1Å; L366-I440 HydrophobicContact CD1-CG2 3.97Å; L366-I440 HydrophobicContact CG-CD1 4.32Å; L366-I440 HydrophobicContact CG-CG2 3.69Å
367	T	89.6	Confident	78.8	Confident	74 Å²	74	87.7 Å²	87.7	45%	0.454	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-61.6	145.4	168.4	58.5	0	0	0	0	109.5	D369 A370 V371 S392	T367-D369 PolarHBondContact O-N 3.32Å; T367-A370 WeakPolarHBondContact O-CB 3.31Å; T367-A370 PolarHBondContact O-N 3.09Å; T367-A370 WeakPolarHBondContact OG1-CB 3.47Å; T367-A370 PolarHBondContact OG1-N 3.11Å; T367-V371 PolarHBondContact O-N 3.42Å; T367-S392 PolarHBondContact N-OG 3.49Å; T367-S392 PolarHBondContact OG1-OG 3.32Å
368	H	90.3	Very high	80.7	Confident	130 Å²	130	87.8 Å²	87.8	60%	0.602	42%	0.42	S	S	*	.	H	α-helix	trans	-57.5	-34.2	179.5	177.3	-109.1	0	0	0	112.3	V371 K372	H368-V371 PolarHBondContact O-N 2.99Å; H368-K372 WeakPolarHBondContact CE1-CE 3.3Å; H368-K372 PolarHBondContact CE1-NZ 2.88Å; H368-K372 VanDerWaalsContact CE1-NZ 3.27Å; H368-K372 PolarHBondContact O-N 3.41Å; H368-K372 VanDerWaalsContact O-N 3.09Å
369	D	93.3	Very high	82.5	Confident	98 Å²	98	86.9 Å²	86.9	52%	0.524	42%	0.419	S	S	.	.	H	α-helix	trans	-69.5	-39.2	175.8	-64.1	-26	0	0	0	112.1	T367 V371 K372 I373	T367-D369 PolarHBondContact O-N 3.32Å; D369-V371 VanDerWaalsContact C-N 3.34Å; D369-V371 PolarHBondContact O-N 2.96Å; D369-K372 PolarHBondContact O-N 2.97Å; D369-I373 WeakPolarHBondContact O-CD1 3.49Å; D369-I373 VanDerWaalsContact O-CG1 3.24Å; D369-I373 WeakPolarHBondContact O-CG1 3.42Å; D369-I373 PolarHBondContact O-N 2.96Å
370	A	94.4	Very high	84.5	Confident	0 Å²	0	86.8 Å²	86.8	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-63	-39.8	173.4	0	0	0	0	0	112.1	L366 T367 I373 L374 S392	L366-A370 HydrophobicContact CD2-CB 4.06Å; T367-A370 WeakPolarHBondContact O-CB 3.31Å; T367-A370 PolarHBondContact O-N 3.09Å; T367-A370 WeakPolarHBondContact OG1-CB 3.47Å; T367-A370 PolarHBondContact OG1-N 3.11Å; A370-I373 PolarHBondContact O-N 2.94Å; A370-L374 WeakPolarHBondContact O-CB 3.44Å; A370-L374 VanDerWaalsContact O-CG 3.27Å; A370-L374 WeakPolarHBondContact O-CG 3.48Å; A370-L374 PolarHBondContact O-N 3.47Å; A370-S392 WeakPolarHBondContact CB-OG 3.2Å
371	V	95.6	Very high	86.8	Confident	31 Å²	31	82.7 Å²	82.7	19%	0.188	39%	0.394	C	S	.	.	H	α-helix	trans	-59.9	-48.6	174.5	176.3	0	0	0	0	110.5	L366 T367 H368 D369 I373 L374 T375 Y417	L366-V371 HydrophobicContact CB-CG2 3.76Å; L366-V371 HydrophobicContact CD1-CG2 4.3Å; T367-V371 PolarHBondContact O-N 3.42Å; H368-V371 PolarHBondContact O-N 2.99Å; D369-V371 VanDerWaalsContact C-N 3.34Å; D369-V371 PolarHBondContact O-N 2.96Å; V371-I373 VanDerWaalsContact C-N 3.31Å; V371-I373 PolarHBondContact O-N 3.37Å; V371-L374 PolarHBondContact O-N 2.9Å; V371-L374 VanDerWaalsContact O-N 3.17Å; V371-T375 WeakPolarHBondContact O-CB 3.49Å; V371-T375 PolarHBondContact O-N 3.43Å; V371-T375 PolarHBondContact O-OG1 3.09Å; V371-Y417 HydrophobicContact CG1-CD1 3.81Å; V371-Y417 HydrophobicContact CG1-CE1 3.78Å; V371-Y417 HydrophobicContact CG1-CG 4.21Å; V371-Y417 HydrophobicContact CG2-CD2 4.44Å; V371-Y417 HydrophobicContact CG2-CE2 4.18Å
372	K	95.3	Very high	88.9	Confident	119 Å²	119	80.3 Å²	80.3	52%	0.517	38%	0.384	S	S	.	.	H	α-helix	trans	-56.3	-43.9	176.1	-74.3	174.7	176.1	166.1	0	112.7	H368 D369 T375 L376	H368-K372 WeakPolarHBondContact CE1-CE 3.3Å; H368-K372 PolarHBondContact CE1-NZ 2.88Å; H368-K372 VanDerWaalsContact CE1-NZ 3.27Å; H368-K372 PolarHBondContact O-N 3.41Å; H368-K372 VanDerWaalsContact O-N 3.09Å; D369-K372 PolarHBondContact O-N 2.97Å; K372-T375 PolarHBondContact O-N 3.22Å; K372-L376 PolarHBondContact O-N 2.99Å; K372-L376 VanDerWaalsContact O-N 3.1Å
373	I	96.5	Very high	90.8	Very high	17 Å²	17	76.9 Å²	76.9	9%	0.087	38%	0.377	C	S	.	.	H	α-helix	trans	-63.7	-43.6	178.6	-66.7	162.1	0	0	0	110.8	D369 A370 V371 T375 L376 R381 M385 A389	D369-I373 WeakPolarHBondContact O-CD1 3.49Å; D369-I373 VanDerWaalsContact O-CG1 3.24Å; D369-I373 WeakPolarHBondContact O-CG1 3.42Å; D369-I373 PolarHBondContact O-N 2.96Å; A370-I373 PolarHBondContact O-N 2.94Å; V371-I373 VanDerWaalsContact C-N 3.31Å; V371-I373 PolarHBondContact O-N 3.37Å; I373-T375 VanDerWaalsContact C-N 3.34Å; I373-L376 WeakPolarHBondContact O-CB 3.29Å; I373-L376 PolarHBondContact O-N 3.44Å; I373-R381 PolarHBondContact O-NE 3.49Å; I373-M385 HydrophobicContact CB-CE 4.48Å; I373-M385 HydrophobicContact CD1-CB 4.15Å; I373-M385 HydrophobicContact CG1-CB 4.17Å; I373-M385 HydrophobicContact CG1-CE 3.85Å; I373-M385 HydrophobicContact CG1-CG 4.43Å; I373-M385 HydrophobicContact CG2-CB 3.94Å; I373-M385 HydrophobicContact CG2-CE 4.39Å; I373-A389 HydrophobicContact CB-CB 4.33Å; I373-A389 HydrophobicContact CD1-CB 4.49Å; I373-A389 HydrophobicContact CG2-CB 3.83Å
374	L	96.5	Very high	92.5	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-76.4	-19.9	-178.2	-67.9	170.9	0	0	0	113.4	L366 A370 V371 R381 A389 V393 I412 W416 Y417 L496	L366-L374 HydrophobicContact CD1-CD1 3.93Å; A370-L374 WeakPolarHBondContact O-CB 3.44Å; A370-L374 VanDerWaalsContact O-CG 3.27Å; A370-L374 WeakPolarHBondContact O-CG 3.48Å; A370-L374 PolarHBondContact O-N 3.47Å; V371-L374 PolarHBondContact O-N 2.9Å; V371-L374 VanDerWaalsContact O-N 3.17Å; L374-R381 PolarHBondContact O-NH2 3.45Å; L374-A389 HydrophobicContact CD2-CB 4.44Å; L374-A389 HydrophobicContact CG-CB 4.44Å; L374-V393 HydrophobicContact CD1-CG2 4.06Å; L374-I412 HydrophobicContact CD2-CD1 4.28Å; L374-I412 HydrophobicContact CD2-CG2 4.31Å; L374-W416 VanDerWaalsContact O-CA 3.26Å; L374-W416 WeakPolarHBondContact O-CA 3.12Å; L374-W416 WeakPolarHBondContact O-CB 3.41Å; L374-Y417 PolarHBondContact O-N 3.16Å; L374-L496 HydrophobicContact CD1-CD1 4.07Å; L374-L496 HydrophobicContact CD2-CD1 3.84Å; L374-L496 HydrophobicContact CG-CD1 4.47Å
375	T	95.9	Very high	93.6	Very high	92 Å²	92	73.7 Å²	73.7	56%	0.564	38%	0.375	S	S	*	.	H	α-helix	trans	-81.6	-23.9	169	-55.7	0	0	0	0	112	V371 K372 I373	V371-T375 WeakPolarHBondContact O-CB 3.49Å; V371-T375 PolarHBondContact O-N 3.43Å; V371-T375 PolarHBondContact O-OG1 3.09Å; K372-T375 PolarHBondContact O-N 3.22Å; I373-T375 VanDerWaalsContact C-N 3.34Å
376	L	95.4	Very high	94.3	Very high	56 Å²	56	68 Å²	68	29%	0.293	35%	0.353	S	S	.	.	S	Bend	trans	-67.3	136.6	175.8	-171.7	71.2	0	0	0	110.8	K372 I373 Y380 R381 M385	K372-L376 PolarHBondContact O-N 2.99Å; K372-L376 VanDerWaalsContact O-N 3.1Å; I373-L376 WeakPolarHBondContact O-CB 3.29Å; I373-L376 PolarHBondContact O-N 3.44Å; L376-Y380 HydrophobicContact CD1-CD2 4.43Å; L376-Y380 WeakPolarHBondContact CD2-O 3.1Å; L376-R381 HydrophobicContact CD2-CG 4.36Å; L376-R381 VanDerWaalsContact O-CZ 3.31Å; L376-R381 PolarHBondContact O-NE 3.48Å; L376-R381 PolarHBondContact O-NH2 3.29Å; L376-M385 HydrophobicContact CD2-CE 3.54Å
377	P	93.7	Very high	94.6	Very high	69 Å²	69	72.9 Å²	72.9	45%	0.448	38%	0.376	S	S	.	.			trans	-55.2	139.3	174.5	-26.8	34.8	0	0	0	112.7	K379 Y380	P377-K379 HydrophobicContact CB-CG 4.16Å; P377-K379 PolarHBondContact O-N 3.43Å; P377-Y380 HydrophobicContact CB-CD2 3.94Å; P377-Y380 HydrophobicContact CB-CE2 4.32Å; P377-Y380 HydrophobicContact CG-CD2 4.09Å; P377-Y380 HydrophobicContact CG-CE2 4.32Å; P377-Y380 PolarHBondContact O-N 3.36Å
378	S	92.5	Very high	94.9	Very high	40 Å²	40	72.1 Å²	72.1	28%	0.28	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-46.3	-41	-176.6	172.9	0	0	0	0	113.9	Y380 R381 G413	S378-Y380 PolarHBondContact O-N 3.08Å; S378-Y380 VanDerWaalsContact O-N 3.14Å; S378-R381 PolarHBondContact O-N 3.38Å; S378-G413 VanDerWaalsContact CB-O 3.26Å; S378-G413 WeakPolarHBondContact CB-O 3.18Å; S378-G413 PolarHBondContact OG-O 3.28Å
379	K	93	Very high	95.1	Very high	157 Å²	157	65.9 Å²	65.9	68%	0.683	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61	-19.8	-180	56.4	170	167.8	167.4	0	115.7	P377	P377-K379 HydrophobicContact CB-CG 4.16Å; P377-K379 PolarHBondContact O-N 3.43Å
380	Y	95.8	Very high	95.1	Very high	136 Å²	136	61.7 Å²	61.7	53%	0.533	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-106.2	5.4	-177.7	-56.8	-56.2	0	0	0	112.9	L376 P377 S378	L376-Y380 HydrophobicContact CD1-CD2 4.43Å; L376-Y380 WeakPolarHBondContact CD2-O 3.1Å; P377-Y380 HydrophobicContact CB-CD2 3.94Å; P377-Y380 HydrophobicContact CB-CE2 4.32Å; P377-Y380 HydrophobicContact CG-CD2 4.09Å; P377-Y380 HydrophobicContact CG-CE2 4.32Å; P377-Y380 PolarHBondContact O-N 3.36Å; S378-Y380 PolarHBondContact O-N 3.08Å; S378-Y380 VanDerWaalsContact O-N 3.14Å
381	R	96.3	Very high	95	Very high	22 Å²	22	65.5 Å²	65.5	8%	0.083	35%	0.346	C	S	.	.			trans	-84.9	127.2	178.2	-61.7	-177.4	-173.9	161	6.1	109.8	I373 L374 L376 S378 I386 I412 A415	I373-R381 PolarHBondContact O-NE 3.49Å; L374-R381 PolarHBondContact O-NH2 3.45Å; L376-R381 HydrophobicContact CD2-CG 4.36Å; L376-R381 VanDerWaalsContact O-CZ 3.31Å; L376-R381 PolarHBondContact O-NE 3.48Å; L376-R381 PolarHBondContact O-NH2 3.29Å; S378-R381 PolarHBondContact O-N 3.38Å; R381-I386 HydrophobicContact CB-CD1 4.39Å; R381-I386 HydrophobicContact CB-CG1 4.08Å; R381-I412 PolarHBondContact NH1-O 2.85Å; R381-A415 VanDerWaalsContact CZ-O 3.3Å; R381-A415 PolarHBondContact NH1-O 2.8Å; R381-A415 PolarHBondContact NH2-O 3.28Å
382	T	96	Very high	94.8	Very high	78 Å²	78	64.7 Å²	64.7	48%	0.479	34%	0.341	S	S	.	.			trans	-86.5	160.7	171.8	65.6	0	0	0	0	110.8	S384 M385 I386	T382-S384 PolarHBondContact O-N 3Å; T382-M385 HydrophobicContact CG2-SD 4.22Å; T382-M385 WeakPolarHBondContact O-CB 3.01Å; T382-M385 PolarHBondContact O-N 3.25Å; T382-M385 VanDerWaalsContact OG1-CG 3.25Å; T382-M385 WeakPolarHBondContact OG1-CG 3.18Å; T382-M385 PolarHBondContact OG1-N 3.28Å; T382-M385 PolarHBondContact OG1-SD 3.2Å; T382-I386 WeakPolarHBondContact O-CG1 3.27Å; T382-I386 PolarHBondContact O-N 2.8Å
383	E	94.8	Very high	94.7	Very high	133 Å²	133	59 Å²	59	62%	0.621	32%	0.316	S	S	*	.	H	α-helix	trans	-55.4	-37	176.7	-72.4	-60	127.1	0	0	113	I386 H387	E383-I386 PolarHBondContact O-N 3.37Å; E383-H387 WeakPolarHBondContact O-CB 3.35Å; E383-H387 PolarHBondContact O-N 3.37Å
384	S	95.8	Very high	94.3	Very high	93 Å²	93	61.3 Å²	61.3	65%	0.65	33%	0.328	S	S	*	.	H	α-helix	trans	-66.1	-38.6	176	-173.3	0	0	0	0	112.3	T382 S388	T382-S384 PolarHBondContact O-N 3Å; S384-S388 PolarHBondContact O-N 3.49Å
385	M	96.3	Very high	93.8	Very high	52 Å²	52	63.8 Å²	63.8	26%	0.256	35%	0.349	S	S	.	.	H	α-helix	trans	-68.2	-42.7	176.9	-66.8	167.6	78	0	0	110.9	I373 L376 T382 H387 S388 A389	I373-M385 HydrophobicContact CB-CE 4.48Å; I373-M385 HydrophobicContact CD1-CB 4.15Å; I373-M385 HydrophobicContact CG1-CB 4.17Å; I373-M385 HydrophobicContact CG1-CE 3.85Å; I373-M385 HydrophobicContact CG1-CG 4.43Å; I373-M385 HydrophobicContact CG2-CB 3.94Å; I373-M385 HydrophobicContact CG2-CE 4.39Å; L376-M385 HydrophobicContact CD2-CE 3.54Å; T382-M385 HydrophobicContact CG2-SD 4.22Å; T382-M385 WeakPolarHBondContact O-CB 3.01Å; T382-M385 PolarHBondContact O-N 3.25Å; T382-M385 VanDerWaalsContact OG1-CG 3.25Å; T382-M385 WeakPolarHBondContact OG1-CG 3.18Å; T382-M385 PolarHBondContact OG1-N 3.28Å; T382-M385 PolarHBondContact OG1-SD 3.2Å; M385-H387 VanDerWaalsContact C-N 3.34Å; M385-H387 PolarHBondContact O-N 3.27Å; M385-S388 PolarHBondContact O-N 3.18Å; M385-A389 WeakPolarHBondContact O-CB 3.5Å; M385-A389 PolarHBondContact O-N 3.23Å
386	I	95.8	Very high	93.3	Very high	16 Å²	16	60.2 Å²	60.2	8%	0.082	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-50.1	175.3	-66.7	170.8	0	0	0	109.3	R381 T382 E383 S388 A389 T390 I412	R381-I386 HydrophobicContact CB-CD1 4.39Å; R381-I386 HydrophobicContact CB-CG1 4.08Å; T382-I386 WeakPolarHBondContact O-CG1 3.27Å; T382-I386 PolarHBondContact O-N 2.8Å; E383-I386 PolarHBondContact O-N 3.37Å; I386-S388 PolarHBondContact O-N 2.82Å; I386-A389 PolarHBondContact O-N 3.16Å; I386-T390 WeakPolarHBondContact O-CB 3.28Å; I386-T390 PolarHBondContact O-N 2.99Å; I386-T390 PolarHBondContact O-OG1 2.89Å; I386-I412 HydrophobicContact CG2-CB 4.37Å; I386-I412 HydrophobicContact CG2-CG2 4.06Å
387	H	94.6	Very high	92.9	Very high	117 Å²	117	57.6 Å²	57.6	54%	0.542	31%	0.313	S	S	.	.	H	α-helix	trans	-56.9	-47.5	178.1	-176.1	67.4	0	0	0	112.7	E383 M385 A389 T390 V391	E383-H387 WeakPolarHBondContact O-CB 3.35Å; E383-H387 PolarHBondContact O-N 3.37Å; M385-H387 VanDerWaalsContact C-N 3.34Å; M385-H387 PolarHBondContact O-N 3.27Å; H387-A389 PolarHBondContact O-N 3.5Å; H387-T390 PolarHBondContact O-N 3.32Å; H387-V391 WeakPolarHBondContact O-CG2 3.47Å; H387-V391 PolarHBondContact O-N 2.83Å
388	S	94.2	Very high	92.3	Very high	58 Å²	58	60.8 Å²	60.8	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-43.6	177.9	-173.3	0	0	0	0	112.6	S384 M385 I386 S392	S384-S388 PolarHBondContact O-N 3.49Å; M385-S388 PolarHBondContact O-N 3.18Å; I386-S388 PolarHBondContact O-N 2.82Å; S388-S392 PolarHBondContact O-N 3.16Å
389	A	95.3	Very high	91.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-39.6	177.7	0	0	0	0	0	111.5	I373 L374 M385 I386 H387 V391 S392 V393 I412	I373-A389 HydrophobicContact CB-CB 4.33Å; I373-A389 HydrophobicContact CD1-CB 4.49Å; I373-A389 HydrophobicContact CG2-CB 3.83Å; L374-A389 HydrophobicContact CD2-CB 4.44Å; L374-A389 HydrophobicContact CG-CB 4.44Å; M385-A389 WeakPolarHBondContact O-CB 3.5Å; M385-A389 PolarHBondContact O-N 3.23Å; I386-A389 PolarHBondContact O-N 3.16Å; H387-A389 PolarHBondContact O-N 3.5Å; A389-V391 PolarHBondContact O-N 3.47Å; A389-S392 PolarHBondContact O-N 2.99Å; A389-V393 WeakPolarHBondContact O-CG2 3.47Å; A389-V393 PolarHBondContact O-N 3.02Å; A389-I412 HydrophobicContact CB-CG2 3.72Å
390	T	94.4	Very high	91.3	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-56.8	-50.3	174.7	-63.1	0	0	0	0	111	I386 H387 S392 V393 I394 F400 Q408	I386-T390 WeakPolarHBondContact O-CB 3.28Å; I386-T390 PolarHBondContact O-N 2.99Å; I386-T390 PolarHBondContact O-OG1 2.89Å; H387-T390 PolarHBondContact O-N 3.32Å; T390-S392 VanDerWaalsContact C-N 3.3Å; T390-S392 PolarHBondContact O-N 2.95Å; T390-V393 PolarHBondContact O-N 3.44Å; T390-I394 HydrophobicContact CG2-CD1 3.74Å; T390-I394 HydrophobicContact CG2-CG1 4.33Å; T390-I394 VanDerWaalsContact O-CG1 3.26Å; T390-I394 WeakPolarHBondContact O-CG1 3.3Å; T390-I394 PolarHBondContact O-N 3.29Å; T390-F400 HydrophobicContact CG2-CE1 4.25Å; T390-F400 HydrophobicContact CG2-CZ 4.47Å; T390-Q408 HydrophobicContact CG2-CB 4.33Å
391	V	91.7	Very high	90.7	Very high	81 Å²	81	47.6 Å²	47.6	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-42	178	174.2	0	0	0	0	111.4	H387 A389 A395	H387-V391 WeakPolarHBondContact O-CG2 3.47Å; H387-V391 PolarHBondContact O-N 2.83Å; A389-V391 PolarHBondContact O-N 3.47Å; V391-A395 PolarHBondContact O-N 3.43Å
392	S	91.1	Very high	89.9	Confident	13 Å²	13	49.2 Å²	49.2	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-39.5	177.7	-168.5	0	0	0	0	112.7	L366 T367 A370 S388 A389 T390 T396	L366-S392 WeakPolarHBondContact CD2-OG 3.47Å; T367-S392 PolarHBondContact N-OG 3.49Å; T367-S392 PolarHBondContact OG1-OG 3.32Å; A370-S392 WeakPolarHBondContact CB-OG 3.2Å; S388-S392 PolarHBondContact O-N 3.16Å; A389-S392 PolarHBondContact O-N 2.99Å; T390-S392 VanDerWaalsContact C-N 3.3Å; T390-S392 PolarHBondContact O-N 2.95Å; S392-T396 WeakPolarHBondContact O-CG2 3.36Å; S392-T396 PolarHBondContact O-OG1 2.99Å
393	V	92.4	Very high	89.3	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-74.2	-38.3	180	175.4	0	0	0	0	111.6	L366 L374 A389 T390 A395 T396 T397 F400 I412 L496	L366-V393 HydrophobicContact CD2-CG2 3.75Å; L374-V393 HydrophobicContact CD1-CG2 4.06Å; A389-V393 WeakPolarHBondContact O-CG2 3.47Å; A389-V393 PolarHBondContact O-N 3.02Å; T390-V393 PolarHBondContact O-N 3.44Å; V393-A395 PolarHBondContact O-N 3.26Å; V393-T396 PolarHBondContact O-N 3.45Å; V393-T396 VanDerWaalsContact O-N 3.14Å; V393-T396 PolarHBondContact O-OG1 3.38Å; V393-T396 VanDerWaalsContact O-OG1 3.07Å; V393-T397 WeakPolarHBondContact O-CB 3.47Å; V393-T397 PolarHBondContact O-N 2.95Å; V393-F400 HydrophobicContact CB-CD1 4.18Å; V393-F400 HydrophobicContact CB-CE1 4.21Å; V393-F400 HydrophobicContact CG1-CB 4.08Å; V393-F400 HydrophobicContact CG1-CD1 3.53Å; V393-F400 HydrophobicContact CG1-CD2 4.1Å; V393-F400 HydrophobicContact CG1-CE1 3.95Å; V393-F400 HydrophobicContact CG1-CE2 4.47Å; V393-F400 HydrophobicContact CG1-CG 3.62Å; V393-F400 HydrophobicContact CG1-CZ 4.41Å; V393-I412 HydrophobicContact CB-CD1 3.95Å; V393-I412 HydrophobicContact CG1-CD1 4.2Å; V393-I412 HydrophobicContact CG2-CD1 3.63Å; V393-L496 HydrophobicContact CG1-CD2 4.22Å
394	I	88.9	Confident	88.7	Confident	65 Å²	65	42.9 Å²	42.9	33%	0.333	25%	0.249	S	C	.	.	H	α-helix	trans	-56.6	-41.6	173.4	-69.7	167.7	0	0	0	110.4	T390 T396 F400	T390-I394 HydrophobicContact CG2-CD1 3.74Å; T390-I394 HydrophobicContact CG2-CG1 4.33Å; T390-I394 VanDerWaalsContact O-CG1 3.26Å; T390-I394 WeakPolarHBondContact O-CG1 3.3Å; T390-I394 PolarHBondContact O-N 3.29Å; I394-T396 VanDerWaalsContact C-N 3.27Å; I394-T396 PolarHBondContact O-N 3.49Å; I394-F400 HydrophobicContact CG1-CD1 3.86Å; I394-F400 HydrophobicContact CG1-CE1 3.72Å
395	A	85.6	Confident	88.2	Confident	52 Å²	52	44.2 Å²	44.2	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-29.6	-178.7	0	0	0	0	0	113.2	K364 V391 V393	K364-A395 WeakPolarHBondContact CD-O 3.3Å; K364-A395 PolarHBondContact NZ-O 2.92Å; V391-A395 PolarHBondContact O-N 3.43Å; V393-A395 PolarHBondContact O-N 3.26Å
396	T	85.2	Confident	87.7	Confident	18 Å²	18	45.4 Å²	45.4	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-98.6	-31.1	-175.2	57.7	0	0	0	0	113.9	K364 L366 S392 V393 I394	K364-T396 HydrophobicContact CB-CG2 3.9Å; K364-T396 WeakPolarHBondContact O-CG2 3.44Å; L366-T396 HydrophobicContact CD2-CG2 4.42Å; S392-T396 WeakPolarHBondContact O-CG2 3.36Å; S392-T396 PolarHBondContact O-OG1 2.99Å; V393-T396 PolarHBondContact O-N 3.45Å; V393-T396 VanDerWaalsContact O-N 3.14Å; V393-T396 PolarHBondContact O-OG1 3.38Å; V393-T396 VanDerWaalsContact O-OG1 3.07Å; I394-T396 VanDerWaalsContact C-N 3.27Å; I394-T396 PolarHBondContact O-N 3.49Å
397	T	87.2	Confident	87.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.271	C	S	.	.			trans	-124.2	98.6	-166	-54	0	0	0	0	111.5	V393 A399 F400 S401 F438	V393-T397 WeakPolarHBondContact O-CB 3.47Å; V393-T397 PolarHBondContact O-N 2.95Å; T397-A399 PolarHBondContact O-N 3.48Å; T397-F400 HydrophobicContact CG2-CB 3.78Å; T397-F400 WeakPolarHBondContact O-CB 3.37Å; T397-F400 PolarHBondContact O-N 2.8Å; T397-F400 VanDerWaalsContact O-N 3.09Å; T397-S401 PolarHBondContact O-N 3.43Å; T397-F438 HydrophobicContact CG2-CB 4.1Å; T397-F438 HydrophobicContact CG2-CD1 4.14Å; T397-F438 HydrophobicContact CG2-CG 4.5Å
398	E	80.7	Confident	87.1	Confident	136 Å²	136	41.7 Å²	41.7	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-56.1	-49.1	-178.4	-173.8	175.2	-169.9	0	0	112.5	F400 S401	E398-F400 PolarHBondContact O-N 2.85Å; E398-F400 VanDerWaalsContact O-N 3.11Å; E398-S401 WeakPolarHBondContact O-CB 3.37Å; E398-S401 PolarHBondContact O-N 3.38Å; E398-S401 PolarHBondContact O-OG 3.46Å
399	A	78.9	Confident	87.1	Confident	7 Å²	7	43.3 Å²	43.3	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-27.2	178.5	0	0	0	0	0	113.9	T397 F403 G469	T397-A399 PolarHBondContact O-N 3.48Å; A399-F403 WeakPolarHBondContact O-CD2 3.13Å; A399-F403 WeakPolarHBondContact O-CE2 3.47Å; A399-G469 WeakPolarHBondContact CB-O 3.48Å; A399-G469 PolarHBondContact N-O 3.33Å
400	F	85.8	Confident	86.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-75.3	-34	176.5	175.3	-94.4	0	0	0	111.6	T390 V393 I394 T397 E398 E402 F403 Q408 I411 I412 F438	T390-F400 HydrophobicContact CG2-CE1 4.25Å; T390-F400 HydrophobicContact CG2-CZ 4.47Å; V393-F400 HydrophobicContact CB-CD1 4.18Å; V393-F400 HydrophobicContact CB-CE1 4.21Å; V393-F400 HydrophobicContact CG1-CB 4.08Å; V393-F400 HydrophobicContact CG1-CD1 3.53Å; V393-F400 HydrophobicContact CG1-CD2 4.1Å; V393-F400 HydrophobicContact CG1-CE1 3.95Å; V393-F400 HydrophobicContact CG1-CE2 4.47Å; V393-F400 HydrophobicContact CG1-CG 3.62Å; V393-F400 HydrophobicContact CG1-CZ 4.41Å; I394-F400 HydrophobicContact CG1-CD1 3.86Å; I394-F400 HydrophobicContact CG1-CE1 3.72Å; T397-F400 HydrophobicContact CG2-CB 3.78Å; T397-F400 WeakPolarHBondContact O-CB 3.37Å; T397-F400 PolarHBondContact O-N 2.8Å; T397-F400 VanDerWaalsContact O-N 3.09Å; E398-F400 PolarHBondContact O-N 2.85Å; E398-F400 VanDerWaalsContact O-N 3.11Å; F400-E402 PolarHBondContact O-N 3.48Å; F400-F403 WeakPolarHBondContact O-CD2 3.44Å; F400-F403 PolarHBondContact O-N 3.05Å; F400-Q408 HydrophobicContact CE1-CB 3.97Å; F400-Q408 HydrophobicContact CE1-CG 4.01Å; F400-Q408 HydrophobicContact CE2-CB 4.29Å; F400-Q408 HydrophobicContact CE2-CG 4.5Å; F400-Q408 HydrophobicContact CZ-CB 3.57Å; F400-Q408 HydrophobicContact CZ-CG 3.95Å; F400-Q408 WeakPolarHBondContact CZ-O 3.44Å; F400-I411 HydrophobicContact CD2-CD1 4.19Å; F400-I411 HydrophobicContact CD2-CG2 4.13Å; F400-I411 HydrophobicContact CE2-CB 3.84Å; F400-I411 HydrophobicContact CE2-CD1 3.91Å; F400-I411 HydrophobicContact CE2-CG1 4.49Å; F400-I411 HydrophobicContact CE2-CG2 3.6Å; F400-I412 HydrophobicContact CE1-CG1 4.31Å; F400-I412 HydrophobicContact CE2-CD1 4.05Å; F400-I412 HydrophobicContact CE2-CG1 3.89Å; F400-I412 HydrophobicContact CZ-CD1 3.82Å; F400-I412 HydrophobicContact CZ-CG1 3.41Å; F400-I412 VanDerWaalsContact CZ-CG1 3.41Å; F400-F438 HydrophobicContact CB-CD1 4.44Å; F400-F438 HydrophobicContact CB-CE1 4.4Å; F400-F438 HydrophobicContact CD2-CZ 4.45Å
401	S	83.5	Confident	86.9	Confident	50 Å²	50	44.7 Å²	44.7	35%	0.35	26%	0.261	S	S	.	.	H	α-helix	trans	-68.9	-18.6	-179.7	73.2	0	0	0	0	113.8	T397 E398 F403 Q408	T397-S401 PolarHBondContact O-N 3.43Å; E398-S401 WeakPolarHBondContact O-CB 3.37Å; E398-S401 PolarHBondContact O-N 3.38Å; E398-S401 PolarHBondContact O-OG 3.46Å; S401-F403 VanDerWaalsContact C-N 3.32Å; S401-F403 PolarHBondContact O-N 2.87Å; S401-Q408 PolarHBondContact O-NE2 3.45Å
402	E	80.5	Confident	87	Confident	56 Å²	56	40.9 Å²	40.9	26%	0.262	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-19.4	179.5	-62.3	-173.6	150.5	0	0	113.6	F400 F548 R551	F400-E402 PolarHBondContact O-N 3.48Å; E402-F548 HydrophobicContact CB-CZ 4.17Å; E402-R551 VanDerWaalsContact OE1-CD 3.27Å; E402-R551 WeakPolarHBondContact OE1-CD 3.33Å; E402-R551 IonicContact OE1-NE 2.74Å; E402-R551 PolarHBondContact OE1-NE 3.25Å
403	F	82.8	Confident	87.2	Confident	10 Å²	10	40.8 Å²	40.8	4%	0.044	24%	0.239	C	C	.	.	S	Bend	trans	-79.1	151.1	-178.5	-61.6	-66.9	0	0	0	112.5	A399 F400 S401 M407 Q408 I411 F438 F507 F548	A399-F403 WeakPolarHBondContact O-CD2 3.13Å; A399-F403 WeakPolarHBondContact O-CE2 3.47Å; F400-F403 WeakPolarHBondContact O-CD2 3.44Å; F400-F403 PolarHBondContact O-N 3.05Å; S401-F403 VanDerWaalsContact C-N 3.32Å; S401-F403 PolarHBondContact O-N 2.87Å; F403-M407 HydrophobicContact CB-CB 4.14Å; F403-M407 HydrophobicContact CD1-CE 4.09Å; F403-Q408 HydrophobicContact CB-CG 4.07Å; F403-Q408 WeakPolarHBondContact O-CG 3.26Å; F403-Q408 PolarHBondContact O-NE2 3.1Å; F403-I411 HydrophobicContact CD2-CD1 3.98Å; F403-I411 HydrophobicContact CE2-CD1 4.47Å; F403-I411 HydrophobicContact CG-CD1 4.35Å; F403-F438 AromaticContact CE2-CE1 3.77Å; F403-F438 HydrophobicContact CE2-CE1 3.77Å; F403-F438 AromaticContact CE2-CZ 3.76Å; F403-F438 HydrophobicContact CE2-CZ 3.76Å; F403-F438 HydrophobicContact CZ-CE1 4.5Å; F403-F438 HydrophobicContact CZ-CZ 4.46Å; F403-F507 AromaticContact CD1-CE1 3.95Å; F403-F507 HydrophobicContact CD1-CE1 3.95Å; F403-F507 HydrophobicContact CE1-CD1 4.2Å; F403-F507 AromaticContact CE1-CE1 3.48Å; F403-F507 HydrophobicContact CE1-CE1 3.48Å; F403-F507 VanDerWaalsContact CE1-CE1 3.48Å; F403-F507 HydrophobicContact CE1-CZ 4.45Å; F403-F507 HydrophobicContact CE2-CE1 4.28Å; F403-F507 AromaticContact CZ-CE1 3.67Å; F403-F507 HydrophobicContact CZ-CE1 3.67Å; F403-F507 HydrophobicContact CZ-CZ 4.27Å; F403-F548 HydrophobicContact CD1-CD1 4.15Å; F403-F548 HydrophobicContact CD1-CE1 4.37Å; F403-F548 HydrophobicContact CE1-CB 4.33Å; F403-F548 AromaticContact CE1-CD1 3.3Å; F403-F548 HydrophobicContact CE1-CD1 3.3Å; F403-F548 AromaticContact CE1-CE1 3.71Å; F403-F548 HydrophobicContact CE1-CE1 3.71Å; F403-F548 AromaticContact CE1-CG 3.95Å; F403-F548 HydrophobicContact CE1-CG 3.95Å; F403-F548 AromaticContact CZ-CD1 3.92Å; F403-F548 HydrophobicContact CZ-CD1 3.92Å; F403-F548 HydrophobicContact CZ-CE1 4.12Å
404	P	82	Confident	87.4	Confident	68 Å²	68	45.7 Å²	45.7	44%	0.442	26%	0.26	S	S	.	.			trans	-53.1	146.4	169	-26.3	33.9	0	0	0	112.8	A406 M407 Q408	P404-A406 PolarHBondContact O-N 3.31Å; P404-A406 VanDerWaalsContact O-N 3.09Å; P404-M407 HydrophobicContact CG-SD 4.14Å; P404-M407 WeakPolarHBondContact O-CA 3.38Å; P404-M407 WeakPolarHBondContact O-CB 3.42Å; P404-M407 PolarHBondContact O-N 3.04Å; P404-Q408 PolarHBondContact O-N 3.23Å
405	I	86.1	Confident	87.7	Confident	121 Å²	121	42.6 Å²	42.6	62%	0.621	24%	0.244	S	C	*	.	H	α-helix	trans	-54.1	-36.6	-176.4	-63.8	158.9	0	0	0	112.2	Q408 K409	I405-Q408 PolarHBondContact O-N 2.9Å; I405-K409 HydrophobicContact CG2-CD 4.47Å; I405-K409 WeakPolarHBondContact O-CG 3.5Å; I405-K409 PolarHBondContact O-N 2.93Å
406	A	84.9	Confident	88.3	Confident	77 Å²	77	43.4 Å²	43.4	64%	0.636	24%	0.236	S	C	*	.	H	α-helix	trans	-62.1	-44.6	176.3	0	0	0	0	0	112	P404 K409 A410	P404-A406 PolarHBondContact O-N 3.31Å; P404-A406 VanDerWaalsContact O-N 3.09Å; A406-K409 PolarHBondContact O-N 2.86Å; A406-A410 WeakPolarHBondContact O-CB 3.35Å; A406-A410 PolarHBondContact O-N 2.8Å
407	M	87.6	Confident	88.8	Confident	38 Å²	38	44.2 Å²	44.2	19%	0.187	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-43.1	175.4	-68.5	179.9	70.9	0	0	111.2	F403 P404 K409 A410 I411 I506 F507	F403-M407 HydrophobicContact CB-CB 4.14Å; F403-M407 HydrophobicContact CD1-CE 4.09Å; P404-M407 HydrophobicContact CG-SD 4.14Å; P404-M407 WeakPolarHBondContact O-CA 3.38Å; P404-M407 WeakPolarHBondContact O-CB 3.42Å; P404-M407 PolarHBondContact O-N 3.04Å; M407-K409 VanDerWaalsContact C-N 3.3Å; M407-K409 PolarHBondContact O-N 2.89Å; M407-A410 PolarHBondContact O-N 3.27Å; M407-A410 VanDerWaalsContact O-N 3.12Å; M407-I411 WeakPolarHBondContact O-CB 3.28Å; M407-I411 WeakPolarHBondContact O-CD1 2.99Å; M407-I411 WeakPolarHBondContact O-CG1 3.38Å; M407-I411 PolarHBondContact O-N 3.29Å; M407-I506 HydrophobicContact CB-CG2 4.42Å; M407-I506 HydrophobicContact CE-CG2 4.14Å; M407-I506 HydrophobicContact CG-CG2 4.48Å; M407-F507 HydrophobicContact CE-CD1 3.41Å; M407-F507 VanDerWaalsContact CE-CD1 3.41Å; M407-F507 HydrophobicContact CE-CE1 3.62Å; M407-F507 HydrophobicContact CE-CG 4.23Å
408	Q	91.2	Very high	89.3	Confident	16 Å²	16	46.4 Å²	46.4	8%	0.075	25%	0.248	C	C	.	.	H	α-helix	trans	-54.8	-46.8	175.7	-67	178.2	8.3	0	0	111.5	T390 F400 S401 F403 P404 I405 I411 I412	T390-Q408 HydrophobicContact CG2-CB 4.33Å; F400-Q408 HydrophobicContact CE1-CB 3.97Å; F400-Q408 HydrophobicContact CE1-CG 4.01Å; F400-Q408 HydrophobicContact CE2-CB 4.29Å; F400-Q408 HydrophobicContact CE2-CG 4.5Å; F400-Q408 HydrophobicContact CZ-CB 3.57Å; F400-Q408 HydrophobicContact CZ-CG 3.95Å; F400-Q408 WeakPolarHBondContact CZ-O 3.44Å; S401-Q408 PolarHBondContact O-NE2 3.45Å; F403-Q408 HydrophobicContact CB-CG 4.07Å; F403-Q408 WeakPolarHBondContact O-CG 3.26Å; F403-Q408 PolarHBondContact O-NE2 3.1Å; P404-Q408 PolarHBondContact O-N 3.23Å; I405-Q408 PolarHBondContact O-N 2.9Å; Q408-I411 PolarHBondContact O-N 2.7Å; Q408-I412 VanDerWaalsContact O-CG1 3.31Å; Q408-I412 WeakPolarHBondContact O-CG1 3.36Å; Q408-I412 PolarHBondContact O-N 2.86Å
409	K	92.7	Very high	90	Very high	92 Å²	92	45.9 Å²	45.9	40%	0.4	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-44	175.5	-73.7	-177.6	177.6	-170.3	0	112.1	I405 A406 M407 I412 G413	I405-K409 HydrophobicContact CG2-CD 4.47Å; I405-K409 WeakPolarHBondContact O-CG 3.5Å; I405-K409 PolarHBondContact O-N 2.93Å; A406-K409 PolarHBondContact O-N 2.86Å; M407-K409 VanDerWaalsContact C-N 3.3Å; M407-K409 PolarHBondContact O-N 2.89Å; K409-I412 PolarHBondContact O-N 2.79Å; K409-G413 PolarHBondContact O-N 2.9Å
410	A	92.2	Very high	90.9	Very high	39 Å²	39	48.1 Å²	48.1	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-43.6	178.3	0	0	0	0	0	112.1	A406 M407 G413 K414 I506	A406-A410 WeakPolarHBondContact O-CB 3.35Å; A406-A410 PolarHBondContact O-N 2.8Å; M407-A410 PolarHBondContact O-N 3.27Å; M407-A410 VanDerWaalsContact O-N 3.12Å; A410-G413 PolarHBondContact O-N 2.9Å; A410-K414 WeakPolarHBondContact O-CG 3.41Å; A410-K414 PolarHBondContact O-N 3.24Å; A410-I506 HydrophobicContact CB-CD1 3.99Å; A410-I506 HydrophobicContact CB-CG1 4Å; A410-I506 HydrophobicContact CB-CG2 4.35Å
411	I	93.6	Very high	91.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-53.9	175.3	-66.7	160.1	0	0	0	109.6	F400 F403 M407 Q408 G413 K414 A415 F438 L496 M498 I506 F507	F400-I411 HydrophobicContact CD2-CD1 4.19Å; F400-I411 HydrophobicContact CD2-CG2 4.13Å; F400-I411 HydrophobicContact CE2-CB 3.84Å; F400-I411 HydrophobicContact CE2-CD1 3.91Å; F400-I411 HydrophobicContact CE2-CG1 4.49Å; F400-I411 HydrophobicContact CE2-CG2 3.6Å; F403-I411 HydrophobicContact CD2-CD1 3.98Å; F403-I411 HydrophobicContact CE2-CD1 4.47Å; F403-I411 HydrophobicContact CG-CD1 4.35Å; M407-I411 WeakPolarHBondContact O-CB 3.28Å; M407-I411 WeakPolarHBondContact O-CD1 2.99Å; M407-I411 WeakPolarHBondContact O-CG1 3.38Å; M407-I411 PolarHBondContact O-N 3.29Å; Q408-I411 PolarHBondContact O-N 2.7Å; I411-G413 VanDerWaalsContact C-N 3.26Å; I411-G413 PolarHBondContact O-N 3.48Å; I411-K414 PolarHBondContact O-N 3.31Å; I411-A415 HydrophobicContact CG2-CB 4.22Å; I411-A415 WeakPolarHBondContact O-CB 3.31Å; I411-A415 PolarHBondContact O-N 2.91Å; I411-F438 HydrophobicContact CG2-CE2 4.18Å; I411-L496 HydrophobicContact CG2-CD2 4.15Å; I411-M498 HydrophobicContact CB-CE 3.74Å; I411-M498 HydrophobicContact CG1-CE 3.57Å; I411-M498 HydrophobicContact CG2-CE 3.56Å; I411-I506 HydrophobicContact CG1-CD1 4.47Å; I411-I506 HydrophobicContact CG1-CG2 4.08Å; I411-F507 HydrophobicContact CD1-CE1 4.33Å; I411-F507 HydrophobicContact CD1-CZ 3.71Å; I411-F507 HydrophobicContact CG1-CE2 4.38Å; I411-F507 HydrophobicContact CG1-CZ 4.02Å
412	I	95.3	Very high	92.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-27.9	-177.8	-64.4	-68.8	0	0	0	112.1	L374 R381 I386 A389 V393 F400 Q408 K409 K414 L496	L374-I412 HydrophobicContact CD2-CD1 4.28Å; L374-I412 HydrophobicContact CD2-CG2 4.31Å; R381-I412 PolarHBondContact NH1-O 2.85Å; I386-I412 HydrophobicContact CG2-CB 4.37Å; I386-I412 HydrophobicContact CG2-CG2 4.06Å; A389-I412 HydrophobicContact CB-CG2 3.72Å; V393-I412 HydrophobicContact CB-CD1 3.95Å; V393-I412 HydrophobicContact CG1-CD1 4.2Å; V393-I412 HydrophobicContact CG2-CD1 3.63Å; F400-I412 HydrophobicContact CE1-CG1 4.31Å; F400-I412 HydrophobicContact CE2-CD1 4.05Å; F400-I412 HydrophobicContact CE2-CG1 3.89Å; F400-I412 HydrophobicContact CZ-CD1 3.82Å; F400-I412 HydrophobicContact CZ-CG1 3.41Å; F400-I412 VanDerWaalsContact CZ-CG1 3.41Å; Q408-I412 VanDerWaalsContact O-CG1 3.31Å; Q408-I412 WeakPolarHBondContact O-CG1 3.36Å; Q408-I412 PolarHBondContact O-N 2.86Å; K409-I412 PolarHBondContact O-N 2.79Å; I412-K414 PolarHBondContact O-N 2.79Å; I412-L496 HydrophobicContact CD1-CD2 3.98Å
413	G	95.4	Very high	92.8	Very high	11 Å²	11	63 Å²	63	11%	0.113	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-26.2	172.9	0	0	0	0	0	113.3	S378 K409 A410 I411	S378-G413 VanDerWaalsContact CB-O 3.26Å; S378-G413 WeakPolarHBondContact CB-O 3.18Å; S378-G413 PolarHBondContact OG-O 3.28Å; K409-G413 PolarHBondContact O-N 2.9Å; A410-G413 PolarHBondContact O-N 2.9Å; I411-G413 VanDerWaalsContact C-N 3.26Å; I411-G413 PolarHBondContact O-N 3.48Å
414	K	94.7	Very high	93.5	Very high	103 Å²	103	69.2 Å²	69.2	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-118.7	-31.7	-170.3	-63.3	-62.8	177.2	-173.1	0	115.4	A410 I411 I412 E502	A410-K414 WeakPolarHBondContact O-CG 3.41Å; A410-K414 PolarHBondContact O-N 3.24Å; I411-K414 PolarHBondContact O-N 3.31Å; I412-K414 PolarHBondContact O-N 2.79Å; K414-E502 HydrophobicContact CB-CB 4.4Å; K414-E502 HydrophobicContact CB-CG 3.95Å; K414-E502 HydrophobicContact CD-CG 4.42Å; K414-E502 HydrophobicContact CG-CG 4.23Å
415	A	96.3	Very high	94.2	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	33%	0.331	C	S	.	.			trans	-72.7	158.4	-178.7	0	0	0	0	0	112.4	R381 I411 L496 V497 M498	R381-A415 VanDerWaalsContact CZ-O 3.3Å; R381-A415 PolarHBondContact NH1-O 2.8Å; R381-A415 PolarHBondContact NH2-O 3.28Å; I411-A415 HydrophobicContact CG2-CB 4.22Å; I411-A415 WeakPolarHBondContact O-CB 3.31Å; I411-A415 PolarHBondContact O-N 2.91Å; A415-L496 HydrophobicContact CB-CD1 3.59Å; A415-L496 HydrophobicContact CB-CD2 4.22Å; A415-L496 HydrophobicContact CB-CG 3.73Å; A415-V497 CarbonylContact C-O 3.55Å; A415-V497 WeakPolarHBondContact CA-O 3.13Å; A415-V497 WeakPolarHBondContact CB-O 3.35Å; A415-M498 HydrophobicContact CB-CB 4.43Å
416	W	97.1	Very high	94.7	Very high	69 Å²	69	64.8 Å²	64.8	26%	0.261	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	161.4	177.6	67.8	95.3	0	0	0	112.2	L374 E418 V497	L374-W416 VanDerWaalsContact O-CA 3.26Å; L374-W416 WeakPolarHBondContact O-CA 3.12Å; L374-W416 WeakPolarHBondContact O-CB 3.41Å; W416-E418 PolarHBondContact NE1-OE1 2.84Å; W416-V497 HydrophobicContact CD2-CB 4.1Å; W416-V497 VanDerWaalsContact CE3-O 3.32Å; W416-V497 HydrophobicContact CH2-CB 4.41Å; W416-V497 HydrophobicContact CH2-CG1 3.84Å; W416-V497 HydrophobicContact CZ2-CB 3.84Å; W416-V497 HydrophobicContact CZ2-CG1 3.38Å; W416-V497 PolarHBondContact N-O 2.7Å; W416-V497 PolarHBondContact O-N 3.48Å
417	Y	97.1	Very high	95.3	Very high	35 Å²	35	61.4 Å²	61.4	14%	0.137	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	135.3	-179.3	171.5	-90.6	0	0	0	111.7	L366 V371 L374 K419 I440 E494 L495	L366-Y417 HydrophobicContact CD1-CD2 3.93Å; L366-Y417 HydrophobicContact CD1-CE2 4.2Å; V371-Y417 HydrophobicContact CG1-CD1 3.81Å; V371-Y417 HydrophobicContact CG1-CE1 3.78Å; V371-Y417 HydrophobicContact CG1-CG 4.21Å; V371-Y417 HydrophobicContact CG2-CD2 4.44Å; V371-Y417 HydrophobicContact CG2-CE2 4.18Å; L374-Y417 PolarHBondContact O-N 3.16Å; Y417-K419 HydrophobicContact CE1-CB 4.14Å; Y417-I440 HydrophobicContact CD2-CD1 4.02Å; Y417-I440 HydrophobicContact CE2-CD1 4.32Å; Y417-E494 HydrophobicContact CE2-CB 3.9Å; Y417-E494 HydrophobicContact CE2-CG 4.17Å; Y417-E494 VanDerWaalsContact OH-CG 3.31Å; Y417-E494 WeakPolarHBondContact OH-CG 3.29Å; Y417-E494 PolarHBondContact OH-OE1 3.42Å; Y417-L495 WeakPolarHBondContact CA-O 3.32Å
418	E	96.7	Very high	95.7	Very high	46 Å²	46	66.7 Å²	66.7	22%	0.215	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.9	170.3	-68.3	-173.6	171.5	0	0	111.4	W416 Y420 L495 V497	W416-E418 PolarHBondContact NE1-OE1 2.84Å; E418-Y420 HydrophobicContact CB-CE2 3.91Å; E418-Y420 WeakPolarHBondContact OE2-CE2 3.2Å; E418-Y420 VanDerWaalsContact OE2-CZ 3.24Å; E418-Y420 PolarHBondContact OE2-OH 3.49Å; E418-L495 PolarHBondContact N-O 2.96Å; E418-L495 PolarHBondContact O-N 2.85Å; E418-V497 HydrophobicContact CB-CG2 3.87Å; E418-V497 HydrophobicContact CG-CG2 3.75Å
419	K	96.3	Very high	95.9	Very high	126 Å²	126	68.9 Å²	68.9	55%	0.548	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.8	176.6	-176.1	169	-173.9	151.8	0	110.4	Y417 V493 E494	Y417-K419 HydrophobicContact CE1-CB 4.14Å; K419-V493 WeakPolarHBondContact CA-O 3.41Å; K419-E494 HydrophobicContact CB-CG 4.46Å; K419-E494 HydrophobicContact CD-CG 4.03Å; K419-E494 WeakPolarHBondContact CE-OE1 3.11Å; K419-E494 HydrophobicContact CG-CG 4.01Å; K419-E494 IonicContact NZ-OE1 2.8Å; K419-E494 PolarHBondContact NZ-OE1 3.27Å
420	Y	97.6	Very high	96	Very high	53 Å²	53	66.3 Å²	66.3	21%	0.208	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.5	-178.6	-67	-70	0	0	0	111.2	E418 R424 I426 P492 V493 L495	E418-Y420 HydrophobicContact CB-CE2 3.91Å; E418-Y420 WeakPolarHBondContact OE2-CE2 3.2Å; E418-Y420 VanDerWaalsContact OE2-CZ 3.24Å; E418-Y420 PolarHBondContact OE2-OH 3.49Å; Y420-R424 HydrophobicContact CD1-CG 3.79Å; Y420-R424 HydrophobicContact CE1-CG 4.49Å; Y420-R424 HydrophobicContact CG-CG 4.37Å; Y420-I426 HydrophobicContact CD2-CD1 4.28Å; Y420-I426 HydrophobicContact CD2-CG1 4.08Å; Y420-I426 HydrophobicContact CE2-CG1 4.36Å; Y420-I426 HydrophobicContact CG-CG1 4.36Å; Y420-P492 CarbonylContact O-C 3.57Å; Y420-P492 WeakPolarHBondContact O-CA 3.38Å; Y420-V493 PolarHBondContact N-O 2.95Å; Y420-V493 PolarHBondContact O-N 3.04Å; Y420-L495 HydrophobicContact CD2-CD1 3.74Å; Y420-L495 HydrophobicContact CD2-CG 4.4Å; Y420-L495 HydrophobicContact CE2-CD1 3.8Å
421	E	96.8	Very high	96.1	Very high	160 Å²	160	68.8 Å²	68.8	75%	0.748	31%	0.311	S	S	*	.			trans	-77	163.6	173.1	-61	-172.7	149.8	0	0	111.8	R424 C489	E421-R424 VanDerWaalsContact O-CB 3.29Å; E421-R424 WeakPolarHBondContact O-CB 3.47Å; E421-R424 PolarHBondContact O-N 2.89Å; E421-C489 WeakPolarHBondContact O-CB 3.21Å
422	A	96.6	Very high	96.2	Very high	38 Å²	38	73 Å²	73	31%	0.314	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	146.9	173.9	0	0	0	0	0	111.4	R424 T491	A422-R424 PolarHBondContact O-N 3.02Å; A422-T491 WeakPolarHBondContact CA-O 3.11Å
423	R	95.7	Very high	96.1	Very high	221 Å²	221	73.7 Å²	73.7	83%	0.834	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	2.9	-176.7	-52.2	173.9	-71.6	-169.8	-2	115.3	C489	R423-C489 VanDerWaalsContact CA-O 3.27Å; R423-C489 WeakPolarHBondContact CA-O 3.48Å; R423-C489 PolarHBondContact N-O 3.4Å
424	R	97.6	Very high	96	Very high	141 Å²	141	78.8 Å²	78.8	53%	0.532	37%	0.367	S	S	.	.			trans	-71	131.1	172.1	-172.2	62.4	169.1	97.2	-8.4	110.8	Y420 E421 A422 C489	Y420-R424 HydrophobicContact CD1-CG 3.79Å; Y420-R424 HydrophobicContact CE1-CG 4.49Å; Y420-R424 HydrophobicContact CG-CG 4.37Å; E421-R424 VanDerWaalsContact O-CB 3.29Å; E421-R424 WeakPolarHBondContact O-CB 3.47Å; E421-R424 PolarHBondContact O-N 2.89Å; A422-R424 PolarHBondContact O-N 3.02Å; R424-C489 HydrophobicContact CB-CB 4.47Å; R424-C489 PolarHBondContact O-N 3.29Å; R424-C489 PolarHBondContact O-SG 2.94Å
425	M	97.1	Very high	96.1	Very high	72 Å²	72	75.2 Å²	75.2	36%	0.355	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.5	169.4	-175.4	-171.5	-64.5	0	0	109.8	I427 R428 T486 I487 I488	M425-I427 WeakPolarHBondContact CG-O 3.45Å; M425-R428 HydrophobicContact SD-CB 3.69Å; M425-R428 HydrophobicContact SD-CG 3.86Å; M425-T486 HydrophobicContact CE-CG2 3.81Å; M425-T486 HydrophobicContact CG-CG2 3.89Å; M425-T486 HydrophobicContact SD-CG2 3.9Å; M425-I487 WeakPolarHBondContact CA-O 3.32Å; M425-I488 HydrophobicContact CB-CG1 4.47Å; M425-I488 HydrophobicContact CG-CG1 4.42Å
426	I	96.9	Very high	96	Very high	23 Å²	23	75.5 Å²	75.5	12%	0.118	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-39.2	179.7	-59.8	157.5	0	0	0	110.5	Y420 Y437 V444 F472 I487 C489 L495	Y420-I426 HydrophobicContact CD2-CD1 4.28Å; Y420-I426 HydrophobicContact CD2-CG1 4.08Å; Y420-I426 HydrophobicContact CE2-CG1 4.36Å; Y420-I426 HydrophobicContact CG-CG1 4.36Å; I426-Y437 HydrophobicContact CG2-CD1 4.31Å; I426-Y437 HydrophobicContact CG2-CE1 3.86Å; I426-Y437 HydrophobicContact CG2-CE2 4.22Å; I426-V444 HydrophobicContact CD1-CG1 4.15Å; I426-F472 HydrophobicContact CD1-CZ 3.96Å; I426-F472 HydrophobicContact CG2-CE2 4.07Å; I426-F472 HydrophobicContact CG2-CZ 4.19Å; I426-I487 HydrophobicContact CD1-CG2 4.49Å; I426-I487 PolarHBondContact N-O 2.92Å; I426-C489 WeakPolarHBondContact CD1-SG 3.28Å; I426-L495 HydrophobicContact CD1-CD1 3.76Å; I426-L495 HydrophobicContact CG1-CD1 4.47Å; I426-L495 HydrophobicContact CG2-CD1 4.31Å
427	I	96.9	Very high	95.9	Very high	6 Å²	6	72.9 Å²	72.9	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.6	179.2	-64.6	179.2	0	0	0	108.2	M425 Y437 F472 R483 A485 T486 I487	M425-I427 WeakPolarHBondContact CG-O 3.45Å; I427-Y437 HydrophobicContact CD1-CD2 4.13Å; I427-Y437 HydrophobicContact CD1-CE2 3.84Å; I427-Y437 HydrophobicContact CG1-CE2 4.05Å; I427-F472 HydrophobicContact CD1-CD2 3.69Å; I427-F472 HydrophobicContact CD1-CE2 3.78Å; I427-F472 HydrophobicContact CG1-CE2 4.3Å; I427-R483 HydrophobicContact CG2-CB 3.86Å; I427-R483 VanDerWaalsContact CG2-CD 3.49Å; I427-R483 HydrophobicContact CG2-CG 3.55Å; I427-A485 WeakPolarHBondContact CG2-O 3.05Å; I427-T486 CarbonylContact O-C 3.56Å; I427-T486 VanDerWaalsContact O-CA 3.26Å; I427-T486 WeakPolarHBondContact O-CA 3.4Å; I427-T486 VanDerWaalsContact O-CG2 3.3Å; I427-T486 WeakPolarHBondContact O-CG2 3.47Å; I427-I487 HydrophobicContact CB-CB 3.98Å; I427-I487 HydrophobicContact CB-CG1 3.86Å; I427-I487 HydrophobicContact CD1-CG1 3.97Å; I427-I487 HydrophobicContact CG1-CB 4.44Å; I427-I487 HydrophobicContact CG1-CG1 4.26Å; I427-I487 HydrophobicContact CG2-CG1 4.49Å; I427-I487 PolarHBondContact N-O 3.4Å; I427-I487 PolarHBondContact O-N 3.41Å
428	R	96.3	Very high	95.7	Very high	150 Å²	150	71.2 Å²	71.2	57%	0.566	34%	0.338	S	S	*	.			trans	-109.7	133.7	169	-167.1	-179.7	177.2	-149.2	-1	110.4	M425 Q431 R483	M425-R428 HydrophobicContact SD-CB 3.69Å; M425-R428 HydrophobicContact SD-CG 3.86Å; R428-Q431 HydrophobicContact CB-CG 4.05Å; R428-Q431 WeakPolarHBondContact O-CB 3.42Å; R428-Q431 PolarHBondContact O-N 2.77Å; R428-R483 WeakPolarHBondContact O-CB 3.42Å
429	Q	95.4	Very high	95.6	Very high	62 Å²	62	69 Å²	69	29%	0.29	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	140.8	171.6	-178.3	-178.8	-12.3	0	0	111.1	Q431 S449 R483 A485 T486	Q429-Q431 VanDerWaalsContact C-N 3.3Å; Q429-Q431 PolarHBondContact O-N 2.88Å; Q429-S449 PolarHBondContact NE2-O 2.91Å; Q429-R483 WeakPolarHBondContact CA-O 3.46Å; Q429-A485 PolarHBondContact N-O 3.45Å; Q429-T486 WeakPolarHBondContact CB-OG1 3.33Å; Q429-T486 PolarHBondContact N-OG1 3.41Å
430	G	94.3	Very high	95.4	Very high	37 Å²	37	63.1 Å²	63.1	38%	0.381	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-6.4	178.9	0	0	0	0	0	115.5	K482 R483	G430-K482 VanDerWaalsContact O-CD 3.24Å; G430-K482 WeakPolarHBondContact O-CD 3.44Å; G430-K482 WeakPolarHBondContact O-CG 3.38Å; G430-R483 PolarHBondContact N-O 3.27Å
431	Q	95.3	Very high	95.2	Very high	91 Å²	91	60.8 Å²	60.8	43%	0.425	29%	0.293	S	S	.	.	S	Bend	trans	-80.3	158.4	174.9	-72	-171.6	-40.6	0	0	112.4	R428 Q429 K482 R483	R428-Q431 HydrophobicContact CB-CG 4.05Å; R428-Q431 WeakPolarHBondContact O-CB 3.42Å; R428-Q431 PolarHBondContact O-N 2.77Å; Q429-Q431 VanDerWaalsContact C-N 3.3Å; Q429-Q431 PolarHBondContact O-N 2.88Å; Q431-K482 CarbonylContact O-C 3.49Å; Q431-K482 WeakPolarHBondContact O-CA 3.22Å; Q431-R483 HydrophobicContact CB-CG 4.4Å; Q431-R483 VanDerWaalsContact O-CG 3.26Å; Q431-R483 WeakPolarHBondContact O-CG 3.47Å; Q431-R483 PolarHBondContact O-N 2.95Å
432	P	94.6	Very high	95	Very high	89 Å²	89	53.3 Å²	53.3	58%	0.578	26%	0.259	S	S	*	.			trans	-66.8	147.3	169.6	27.8	-34.5	0	0	0	111.6	L434	P432-L434 PolarHBondContact O-N 3.27Å
433	P	92.9	Very high	94.8	Very high	15 Å²	15	52.5 Å²	52.5	10%	0.097	25%	0.251	C	S	.	.			trans	-81.3	111.9	179.4	33.3	-35	0	0	0	111.7	A476 L477 G481 N500	P433-A476 HydrophobicContact CB-CB 3.74Å; P433-A476 HydrophobicContact CG-CB 3.96Å; P433-A476 WeakPolarHBondContact CG-O 3.49Å; P433-L477 HydrophobicContact CB-CD2 3.68Å; P433-L477 HydrophobicContact CB-CG 4.09Å; P433-L477 HydrophobicContact CG-CD2 4.11Å; P433-G481 WeakPolarHBondContact CD-O 3.45Å; P433-N500 PolarHBondContact O-ND2 3.41Å
434	L	93.9	Very high	94.8	Very high	117 Å²	117	42 Å²	42	61%	0.613	21%	0.211	S	C	*	.			trans	-93.4	-44.1	179.1	-59.8	179.3	0	0	0	113.2	P432 N500	P432-L434 PolarHBondContact O-N 3.27Å; L434-N500 VanDerWaalsContact O-CB 3.3Å; L434-N500 WeakPolarHBondContact O-CB 3.49Å; L434-N500 PolarHBondContact O-N 2.8Å
435	N	95.9	Very high	94.6	Very high	29 Å²	29	36.4 Å²	36.4	16%	0.155	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158	-171.9	-54.4	-37	0	0	0	112.4	Y437 R483 V497 M498 S499	N435-Y437 HydrophobicContact CB-CE1 4.17Å; N435-Y437 HydrophobicContact CB-CE2 3.92Å; N435-Y437 VanDerWaalsContact O-CE2 3.3Å; N435-Y437 WeakPolarHBondContact O-CE2 3.37Å; N435-R483 PolarHBondContact O-NH1 2.94Å; N435-R483 PolarHBondContact O-NH2 3.26Å; N435-V497 HydrophobicContact CB-CG1 3.65Å; N435-M498 CarbonylContact C-O 3.53Å; N435-M498 WeakPolarHBondContact CA-O 3.39Å; N435-M498 VanDerWaalsContact CB-O 3.3Å; N435-M498 WeakPolarHBondContact CB-O 3.35Å; N435-S499 WeakPolarHBondContact OD1-CA 3.33Å
436	F	94.3	Very high	94.5	Very high	6 Å²	6	34 Å²	34	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	149.1	166.9	171.1	-127.9	0	0	0	109.7	F438 S471 F472 E474 L477 V497 M498 F503 F507	F436-F438 HydrophobicContact CD1-CE2 4.02Å; F436-F438 HydrophobicContact CD1-CZ 4.36Å; F436-F438 HydrophobicContact CE1-CD2 4.1Å; F436-F438 AromaticContact CE1-CE1 3.98Å; F436-F438 HydrophobicContact CE1-CE1 3.98Å; F436-F438 AromaticContact CE1-CE2 3.37Å; F436-F438 HydrophobicContact CE1-CE2 3.37Å; F436-F438 AromaticContact CE1-CZ 3.31Å; F436-F438 HydrophobicContact CE1-CZ 3.31Å; F436-F438 HydrophobicContact CZ-CD1 4.45Å; F436-F438 AromaticContact CZ-CE1 3.92Å; F436-F438 HydrophobicContact CZ-CE1 3.92Å; F436-F438 HydrophobicContact CZ-CE2 4.08Å; F436-F438 AromaticContact CZ-CZ 3.74Å; F436-F438 HydrophobicContact CZ-CZ 3.74Å; F436-S471 WeakPolarHBondContact CE2-OG 3.18Å; F436-S471 WeakPolarHBondContact CZ-OG 3.19Å; F436-F472 VanDerWaalsContact CD2-O 3.26Å; F436-F472 WeakPolarHBondContact CD2-O 3.41Å; F436-E474 HydrophobicContact CD2-CB 3.86Å; F436-E474 HydrophobicContact CE2-CB 3.81Å; F436-L477 HydrophobicContact CB-CD1 3.67Å; F436-V497 WeakPolarHBondContact O-CA 3.07Å; F436-M498 PolarHBondContact N-O 3.33Å; F436-M498 PolarHBondContact O-N 3.32Å; F436-F503 HydrophobicContact CB-CD2 3.82Å; F436-F503 HydrophobicContact CB-CE2 4.32Å; F436-F503 AromaticContact CD1-CD2 3.67Å; F436-F503 HydrophobicContact CD1-CD2 3.67Å; F436-F503 AromaticContact CD1-CE2 3.87Å; F436-F503 HydrophobicContact CD1-CE2 3.87Å; F436-F503 HydrophobicContact CD2-CE2 4.47Å; F436-F503 HydrophobicContact CE1-CD2 4.4Å; F436-F503 HydrophobicContact CE1-CE2 4.24Å; F436-F503 AromaticContact CG-CD2 3.86Å; F436-F503 HydrophobicContact CG-CD2 3.86Å; F436-F503 AromaticContact CG-CE2 3.98Å; F436-F503 HydrophobicContact CG-CE2 3.98Å; F436-F507 HydrophobicContact CD1-CE2 4.33Å; F436-F507 HydrophobicContact CE1-CE2 4.26Å; F436-F507 HydrophobicContact CE1-CZ 4.16Å
437	Y	95.5	Very high	94.3	Very high	13 Å²	13	33 Å²	33	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.3	-169.3	-54.9	-92.8	0	0	0	112.1	I426 I427 N435 S471 F472 L495 L496 V497	I426-Y437 HydrophobicContact CG2-CD1 4.31Å; I426-Y437 HydrophobicContact CG2-CE1 3.86Å; I426-Y437 HydrophobicContact CG2-CE2 4.22Å; I427-Y437 HydrophobicContact CD1-CD2 4.13Å; I427-Y437 HydrophobicContact CD1-CE2 3.84Å; I427-Y437 HydrophobicContact CG1-CE2 4.05Å; N435-Y437 HydrophobicContact CB-CE1 4.17Å; N435-Y437 HydrophobicContact CB-CE2 3.92Å; N435-Y437 VanDerWaalsContact O-CE2 3.3Å; N435-Y437 WeakPolarHBondContact O-CE2 3.37Å; Y437-S471 CarbonylContact O-C 3.58Å; Y437-S471 WeakPolarHBondContact O-CA 3.09Å; Y437-S471 WeakPolarHBondContact O-CB 3.35Å; Y437-F472 VanDerWaalsContact CB-CZ 3.43Å; Y437-F472 HydrophobicContact CD1-CE2 4.46Å; Y437-F472 HydrophobicContact CD1-CZ 4.3Å; Y437-F472 AromaticContact CD2-CD2 3.89Å; Y437-F472 HydrophobicContact CD2-CD2 3.89Å; Y437-F472 AromaticContact CD2-CE2 3.4Å; Y437-F472 HydrophobicContact CD2-CE2 3.4Å; Y437-F472 AromaticContact CD2-CZ 3.98Å; Y437-F472 HydrophobicContact CD2-CZ 3.98Å; Y437-F472 HydrophobicContact CE2-CE2 4.12Å; Y437-F472 HydrophobicContact CG-CD2 4.32Å; Y437-F472 HydrophobicContact CG-CE1 4.43Å; Y437-F472 AromaticContact CG-CE2 3.61Å; Y437-F472 HydrophobicContact CG-CE2 3.61Å; Y437-F472 AromaticContact CG-CZ 3.66Å; Y437-F472 HydrophobicContact CG-CZ 3.66Å; Y437-F472 PolarHBondContact N-O 3.41Å; Y437-F472 PolarHBondContact O-N 2.64Å; Y437-L495 HydrophobicContact CD1-CB 4.48Å; Y437-L495 HydrophobicContact CD1-CD1 3.69Å; Y437-L495 HydrophobicContact CE1-CD1 4.37Å; Y437-L495 HydrophobicContact CG-CD1 4.33Å; Y437-L496 CarbonylContact C-O 3.57Å; Y437-L496 WeakPolarHBondContact CA-O 3.26Å; Y437-V497 HydrophobicContact CD1-CB 4.22Å; Y437-V497 HydrophobicContact CD1-CG1 3.81Å; Y437-V497 HydrophobicContact CD1-CG2 3.69Å; Y437-V497 HydrophobicContact CE1-CB 4.33Å; Y437-V497 HydrophobicContact CE1-CG1 3.55Å; Y437-V497 HydrophobicContact CE1-CG2 3.92Å
438	F	94.1	Very high	94.2	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	137.6	162.7	-61	-89.8	0	0	0	110.6	T397 F400 F403 I411 F436 I440 L495 L496	T397-F438 HydrophobicContact CG2-CB 4.1Å; T397-F438 HydrophobicContact CG2-CD1 4.14Å; T397-F438 HydrophobicContact CG2-CG 4.5Å; F400-F438 HydrophobicContact CB-CD1 4.44Å; F400-F438 HydrophobicContact CB-CE1 4.4Å; F400-F438 HydrophobicContact CD2-CZ 4.45Å; F403-F438 AromaticContact CE2-CE1 3.77Å; F403-F438 HydrophobicContact CE2-CE1 3.77Å; F403-F438 AromaticContact CE2-CZ 3.76Å; F403-F438 HydrophobicContact CE2-CZ 3.76Å; F403-F438 HydrophobicContact CZ-CE1 4.5Å; F403-F438 HydrophobicContact CZ-CZ 4.46Å; I411-F438 HydrophobicContact CG2-CE2 4.18Å; F436-F438 HydrophobicContact CD1-CE2 4.02Å; F436-F438 HydrophobicContact CD1-CZ 4.36Å; F436-F438 HydrophobicContact CE1-CD2 4.1Å; F436-F438 AromaticContact CE1-CE1 3.98Å; F436-F438 HydrophobicContact CE1-CE1 3.98Å; F436-F438 AromaticContact CE1-CE2 3.37Å; F436-F438 HydrophobicContact CE1-CE2 3.37Å; F436-F438 AromaticContact CE1-CZ 3.31Å; F436-F438 HydrophobicContact CE1-CZ 3.31Å; F436-F438 HydrophobicContact CZ-CD1 4.45Å; F436-F438 AromaticContact CZ-CE1 3.92Å; F436-F438 HydrophobicContact CZ-CE1 3.92Å; F436-F438 HydrophobicContact CZ-CE2 4.08Å; F436-F438 AromaticContact CZ-CZ 3.74Å; F436-F438 HydrophobicContact CZ-CZ 3.74Å; F438-I440 PolarHBondContact O-N 3.22Å; F438-L495 CarbonylContact O-C 3.54Å; F438-L495 WeakPolarHBondContact O-CA 3.32Å; F438-L495 WeakPolarHBondContact O-CD2 3.48Å; F438-L496 HydrophobicContact CB-CB 4.14Å; F438-L496 HydrophobicContact CD2-CB 4.38Å; F438-L496 HydrophobicContact CD2-CD2 4.06Å; F438-L496 HydrophobicContact CD2-CG 4.4Å; F438-L496 PolarHBondContact N-O 2.47Å; F438-L496 PolarHBondContact O-N 3.32Å
439	I	93.4	Very high	94	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	108.7	174.9	-50.8	171.9	0	0	0	108.2	V444 L466 G469 Q470 F472 V493 L495	I439-V444 HydrophobicContact CD1-CG2 3.83Å; I439-L466 HydrophobicContact CD1-CB 3.68Å; I439-G469 PolarHBondContact O-N 3.39Å; I439-Q470 WeakPolarHBondContact CB-O 3.39Å; I439-Q470 HydrophobicContact CD1-CB 4.47Å; I439-Q470 WeakPolarHBondContact CG1-O 3.46Å; I439-Q470 PolarHBondContact N-O 3.37Å; I439-F472 HydrophobicContact CD1-CD1 3.9Å; I439-F472 HydrophobicContact CD1-CE1 4.12Å; I439-F472 HydrophobicContact CG1-CD1 3.8Å; I439-F472 HydrophobicContact CG1-CE1 3.71Å; I439-V493 HydrophobicContact CG2-CG1 4.28Å; I439-L495 HydrophobicContact CB-CD2 4.4Å; I439-L495 HydrophobicContact CG1-CD2 4.06Å
440	I	93.3	Very high	93.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-49.5	173.6	-66.5	151.3	0	0	0	109.3	L366 Y417 F438 A468 E494 L495 L496	L366-I440 HydrophobicContact CD1-CD1 3.42Å; L366-I440 VanDerWaalsContact CD1-CD1 3.42Å; L366-I440 HydrophobicContact CD1-CG1 4.1Å; L366-I440 HydrophobicContact CD1-CG2 3.97Å; L366-I440 HydrophobicContact CG-CD1 4.32Å; L366-I440 HydrophobicContact CG-CG2 3.69Å; Y417-I440 HydrophobicContact CD2-CD1 4.02Å; Y417-I440 HydrophobicContact CE2-CD1 4.32Å; F438-I440 PolarHBondContact O-N 3.22Å; I440-A468 WeakPolarHBondContact O-CB 3.24Å; I440-E494 HydrophobicContact CB-CB 4.2Å; I440-E494 WeakPolarHBondContact CB-O 3.39Å; I440-E494 HydrophobicContact CG2-CB 4.47Å; I440-E494 PolarHBondContact N-O 3.33Å; I440-L495 VanDerWaalsContact CD1-C 3.49Å; I440-L496 HydrophobicContact CD1-CB 4.03Å; I440-L496 HydrophobicContact CG1-CB 4.44Å
441	S	91.8	Very high	93.4	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.028	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.9	-177.7	-174.4	0	0	0	0	110.8	E363 Y365 V493 E494	E363-S441 PolarHBondContact OE2-OG 2.77Å; Y365-S441 VanDerWaalsContact CE1-OG 3.29Å; Y365-S441 WeakPolarHBondContact CE1-OG 3.37Å; S441-V493 WeakPolarHBondContact O-CA 3.4Å; S441-E494 PolarHBondContact N-O 3.48Å; S441-E494 PolarHBondContact O-N 2.82Å
442	G	92.7	Very high	92.9	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	87.7	-165.5	-178	0	0	0	0	0	115.2	K467 A468 T491 P492	G442-K467 CarbonylContact O-C 3.55Å; G442-A468 PolarHBondContact O-N 3.33Å; G442-T491 VanDerWaalsContact CA-OG1 3.24Å; G442-T491 WeakPolarHBondContact CA-OG1 3.47Å; G442-P492 WeakPolarHBondContact CA-O 3.41Å
443	S	93.2	Very high	92.4	Very high	21 Å²	21	41.7 Å²	41.7	15%	0.147	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.6	-178.4	59.2	0	0	0	0	112.8	L466 K490 T491 V493	S443-L466 CarbonylContact C-O 3.6Å; S443-L466 VanDerWaalsContact CA-O 3.22Å; S443-L466 WeakPolarHBondContact CA-O 3.46Å; S443-L466 WeakPolarHBondContact CB-O 3.29Å; S443-K490 WeakPolarHBondContact O-CB 3.42Å; S443-K490 PolarHBondContact O-N 2.79Å; S443-T491 PolarHBondContact N-OG1 2.95Å; S443-T491 PolarHBondContact O-N 3.1Å; S443-T491 WeakPolarHBondContact OG-CG2 3.3Å; S443-T491 PolarHBondContact OG-OG1 2.98Å; S443-V493 VanDerWaalsContact O-CG2 3.31Å; S443-V493 WeakPolarHBondContact O-CG2 3.42Å
444	V	95.2	Very high	92	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.8	178.1	-57.1	0	0	0	0	110.8	I426 I439 L466 F472 I487 I488 V493	I426-V444 HydrophobicContact CD1-CG1 4.15Å; I439-V444 HydrophobicContact CD1-CG2 3.83Å; V444-L466 HydrophobicContact CG2-CB 3.67Å; V444-L466 HydrophobicContact CG2-CD1 4.2Å; V444-L466 HydrophobicContact CG2-CG 4.27Å; V444-L466 PolarHBondContact N-O 2.86Å; V444-L466 PolarHBondContact O-N 3.13Å; V444-F472 HydrophobicContact CG2-CD1 4.31Å; V444-F472 HydrophobicContact CG2-CE1 4.37Å; V444-I487 HydrophobicContact CB-CG2 3.8Å; V444-I487 HydrophobicContact CG1-CG2 4.2Å; V444-I487 HydrophobicContact CG2-CG2 3.85Å; V444-I488 CarbonylContact C-O 3.58Å; V444-I488 VanDerWaalsContact CA-O 3.28Å; V444-I488 WeakPolarHBondContact CA-O 3.45Å; V444-V493 HydrophobicContact CG1-CG1 4.23Å; V444-V493 HydrophobicContact CG1-CG2 3.86Å
445	V	94.5	Very high	91.7	Very high	25 Å²	25	47.9 Å²	47.9	15%	0.152	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.5	175.5	-170.1	0	0	0	0	108.7	T462 F465 I487 I488 K490	V445-T462 HydrophobicContact CG1-CG2 3.51Å; V445-F465 HydrophobicContact CB-CD1 4.43Å; V445-F465 HydrophobicContact CB-CE1 4.35Å; V445-F465 HydrophobicContact CG1-CD1 4.29Å; V445-F465 HydrophobicContact CG1-CE1 3.94Å; V445-F465 HydrophobicContact CG1-CZ 4.45Å; V445-F465 HydrophobicContact CG2-CD1 3.8Å; V445-F465 HydrophobicContact CG2-CE1 3.63Å; V445-I487 WeakPolarHBondContact O-CA 3.45Å; V445-I488 PolarHBondContact N-O 3.44Å; V445-I488 PolarHBondContact O-N 3Å; V445-K490 HydrophobicContact CG2-CB 3.96Å; V445-K490 HydrophobicContact CG2-CD 4.36Å; V445-K490 HydrophobicContact CG2-CG 4.44Å
446	V	94.2	Very high	91.2	Very high	20 Å²	20	48.8 Å²	48.8	12%	0.121	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116	172.3	-170.6	0	0	0	0	108.2	V463 A464 L466 A485 I487	V446-V463 PolarHBondContact O-N 3.3Å; V446-A464 HydrophobicContact CB-CB 4.09Å; V446-A464 HydrophobicContact CG2-CB 3.93Å; V446-A464 PolarHBondContact N-O 3.29Å; V446-A464 PolarHBondContact O-N 2.99Å; V446-L466 HydrophobicContact CG2-CD1 3.76Å; V446-L466 HydrophobicContact CG2-CG 3.83Å; V446-A485 HydrophobicContact CG1-CB 3.58Å; V446-I487 HydrophobicContact CB-CD1 4.01Å; V446-I487 HydrophobicContact CG1-CD1 3.84Å; V446-I487 HydrophobicContact CG2-CD1 3.62Å
447	S	92.9	Very high	90.9	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.028	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.6	176.1	64	0	0	0	0	112	E461 T486	S447-E461 CarbonylContact C-O 3.52Å; S447-E461 VanDerWaalsContact CA-O 3.24Å; S447-E461 WeakPolarHBondContact CA-O 3.24Å; S447-T486 PolarHBondContact N-O 3.34Å; S447-T486 PolarHBondContact O-N 3.34Å
448	V	93.7	Very high	90.6	Very high	22 Å²	22	58.8 Å²	58.8	13%	0.133	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.2	176.1	178.7	0	0	0	0	108.5	R450 E461 V463 A485	V448-R450 HydrophobicContact CG1-CG 3.93Å; V448-R450 PolarHBondContact O-N 3.3Å; V448-E461 PolarHBondContact N-O 2.98Å; V448-E461 PolarHBondContact O-N 2.72Å; V448-V463 HydrophobicContact CB-CG2 3.98Å; V448-V463 HydrophobicContact CG2-CG2 3.58Å; V448-A485 HydrophobicContact CG2-CB 3.71Å
449	S	92.3	Very high	90.4	Very high	49 Å²	49	63.7 Å²	63.7	34%	0.343	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.8	170.1	-172.3	0	0	0	0	109	Q429 Y459	Q429-S449 PolarHBondContact NE2-O 2.91Å; S449-Y459 WeakPolarHBondContact CA-O 3.43Å
450	R	90.1	Very high	90.2	Very high	111 Å²	111	69.7 Å²	69.7	42%	0.419	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	157.4	176.2	-62.9	-170.6	-171.4	-99.3	4.7	109.6	V448 P458 Y459 E461	V448-R450 HydrophobicContact CG1-CG 3.93Å; V448-R450 PolarHBondContact O-N 3.3Å; R450-P458 CarbonylContact O-C 3.55Å; R450-P458 VanDerWaalsContact O-CA 3.29Å; R450-P458 WeakPolarHBondContact O-CA 3.03Å; R450-Y459 HydrophobicContact CB-CD1 4.36Å; R450-Y459 HydrophobicContact CB-CE1 3.73Å; R450-Y459 HydrophobicContact CB-CE2 4.41Å; R450-Y459 PolarHBondContact N-O 3.09Å; R450-Y459 WeakPolarHBondContact O-CD1 3.38Å; R450-Y459 PolarHBondContact O-N 3.48Å; R450-E461 VanDerWaalsContact CD-OE2 3.28Å; R450-E461 WeakPolarHBondContact CD-OE2 3.18Å; R450-E461 IonicContact CZ-OE2 3.53Å; R450-E461 IonicContact NE-OE2 3.22Å; R450-E461 PolarHBondContact NE-OE2 3.46Å; R450-E461 IonicContact NH2-OE2 3.48Å
451	K	87.7	Confident	90.1	Very high	164 Å²	164	73.3 Å²	73.3	71%	0.713	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.8	170	-65.7	-175.6	179.7	-176.5	0	109.1	K453	K451-K453 PolarHBondContact O-N 3.49Å
452	N	84.6	Confident	90	Very high	58 Å²	58	76.8 Å²	76.8	31%	0.31	39%	0.392	S	S	.	.			trans	-63	126.9	173.6	-174.1	-19.8	0	0	0	109	Q454 T455 G456 E457 Y459	N452-Q454 PolarHBondContact O-N 3.24Å; N452-Q454 PolarHBondContact OD1-N 2.84Å; N452-T455 WeakPolarHBondContact CB-OG1 3.27Å; N452-T455 PolarHBondContact ND2-OG1 2.97Å; N452-G456 VanDerWaalsContact O-CA 3.27Å; N452-G456 WeakPolarHBondContact O-CA 3.34Å; N452-G456 PolarHBondContact O-N 2.95Å; N452-E457 PolarHBondContact N-O 2.74Å; N452-Y459 HydrophobicContact CB-CD1 4.07Å; N452-Y459 HydrophobicContact CB-CE1 4.25Å
453	K	84.5	Confident	89.7	Confident	212 Å²	212	80.3 Å²	80.3	92%	0.922	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.5	-180	-67	-175.8	179.1	-178.6	0	112.6	K451	K451-K453 PolarHBondContact O-N 3.49Å
454	Q	84.6	Confident	89.4	Confident	182 Å²	182	81 Å²	81	85%	0.85	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-45.4	-176	-61.9	-176.6	6.9	0	0	112.9	N452	N452-Q454 PolarHBondContact O-N 3.24Å; N452-Q454 PolarHBondContact OD1-N 2.84Å
455	T	86.4	Confident	89.2	Confident	81 Å²	81	86.4 Å²	86.4	50%	0.497	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-16.4	-175.2	63.9	0	0	0	0	113.7	N452 E457	N452-T455 WeakPolarHBondContact CB-OG1 3.27Å; N452-T455 PolarHBondContact ND2-OG1 2.97Å; T455-E457 PolarHBondContact O-N 2.84Å; T455-E457 PolarHBondContact OG1-N 3.18Å
456	G	86.4	Confident	89	Confident	47 Å²	47	86.5 Å²	86.5	49%	0.485	44%	0.443	S	S	.	.			trans	73.6	-7.9	-173.3	0	0	0	0	0	114.5	N452	N452-G456 VanDerWaalsContact O-CA 3.27Å; N452-G456 WeakPolarHBondContact O-CA 3.34Å; N452-G456 PolarHBondContact O-N 2.95Å
457	E	88	Confident	88.8	Confident	132 Å²	132	92.2 Å²	92.2	62%	0.617	47%	0.466	S	S	*	.			trans	-71.4	141.3	-178.1	-64.7	179.3	153.1	0	0	111.5	N452 T455	N452-E457 PolarHBondContact N-O 2.74Å; T455-E457 PolarHBondContact O-N 2.84Å; T455-E457 PolarHBondContact OG1-N 3.18Å
458	P	88.6	Confident	88.6	Confident	98 Å²	98	94 Å²	94	64%	0.636	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.6	173.5	30.4	-32.4	0	0	0	110.1	R450	R450-P458 CarbonylContact O-C 3.55Å; R450-P458 VanDerWaalsContact O-CA 3.29Å; R450-P458 WeakPolarHBondContact O-CA 3.03Å
459	Y	89.9	Confident	88.2	Confident	103 Å²	103	93.4 Å²	93.4	40%	0.404	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.5	168.5	72.7	-84.1	0	0	0	109.6	S449 R450 N452 E461	S449-Y459 WeakPolarHBondContact CA-O 3.43Å; R450-Y459 HydrophobicContact CB-CD1 4.36Å; R450-Y459 HydrophobicContact CB-CE1 3.73Å; R450-Y459 HydrophobicContact CB-CE2 4.41Å; R450-Y459 PolarHBondContact N-O 3.09Å; R450-Y459 WeakPolarHBondContact O-CD1 3.38Å; R450-Y459 PolarHBondContact O-N 3.48Å; N452-Y459 HydrophobicContact CB-CD1 4.07Å; N452-Y459 HydrophobicContact CB-CE1 4.25Å; Y459-E461 HydrophobicContact CD2-CB 4.43Å; Y459-E461 HydrophobicContact CE2-CB 3.96Å
460	E	90.3	Very high	88	Confident	127 Å²	127	94.1 Å²	94.1	59%	0.593	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.6	173.6	-68.1	-162.7	168.1	0	0	110.2
461	E	90.7	Very high	88	Confident	76 Å²	76	88.9 Å²	88.9	36%	0.355	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.8	173.9	-172.2	179.4	-168.5	0	0	109.3	S447 V448 R450 Y459 V463	S447-E461 CarbonylContact C-O 3.52Å; S447-E461 VanDerWaalsContact CA-O 3.24Å; S447-E461 WeakPolarHBondContact CA-O 3.24Å; V448-E461 PolarHBondContact N-O 2.98Å; V448-E461 PolarHBondContact O-N 2.72Å; R450-E461 VanDerWaalsContact CD-OE2 3.28Å; R450-E461 WeakPolarHBondContact CD-OE2 3.18Å; R450-E461 IonicContact CZ-OE2 3.53Å; R450-E461 IonicContact NE-OE2 3.22Å; R450-E461 PolarHBondContact NE-OE2 3.46Å; R450-E461 IonicContact NH2-OE2 3.48Å; Y459-E461 HydrophobicContact CD2-CB 4.43Å; Y459-E461 HydrophobicContact CE2-CB 3.96Å; E461-V463 PolarHBondContact O-N 3.49Å
462	T	89.7	Confident	88.3	Confident	78 Å²	78	81.3 Å²	81.3	48%	0.479	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	115.6	169.7	-63.4	0	0	0	0	108.8	V445 F465	V445-T462 HydrophobicContact CG1-CG2 3.51Å; T462-F465 HydrophobicContact CG2-CE1 4.45Å; T462-F465 HydrophobicContact CG2-CE2 3.85Å; T462-F465 HydrophobicContact CG2-CZ 3.81Å
463	V	85.9	Confident	88.6	Confident	77 Å²	77	79.1 Å²	79.1	47%	0.467	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-34.1	-174.6	-177.7	0	0	0	0	111.7	V446 V448 E461	V446-V463 PolarHBondContact O-N 3.3Å; V448-V463 HydrophobicContact CB-CG2 3.98Å; V448-V463 HydrophobicContact CG2-CG2 3.58Å; E461-V463 PolarHBondContact O-N 3.49Å
464	A	87.5	Confident	88.8	Confident	36 Å²	36	70 Å²	70	30%	0.298	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	158.3	-178.7	0	0	0	0	0	112.8	V446 L466	V446-A464 HydrophobicContact CB-CB 4.09Å; V446-A464 HydrophobicContact CG2-CB 3.93Å; V446-A464 PolarHBondContact N-O 3.29Å; V446-A464 PolarHBondContact O-N 2.99Å; A464-L466 HydrophobicContact CB-CD2 4.44Å
465	F	90	Very high	88.8	Confident	113 Å²	113	64.1 Å²	64.1	50%	0.496	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.8	165.3	-66.9	-85.5	0	0	0	108.6	V445 T462 K490	V445-F465 HydrophobicContact CB-CD1 4.43Å; V445-F465 HydrophobicContact CB-CE1 4.35Å; V445-F465 HydrophobicContact CG1-CD1 4.29Å; V445-F465 HydrophobicContact CG1-CE1 3.94Å; V445-F465 HydrophobicContact CG1-CZ 4.45Å; V445-F465 HydrophobicContact CG2-CD1 3.8Å; V445-F465 HydrophobicContact CG2-CE1 3.63Å; T462-F465 HydrophobicContact CG2-CE1 4.45Å; T462-F465 HydrophobicContact CG2-CE2 3.85Å; T462-F465 HydrophobicContact CG2-CZ 3.81Å; F465-K490 HydrophobicContact CD1-CD 4.31Å; F465-K490 HydrophobicContact CE1-CD 4.33Å
466	L	90.4	Very high	88.9	Confident	27 Å²	27	60.6 Å²	60.6	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.9	176.9	-48.5	175.1	0	0	0	110.2	I439 S443 V444 V446 A464 F472	I439-L466 HydrophobicContact CD1-CB 3.68Å; S443-L466 CarbonylContact C-O 3.6Å; S443-L466 VanDerWaalsContact CA-O 3.22Å; S443-L466 WeakPolarHBondContact CA-O 3.46Å; S443-L466 WeakPolarHBondContact CB-O 3.29Å; V444-L466 HydrophobicContact CG2-CB 3.67Å; V444-L466 HydrophobicContact CG2-CD1 4.2Å; V444-L466 HydrophobicContact CG2-CG 4.27Å; V444-L466 PolarHBondContact N-O 2.86Å; V444-L466 PolarHBondContact O-N 3.13Å; V446-L466 HydrophobicContact CG2-CD1 3.76Å; V446-L466 HydrophobicContact CG2-CG 3.83Å; A464-L466 HydrophobicContact CB-CD2 4.44Å; L466-F472 HydrophobicContact CD1-CB 3.68Å; L466-F472 HydrophobicContact CD1-CD1 4.45Å; L466-F472 HydrophobicContact CD1-CG 4.38Å
467	K	90.3	Very high	89	Confident	140 Å²	140	59 Å²	59	61%	0.609	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	169.7	-175.1	-63.9	-179.2	-179.1	176.5	0	111.3	G442 G469 Q470	G442-K467 CarbonylContact O-C 3.55Å; K467-G469 PolarHBondContact O-N 3.39Å; K467-Q470 WeakPolarHBondContact O-CB 3.5Å; K467-Q470 PolarHBondContact O-N 3.05Å; K467-Q470 VanDerWaalsContact O-N 3.09Å
468	A	89.1	Confident	88.8	Confident	42 Å²	42	53 Å²	53	35%	0.347	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43	136.7	168.3	0	0	0	0	0	111.9	I440 G442	I440-A468 WeakPolarHBondContact O-CB 3.24Å; G442-A468 PolarHBondContact O-N 3.33Å
469	G	86.2	Confident	88.4	Confident	8 Å²	8	51.5 Å²	51.5	8%	0.082	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-18.3	-174	0	0	0	0	0	114.7	A399 I439 K467	A399-G469 WeakPolarHBondContact CB-O 3.48Å; A399-G469 PolarHBondContact N-O 3.33Å; I439-G469 PolarHBondContact O-N 3.39Å; K467-G469 PolarHBondContact O-N 3.39Å
470	Q	87.3	Confident	88	Confident	65 Å²	65	48.6 Å²	48.6	30%	0.304	27%	0.265	S	S	.	.			trans	-95.8	171.3	177.4	-57.2	-177.2	-57.4	0	0	111.6	I439 K467	I439-Q470 WeakPolarHBondContact CB-O 3.39Å; I439-Q470 HydrophobicContact CD1-CB 4.47Å; I439-Q470 WeakPolarHBondContact CG1-O 3.46Å; I439-Q470 PolarHBondContact N-O 3.37Å; K467-Q470 WeakPolarHBondContact O-CB 3.5Å; K467-Q470 PolarHBondContact O-N 3.05Å; K467-Q470 VanDerWaalsContact O-N 3.09Å
471	S	90.5	Very high	87.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	168.9	172.8	70.6	0	0	0	0	111.2	F436 Y437 R550	F436-S471 WeakPolarHBondContact CE2-OG 3.18Å; F436-S471 WeakPolarHBondContact CZ-OG 3.19Å; Y437-S471 CarbonylContact O-C 3.58Å; Y437-S471 WeakPolarHBondContact O-CA 3.09Å; Y437-S471 WeakPolarHBondContact O-CB 3.35Å; S471-R550 PolarHBondContact O-NH2 3.44Å; S471-R550 WeakPolarHBondContact OG-CD 3.47Å; S471-R550 PolarHBondContact OG-NE 2.9Å; S471-R550 PolarHBondContact OG-NH2 3.12Å
472	F	92.5	Very high	87.9	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.9	177.2	64.3	-89.6	0	0	0	112.2	I426 I427 F436 Y437 I439 V444 L466 E474 I487 L495	I426-F472 HydrophobicContact CD1-CZ 3.96Å; I426-F472 HydrophobicContact CG2-CE2 4.07Å; I426-F472 HydrophobicContact CG2-CZ 4.19Å; I427-F472 HydrophobicContact CD1-CD2 3.69Å; I427-F472 HydrophobicContact CD1-CE2 3.78Å; I427-F472 HydrophobicContact CG1-CE2 4.3Å; F436-F472 VanDerWaalsContact CD2-O 3.26Å; F436-F472 WeakPolarHBondContact CD2-O 3.41Å; Y437-F472 VanDerWaalsContact CB-CZ 3.43Å; Y437-F472 HydrophobicContact CD1-CE2 4.46Å; Y437-F472 HydrophobicContact CD1-CZ 4.3Å; Y437-F472 AromaticContact CD2-CD2 3.89Å; Y437-F472 HydrophobicContact CD2-CD2 3.89Å; Y437-F472 AromaticContact CD2-CE2 3.4Å; Y437-F472 HydrophobicContact CD2-CE2 3.4Å; Y437-F472 AromaticContact CD2-CZ 3.98Å; Y437-F472 HydrophobicContact CD2-CZ 3.98Å; Y437-F472 HydrophobicContact CE2-CE2 4.12Å; Y437-F472 HydrophobicContact CG-CD2 4.32Å; Y437-F472 HydrophobicContact CG-CE1 4.43Å; Y437-F472 AromaticContact CG-CE2 3.61Å; Y437-F472 HydrophobicContact CG-CE2 3.61Å; Y437-F472 AromaticContact CG-CZ 3.66Å; Y437-F472 HydrophobicContact CG-CZ 3.66Å; Y437-F472 PolarHBondContact N-O 3.41Å; Y437-F472 PolarHBondContact O-N 2.64Å; I439-F472 HydrophobicContact CD1-CD1 3.9Å; I439-F472 HydrophobicContact CD1-CE1 4.12Å; I439-F472 HydrophobicContact CG1-CD1 3.8Å; I439-F472 HydrophobicContact CG1-CE1 3.71Å; V444-F472 HydrophobicContact CG2-CD1 4.31Å; V444-F472 HydrophobicContact CG2-CE1 4.37Å; L466-F472 HydrophobicContact CD1-CB 3.68Å; L466-F472 HydrophobicContact CD1-CD1 4.45Å; L466-F472 HydrophobicContact CD1-CG 4.38Å; F472-E474 VanDerWaalsContact C-OE2 3.23Å; F472-E474 VanDerWaalsContact CA-OE2 3.28Å; F472-E474 WeakPolarHBondContact CA-OE2 3.23Å; F472-I487 HydrophobicContact CD2-CB 4.4Å; F472-I487 HydrophobicContact CD2-CD1 4.44Å; F472-I487 HydrophobicContact CD2-CG1 3.9Å; F472-I487 HydrophobicContact CD2-CG2 4.04Å; F472-I487 HydrophobicContact CE2-CB 4.31Å; F472-I487 HydrophobicContact CE2-CG1 4.28Å; F472-I487 HydrophobicContact CE2-CG2 3.84Å; F472-I487 HydrophobicContact CZ-CG2 4.13Å; F472-L495 HydrophobicContact CE1-CD1 4.45Å; F472-L495 HydrophobicContact CE1-CD2 3.82Å; F472-L495 HydrophobicContact CZ-CD1 3.92Å; F472-L495 HydrophobicContact CZ-CD2 4.12Å
473	G	91.5	Very high	88.1	Confident	12 Å²	12	46.2 Å²	46.2	12%	0.124	26%	0.262	C	S	.	.	S	Bend	trans	89.8	8.5	176	0	0	0	0	0	114.3	L477 R483	G473-L477 WeakPolarHBondContact O-CD1 3.42Å; G473-R483 PolarHBondContact O-NH1 3.22Å
474	E	88.2	Confident	88.4	Confident	21 Å²	21	45.9 Å²	45.9	10%	0.098	26%	0.263	C	S	.	.			trans	-74.3	-37.5	175.6	71.6	-80	-138.5	0	0	112.4	F436 F472 A476 L477 I478 F503 R550	F436-E474 HydrophobicContact CD2-CB 3.86Å; F436-E474 HydrophobicContact CE2-CB 3.81Å; F472-E474 VanDerWaalsContact C-OE2 3.23Å; F472-E474 VanDerWaalsContact CA-OE2 3.28Å; F472-E474 WeakPolarHBondContact CA-OE2 3.23Å; E474-A476 PolarHBondContact O-N 3.1Å; E474-L477 WeakPolarHBondContact O-CA 3.35Å; E474-L477 WeakPolarHBondContact O-CB 3.36Å; E474-L477 PolarHBondContact O-N 3.38Å; E474-I478 HydrophobicContact CB-CD1 3.8Å; E474-I478 HydrophobicContact CB-CG1 4.45Å; E474-I478 HydrophobicContact CG-CD1 3.74Å; E474-I478 VanDerWaalsContact O-CG1 3.23Å; E474-I478 WeakPolarHBondContact O-CG1 3.4Å; E474-I478 PolarHBondContact O-N 3.49Å; E474-F503 HydrophobicContact CB-CE2 4.4Å; E474-F503 HydrophobicContact CB-CZ 4.33Å; E474-R550 IonicContact OE1-CZ 3.75Å; E474-R550 IonicContact OE1-NE 2.7Å; E474-R550 IonicContact OE1-NH2 3.36Å; E474-R550 PolarHBondContact OE1-NH2 3.39Å
475	L	85.9	Confident	88.7	Confident	57 Å²	57	44.8 Å²	44.8	30%	0.298	25%	0.254	S	S	.	.	H	α-helix	trans	-59.4	-43.4	-166.6	-61	177	0	0	0	113.5	L477 I478 Y479	L475-L477 VanDerWaalsContact C-N 3.31Å; L475-I478 PolarHBondContact O-N 3.28Å; L475-Y479 HydrophobicContact CB-CD2 4.4Å; L475-Y479 HydrophobicContact CD2-CE2 4.03Å; L475-Y479 VanDerWaalsContact O-CD2 3.23Å; L475-Y479 WeakPolarHBondContact O-CD2 3.31Å; L475-Y479 PolarHBondContact O-N 3.02Å
476	A	87.4	Confident	88.9	Confident	7 Å²	7	39.8 Å²	39.8	6%	0.058	23%	0.233	C	C	.	.	H	α-helix	trans	-75.3	-20.8	179.1	0	0	0	0	0	113	P433 E474 G480	P433-A476 HydrophobicContact CB-CB 3.74Å; P433-A476 HydrophobicContact CG-CB 3.96Å; P433-A476 WeakPolarHBondContact CG-O 3.49Å; E474-A476 PolarHBondContact O-N 3.1Å; A476-G480 CarbonylContact O-C 3.58Å; A476-G480 VanDerWaalsContact O-C 3.32Å; A476-G480 WeakPolarHBondContact O-CA 3.47Å; A476-G480 PolarHBondContact O-N 3.07Å
477	L	88.6	Confident	89.3	Confident	14 Å²	14	38.9 Å²	38.9	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-76.1	-42.2	171.8	-61.7	170.2	0	0	0	110.3	P433 F436 G473 E474 L475 N500 F503	P433-L477 HydrophobicContact CB-CD2 3.68Å; P433-L477 HydrophobicContact CB-CG 4.09Å; P433-L477 HydrophobicContact CG-CD2 4.11Å; F436-L477 HydrophobicContact CB-CD1 3.67Å; G473-L477 WeakPolarHBondContact O-CD1 3.42Å; E474-L477 WeakPolarHBondContact O-CA 3.35Å; E474-L477 WeakPolarHBondContact O-CB 3.36Å; E474-L477 PolarHBondContact O-N 3.38Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L477-N500 HydrophobicContact CD2-CB 3.58Å; L477-N500 VanDerWaalsContact CD2-ND2 3.34Å; L477-N500 WeakPolarHBondContact CD2-ND2 3.28Å; L477-N500 WeakPolarHBondContact CD2-OD1 3.47Å; L477-F503 HydrophobicContact CB-CD1 3.81Å; L477-F503 HydrophobicContact CB-CE1 3.72Å; L477-F503 HydrophobicContact CB-CZ 4.38Å; L477-F503 HydrophobicContact CD1-CB 4.27Å; L477-F503 HydrophobicContact CD1-CD1 3.95Å; L477-F503 HydrophobicContact CD1-CD2 4.07Å; L477-F503 HydrophobicContact CD1-CE1 4.32Å; L477-F503 HydrophobicContact CD1-CE2 4.44Å; L477-F503 HydrophobicContact CD1-CG 3.83Å; L477-F503 HydrophobicContact CG-CD1 4.45Å
478	I	83.7	Confident	89.6	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-57.1	-179.7	-67.2	170.4	0	0	0	111.4	E474 L475 G480 F503 M508 L545 T547	E474-I478 HydrophobicContact CB-CD1 3.8Å; E474-I478 HydrophobicContact CB-CG1 4.45Å; E474-I478 HydrophobicContact CG-CD1 3.74Å; E474-I478 VanDerWaalsContact O-CG1 3.23Å; E474-I478 WeakPolarHBondContact O-CG1 3.4Å; E474-I478 PolarHBondContact O-N 3.49Å; L475-I478 PolarHBondContact O-N 3.28Å; I478-G480 VanDerWaalsContact C-N 3.32Å; I478-F503 HydrophobicContact CD1-CZ 4.49Å; I478-F503 HydrophobicContact CG1-CE1 4.17Å; I478-F503 HydrophobicContact CG1-CZ 3.97Å; I478-M508 HydrophobicContact CB-CE 4.14Å; I478-M508 HydrophobicContact CG1-CE 3.54Å; I478-M508 HydrophobicContact CG2-CE 4.34Å; I478-L545 HydrophobicContact CG2-CD1 3.91Å; I478-L545 HydrophobicContact CG2-CD2 3.29Å; I478-L545 HydrophobicContact CG2-CG 4.1Å; I478-T547 HydrophobicContact CG2-CG2 4.16Å
479	Y	81	Confident	90	Very high	68 Å²	68	32.6 Å²	32.6	27%	0.267	20%	0.195	S	C	.	.	S	Bend	trans	-88.4	-1.7	-174.4	-59.2	-59.7	0	0	0	113.5	L475 L545 F549 W564 Y566	L475-Y479 HydrophobicContact CB-CD2 4.4Å; L475-Y479 HydrophobicContact CD2-CE2 4.03Å; L475-Y479 VanDerWaalsContact O-CD2 3.23Å; L475-Y479 WeakPolarHBondContact O-CD2 3.31Å; L475-Y479 PolarHBondContact O-N 3.02Å; Y479-L545 HydrophobicContact CD1-CD2 4.01Å; Y479-L545 HydrophobicContact CE1-CD2 3.93Å; Y479-F549 WeakPolarHBondContact OH-CE1 3.45Å; Y479-F549 WeakPolarHBondContact OH-CZ 3.29Å; Y479-W564 AromaticContact CD1-NE1 3.84Å; Y479-Y566 HydrophobicContact CE1-CE1 4.49Å; Y479-Y566 PolarHBondContact OH-OH 3.35Å; Y479-Y566 VanDerWaalsContact OH-OH 3.14Å
480	G	80.6	Confident	90.3	Very high	41 Å²	41	38.1 Å²	38.1	42%	0.423	22%	0.216	S	C	.	.			trans	65.3	-171.9	-168.1	0	0	0	0	0	113.2	A476 I478	A476-G480 CarbonylContact O-C 3.58Å; A476-G480 VanDerWaalsContact O-C 3.32Å; A476-G480 WeakPolarHBondContact O-CA 3.47Å; A476-G480 PolarHBondContact O-N 3.07Å; I478-G480 VanDerWaalsContact C-N 3.32Å
481	G	85.6	Confident	90.7	Very high	62 Å²	62	37.1 Å²	37.1	64%	0.639	22%	0.215	S	C	*	.	S	Bend	trans	81.7	-148	178.3	0	0	0	0	0	114.2	P433	P433-G481 WeakPolarHBondContact CD-O 3.45Å
482	K	93.3	Very high	90.9	Very high	154 Å²	154	40.9 Å²	40.9	67%	0.67	24%	0.239	S	C	*	.	S	Bend	trans	-105.9	157.1	-174.3	-70.9	170.9	171.1	-177	0	110.9	G430 Q431 S484	G430-K482 VanDerWaalsContact O-CD 3.24Å; G430-K482 WeakPolarHBondContact O-CD 3.44Å; G430-K482 WeakPolarHBondContact O-CG 3.38Å; Q431-K482 CarbonylContact O-C 3.49Å; Q431-K482 WeakPolarHBondContact O-CA 3.22Å; K482-S484 PolarHBondContact O-N 2.84Å
483	R	95.4	Very high	91	Very high	16 Å²	16	40.6 Å²	40.6	6%	0.06	24%	0.238	C	C	.	.			trans	-52.9	122.8	174.3	-64.5	-67.5	-165.2	-179.3	1.9	110.6	I427 R428 Q429 G430 Q431 N435 G473	I427-R483 HydrophobicContact CG2-CB 3.86Å; I427-R483 VanDerWaalsContact CG2-CD 3.49Å; I427-R483 HydrophobicContact CG2-CG 3.55Å; R428-R483 WeakPolarHBondContact O-CB 3.42Å; Q429-R483 WeakPolarHBondContact CA-O 3.46Å; G430-R483 PolarHBondContact N-O 3.27Å; Q431-R483 HydrophobicContact CB-CG 4.4Å; Q431-R483 VanDerWaalsContact O-CG 3.26Å; Q431-R483 WeakPolarHBondContact O-CG 3.47Å; Q431-R483 PolarHBondContact O-N 2.95Å; N435-R483 PolarHBondContact O-NH1 2.94Å; N435-R483 PolarHBondContact O-NH2 3.26Å; G473-R483 PolarHBondContact O-NH1 3.22Å
484	S	90.8	Very high	91.2	Very high	70 Å²	70	40.9 Å²	40.9	49%	0.49	24%	0.236	S	C	.	.	S	Bend	trans	-77	-22.8	-178.9	52.3	0	0	0	0	113.7	K482	K482-S484 PolarHBondContact O-N 2.84Å
485	A	93.6	Very high	91.6	Very high	12 Å²	12	39.9 Å²	39.9	10%	0.099	23%	0.231	C	C	.	.	S	Bend	trans	-142.4	160.9	-176.7	0	0	0	0	0	111.6	I427 Q429 V446 V448	I427-A485 WeakPolarHBondContact CG2-O 3.05Å; Q429-A485 PolarHBondContact N-O 3.45Å; V446-A485 HydrophobicContact CG1-CB 3.58Å; V448-A485 HydrophobicContact CG2-CB 3.71Å
486	T	95.6	Very high	92.1	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	140.7	169.7	-61.8	0	0	0	0	109	M425 I427 Q429 S447 I488	M425-T486 HydrophobicContact CE-CG2 3.81Å; M425-T486 HydrophobicContact CG-CG2 3.89Å; M425-T486 HydrophobicContact SD-CG2 3.9Å; I427-T486 CarbonylContact O-C 3.56Å; I427-T486 VanDerWaalsContact O-CA 3.26Å; I427-T486 WeakPolarHBondContact O-CA 3.4Å; I427-T486 VanDerWaalsContact O-CG2 3.3Å; I427-T486 WeakPolarHBondContact O-CG2 3.47Å; Q429-T486 WeakPolarHBondContact CB-OG1 3.33Å; Q429-T486 PolarHBondContact N-OG1 3.41Å; S447-T486 PolarHBondContact N-O 3.34Å; S447-T486 PolarHBondContact O-N 3.34Å; T486-I488 HydrophobicContact CG2-CD1 4.19Å; T486-I488 HydrophobicContact CG2-CG1 3.94Å
487	I	97.5	Very high	92.5	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.046	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.3	178	-54.1	-65.9	0	0	0	109.4	M425 I426 I427 V444 V445 V446 F472	M425-I487 WeakPolarHBondContact CA-O 3.32Å; I426-I487 HydrophobicContact CD1-CG2 4.49Å; I426-I487 PolarHBondContact N-O 2.92Å; I427-I487 HydrophobicContact CB-CB 3.98Å; I427-I487 HydrophobicContact CB-CG1 3.86Å; I427-I487 HydrophobicContact CD1-CG1 3.97Å; I427-I487 HydrophobicContact CG1-CB 4.44Å; I427-I487 HydrophobicContact CG1-CG1 4.26Å; I427-I487 HydrophobicContact CG2-CG1 4.49Å; I427-I487 PolarHBondContact N-O 3.4Å; I427-I487 PolarHBondContact O-N 3.41Å; V444-I487 HydrophobicContact CB-CG2 3.8Å; V444-I487 HydrophobicContact CG1-CG2 4.2Å; V444-I487 HydrophobicContact CG2-CG2 3.85Å; V445-I487 WeakPolarHBondContact O-CA 3.45Å; V446-I487 HydrophobicContact CB-CD1 4.01Å; V446-I487 HydrophobicContact CG1-CD1 3.84Å; V446-I487 HydrophobicContact CG2-CD1 3.62Å; F472-I487 HydrophobicContact CD2-CB 4.4Å; F472-I487 HydrophobicContact CD2-CD1 4.44Å; F472-I487 HydrophobicContact CD2-CG1 3.9Å; F472-I487 HydrophobicContact CD2-CG2 4.04Å; F472-I487 HydrophobicContact CE2-CB 4.31Å; F472-I487 HydrophobicContact CE2-CG1 4.28Å; F472-I487 HydrophobicContact CE2-CG2 3.84Å; F472-I487 HydrophobicContact CZ-CG2 4.13Å
488	I	96.5	Very high	92.9	Very high	47 Å²	47	36.2 Å²	36.2	24%	0.241	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.9	-177.1	-54.3	175.1	0	0	0	109.9	M425 V444 V445 T486 K490	M425-I488 HydrophobicContact CB-CG1 4.47Å; M425-I488 HydrophobicContact CG-CG1 4.42Å; V444-I488 CarbonylContact C-O 3.58Å; V444-I488 VanDerWaalsContact CA-O 3.28Å; V444-I488 WeakPolarHBondContact CA-O 3.45Å; V445-I488 PolarHBondContact N-O 3.44Å; V445-I488 PolarHBondContact O-N 3Å; T486-I488 HydrophobicContact CG2-CD1 4.19Å; T486-I488 HydrophobicContact CG2-CG1 3.94Å; I488-K490 PolarHBondContact O-N 2.98Å
489	C	97.4	Very high	93.4	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	123.4	173.3	-63.5	0	0	0	0	111	E421 R423 R424 I426 T491 V493	E421-C489 WeakPolarHBondContact O-CB 3.21Å; R423-C489 VanDerWaalsContact CA-O 3.27Å; R423-C489 WeakPolarHBondContact CA-O 3.48Å; R423-C489 PolarHBondContact N-O 3.4Å; R424-C489 HydrophobicContact CB-CB 4.47Å; R424-C489 PolarHBondContact O-N 3.29Å; R424-C489 PolarHBondContact O-SG 2.94Å; I426-C489 WeakPolarHBondContact CD1-SG 3.28Å; C489-T491 WeakPolarHBondContact CB-O 3.45Å; C489-V493 HydrophobicContact CB-CG2 4.2Å
490	K	94.1	Very high	93.9	Very high	124 Å²	124	35.9 Å²	35.9	54%	0.539	22%	0.216	S	C	.	.	S	Bend	trans	-84.1	-41.1	171.9	-174.6	177	178.9	176.7	0	111	S443 V445 F465 I488	S443-K490 WeakPolarHBondContact O-CB 3.42Å; S443-K490 PolarHBondContact O-N 2.79Å; V445-K490 HydrophobicContact CG2-CB 3.96Å; V445-K490 HydrophobicContact CG2-CD 4.36Å; V445-K490 HydrophobicContact CG2-CG 4.44Å; F465-K490 HydrophobicContact CD1-CD 4.31Å; F465-K490 HydrophobicContact CE1-CD 4.33Å; I488-K490 PolarHBondContact O-N 2.98Å
491	T	94.3	Very high	94.4	Very high	44 Å²	44	39.2 Å²	39.2	27%	0.27	23%	0.225	S	C	.	.	S	Bend	trans	-116.7	176.4	174.9	60.9	0	0	0	0	109.2	A422 G442 S443 C489 V493	A422-T491 WeakPolarHBondContact CA-O 3.11Å; G442-T491 VanDerWaalsContact CA-OG1 3.24Å; G442-T491 WeakPolarHBondContact CA-OG1 3.47Å; S443-T491 PolarHBondContact N-OG1 2.95Å; S443-T491 PolarHBondContact O-N 3.1Å; S443-T491 WeakPolarHBondContact OG-CG2 3.3Å; S443-T491 PolarHBondContact OG-OG1 2.98Å; C489-T491 WeakPolarHBondContact CB-O 3.45Å; T491-V493 WeakPolarHBondContact O-CG2 3.3Å; T491-V493 PolarHBondContact O-N 3.44Å
492	P	94.9	Very high	94.7	Very high	80 Å²	80	38.8 Å²	38.8	52%	0.519	21%	0.206	S	C	.	.			trans	-54.5	136.3	158.8	-22.5	35	0	0	0	109.3	Y420 G442	Y420-P492 CarbonylContact O-C 3.57Å; Y420-P492 WeakPolarHBondContact O-CA 3.38Å; G442-P492 WeakPolarHBondContact CA-O 3.41Å
493	V	95.6	Very high	94.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.6	-173.5	172.8	0	0	0	0	109.6	K419 Y420 I439 S441 S443 V444 C489 T491 L495	K419-V493 WeakPolarHBondContact CA-O 3.41Å; Y420-V493 PolarHBondContact N-O 2.95Å; Y420-V493 PolarHBondContact O-N 3.04Å; I439-V493 HydrophobicContact CG2-CG1 4.28Å; S441-V493 WeakPolarHBondContact O-CA 3.4Å; S443-V493 VanDerWaalsContact O-CG2 3.31Å; S443-V493 WeakPolarHBondContact O-CG2 3.42Å; V444-V493 HydrophobicContact CG1-CG1 4.23Å; V444-V493 HydrophobicContact CG1-CG2 3.86Å; C489-V493 HydrophobicContact CB-CG2 4.2Å; T491-V493 WeakPolarHBondContact O-CG2 3.3Å; T491-V493 PolarHBondContact O-N 3.44Å; V493-L495 HydrophobicContact CG1-CD1 4.42Å; V493-L495 HydrophobicContact CG1-CD2 3.35Å; V493-L495 HydrophobicContact CG1-CG 3.73Å
494	E	95.7	Very high	94.1	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.1	172.6	-65.4	-177.8	177	0	0	108.7	Y417 K419 I440 S441	Y417-E494 HydrophobicContact CE2-CB 3.9Å; Y417-E494 HydrophobicContact CE2-CG 4.17Å; Y417-E494 VanDerWaalsContact OH-CG 3.31Å; Y417-E494 WeakPolarHBondContact OH-CG 3.29Å; Y417-E494 PolarHBondContact OH-OE1 3.42Å; K419-E494 HydrophobicContact CB-CG 4.46Å; K419-E494 HydrophobicContact CD-CG 4.03Å; K419-E494 WeakPolarHBondContact CE-OE1 3.11Å; K419-E494 HydrophobicContact CG-CG 4.01Å; K419-E494 IonicContact NZ-OE1 2.8Å; K419-E494 PolarHBondContact NZ-OE1 3.27Å; I440-E494 HydrophobicContact CB-CB 4.2Å; I440-E494 WeakPolarHBondContact CB-O 3.39Å; I440-E494 HydrophobicContact CG2-CB 4.47Å; I440-E494 PolarHBondContact N-O 3.33Å; S441-E494 PolarHBondContact N-O 3.48Å; S441-E494 PolarHBondContact O-N 2.82Å
495	L	96.3	Very high	93.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.6	-172.7	-58.9	178.7	0	0	0	111.9	Y417 E418 Y420 I426 Y437 F438 I439 I440 F472 V493 V497	Y417-L495 WeakPolarHBondContact CA-O 3.32Å; E418-L495 PolarHBondContact N-O 2.96Å; E418-L495 PolarHBondContact O-N 2.85Å; Y420-L495 HydrophobicContact CD2-CD1 3.74Å; Y420-L495 HydrophobicContact CD2-CG 4.4Å; Y420-L495 HydrophobicContact CE2-CD1 3.8Å; I426-L495 HydrophobicContact CD1-CD1 3.76Å; I426-L495 HydrophobicContact CG1-CD1 4.47Å; I426-L495 HydrophobicContact CG2-CD1 4.31Å; Y437-L495 HydrophobicContact CD1-CB 4.48Å; Y437-L495 HydrophobicContact CD1-CD1 3.69Å; Y437-L495 HydrophobicContact CE1-CD1 4.37Å; Y437-L495 HydrophobicContact CG-CD1 4.33Å; F438-L495 CarbonylContact O-C 3.54Å; F438-L495 WeakPolarHBondContact O-CA 3.32Å; F438-L495 WeakPolarHBondContact O-CD2 3.48Å; I439-L495 HydrophobicContact CB-CD2 4.4Å; I439-L495 HydrophobicContact CG1-CD2 4.06Å; I440-L495 VanDerWaalsContact CD1-C 3.49Å; F472-L495 HydrophobicContact CE1-CD1 4.45Å; F472-L495 HydrophobicContact CE1-CD2 3.82Å; F472-L495 HydrophobicContact CZ-CD1 3.92Å; F472-L495 HydrophobicContact CZ-CD2 4.12Å; V493-L495 HydrophobicContact CG1-CD1 4.42Å; V493-L495 HydrophobicContact CG1-CD2 3.35Å; V493-L495 HydrophobicContact CG1-CG 3.73Å; L495-V497 HydrophobicContact CB-CG2 4.01Å
496	L	96.2	Very high	93.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119	160.1	-179	70.3	0	0	0	107.6	L374 V393 I411 I412 A415 Y437 F438 I440	L374-L496 HydrophobicContact CD1-CD1 4.07Å; L374-L496 HydrophobicContact CD2-CD1 3.84Å; L374-L496 HydrophobicContact CG-CD1 4.47Å; V393-L496 HydrophobicContact CG1-CD2 4.22Å; I411-L496 HydrophobicContact CG2-CD2 4.15Å; I412-L496 HydrophobicContact CD1-CD2 3.98Å; A415-L496 HydrophobicContact CB-CD1 3.59Å; A415-L496 HydrophobicContact CB-CD2 4.22Å; A415-L496 HydrophobicContact CB-CG 3.73Å; Y437-L496 CarbonylContact C-O 3.57Å; Y437-L496 WeakPolarHBondContact CA-O 3.26Å; F438-L496 HydrophobicContact CB-CB 4.14Å; F438-L496 HydrophobicContact CD2-CB 4.38Å; F438-L496 HydrophobicContact CD2-CD2 4.06Å; F438-L496 HydrophobicContact CD2-CG 4.4Å; F438-L496 PolarHBondContact N-O 2.47Å; F438-L496 PolarHBondContact O-N 3.32Å; I440-L496 HydrophobicContact CD1-CB 4.03Å; I440-L496 HydrophobicContact CG1-CB 4.44Å
497	V	96.9	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.9	-170.3	-169.3	0	0	0	0	110.1	A415 W416 E418 N435 F436 Y437 L495	A415-V497 CarbonylContact C-O 3.55Å; A415-V497 WeakPolarHBondContact CA-O 3.13Å; A415-V497 WeakPolarHBondContact CB-O 3.35Å; W416-V497 HydrophobicContact CD2-CB 4.1Å; W416-V497 VanDerWaalsContact CE3-O 3.32Å; W416-V497 HydrophobicContact CH2-CB 4.41Å; W416-V497 HydrophobicContact CH2-CG1 3.84Å; W416-V497 HydrophobicContact CZ2-CB 3.84Å; W416-V497 HydrophobicContact CZ2-CG1 3.38Å; W416-V497 PolarHBondContact N-O 2.7Å; W416-V497 PolarHBondContact O-N 3.48Å; E418-V497 HydrophobicContact CB-CG2 3.87Å; E418-V497 HydrophobicContact CG-CG2 3.75Å; N435-V497 HydrophobicContact CB-CG1 3.65Å; F436-V497 WeakPolarHBondContact O-CA 3.07Å; Y437-V497 HydrophobicContact CD1-CB 4.22Å; Y437-V497 HydrophobicContact CD1-CG1 3.81Å; Y437-V497 HydrophobicContact CD1-CG2 3.69Å; Y437-V497 HydrophobicContact CE1-CB 4.33Å; Y437-V497 HydrophobicContact CE1-CG1 3.55Å; Y437-V497 HydrophobicContact CE1-CG2 3.92Å; L495-V497 HydrophobicContact CB-CG2 4.01Å
498	M	95.1	Very high	91.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.2	175.7	178.8	-179.3	-64.6	0	0	109.7	I411 A415 N435 F436 E502 F503 I506 F507	I411-M498 HydrophobicContact CB-CE 3.74Å; I411-M498 HydrophobicContact CG1-CE 3.57Å; I411-M498 HydrophobicContact CG2-CE 3.56Å; A415-M498 HydrophobicContact CB-CB 4.43Å; N435-M498 CarbonylContact C-O 3.53Å; N435-M498 WeakPolarHBondContact CA-O 3.39Å; N435-M498 VanDerWaalsContact CB-O 3.3Å; N435-M498 WeakPolarHBondContact CB-O 3.35Å; F436-M498 PolarHBondContact N-O 3.33Å; F436-M498 PolarHBondContact O-N 3.32Å; M498-E502 HydrophobicContact CG-CB 3.86Å; M498-E502 HydrophobicContact SD-CB 4.32Å; M498-F503 HydrophobicContact CG-CB 4.4Å; M498-F503 VanDerWaalsContact SD-CA 3.56Å; M498-F503 HydrophobicContact SD-CB 3.99Å; M498-F503 HydrophobicContact SD-CD2 4.46Å; M498-I506 HydrophobicContact CE-CD1 3.77Å; M498-I506 HydrophobicContact SD-CD1 4.15Å; M498-F507 HydrophobicContact CE-CE2 4.08Å; M498-F507 HydrophobicContact SD-CD2 4.27Å; M498-F507 HydrophobicContact SD-CE2 3.7Å
499	S	94.9	Very high	90.1	Very high	26 Å²	26	41.5 Å²	41.5	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	156.5	175.9	29.9	0	0	0	0	112.9	N435 N501 E502 F503	N435-S499 WeakPolarHBondContact OD1-CA 3.33Å; S499-N501 VanDerWaalsContact C-N 3.32Å; S499-N501 PolarHBondContact O-N 3.04Å; S499-E502 WeakPolarHBondContact CB-OE2 3.46Å; S499-E502 PolarHBondContact O-N 3.23Å; S499-E502 PolarHBondContact OG-OE2 2.83Å; S499-F503 WeakPolarHBondContact O-CB 3.28Å; S499-F503 PolarHBondContact O-N 2.75Å
500	N	92.3	Very high	87.8	Confident	41 Å²	41	44 Å²	44	22%	0.219	23%	0.226	C	C	.	.	H	α-helix	trans	-53.7	-44.3	-178.9	-175.7	-14.9	0	0	0	112.6	P433 L434 L477 E502 F503 N504	P433-N500 PolarHBondContact O-ND2 3.41Å; L434-N500 VanDerWaalsContact O-CB 3.3Å; L434-N500 WeakPolarHBondContact O-CB 3.49Å; L434-N500 PolarHBondContact O-N 2.8Å; L477-N500 HydrophobicContact CD2-CB 3.58Å; L477-N500 VanDerWaalsContact CD2-ND2 3.34Å; L477-N500 WeakPolarHBondContact CD2-ND2 3.28Å; L477-N500 WeakPolarHBondContact CD2-OD1 3.47Å; N500-E502 PolarHBondContact O-N 2.88Å; N500-F503 WeakPolarHBondContact O-CB 3.44Å; N500-F503 PolarHBondContact O-N 2.88Å; N500-N504 PolarHBondContact O-N 2.85Å; N500-N504 PolarHBondContact O-ND2 2.81Å; N500-N504 PolarHBondContact OD1-ND2 3.43Å
501	N	91.1	Very high	85.7	Confident	111 Å²	111	41.8 Å²	41.8	59%	0.594	22%	0.223	S	C	*	.	H	α-helix	trans	-62.7	-47.4	-178.1	-66.1	17.9	0	0	0	111.7	S499 F503 N504 Q505	S499-N501 VanDerWaalsContact C-N 3.32Å; S499-N501 PolarHBondContact O-N 3.04Å; N501-F503 VanDerWaalsContact C-N 3.32Å; N501-N504 PolarHBondContact O-N 2.9Å; N501-Q505 VanDerWaalsContact O-CG 3.31Å; N501-Q505 WeakPolarHBondContact O-CG 3.43Å; N501-Q505 PolarHBondContact O-N 2.82Å
502	E	91.8	Very high	83.3	Confident	52 Å²	52	47.7 Å²	47.7	24%	0.243	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-37.7	176.6	-72.7	69.3	-170	0	0	111	K414 M498 S499 N500 Q505 I506	K414-E502 HydrophobicContact CB-CB 4.4Å; K414-E502 HydrophobicContact CB-CG 3.95Å; K414-E502 HydrophobicContact CD-CG 4.42Å; K414-E502 HydrophobicContact CG-CG 4.23Å; M498-E502 HydrophobicContact CG-CB 3.86Å; M498-E502 HydrophobicContact SD-CB 4.32Å; S499-E502 WeakPolarHBondContact CB-OE2 3.46Å; S499-E502 PolarHBondContact O-N 3.23Å; S499-E502 PolarHBondContact OG-OE2 2.83Å; N500-E502 PolarHBondContact O-N 2.88Å; E502-Q505 PolarHBondContact O-N 3.24Å; E502-I506 WeakPolarHBondContact O-CB 3.49Å; E502-I506 VanDerWaalsContact O-CG1 3.29Å; E502-I506 WeakPolarHBondContact O-CG1 3.2Å; E502-I506 PolarHBondContact O-N 3.02Å
503	F	90.7	Very high	81.1	Confident	5 Å²	5	51 Å²	51	2%	0.022	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-49.1	173.5	179.1	-87.8	0	0	0	110.9	F436 E474 L477 I478 M498 S499 N500 N501 Q505 I506 F507 M508	F436-F503 HydrophobicContact CB-CD2 3.82Å; F436-F503 HydrophobicContact CB-CE2 4.32Å; F436-F503 AromaticContact CD1-CD2 3.67Å; F436-F503 HydrophobicContact CD1-CD2 3.67Å; F436-F503 AromaticContact CD1-CE2 3.87Å; F436-F503 HydrophobicContact CD1-CE2 3.87Å; F436-F503 HydrophobicContact CD2-CE2 4.47Å; F436-F503 HydrophobicContact CE1-CD2 4.4Å; F436-F503 HydrophobicContact CE1-CE2 4.24Å; F436-F503 AromaticContact CG-CD2 3.86Å; F436-F503 HydrophobicContact CG-CD2 3.86Å; F436-F503 AromaticContact CG-CE2 3.98Å; F436-F503 HydrophobicContact CG-CE2 3.98Å; E474-F503 HydrophobicContact CB-CE2 4.4Å; E474-F503 HydrophobicContact CB-CZ 4.33Å; L477-F503 HydrophobicContact CB-CD1 3.81Å; L477-F503 HydrophobicContact CB-CE1 3.72Å; L477-F503 HydrophobicContact CB-CZ 4.38Å; L477-F503 HydrophobicContact CD1-CB 4.27Å; L477-F503 HydrophobicContact CD1-CD1 3.95Å; L477-F503 HydrophobicContact CD1-CD2 4.07Å; L477-F503 HydrophobicContact CD1-CE1 4.32Å; L477-F503 HydrophobicContact CD1-CE2 4.44Å; L477-F503 HydrophobicContact CD1-CG 3.83Å; L477-F503 HydrophobicContact CG-CD1 4.45Å; I478-F503 HydrophobicContact CD1-CZ 4.49Å; I478-F503 HydrophobicContact CG1-CE1 4.17Å; I478-F503 HydrophobicContact CG1-CZ 3.97Å; M498-F503 HydrophobicContact CG-CB 4.4Å; M498-F503 VanDerWaalsContact SD-CA 3.56Å; M498-F503 HydrophobicContact SD-CB 3.99Å; M498-F503 HydrophobicContact SD-CD2 4.46Å; S499-F503 WeakPolarHBondContact O-CB 3.28Å; S499-F503 PolarHBondContact O-N 2.75Å; N500-F503 WeakPolarHBondContact O-CB 3.44Å; N500-F503 PolarHBondContact O-N 2.88Å; N501-F503 VanDerWaalsContact C-N 3.32Å; F503-Q505 VanDerWaalsContact C-N 3.31Å; F503-Q505 PolarHBondContact O-N 2.8Å; F503-I506 PolarHBondContact O-N 3.02Å; F503-F507 HydrophobicContact CB-CD2 4.39Å; F503-F507 HydrophobicContact CD1-CD2 4.5Å; F503-F507 AromaticContact CD2-CD2 3.28Å; F503-F507 HydrophobicContact CD2-CD2 3.28Å; F503-F507 AromaticContact CD2-CE2 3.64Å; F503-F507 HydrophobicContact CD2-CE2 3.64Å; F503-F507 HydrophobicContact CD2-CG 4.12Å; F503-F507 HydrophobicContact CE1-CB 4.33Å; F503-F507 HydrophobicContact CE2-CB 4.29Å; F503-F507 AromaticContact CE2-CD2 3.5Å; F503-F507 HydrophobicContact CE2-CD2 3.5Å; F503-F507 AromaticContact CE2-CE2 3.93Å; F503-F507 HydrophobicContact CE2-CE2 3.93Å; F503-F507 AromaticContact CE2-CG 3.91Å; F503-F507 HydrophobicContact CE2-CG 3.91Å; F503-F507 AromaticContact CG-CD2 3.83Å; F503-F507 HydrophobicContact CG-CD2 3.83Å; F503-F507 HydrophobicContact CG-CE2 4.49Å; F503-F507 HydrophobicContact CZ-CB 4.17Å; F503-F507 HydrophobicContact CZ-CD2 4.22Å; F503-F507 HydrophobicContact CZ-CG 4.26Å; F503-F507 WeakPolarHBondContact O-CB 3.31Å; F503-F507 WeakPolarHBondContact O-CD2 3.47Å; F503-F507 PolarHBondContact O-N 2.52Å; F503-M508 HydrophobicContact CE1-CE 3.63Å; F503-M508 HydrophobicContact CE1-CG 4.31Å; F503-M508 HydrophobicContact CZ-CE 4.09Å
504	N	85.4	Confident	78.8	Confident	59 Å²	59	58.6 Å²	58.6	32%	0.316	30%	0.3	S	S	.	.	H	α-helix	trans	-64.4	-38.1	178	-64.6	-30.8	0	0	0	111.8	N500 N501 I506 M508 Q509	N500-N504 PolarHBondContact O-N 2.85Å; N500-N504 PolarHBondContact O-ND2 2.81Å; N500-N504 PolarHBondContact OD1-ND2 3.43Å; N501-N504 PolarHBondContact O-N 2.9Å; N504-I506 VanDerWaalsContact C-N 3.35Å; N504-I506 PolarHBondContact O-N 2.85Å; N504-M508 HydrophobicContact CB-CB 4.34Å; N504-M508 CarbonylContact O-C 3.6Å; N504-M508 VanDerWaalsContact O-C 3.27Å; N504-M508 VanDerWaalsContact O-CA 3.3Å; N504-M508 WeakPolarHBondContact O-CA 3.23Å; N504-M508 VanDerWaalsContact O-CB 3.28Å; N504-M508 WeakPolarHBondContact O-CB 3.44Å; N504-M508 PolarHBondContact O-N 2.78Å; N504-Q509 PolarHBondContact O-N 2.86Å
505	Q	85	Confident	77	Confident	107 Å²	107	62 Å²	62	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-66.2	-34.8	176.4	-73.5	175.2	5.3	0	0	112.9	N501 E502 F503 Q509	N501-Q505 VanDerWaalsContact O-CG 3.31Å; N501-Q505 WeakPolarHBondContact O-CG 3.43Å; N501-Q505 PolarHBondContact O-N 2.82Å; E502-Q505 PolarHBondContact O-N 3.24Å; F503-Q505 VanDerWaalsContact C-N 3.31Å; F503-Q505 PolarHBondContact O-N 2.8Å; Q505-Q509 WeakPolarHBondContact O-CB 3.22Å; Q505-Q509 WeakPolarHBondContact O-CG 3.46Å; Q505-Q509 PolarHBondContact O-NE2 3.43Å
506	I	84.8	Confident	75.8	Confident	26 Å²	26	62.4 Å²	62.4	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-92.2	-42.6	-174.6	-65.7	167.4	0	0	0	111.6	M407 A410 I411 M498 E502 F503 N504	M407-I506 HydrophobicContact CB-CG2 4.42Å; M407-I506 HydrophobicContact CE-CG2 4.14Å; M407-I506 HydrophobicContact CG-CG2 4.48Å; A410-I506 HydrophobicContact CB-CD1 3.99Å; A410-I506 HydrophobicContact CB-CG1 4Å; A410-I506 HydrophobicContact CB-CG2 4.35Å; I411-I506 HydrophobicContact CG1-CD1 4.47Å; I411-I506 HydrophobicContact CG1-CG2 4.08Å; M498-I506 HydrophobicContact CE-CD1 3.77Å; M498-I506 HydrophobicContact SD-CD1 4.15Å; E502-I506 WeakPolarHBondContact O-CB 3.49Å; E502-I506 VanDerWaalsContact O-CG1 3.29Å; E502-I506 WeakPolarHBondContact O-CG1 3.2Å; E502-I506 PolarHBondContact O-N 3.02Å; F503-I506 PolarHBondContact O-N 3.02Å; N504-I506 VanDerWaalsContact C-N 3.35Å; N504-I506 PolarHBondContact O-N 2.85Å
507	F	79.1	Confident	75	Confident	15 Å²	15	67 Å²	67	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-98.1	-30.1	-173.1	-63.7	-80.7	0	0	0	113.5	F403 M407 I411 F436 M498 F503	F403-F507 AromaticContact CD1-CE1 3.95Å; F403-F507 HydrophobicContact CD1-CE1 3.95Å; F403-F507 HydrophobicContact CE1-CD1 4.2Å; F403-F507 AromaticContact CE1-CE1 3.48Å; F403-F507 HydrophobicContact CE1-CE1 3.48Å; F403-F507 VanDerWaalsContact CE1-CE1 3.48Å; F403-F507 HydrophobicContact CE1-CZ 4.45Å; F403-F507 HydrophobicContact CE2-CE1 4.28Å; F403-F507 AromaticContact CZ-CE1 3.67Å; F403-F507 HydrophobicContact CZ-CE1 3.67Å; F403-F507 HydrophobicContact CZ-CZ 4.27Å; M407-F507 HydrophobicContact CE-CD1 3.41Å; M407-F507 VanDerWaalsContact CE-CD1 3.41Å; M407-F507 HydrophobicContact CE-CE1 3.62Å; M407-F507 HydrophobicContact CE-CG 4.23Å; I411-F507 HydrophobicContact CD1-CE1 4.33Å; I411-F507 HydrophobicContact CD1-CZ 3.71Å; I411-F507 HydrophobicContact CG1-CE2 4.38Å; I411-F507 HydrophobicContact CG1-CZ 4.02Å; F436-F507 HydrophobicContact CD1-CE2 4.33Å; F436-F507 HydrophobicContact CE1-CE2 4.26Å; F436-F507 HydrophobicContact CE1-CZ 4.16Å; M498-F507 HydrophobicContact CE-CE2 4.08Å; M498-F507 HydrophobicContact SD-CD2 4.27Å; M498-F507 HydrophobicContact SD-CE2 3.7Å; F503-F507 HydrophobicContact CB-CD2 4.39Å; F503-F507 HydrophobicContact CD1-CD2 4.5Å; F503-F507 AromaticContact CD2-CD2 3.28Å; F503-F507 HydrophobicContact CD2-CD2 3.28Å; F503-F507 AromaticContact CD2-CE2 3.64Å; F503-F507 HydrophobicContact CD2-CE2 3.64Å; F503-F507 HydrophobicContact CD2-CG 4.12Å; F503-F507 HydrophobicContact CE1-CB 4.33Å; F503-F507 HydrophobicContact CE2-CB 4.29Å; F503-F507 AromaticContact CE2-CD2 3.5Å; F503-F507 HydrophobicContact CE2-CD2 3.5Å; F503-F507 AromaticContact CE2-CE2 3.93Å; F503-F507 HydrophobicContact CE2-CE2 3.93Å; F503-F507 AromaticContact CE2-CG 3.91Å; F503-F507 HydrophobicContact CE2-CG 3.91Å; F503-F507 AromaticContact CG-CD2 3.83Å; F503-F507 HydrophobicContact CG-CD2 3.83Å; F503-F507 HydrophobicContact CG-CE2 4.49Å; F503-F507 HydrophobicContact CZ-CB 4.17Å; F503-F507 HydrophobicContact CZ-CD2 4.22Å; F503-F507 HydrophobicContact CZ-CG 4.26Å; F503-F507 WeakPolarHBondContact O-CB 3.31Å; F503-F507 WeakPolarHBondContact O-CD2 3.47Å; F503-F507 PolarHBondContact O-N 2.52Å
508	M	73.4	Confident	74.3	Confident	30 Å²	30	67.5 Å²	67.5	15%	0.148	35%	0.346	C	S	.	.	S	Bend	trans	-107.7	13.7	-173.9	-56.3	-67.1	165.6	0	0	113.1	I478 F503 N504 N510 L545	I478-M508 HydrophobicContact CB-CE 4.14Å; I478-M508 HydrophobicContact CG1-CE 3.54Å; I478-M508 HydrophobicContact CG2-CE 4.34Å; F503-M508 HydrophobicContact CE1-CE 3.63Å; F503-M508 HydrophobicContact CE1-CG 4.31Å; F503-M508 HydrophobicContact CZ-CE 4.09Å; N504-M508 HydrophobicContact CB-CB 4.34Å; N504-M508 CarbonylContact O-C 3.6Å; N504-M508 VanDerWaalsContact O-C 3.27Å; N504-M508 VanDerWaalsContact O-CA 3.3Å; N504-M508 WeakPolarHBondContact O-CA 3.23Å; N504-M508 VanDerWaalsContact O-CB 3.28Å; N504-M508 WeakPolarHBondContact O-CB 3.44Å; N504-M508 PolarHBondContact O-N 2.78Å; M508-N510 PolarHBondContact O-N 2.78Å; M508-L545 HydrophobicContact CE-CD1 3.9Å; M508-L545 HydrophobicContact SD-CD1 3.59Å; M508-L545 VanDerWaalsContact SD-CD1 3.59Å
509	Q	66.5	Low	73.9	Confident	131 Å²	131	67.6 Å²	67.6	61%	0.612	35%	0.347	S	S	*	.			trans	-63	97.3	-179	-115.9	176.9	27.2	0	0	110.4	N504 Q505 T511	N504-Q509 PolarHBondContact O-N 2.86Å; Q505-Q509 WeakPolarHBondContact O-CB 3.22Å; Q505-Q509 WeakPolarHBondContact O-CG 3.46Å; Q505-Q509 PolarHBondContact O-NE2 3.43Å; Q509-T511 PolarHBondContact O-N 3.16Å
510	N	50.4	Low	73.6	Confident	56 Å²	56	69.4 Å²	69.4	30%	0.299	36%	0.357	S	S	.	.			trans	-68.9	107.7	154.6	-75.3	-6.2	0	0	0	105.7	M508 L512 H518	M508-N510 PolarHBondContact O-N 2.78Å; N510-L512 PolarHBondContact O-N 3.13Å; N510-H518 PolarHBondContact OD1-CE1 3.38Å
511	T	48.5	Very low	73.6	Confident	76 Å²	76	68.8 Å²	68.8	47%	0.466	35%	0.352	S	S	.	.			trans	-50.2	107.4	173.8	26.6	0	0	0	0	109.4	Q509 N513	Q509-T511 PolarHBondContact O-N 3.16Å; T511-N513 PolarHBondContact O-N 2.86Å; T511-N513 VanDerWaalsContact O-N 3.1Å
512	L	45.6	Very low	73.7	Confident	169 Å²	169	63.5 Å²	63.5	89%	0.885	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.6	-175.2	-69.8	174.8	0	0	0	113.7	N510	N510-L512 PolarHBondContact O-N 3.13Å
513	N	47.7	Very low	73.7	Confident	148 Å²	148	65 Å²	65	79%	0.791	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-4.2	-163.6	-66.1	-5.5	0	0	0	115.7	T511	T511-N513 PolarHBondContact O-N 2.86Å; T511-N513 VanDerWaalsContact O-N 3.1Å
514	H	47.9	Very low	73.9	Confident	160 Å²	160	69.4 Å²	69.4	74%	0.741	36%	0.355	S	S	*	.	S	Bend	trans	-136.3	154.3	169.3	-91.2	-81.6	0	0	0	107.5	A516	H514-A516 WeakPolarHBondContact O-CA 3.38Å; H514-A516 PolarHBondContact O-N 2.98Å
515	E	58.1	Low	74.3	Confident	89 Å²	89	67 Å²	67	42%	0.416	34%	0.342	S	S	.	.	S	Bend	trans	-45.2	110.3	165.2	-173.5	173.9	-158.7	0	0	106.5	D517 I519 R523	E515-D517 PolarHBondContact O-N 2.76Å; E515-I519 HydrophobicContact CG-CB 3.9Å; E515-I519 HydrophobicContact CG-CG2 3.72Å; E515-I519 WeakPolarHBondContact OE1-CG2 3.46Å; E515-R523 IonicContact OE1-CZ 2.67Å; E515-R523 IonicContact OE1-NE 3.62Å; E515-R523 PolarHBondContact OE1-NE 2.83Å; E515-R523 IonicContact OE1-NH2 2.96Å; E515-R523 PolarHBondContact OE1-NH2 2.85Å
516	A	71	Confident	74.7	Confident	9 Å²	9	68.6 Å²	68.6	7%	0.074	35%	0.349	C	S	.	.			trans	-61.6	136.6	-161.7	0	0	0	0	0	107.4	H514 H518 I519 T520	H514-A516 WeakPolarHBondContact O-CA 3.38Å; H514-A516 PolarHBondContact O-N 2.98Å; A516-H518 WeakPolarHBondContact CB-CE1 3.46Å; A516-H518 WeakPolarHBondContact CB-ND1 3.47Å; A516-H518 CarbonylContact O-C 3.6Å; A516-H518 PolarHBondContact O-N 2.74Å; A516-I519 HydrophobicContact CB-CG1 4.48Å; A516-I519 WeakPolarHBondContact O-CA 3.24Å; A516-I519 WeakPolarHBondContact O-CB 3.47Å; A516-I519 PolarHBondContact O-N 2.81Å; A516-T520 PolarHBondContact O-N 3.35Å
517	D	80	Confident	75.1	Confident	96 Å²	96	70.6 Å²	70.6	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-47.2	-32.9	-169.1	177.6	46.3	0	0	0	113.2	E515 T520 F521 K569	E515-D517 PolarHBondContact O-N 2.76Å; D517-T520 PolarHBondContact O-N 3.19Å; D517-F521 WeakPolarHBondContact O-CB 3.28Å; D517-F521 PolarHBondContact O-N 3.46Å; D517-K569 VanDerWaalsContact OD2-CE 3.3Å; D517-K569 WeakPolarHBondContact OD2-CE 3.11Å; D517-K569 IonicContact OD2-NZ 3.61Å; D517-K569 PolarHBondContact OD2-NZ 2.84Å
518	H	80.6	Confident	75.8	Confident	10 Å²	10	70.2 Å²	70.2	5%	0.046	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-37.3	173.8	62.5	-97	0	0	0	114.5	N510 A516 F521 L522 F546 V669	N510-H518 PolarHBondContact OD1-CE1 3.38Å; A516-H518 WeakPolarHBondContact CB-CE1 3.46Å; A516-H518 WeakPolarHBondContact CB-ND1 3.47Å; A516-H518 CarbonylContact O-C 3.6Å; A516-H518 PolarHBondContact O-N 2.74Å; H518-F521 WeakPolarHBondContact O-CB 3.43Å; H518-F521 PolarHBondContact O-N 3.23Å; H518-L522 VanDerWaalsContact O-CG 3.28Å; H518-L522 WeakPolarHBondContact O-CG 3.43Å; H518-L522 PolarHBondContact O-N 2.88Å; H518-F546 HydrophobicContact CB-CD2 4.15Å; H518-V669 HydrophobicContact CB-CG2 3.86Å
519	I	87.8	Confident	76.8	Confident	3 Å²	3	69 Å²	69	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-46.7	174.9	-60	-61.7	0	0	0	109.9	E515 A516 F521 L522 R523 V533 L536 L544	E515-I519 HydrophobicContact CG-CB 3.9Å; E515-I519 HydrophobicContact CG-CG2 3.72Å; E515-I519 WeakPolarHBondContact OE1-CG2 3.46Å; A516-I519 HydrophobicContact CB-CG1 4.48Å; A516-I519 WeakPolarHBondContact O-CA 3.24Å; A516-I519 WeakPolarHBondContact O-CB 3.47Å; A516-I519 PolarHBondContact O-N 2.81Å; I519-F521 VanDerWaalsContact C-N 3.29Å; I519-F521 PolarHBondContact O-N 2.9Å; I519-L522 WeakPolarHBondContact O-CB 3.36Å; I519-L522 PolarHBondContact O-N 3.35Å; I519-L522 VanDerWaalsContact O-N 3.13Å; I519-R523 PolarHBondContact O-N 2.85Å; I519-R523 VanDerWaalsContact O-N 3.16Å; I519-V533 HydrophobicContact CG2-CG1 3.76Å; I519-L536 HydrophobicContact CD1-CB 3.84Å; I519-L544 HydrophobicContact CD1-CD2 3.72Å
520	T	88.8	Confident	78	Confident	65 Å²	65	69.7 Å²	69.7	40%	0.399	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-44.3	175.4	-54	0	0	0	0	110.7	A516 D517 R523	A516-T520 PolarHBondContact O-N 3.35Å; D517-T520 PolarHBondContact O-N 3.19Å; T520-R523 WeakPolarHBondContact O-CB 3.33Å; T520-R523 PolarHBondContact O-N 2.85Å
521	F	90.9	Very high	80	Confident	27 Å²	27	71.6 Å²	71.6	12%	0.118	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-45.5	173.3	167.8	-105.2	0	0	0	112.4	D517 H518 I519 R523 T524 I525 I567 V568 K569 V669	D517-F521 WeakPolarHBondContact O-CB 3.28Å; D517-F521 PolarHBondContact O-N 3.46Å; H518-F521 WeakPolarHBondContact O-CB 3.43Å; H518-F521 PolarHBondContact O-N 3.23Å; I519-F521 VanDerWaalsContact C-N 3.29Å; I519-F521 PolarHBondContact O-N 2.9Å; F521-R523 PolarHBondContact O-N 3.04Å; F521-T524 WeakPolarHBondContact O-CB 3.29Å; F521-T524 PolarHBondContact O-N 3.02Å; F521-T524 PolarHBondContact O-OG1 2.71Å; F521-I525 HydrophobicContact CE1-CD1 4.36Å; F521-I525 HydrophobicContact CE1-CG1 4.41Å; F521-I525 HydrophobicContact CE2-CD1 3.96Å; F521-I525 HydrophobicContact CZ-CD1 3.76Å; F521-I525 HydrophobicContact CZ-CG1 4.3Å; F521-I567 HydrophobicContact CE1-CG2 3.59Å; F521-I567 HydrophobicContact CZ-CG2 3.87Å; F521-V568 WeakPolarHBondContact CZ-O 3.4Å; F521-K569 HydrophobicContact CD1-CB 4.2Å; F521-K569 HydrophobicContact CD1-CG 3.95Å; F521-K569 HydrophobicContact CD2-CG 4.12Å; F521-K569 HydrophobicContact CE1-CB 3.8Å; F521-K569 HydrophobicContact CE1-CG 3.98Å; F521-K569 HydrophobicContact CE2-CG 4.16Å; F521-K569 HydrophobicContact CG-CG 4.02Å; F521-K569 VanDerWaalsContact CZ-CA 3.49Å; F521-K569 HydrophobicContact CZ-CB 3.98Å; F521-K569 HydrophobicContact CZ-CG 4.1Å; F521-V669 HydrophobicContact CD1-CG2 4.07Å; F521-V669 HydrophobicContact CE1-CG2 4.27Å
522	L	93.2	Very high	82.2	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-59.8	-31.6	178.9	-74.9	178	0	0	0	112.9	H518 I519 T524 I525 V533 L536 L544 I567 V669 I671	H518-L522 VanDerWaalsContact O-CG 3.28Å; H518-L522 WeakPolarHBondContact O-CG 3.43Å; H518-L522 PolarHBondContact O-N 2.88Å; I519-L522 WeakPolarHBondContact O-CB 3.36Å; I519-L522 PolarHBondContact O-N 3.35Å; I519-L522 VanDerWaalsContact O-N 3.13Å; L522-T524 PolarHBondContact O-N 2.74Å; L522-I525 PolarHBondContact O-N 3.15Å; L522-V533 HydrophobicContact CB-CG1 4.22Å; L522-V533 HydrophobicContact CB-CG2 4.07Å; L522-L536 HydrophobicContact CD1-CD1 3.55Å; L522-L544 HydrophobicContact CD1-CD1 4.24Å; L522-I567 HydrophobicContact CD2-CB 4.47Å; L522-I567 HydrophobicContact CD2-CD1 4.09Å; L522-I567 HydrophobicContact CD2-CG1 4.15Å; L522-V669 HydrophobicContact CD1-CG1 3.88Å; L522-V669 HydrophobicContact CD2-CB 4.22Å; L522-V669 HydrophobicContact CD2-CG1 3.9Å; L522-V669 HydrophobicContact CG-CG1 4.06Å; L522-I671 HydrophobicContact CD1-CD1 4.1Å; L522-I671 HydrophobicContact CD2-CD1 4.13Å
523	R	93	Very high	84.4	Confident	85 Å²	85	60 Å²	60	32%	0.321	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.4	174.8	-63.3	-176.4	-174.5	-71.2	-0.6	113.5	E515 I519 T520 F521 I525 V533 N534	E515-R523 IonicContact OE1-CZ 2.67Å; E515-R523 IonicContact OE1-NE 3.62Å; E515-R523 PolarHBondContact OE1-NE 2.83Å; E515-R523 IonicContact OE1-NH2 2.96Å; E515-R523 PolarHBondContact OE1-NH2 2.85Å; I519-R523 PolarHBondContact O-N 2.85Å; I519-R523 VanDerWaalsContact O-N 3.16Å; T520-R523 WeakPolarHBondContact O-CB 3.33Å; T520-R523 PolarHBondContact O-N 2.85Å; F521-R523 PolarHBondContact O-N 3.04Å; R523-I525 VanDerWaalsContact C-N 3.33Å; R523-V533 HydrophobicContact CG-CG1 3.76Å; R523-N534 PolarHBondContact NH1-OD1 2.97Å; R523-N534 PolarHBondContact NH2-OD1 2.73Å
524	T	93.6	Very high	86.5	Confident	97 Å²	97	57 Å²	57	60%	0.595	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.8	177.9	74.1	0	0	0	0	112.8	F521 L522 Q526	F521-T524 WeakPolarHBondContact O-CB 3.29Å; F521-T524 PolarHBondContact O-N 3.02Å; F521-T524 PolarHBondContact O-OG1 2.71Å; L522-T524 PolarHBondContact O-N 2.74Å; T524-Q526 PolarHBondContact O-N 3.17Å
525	I	95	Very high	88.6	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.036	27%	0.265	C	S	.	.			trans	-87.2	112.1	-173	-52.7	-58.4	0	0	0	110.5	F521 L522 R523 F527 I528 I567 V642	F521-I525 HydrophobicContact CE1-CD1 4.36Å; F521-I525 HydrophobicContact CE1-CG1 4.41Å; F521-I525 HydrophobicContact CE2-CD1 3.96Å; F521-I525 HydrophobicContact CZ-CD1 3.76Å; F521-I525 HydrophobicContact CZ-CG1 4.3Å; L522-I525 PolarHBondContact O-N 3.15Å; R523-I525 VanDerWaalsContact C-N 3.33Å; I525-F527 HydrophobicContact CG2-CB 4.4Å; I525-F527 PolarHBondContact O-N 3.09Å; I525-F527 VanDerWaalsContact O-N 3.15Å; I525-I528 HydrophobicContact CB-CB 4.41Å; I525-I528 HydrophobicContact CB-CG1 4.13Å; I525-I528 HydrophobicContact CG2-CB 4.5Å; I525-I528 HydrophobicContact CG2-CG1 3.86Å; I525-I528 PolarHBondContact O-N 3.49Å; I525-I567 HydrophobicContact CD1-CG2 4.24Å; I525-I567 HydrophobicContact CG1-CG2 4.07Å; I525-V642 HydrophobicContact CG2-CG2 3.65Å
526	Q	92.7	Very high	90.1	Very high	141 Å²	141	50 Å²	50	66%	0.659	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.3	-178.6	-173.2	-177.8	7.5	0	0	113.6	T524 I528 W687	T524-Q526 PolarHBondContact O-N 3.17Å; Q526-I528 VanDerWaalsContact C-N 3.28Å; Q526-I528 PolarHBondContact O-N 3.47Å; Q526-W687 HydrophobicContact CG-CH2 3.98Å; Q526-W687 HydrophobicContact CG-CZ2 4.37Å
527	F	93.7	Very high	90.7	Very high	68 Å²	68	53.9 Å²	53.9	30%	0.298	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3	-179	-68.3	-75.8	0	0	0	114.2	I525 V642 L645 F684 W687 L688 K691 V692	I525-F527 HydrophobicContact CG2-CB 4.4Å; I525-F527 PolarHBondContact O-N 3.09Å; I525-F527 VanDerWaalsContact O-N 3.15Å; F527-V642 HydrophobicContact CB-CG2 4.15Å; F527-L645 HydrophobicContact CB-CD1 3.63Å; F527-L645 HydrophobicContact CD1-CD1 4.23Å; F527-L645 HydrophobicContact CG-CD1 4.13Å; F527-F684 WeakPolarHBondContact O-CE1 3.5Å; F527-F684 WeakPolarHBondContact O-CZ 3.45Å; F527-W687 HydrophobicContact CD1-CH2 4.04Å; F527-W687 HydrophobicContact CD1-CZ3 4.07Å; F527-W687 HydrophobicContact CE1-CH2 4.14Å; F527-W687 HydrophobicContact CE1-CZ3 4.48Å; F527-L688 HydrophobicContact CD1-CD2 3.82Å; F527-K691 HydrophobicContact CE1-CB 4.27Å; F527-V692 HydrophobicContact CE1-CG2 4.45Å
528	I	94.5	Very high	90.7	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.036	29%	0.285	C	S	.	.	S	Bend	trans	-113.1	117.6	174.7	-54.6	-59.9	0	0	0	108.9	I525 Q526 V533 I567 I671 F676	I525-I528 HydrophobicContact CB-CB 4.41Å; I525-I528 HydrophobicContact CB-CG1 4.13Å; I525-I528 HydrophobicContact CG2-CB 4.5Å; I525-I528 HydrophobicContact CG2-CG1 3.86Å; I525-I528 PolarHBondContact O-N 3.49Å; Q526-I528 VanDerWaalsContact C-N 3.28Å; Q526-I528 PolarHBondContact O-N 3.47Å; I528-V533 HydrophobicContact CG2-CG2 3.61Å; I528-I567 HydrophobicContact CD1-CD1 4.3Å; I528-I567 HydrophobicContact CD1-CG1 4.4Å; I528-I567 HydrophobicContact CG1-CG1 4.4Å; I528-I671 HydrophobicContact CD1-CD1 4.21Å; I528-I671 HydrophobicContact CG2-CD1 4.28Å; I528-F676 HydrophobicContact CD1-CD2 4.44Å; I528-F676 HydrophobicContact CD1-CE2 3.76Å
529	P	93.4	Very high	90.9	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.039	29%	0.29	C	S	.	.			trans	-73	142.6	-177.3	29.7	-32	0	0	0	110.7	Q531 V532 V533 F684	P529-Q531 PolarHBondContact O-N 3.3Å; P529-Q531 VanDerWaalsContact O-N 3.09Å; P529-V532 HydrophobicContact CG-CB 4.03Å; P529-V532 HydrophobicContact CG-CG2 3.57Å; P529-V532 PolarHBondContact O-N 3.43Å; P529-V533 PolarHBondContact O-N 2.88Å; P529-F684 HydrophobicContact CB-CD1 4.17Å; P529-F684 HydrophobicContact CB-CD2 4.01Å; P529-F684 HydrophobicContact CB-CE1 4.21Å; P529-F684 HydrophobicContact CB-CE2 4.06Å; P529-F684 HydrophobicContact CB-CG 4.05Å; P529-F684 HydrophobicContact CB-CZ 4.15Å; P529-F684 HydrophobicContact CG-CD1 3.97Å; P529-F684 HydrophobicContact CG-CE1 3.97Å; P529-F684 HydrophobicContact CG-CG 4.31Å; P529-F684 HydrophobicContact CG-CZ 4.33Å
530	K	91.8	Very high	90.6	Very high	144 Å²	144	58.3 Å²	58.3	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-55.3	-32.3	-179.2	-65.2	-178.4	179.9	-179.7	0	112.8	V533 N534	K530-V533 PolarHBondContact O-N 3.27Å; K530-N534 PolarHBondContact O-N 2.84Å; K530-N534 PolarHBondContact O-ND2 3.28Å; K530-N534 PolarHBondContact O-OD1 3.14Å
531	Q	92.5	Very high	90.1	Very high	97 Å²	97	58.8 Å²	58.8	45%	0.453	32%	0.317	S	S	.	.	H	α-helix	trans	-59.3	-47.6	176.2	-65.4	82.9	-13.8	0	0	111.2	P529 N534 H535	P529-Q531 PolarHBondContact O-N 3.3Å; P529-Q531 VanDerWaalsContact O-N 3.09Å; Q531-N534 PolarHBondContact O-N 2.97Å; Q531-H535 PolarHBondContact O-ND1 2.74Å
532	V	94.5	Very high	89.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-47	176.8	171.1	0	0	0	0	109.6	P529 N534 H535 L536 F675 F676 H679 C680	P529-V532 HydrophobicContact CG-CB 4.03Å; P529-V532 HydrophobicContact CG-CG2 3.57Å; P529-V532 PolarHBondContact O-N 3.43Å; V532-N534 VanDerWaalsContact C-N 3.27Å; V532-N534 PolarHBondContact O-N 2.97Å; V532-H535 PolarHBondContact O-N 3.46Å; V532-L536 HydrophobicContact CG1-CD1 4.42Å; V532-L536 WeakPolarHBondContact O-CG 3.34Å; V532-L536 PolarHBondContact O-N 2.78Å; V532-F675 HydrophobicContact CG1-CE1 4.27Å; V532-F676 HydrophobicContact CG1-CD2 4.01Å; V532-F676 HydrophobicContact CG2-CD2 4.22Å; V532-F676 HydrophobicContact CG2-CE2 4.42Å; V532-H679 HydrophobicContact CG2-CB 4.01Å; V532-C680 HydrophobicContact CG2-CB 4.15Å
533	V	92.7	Very high	89.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-37.9	-179.5	-173	0	0	0	0	112.6	I519 L522 R523 I528 P529 K530 H535 L536	I519-V533 HydrophobicContact CG2-CG1 3.76Å; L522-V533 HydrophobicContact CB-CG1 4.22Å; L522-V533 HydrophobicContact CB-CG2 4.07Å; R523-V533 HydrophobicContact CG-CG1 3.76Å; I528-V533 HydrophobicContact CG2-CG2 3.61Å; P529-V533 PolarHBondContact O-N 2.88Å; K530-V533 PolarHBondContact O-N 3.27Å; V533-H535 PolarHBondContact O-N 3.1Å; V533-L536 WeakPolarHBondContact O-CB 3.32Å; V533-L536 PolarHBondContact O-N 3.29Å; V533-L536 VanDerWaalsContact O-N 3.13Å
534	N	91.5	Very high	89.4	Confident	86 Å²	86	59.5 Å²	59.5	46%	0.46	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-28.7	178.6	-67.9	-13.8	0	0	0	113.4	R523 K530 Q531 V532	R523-N534 PolarHBondContact NH1-OD1 2.97Å; R523-N534 PolarHBondContact NH2-OD1 2.73Å; K530-N534 PolarHBondContact O-N 2.84Å; K530-N534 PolarHBondContact O-ND2 3.28Å; K530-N534 PolarHBondContact O-OD1 3.14Å; Q531-N534 PolarHBondContact O-N 2.97Å; V532-N534 VanDerWaalsContact C-N 3.27Å; V532-N534 PolarHBondContact O-N 2.97Å
535	H	91.7	Very high	89	Confident	100 Å²	100	55 Å²	55	46%	0.463	30%	0.303	S	S	.	.	H	α-helix	trans	-88.6	-4.7	178.3	-63	85.3	0	0	0	112.8	Q531 V532 V533 N537 V539 F675 H679	Q531-H535 PolarHBondContact O-ND1 2.74Å; V532-H535 PolarHBondContact O-N 3.46Å; V533-H535 PolarHBondContact O-N 3.1Å; H535-N537 VanDerWaalsContact C-N 3.34Å; H535-V539 WeakPolarHBondContact O-CG1 3.3Å; H535-F675 HydrophobicContact CB-CE1 4.42Å; H535-F675 HydrophobicContact CB-CZ 3.71Å; H535-F675 WeakPolarHBondContact O-CZ 3.3Å; H535-H679 AromaticContact CD2-CD2 3.54Å; H535-H679 AromaticContact CD2-NE2 3.92Å; H535-H679 AromaticContact CG-CD2 3.48Å; H535-H679 VanDerWaalsContact CG-CD2 3.48Å; H535-H679 AromaticContact ND1-CD2 3.87Å; H535-H679 AromaticContact NE2-CD2 4Å
536	L	89.8	Confident	88.5	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.8	178.7	-70.4	176	0	0	0	113.6	I519 L522 V532 V533 G538 V539 I543 L544 I671 F675	I519-L536 HydrophobicContact CD1-CB 3.84Å; L522-L536 HydrophobicContact CD1-CD1 3.55Å; V532-L536 HydrophobicContact CG1-CD1 4.42Å; V532-L536 WeakPolarHBondContact O-CG 3.34Å; V532-L536 PolarHBondContact O-N 2.78Å; V533-L536 WeakPolarHBondContact O-CB 3.32Å; V533-L536 PolarHBondContact O-N 3.29Å; V533-L536 VanDerWaalsContact O-N 3.13Å; L536-G538 PolarHBondContact O-N 3.29Å; L536-V539 HydrophobicContact CD2-CG2 4.3Å; L536-V539 WeakPolarHBondContact O-CG2 3.45Å; L536-I543 HydrophobicContact CD2-CG2 4.08Å; L536-L544 HydrophobicContact CB-CD2 4.25Å; L536-L544 HydrophobicContact CD1-CD1 4.2Å; L536-L544 HydrophobicContact CD2-CB 4.26Å; L536-L544 HydrophobicContact CD2-CD1 4.29Å; L536-I671 HydrophobicContact CD1-CD1 3.95Å; L536-I671 HydrophobicContact CD1-CG1 4.27Å; L536-I671 HydrophobicContact CD2-CG2 4.36Å; L536-F675 HydrophobicContact CD2-CD1 3.9Å; L536-F675 HydrophobicContact CD2-CE1 3.35Å; L536-F675 HydrophobicContact CD2-CZ 4.03Å; L536-F675 HydrophobicContact CG-CE1 4.02Å
537	N	83.6	Confident	88	Confident	91 Å²	91	49.9 Å²	49.9	49%	0.487	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	121.3	179.8	-77.2	-19.6	0	0	0	111.1	H535 V539	H535-N537 VanDerWaalsContact C-N 3.34Å; N537-V539 VanDerWaalsContact C-N 3.26Å; N537-V539 PolarHBondContact O-N 3.37Å
538	G	79.6	Confident	87.4	Confident	89 Å²	89	48.6 Å²	48.6	92%	0.918	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	10	175.5	0	0	0	0	0	115.3	L536	L536-G538 PolarHBondContact O-N 3.29Å
539	V	83.9	Confident	86.9	Confident	27 Å²	27	48.5 Å²	48.5	16%	0.164	27%	0.273	C	S	.	.			trans	-71.2	159.1	173.8	-55.7	0	0	0	0	111.2	H535 L536 N537 I543 L544	H535-V539 WeakPolarHBondContact O-CG1 3.3Å; L536-V539 HydrophobicContact CD2-CG2 4.3Å; L536-V539 WeakPolarHBondContact O-CG2 3.45Å; N537-V539 VanDerWaalsContact C-N 3.26Å; N537-V539 PolarHBondContact O-N 3.37Å; V539-I543 HydrophobicContact CB-CB 4.04Å; V539-I543 HydrophobicContact CB-CD1 4.13Å; V539-I543 HydrophobicContact CB-CG2 4.03Å; V539-I543 HydrophobicContact CG1-CD1 4.4Å; V539-I543 HydrophobicContact CG1-CG2 4.32Å; V539-I543 HydrophobicContact CG2-CB 3.95Å; V539-I543 HydrophobicContact CG2-CG2 3.77Å; V539-L544 HydrophobicContact CG2-CB 3.44Å; V539-L544 VanDerWaalsContact CG2-CB 3.44Å; V539-L544 HydrophobicContact CG2-CD2 4.3Å
540	D	81.8	Confident	86	Confident	85 Å²	85	49.3 Å²	49.3	46%	0.455	28%	0.275	S	S	.	.			trans	-78.9	173.1	179.6	71.8	13.5	0	0	0	113	T542 I543 L544	D540-T542 VanDerWaalsContact CG-OG1 3.26Å; D540-T542 PolarHBondContact O-N 3.28Å; D540-T542 VanDerWaalsContact O-N 3.15Å; D540-T542 WeakPolarHBondContact OD1-CA 3.38Å; D540-T542 WeakPolarHBondContact OD1-CB 3.49Å; D540-T542 PolarHBondContact OD1-N 2.8Å; D540-T542 PolarHBondContact OD1-OG1 3.04Å; D540-T542 PolarHBondContact OD2-OG1 3.47Å; D540-I543 PolarHBondContact O-N 3.13Å; D540-I543 VanDerWaalsContact O-N 3.17Å; D540-I543 PolarHBondContact OD1-N 2.72Å; D540-L544 PolarHBondContact O-N 3.38Å
541	S	79.8	Confident	85.6	Confident	75 Å²	75	47.9 Å²	47.9	52%	0.524	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.5	178.9	58.9	0	0	0	0	114.5	L544 W564	S541-L544 WeakPolarHBondContact CA-O 3.23Å; S541-W564 WeakPolarHBondContact O-CH2 3.37Å
542	T	83.3	Confident	85.1	Confident	82 Å²	82	48.1 Å²	48.1	50%	0.503	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.9	174.9	77.8	0	0	0	0	112.2	D540 W564 N672	D540-T542 VanDerWaalsContact CG-OG1 3.26Å; D540-T542 PolarHBondContact O-N 3.28Å; D540-T542 VanDerWaalsContact O-N 3.15Å; D540-T542 WeakPolarHBondContact OD1-CA 3.38Å; D540-T542 WeakPolarHBondContact OD1-CB 3.49Å; D540-T542 PolarHBondContact OD1-N 2.8Å; D540-T542 PolarHBondContact OD1-OG1 3.04Å; D540-T542 PolarHBondContact OD2-OG1 3.47Å; T542-W564 VanDerWaalsContact O-CH2 3.29Å; T542-W564 WeakPolarHBondContact O-CH2 3.47Å; T542-N672 PolarHBondContact O-ND2 3.38Å
543	I	88.7	Confident	84.6	Confident	41 Å²	41	49 Å²	49	21%	0.21	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-47.8	178.1	-65.7	169.1	0	0	0	111.1	L536 V539 D540 N672 F675	L536-I543 HydrophobicContact CD2-CG2 4.08Å; V539-I543 HydrophobicContact CB-CB 4.04Å; V539-I543 HydrophobicContact CB-CD1 4.13Å; V539-I543 HydrophobicContact CB-CG2 4.03Å; V539-I543 HydrophobicContact CG1-CD1 4.4Å; V539-I543 HydrophobicContact CG1-CG2 4.32Å; V539-I543 HydrophobicContact CG2-CB 3.95Å; V539-I543 HydrophobicContact CG2-CG2 3.77Å; D540-I543 PolarHBondContact O-N 3.13Å; D540-I543 VanDerWaalsContact O-N 3.17Å; D540-I543 PolarHBondContact OD1-N 2.72Å; I543-N672 PolarHBondContact O-N 2.85Å; I543-F675 HydrophobicContact CD1-CD2 4.11Å; I543-F675 HydrophobicContact CD1-CE2 4.37Å; I543-F675 HydrophobicContact CG1-CD2 4.32Å; I543-F675 HydrophobicContact CG2-CB 3.98Å; I543-F675 HydrophobicContact CG2-CD1 3.74Å; I543-F675 HydrophobicContact CG2-CD2 3.53Å; I543-F675 HydrophobicContact CG2-CE1 4.08Å; I543-F675 HydrophobicContact CG2-CE2 3.86Å; I543-F675 HydrophobicContact CG2-CG 3.45Å; I543-F675 VanDerWaalsContact CG2-CG 3.45Å; I543-F675 HydrophobicContact CG2-CZ 4.12Å
544	L	88.7	Confident	84.5	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.4	-176.8	-177.7	67.1	0	0	0	110.6	I519 L522 L536 V539 D540 S541 V669 I671	I519-L544 HydrophobicContact CD1-CD2 3.72Å; L522-L544 HydrophobicContact CD1-CD1 4.24Å; L536-L544 HydrophobicContact CB-CD2 4.25Å; L536-L544 HydrophobicContact CD1-CD1 4.2Å; L536-L544 HydrophobicContact CD2-CB 4.26Å; L536-L544 HydrophobicContact CD2-CD1 4.29Å; V539-L544 HydrophobicContact CG2-CB 3.44Å; V539-L544 VanDerWaalsContact CG2-CB 3.44Å; V539-L544 HydrophobicContact CG2-CD2 4.3Å; D540-L544 PolarHBondContact O-N 3.38Å; S541-L544 WeakPolarHBondContact CA-O 3.23Å; L544-V669 HydrophobicContact CD1-CG1 3.67Å; L544-I671 HydrophobicContact CD1-CG1 4.01Å
545	L	85.7	Confident	84.4	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.6	-178.3	171.4	69.5	0	0	0	109.7	I478 Y479 M508 T547 W564 V669 A670	I478-L545 HydrophobicContact CG2-CD1 3.91Å; I478-L545 HydrophobicContact CG2-CD2 3.29Å; I478-L545 HydrophobicContact CG2-CG 4.1Å; Y479-L545 HydrophobicContact CD1-CD2 4.01Å; Y479-L545 HydrophobicContact CE1-CD2 3.93Å; M508-L545 HydrophobicContact CE-CD1 3.9Å; M508-L545 HydrophobicContact SD-CD1 3.59Å; M508-L545 VanDerWaalsContact SD-CD1 3.59Å; L545-T547 HydrophobicContact CD2-CG2 4.11Å; L545-T547 HydrophobicContact CG-CG2 4.13Å; L545-W564 HydrophobicContact CB-CH2 3.94Å; L545-W564 HydrophobicContact CB-CZ3 3.84Å; L545-V669 CarbonylContact O-C 3.52Å; L545-V669 WeakPolarHBondContact O-CA 3.19Å; L545-A670 HydrophobicContact CB-CB 4.21Å; L545-A670 HydrophobicContact CD2-CB 4.37Å; L545-A670 PolarHBondContact N-O 3.36Å; L545-A670 PolarHBondContact O-N 3.08Å
546	F	84.5	Confident	84.3	Confident	38 Å²	38	44.3 Å²	44.3	17%	0.167	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.2	168.6	176.9	-109.9	0	0	0	108.5	H518 K569 E667 V669	H518-F546 HydrophobicContact CB-CD2 4.15Å; F546-K569 HydrophobicContact CE2-CD 3.79Å; F546-K569 HydrophobicContact CZ-CD 4.32Å; F546-E667 HydrophobicContact CE2-CB 4.34Å; F546-E667 HydrophobicContact CZ-CB 4.48Å; F546-V669 HydrophobicContact CD2-CG2 3.93Å; F546-V669 HydrophobicContact CE2-CG2 4.47Å
547	T	81.6	Confident	84.3	Confident	3 Å²	3	50 Å²	50	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	149.1	-174.3	-171.1	0	0	0	0	112.5	I478 L545 F549 C668	I478-T547 HydrophobicContact CG2-CG2 4.16Å; L545-T547 HydrophobicContact CD2-CG2 4.11Å; L545-T547 HydrophobicContact CG-CG2 4.13Å; T547-F549 HydrophobicContact CG2-CD1 4.45Å; T547-F549 HydrophobicContact CG2-CD2 3.95Å; T547-F549 HydrophobicContact CG2-CE1 3.9Å; T547-F549 HydrophobicContact CG2-CE2 3.34Å; T547-F549 HydrophobicContact CG2-CG 4.48Å; T547-F549 HydrophobicContact CG2-CZ 3.31Å; T547-C668 PolarHBondContact N-O 3.27Å; T547-C668 PolarHBondContact O-N 3.3Å
548	F	82.5	Confident	84.6	Confident	42 Å²	42	47.3 Å²	47.3	18%	0.184	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122	168.8	179.1	-95.5	0	0	0	110.3	E402 F403 R550 E667	E402-F548 HydrophobicContact CB-CZ 4.17Å; F403-F548 HydrophobicContact CD1-CD1 4.15Å; F403-F548 HydrophobicContact CD1-CE1 4.37Å; F403-F548 HydrophobicContact CE1-CB 4.33Å; F403-F548 AromaticContact CE1-CD1 3.3Å; F403-F548 HydrophobicContact CE1-CD1 3.3Å; F403-F548 AromaticContact CE1-CE1 3.71Å; F403-F548 HydrophobicContact CE1-CE1 3.71Å; F403-F548 AromaticContact CE1-CG 3.95Å; F403-F548 HydrophobicContact CE1-CG 3.95Å; F403-F548 AromaticContact CZ-CD1 3.92Å; F403-F548 HydrophobicContact CZ-CD1 3.92Å; F403-F548 HydrophobicContact CZ-CE1 4.12Å; F548-R550 HydrophobicContact CD1-CG 4.24Å; F548-R550 HydrophobicContact CE1-CB 4.45Å; F548-R550 HydrophobicContact CE1-CG 3.87Å; F548-E667 HydrophobicContact CB-CG 4.41Å; F548-E667 HydrophobicContact CD2-CG 3.68Å
549	F	83.4	Confident	85.2	Confident	5 Å²	5	43.1 Å²	43.1	2%	0.022	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.5	171.1	-63.7	-71.9	0	0	0	110.2	Y479 T547 I555 Y566 S663 G665 A666 C668	Y479-F549 WeakPolarHBondContact OH-CE1 3.45Å; Y479-F549 WeakPolarHBondContact OH-CZ 3.29Å; T547-F549 HydrophobicContact CG2-CD1 4.45Å; T547-F549 HydrophobicContact CG2-CD2 3.95Å; T547-F549 HydrophobicContact CG2-CE1 3.9Å; T547-F549 HydrophobicContact CG2-CE2 3.34Å; T547-F549 HydrophobicContact CG2-CG 4.48Å; T547-F549 HydrophobicContact CG2-CZ 3.31Å; F549-I555 HydrophobicContact CB-CD1 3.99Å; F549-I555 HydrophobicContact CB-CG1 4.14Å; F549-I555 HydrophobicContact CD1-CD1 4.27Å; F549-I555 HydrophobicContact CD1-CG1 3.82Å; F549-I555 HydrophobicContact CD2-CD1 3.44Å; F549-I555 VanDerWaalsContact CD2-CD1 3.44Å; F549-I555 HydrophobicContact CD2-CG1 3.94Å; F549-I555 HydrophobicContact CE1-CG1 4.14Å; F549-I555 HydrophobicContact CE1-CG2 4.14Å; F549-I555 HydrophobicContact CE2-CD1 3.86Å; F549-I555 HydrophobicContact CE2-CG1 4.22Å; F549-I555 HydrophobicContact CE2-CG2 4.06Å; F549-I555 HydrophobicContact CG-CD1 3.65Å; F549-I555 HydrophobicContact CG-CG1 3.71Å; F549-I555 HydrophobicContact CZ-CD1 4.45Å; F549-I555 HydrophobicContact CZ-CG1 4.32Å; F549-I555 HydrophobicContact CZ-CG2 3.81Å; F549-Y566 HydrophobicContact CE2-CD1 4.07Å; F549-Y566 HydrophobicContact CE2-CE1 4.05Å; F549-Y566 HydrophobicContact CZ-CD1 4.41Å; F549-Y566 AromaticContact CZ-CE1 3.91Å; F549-Y566 HydrophobicContact CZ-CE1 3.91Å; F549-S663 WeakPolarHBondContact CB-OG 3.33Å; F549-S663 PolarHBondContact O-OG 3.04Å; F549-G665 CarbonylContact O-C 3.46Å; F549-G665 VanDerWaalsContact O-CA 3.27Å; F549-G665 WeakPolarHBondContact O-CA 3.32Å; F549-A666 PolarHBondContact N-O 2.83Å; F549-A666 PolarHBondContact O-N 3.39Å; F549-C668 HydrophobicContact CD2-CB 3.8Å; F549-C668 HydrophobicContact CE2-CB 3.71Å
550	R	75.6	Confident	85.5	Confident	22 Å²	22	45.1 Å²	45.1	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	166.3	177.6	-59.2	171.5	-62.8	123	-10.4	112.8	S471 E474 F548 V553 S663	S471-R550 PolarHBondContact O-NH2 3.44Å; S471-R550 WeakPolarHBondContact OG-CD 3.47Å; S471-R550 PolarHBondContact OG-NE 2.9Å; S471-R550 PolarHBondContact OG-NH2 3.12Å; E474-R550 IonicContact OE1-CZ 3.75Å; E474-R550 IonicContact OE1-NE 2.7Å; E474-R550 IonicContact OE1-NH2 3.36Å; E474-R550 PolarHBondContact OE1-NH2 3.39Å; F548-R550 HydrophobicContact CD1-CG 4.24Å; F548-R550 HydrophobicContact CE1-CB 4.45Å; F548-R550 HydrophobicContact CE1-CG 3.87Å; R550-V553 HydrophobicContact CB-CG2 4.09Å; R550-V553 PolarHBondContact O-N 3.06Å; R550-S663 WeakPolarHBondContact O-CB 3.27Å; R550-S663 PolarHBondContact O-OG 3.44Å
551	R	82	Confident	85.8	Confident	114 Å²	114	48.4 Å²	48.4	43%	0.43	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	141.8	172.1	-68.5	179.1	-176.4	-85.2	-2.1	112.9	E402 V553 S663 D664	E402-R551 VanDerWaalsContact OE1-CD 3.27Å; E402-R551 WeakPolarHBondContact OE1-CD 3.33Å; E402-R551 IonicContact OE1-NE 2.74Å; E402-R551 PolarHBondContact OE1-NE 3.25Å; R551-V553 PolarHBondContact O-N 3.45Å; R551-S663 CarbonylContact C-O 3.52Å; R551-D664 VanDerWaalsContact CG-C 3.47Å; R551-D664 WeakPolarHBondContact CG-O 3.43Å; R551-D664 IonicContact CZ-OD1 2.75Å; R551-D664 PolarHBondContact NH1-O 2.94Å; R551-D664 IonicContact NH1-OD1 3.22Å; R551-D664 PolarHBondContact NH1-OD1 3.22Å; R551-D664 IonicContact NH1-OD2 2.68Å; R551-D664 PolarHBondContact NH1-OD2 2.76Å
552	N	82.5	Confident	86.3	Confident	102 Å²	102	45.5 Å²	45.5	55%	0.545	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.2	18.6	175.1	-54.4	-49.1	0	0	0	114.8	R574 S663	N552-R574 PolarHBondContact OD1-NH2 3.14Å; N552-R574 VanDerWaalsContact OD1-NH2 3.09Å; N552-S663 WeakPolarHBondContact CA-O 3.31Å; N552-S663 PolarHBondContact N-O 2.66Å
553	V	83.8	Confident	86.7	Confident	18 Å²	18	46.5 Å²	46.5	11%	0.109	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.2	171.3	175	0	0	0	0	109.2	R550 R551 I555 V662 S663	R550-V553 HydrophobicContact CB-CG2 4.09Å; R550-V553 PolarHBondContact O-N 3.06Å; R551-V553 PolarHBondContact O-N 3.45Å; V553-I555 PolarHBondContact O-N 2.87Å; V553-I555 VanDerWaalsContact O-N 3.12Å; V553-V662 CarbonylContact O-C 3.32Å; V553-V662 WeakPolarHBondContact O-CA 3.4Å; V553-S663 PolarHBondContact O-N 3.24Å
554	T	89.8	Confident	87	Confident	67 Å²	67	45.9 Å²	45.9	41%	0.411	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	102.3	169.1	-52.6	0	0	0	0	109.2	C556 I557 L661 V662	T554-C556 WeakPolarHBondContact CG2-O 3.47Å; T554-I557 HydrophobicContact CG2-CG1 3.84Å; T554-L661 CarbonylContact C-O 3.27Å; T554-V662 HydrophobicContact CG2-CG2 4.41Å
555	I	90.7	Very high	87.3	Confident	13 Å²	13	45.7 Å²	45.7	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-46	177.1	-61	175.2	0	0	0	109.5	F549 V553 Y566 L661	F549-I555 HydrophobicContact CB-CD1 3.99Å; F549-I555 HydrophobicContact CB-CG1 4.14Å; F549-I555 HydrophobicContact CD1-CD1 4.27Å; F549-I555 HydrophobicContact CD1-CG1 3.82Å; F549-I555 HydrophobicContact CD2-CD1 3.44Å; F549-I555 VanDerWaalsContact CD2-CD1 3.44Å; F549-I555 HydrophobicContact CD2-CG1 3.94Å; F549-I555 HydrophobicContact CE1-CG1 4.14Å; F549-I555 HydrophobicContact CE1-CG2 4.14Å; F549-I555 HydrophobicContact CE2-CD1 3.86Å; F549-I555 HydrophobicContact CE2-CG1 4.22Å; F549-I555 HydrophobicContact CE2-CG2 4.06Å; F549-I555 HydrophobicContact CG-CD1 3.65Å; F549-I555 HydrophobicContact CG-CG1 3.71Å; F549-I555 HydrophobicContact CZ-CD1 4.45Å; F549-I555 HydrophobicContact CZ-CG1 4.32Å; F549-I555 HydrophobicContact CZ-CG2 3.81Å; V553-I555 PolarHBondContact O-N 2.87Å; V553-I555 VanDerWaalsContact O-N 3.12Å; I555-Y566 HydrophobicContact CG2-CD1 3.93Å; I555-Y566 HydrophobicContact CG2-CD2 4.46Å; I555-Y566 HydrophobicContact CG2-CE1 3.41Å; I555-Y566 VanDerWaalsContact CG2-CE1 3.41Å; I555-Y566 HydrophobicContact CG2-CE2 3.98Å; I555-Y566 HydrophobicContact CG2-CG 4.42Å; I555-Y566 VanDerWaalsContact CG2-CZ 3.43Å; I555-L661 HydrophobicContact CB-CB 4.38Å; I555-L661 HydrophobicContact CB-CD2 4Å; I555-L661 HydrophobicContact CB-CG 4.22Å; I555-L661 HydrophobicContact CD1-CD2 3.81Å; I555-L661 HydrophobicContact CD1-CG 4.12Å; I555-L661 HydrophobicContact CG1-CD2 4.49Å; I555-L661 HydrophobicContact CG2-CD2 4.01Å; I555-L661 PolarHBondContact N-O 3.18Å
556	C	90.1	Very high	87.8	Confident	8 Å²	8	45.9 Å²	45.9	5%	0.054	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	123.6	-175.6	175.1	0	0	0	0	108.9	T554 D558 S559 F643 S660 L661	T554-C556 WeakPolarHBondContact CG2-O 3.47Å; C556-D558 PolarHBondContact SG-O 3.33Å; C556-S559 PolarHBondContact SG-N 3.33Å; C556-F643 HydrophobicContact CB-CE1 4.23Å; C556-S660 CarbonylContact O-C 3.54Å; C556-S660 WeakPolarHBondContact O-CA 3.46Å; C556-S660 WeakPolarHBondContact O-CB 3.17Å; C556-L661 HydrophobicContact CB-CB 3.89Å; C556-L661 PolarHBondContact N-O 2.87Å; C556-L661 PolarHBondContact O-N 2.83Å
557	I	88.9	Confident	88.4	Confident	123 Å²	123	44 Å²	44	63%	0.631	22%	0.219	S	C	*	.	S	Bend	trans	-80.4	-40.4	176.3	-59.2	170	0	0	0	109.9	T554 S660	T554-I557 HydrophobicContact CG2-CG1 3.84Å; I557-S660 PolarHBondContact O-OG 3.01Å
558	D	90.5	Very high	89	Confident	33 Å²	33	44 Å²	44	18%	0.176	22%	0.219	C	C	.	.			trans	-134.4	110.3	-177.5	-179.7	-9.7	0	0	0	110.2	C556 N560 Q561 S562 S658	C556-D558 PolarHBondContact SG-O 3.33Å; D558-N560 PolarHBondContact O-N 3.09Å; D558-N560 WeakPolarHBondContact OD1-CB 3.28Å; D558-N560 PolarHBondContact OD1-N 2.97Å; D558-Q561 HydrophobicContact CB-CB 4.12Å; D558-Q561 HydrophobicContact CB-CG 4.17Å; D558-Q561 PolarHBondContact O-N 3.25Å; D558-Q561 VanDerWaalsContact OD2-CD 3.26Å; D558-Q561 WeakPolarHBondContact OD2-CG 3.4Å; D558-Q561 PolarHBondContact OD2-NE2 3.35Å; D558-S562 PolarHBondContact O-N 3.28Å; D558-S562 VanDerWaalsContact O-N 3.1Å; D558-S658 WeakPolarHBondContact OD1-CB 3.23Å; D558-S658 PolarHBondContact OD1-OG 3.45Å; D558-S658 PolarHBondContact OD2-OG 2.75Å
559	S	92.4	Very high	89.4	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.014	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.7	178.8	55.6	0	0	0	0	114	C556 S658 V659 K673	C556-S559 PolarHBondContact SG-N 3.33Å; S559-S658 WeakPolarHBondContact OG-CA 3.35Å; S559-V659 WeakPolarHBondContact CB-O 3.24Å; S559-V659 PolarHBondContact N-O 3.26Å; S559-V659 PolarHBondContact OG-N 3.41Å; S559-K673 PolarHBondContact O-NZ 2.97Å
560	N	89.6	Confident	89.7	Confident	69 Å²	69	46.5 Å²	46.5	37%	0.369	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-24.8	-178.8	-64	-18.3	0	0	0	111.9	D558 T656	D558-N560 PolarHBondContact O-N 3.09Å; D558-N560 WeakPolarHBondContact OD1-CB 3.28Å; D558-N560 PolarHBondContact OD1-N 2.97Å; N560-T656 PolarHBondContact ND2-O 3.32Å
561	Q	87.5	Confident	90.4	Very high	153 Å²	153	47 Å²	47	72%	0.715	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-12.1	176.4	-65.3	177	30.9	0	0	113.1	D558	D558-Q561 HydrophobicContact CB-CB 4.12Å; D558-Q561 HydrophobicContact CB-CG 4.17Å; D558-Q561 PolarHBondContact O-N 3.25Å; D558-Q561 VanDerWaalsContact OD2-CD 3.26Å; D558-Q561 WeakPolarHBondContact OD2-CG 3.4Å; D558-Q561 PolarHBondContact OD2-NE2 3.35Å
562	S	90.9	Very high	91	Very high	14 Å²	14	45 Å²	45	10%	0.098	24%	0.243	C	C	.	.			trans	-67.9	134.7	176	177.6	0	0	0	0	111.1	D558 W564 K673	D558-S562 PolarHBondContact O-N 3.28Å; D558-S562 VanDerWaalsContact O-N 3.1Å; S562-W564 VanDerWaalsContact C-N 3.32Å; S562-W564 PolarHBondContact OG-N 2.91Å; S562-W564 VanDerWaalsContact OG-N 3.12Å; S562-W564 PolarHBondContact OG-O 2.74Å; S562-K673 VanDerWaalsContact O-CD 3.3Å; S562-K673 WeakPolarHBondContact O-CD 3.41Å; S562-K673 WeakPolarHBondContact O-CE 3.44Å; S562-K673 PolarHBondContact O-NZ 2.87Å
563	N	91.5	Very high	91.7	Very high	103 Å²	103	40.2 Å²	40.2	55%	0.551	22%	0.217	S	C	*	.			trans	-91.8	8.2	171	-67.7	-18.6	0	0	0	113	N672 K673	N563-N672 CarbonylContact O-C 3.51Å; N563-K673 WeakPolarHBondContact O-CB 3.5Å; N563-K673 WeakPolarHBondContact O-CG 3.48Å; N563-K673 PolarHBondContact O-N 3.37Å
564	W	94.7	Very high	92.3	Very high	28 Å²	28	41.5 Å²	41.5	11%	0.106	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.9	-172	-65.3	94.2	0	0	0	111.9	Y479 S541 T542 L545 S562 Y566 A670 N672 K673	Y479-W564 AromaticContact CD1-NE1 3.84Å; S541-W564 WeakPolarHBondContact O-CH2 3.37Å; T542-W564 VanDerWaalsContact O-CH2 3.29Å; T542-W564 WeakPolarHBondContact O-CH2 3.47Å; L545-W564 HydrophobicContact CB-CH2 3.94Å; L545-W564 HydrophobicContact CB-CZ3 3.84Å; S562-W564 VanDerWaalsContact C-N 3.32Å; S562-W564 PolarHBondContact OG-N 2.91Å; S562-W564 VanDerWaalsContact OG-N 3.12Å; S562-W564 PolarHBondContact OG-O 2.74Å; W564-Y566 HydrophobicContact CB-CD2 4.17Å; W564-Y566 HydrophobicContact CB-CE1 4.22Å; W564-Y566 HydrophobicContact CB-CE2 3.53Å; W564-A670 HydrophobicContact CB-CB 4.49Å; W564-A670 HydrophobicContact CD2-CB 4.26Å; W564-A670 HydrophobicContact CE3-CB 3.58Å; W564-A670 HydrophobicContact CZ3-CB 4.16Å; W564-A670 WeakPolarHBondContact CZ3-O 3.42Å; W564-N672 HydrophobicContact CZ3-CB 4.41Å; W564-K673 WeakPolarHBondContact O-CE 3.42Å
565	I	95.5	Very high	92.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.3	162.7	-56	170.7	0	0	0	106.4	I567 V642 F643 L645 I648 A670 I671 K673 F676	I565-I567 HydrophobicContact CG2-CD1 4.12Å; I565-V642 HydrophobicContact CG2-CG1 3.47Å; I565-V642 VanDerWaalsContact CG2-CG1 3.47Å; I565-F643 CarbonylContact C-O 3.59Å; I565-F643 WeakPolarHBondContact CA-O 3.39Å; I565-L645 HydrophobicContact CD1-CD2 4.04Å; I565-L645 HydrophobicContact CG2-CD2 4.21Å; I565-L645 HydrophobicContact CG2-CG 4.33Å; I565-I648 HydrophobicContact CD1-CD1 3.59Å; I565-I648 HydrophobicContact CG1-CD1 3.96Å; I565-A670 CarbonylContact O-C 3.6Å; I565-A670 WeakPolarHBondContact O-CA 3.48Å; I565-I671 PolarHBondContact N-O 3.45Å; I565-I671 PolarHBondContact O-N 2.67Å; I565-K673 HydrophobicContact CG1-CG 3.88Å; I565-F676 HydrophobicContact CD1-CB 3.61Å; I565-F676 HydrophobicContact CD1-CD1 3.67Å; I565-F676 HydrophobicContact CD1-CD2 3.57Å; I565-F676 HydrophobicContact CD1-CE1 4.21Å; I565-F676 HydrophobicContact CD1-CE2 4.13Å; I565-F676 HydrophobicContact CD1-CG 3.32Å; I565-F676 HydrophobicContact CD1-CZ 4.42Å
566	Y	96.1	Very high	92.8	Very high	6 Å²	6	39.1 Å²	39.1	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.3	-179.5	-62.9	-90.5	0	0	0	110.3	Y479 F549 I555 W564 V642 F643 L661 A670	Y479-Y566 HydrophobicContact CE1-CE1 4.49Å; Y479-Y566 PolarHBondContact OH-OH 3.35Å; Y479-Y566 VanDerWaalsContact OH-OH 3.14Å; F549-Y566 HydrophobicContact CE2-CD1 4.07Å; F549-Y566 HydrophobicContact CE2-CE1 4.05Å; F549-Y566 HydrophobicContact CZ-CD1 4.41Å; F549-Y566 AromaticContact CZ-CE1 3.91Å; F549-Y566 HydrophobicContact CZ-CE1 3.91Å; I555-Y566 HydrophobicContact CG2-CD1 3.93Å; I555-Y566 HydrophobicContact CG2-CD2 4.46Å; I555-Y566 HydrophobicContact CG2-CE1 3.41Å; I555-Y566 VanDerWaalsContact CG2-CE1 3.41Å; I555-Y566 HydrophobicContact CG2-CE2 3.98Å; I555-Y566 HydrophobicContact CG2-CG 4.42Å; I555-Y566 VanDerWaalsContact CG2-CZ 3.43Å; W564-Y566 HydrophobicContact CB-CD2 4.17Å; W564-Y566 HydrophobicContact CB-CE1 4.22Å; W564-Y566 HydrophobicContact CB-CE2 3.53Å; Y566-V642 CarbonylContact O-C 3.46Å; Y566-V642 WeakPolarHBondContact O-CA 3.46Å; Y566-F643 AromaticContact CD2-CD1 3.94Å; Y566-F643 HydrophobicContact CD2-CD1 3.94Å; Y566-F643 PolarHBondContact N-O 2.78Å; Y566-F643 PolarHBondContact O-N 2.99Å; Y566-L661 HydrophobicContact CD2-CD2 4.1Å; Y566-L661 HydrophobicContact CG-CD2 4.13Å; Y566-A670 HydrophobicContact CD1-CB 3.69Å; Y566-A670 HydrophobicContact CE1-CB 3.81Å; Y566-A670 HydrophobicContact CG-CB 4.46Å
567	I	96.6	Very high	93	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.5	175.1	-56.3	84.6	0	0	0	107.6	F521 L522 I525 I528 I565 K569 S641 V642 C668 V669 I671	F521-I567 HydrophobicContact CE1-CG2 3.59Å; F521-I567 HydrophobicContact CZ-CG2 3.87Å; L522-I567 HydrophobicContact CD2-CB 4.47Å; L522-I567 HydrophobicContact CD2-CD1 4.09Å; L522-I567 HydrophobicContact CD2-CG1 4.15Å; I525-I567 HydrophobicContact CD1-CG2 4.24Å; I525-I567 HydrophobicContact CG1-CG2 4.07Å; I528-I567 HydrophobicContact CD1-CD1 4.3Å; I528-I567 HydrophobicContact CD1-CG1 4.4Å; I528-I567 HydrophobicContact CG1-CG1 4.4Å; I565-I567 HydrophobicContact CG2-CD1 4.12Å; I567-K569 PolarHBondContact O-N 3.35Å; I567-S641 WeakPolarHBondContact CA-O 3.41Å; I567-V642 HydrophobicContact CG1-CG1 4.13Å; I567-V642 HydrophobicContact CG1-CG2 4.03Å; I567-V642 HydrophobicContact CG2-CG2 4.37Å; I567-C668 CarbonylContact O-C 3.59Å; I567-C668 VanDerWaalsContact O-CA 3.23Å; I567-C668 WeakPolarHBondContact O-CA 3.39Å; I567-V669 HydrophobicContact CB-CB 4.44Å; I567-V669 VanDerWaalsContact CD1-O 3.24Å; I567-V669 WeakPolarHBondContact CD1-O 3.46Å; I567-V669 PolarHBondContact N-O 2.96Å; I567-V669 PolarHBondContact O-N 2.82Å; I567-I671 HydrophobicContact CD1-CD1 3.92Å; I567-I671 HydrophobicContact CD1-CG1 4.13Å
568	V	95.5	Very high	93.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	116.3	177.6	-177.8	0	0	0	0	108.6	F521 G571 C573 L637 P639 S640 S641 A666	F521-V568 WeakPolarHBondContact CZ-O 3.4Å; V568-G571 WeakPolarHBondContact CG1-O 3.49Å; V568-C573 HydrophobicContact CG2-CB 4.43Å; V568-L637 HydrophobicContact CG2-CB 4.03Å; V568-P639 CarbonylContact O-C 3.53Å; V568-S640 PolarHBondContact O-N 2.94Å; V568-S641 PolarHBondContact N-O 3.47Å; V568-A666 HydrophobicContact CG1-CB 4.31Å
569	K	89.9	Confident	92.9	Very high	40 Å²	40	34.9 Å²	34.9	17%	0.174	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-50.3	174.9	-173	-165.2	176.2	-152.1	0	111.1	D517 F521 F546 I567 E667	D517-K569 VanDerWaalsContact OD2-CE 3.3Å; D517-K569 WeakPolarHBondContact OD2-CE 3.11Å; D517-K569 IonicContact OD2-NZ 3.61Å; D517-K569 PolarHBondContact OD2-NZ 2.84Å; F521-K569 HydrophobicContact CD1-CB 4.2Å; F521-K569 HydrophobicContact CD1-CG 3.95Å; F521-K569 HydrophobicContact CD2-CG 4.12Å; F521-K569 HydrophobicContact CE1-CB 3.8Å; F521-K569 HydrophobicContact CE1-CG 3.98Å; F521-K569 HydrophobicContact CE2-CG 4.16Å; F521-K569 HydrophobicContact CG-CG 4.02Å; F521-K569 VanDerWaalsContact CZ-CA 3.49Å; F521-K569 HydrophobicContact CZ-CB 3.98Å; F521-K569 HydrophobicContact CZ-CG 4.1Å; F546-K569 HydrophobicContact CE2-CD 3.79Å; F546-K569 HydrophobicContact CZ-CD 4.32Å; I567-K569 PolarHBondContact O-N 3.35Å; K569-E667 HydrophobicContact CB-CB 4.34Å; K569-E667 WeakPolarHBondContact CB-O 3.36Å; K569-E667 PolarHBondContact N-O 3Å; K569-E667 IonicContact NZ-OE2 4Å
570	T	89.9	Confident	92.4	Very high	60 Å²	60	38.7 Å²	38.7	37%	0.368	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.9	177.4	66	0	0	0	0	109.5	A666 E667	T570-A666 CarbonylContact O-C 3.56Å; T570-A666 WeakPolarHBondContact O-CA 3.42Å; T570-A666 WeakPolarHBondContact O-CB 3.47Å; T570-E667 PolarHBondContact N-O 3.1Å; T570-E667 PolarHBondContact O-N 2.71Å; T570-E667 VanDerWaalsContact OG1-CB 3.24Å; T570-E667 WeakPolarHBondContact OG1-CB 3.48Å; T570-E667 WeakPolarHBondContact OG1-CG 3.48Å; T570-E667 PolarHBondContact OG1-OE2 2.82Å
571	G	90.6	Very high	91.5	Very high	32 Å²	32	37 Å²	37	33%	0.33	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.9	-156	-176.4	0	0	0	0	0	113.2	V568 P639 G665	V568-G571 WeakPolarHBondContact CG1-O 3.49Å; G571-P639 WeakPolarHBondContact O-CD 3.29Å; G571-G665 VanDerWaalsContact CA-O 3.29Å; G571-G665 WeakPolarHBondContact CA-O 3.46Å
572	Q	94.7	Very high	90.5	Very high	73 Å²	73	36.5 Å²	36.5	34%	0.341	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.2	-174.2	-65.8	-179.2	-14.2	0	0	113.1	I636 L637 D664 A666	Q572-I636 HydrophobicContact CB-CG2 4.26Å; Q572-I636 HydrophobicContact CG-CG2 4.43Å; Q572-L637 VanDerWaalsContact CA-O 3.23Å; Q572-L637 WeakPolarHBondContact CA-O 3.29Å; Q572-D664 WeakPolarHBondContact O-CA 3.5Å; Q572-D664 PolarHBondContact O-N 2.78Å; Q572-A666 WeakPolarHBondContact O-CB 3.4Å
573	C	96.6	Very high	89	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	159.6	168.4	-66.6	0	0	0	0	110.3	V568 I636 L637 L661 V662	V568-C573 HydrophobicContact CG2-CB 4.43Å; C573-I636 CarbonylContact O-C 3.52Å; C573-I636 WeakPolarHBondContact O-CA 3.44Å; C573-L637 HydrophobicContact CB-CB 4.12Å; C573-L637 HydrophobicContact CB-CD1 4.23Å; C573-L637 PolarHBondContact N-O 2.87Å; C573-L637 PolarHBondContact O-N 2.72Å; C573-L661 HydrophobicContact CB-CD1 3.68Å; C573-L661 HydrophobicContact CB-CG 4.33Å; C573-V662 CarbonylContact C-O 3.58Å; C573-V662 WeakPolarHBondContact CA-O 3.24Å
574	R	96.3	Very high	87	Confident	46 Å²	46	42.6 Å²	42.6	17%	0.174	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.9	176.7	-68.9	179.6	-75.1	169.9	-3.9	109.9	N552 L576 E633 I636 V662	N552-R574 PolarHBondContact OD1-NH2 3.14Å; N552-R574 VanDerWaalsContact OD1-NH2 3.09Å; R574-L576 HydrophobicContact CB-CD2 4.27Å; R574-E633 VanDerWaalsContact CD-OE2 3.28Å; R574-E633 WeakPolarHBondContact CD-OE2 3.35Å; R574-E633 IonicContact NH1-OE2 2.94Å; R574-I636 HydrophobicContact CG-CG1 4.33Å; R574-V662 PolarHBondContact N-O 3.4Å; R574-V662 PolarHBondContact O-N 3.38Å
575	I	96.3	Very high	84.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.4	171.6	-58.2	-177.7	0	0	0	107.8	L634 K635 L637 F643 V659 S660 L661 F695	I575-L634 HydrophobicContact CB-CB 4.43Å; I575-L634 HydrophobicContact CG2-CB 4.2Å; I575-L634 HydrophobicContact CG2-CD1 4.14Å; I575-L634 PolarHBondContact O-N 2.61Å; I575-K635 HydrophobicContact CB-CB 4.44Å; I575-K635 HydrophobicContact CD1-CB 4.31Å; I575-K635 PolarHBondContact N-O 2.84Å; I575-L637 HydrophobicContact CD1-CD1 4.13Å; I575-L637 HydrophobicContact CD1-CD2 3.84Å; I575-L637 HydrophobicContact CD1-CG 4.13Å; I575-L637 HydrophobicContact CG1-CD1 4.09Å; I575-L637 HydrophobicContact CG1-CD2 4.32Å; I575-L637 HydrophobicContact CG1-CG 4.08Å; I575-F643 HydrophobicContact CD1-CD2 3.64Å; I575-F643 HydrophobicContact CD1-CE2 3.99Å; I575-F643 HydrophobicContact CG1-CD2 4.05Å; I575-F643 HydrophobicContact CG1-CE2 4.16Å; I575-F643 HydrophobicContact CG2-CE2 4.48Å; I575-V659 HydrophobicContact CG2-CB 3.74Å; I575-V659 HydrophobicContact CG2-CG1 4.22Å; I575-V659 HydrophobicContact CG2-CG2 3.68Å; I575-S660 CarbonylContact C-O 3.41Å; I575-S660 WeakPolarHBondContact CA-O 3.37Å; I575-L661 HydrophobicContact CG1-CD1 4.18Å; I575-F695 HydrophobicContact CD1-CE1 3.79Å; I575-F695 HydrophobicContact CD1-CZ 3.79Å; I575-F695 HydrophobicContact CG2-CE1 4.06Å; I575-F695 HydrophobicContact CG2-CZ 4.33Å
576	L	95.2	Very high	81.8	Confident	29 Å²	29	55.9 Å²	55.9	15%	0.152	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.7	-178.8	-54.9	-176.8	0	0	0	110.5	R574 I632 E633 S660 V662	R574-L576 HydrophobicContact CB-CD2 4.27Å; L576-I632 CarbonylContact C-O 3.46Å; L576-I632 WeakPolarHBondContact CA-O 3.46Å; L576-E633 HydrophobicContact CD2-CB 3.82Å; L576-E633 HydrophobicContact CD2-CG 3.91Å; L576-S660 PolarHBondContact N-O 2.99Å; L576-S660 PolarHBondContact O-N 2.8Å; L576-V662 HydrophobicContact CD1-CB 4.35Å; L576-V662 HydrophobicContact CD1-CG2 3.7Å; L576-V662 HydrophobicContact CG-CG2 4.28Å
577	K	93.3	Very high	78.7	Confident	21 Å²	21	63.5 Å²	63.5	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.7	168	-178	64.8	-164.7	147.9	0	111.1	V579 F631 I632 L634 S658 V659 L701	K577-V579 HydrophobicContact CG-CG2 4.27Å; K577-F631 CarbonylContact O-C 3.6Å; K577-F631 WeakPolarHBondContact O-CA 3.22Å; K577-I632 PolarHBondContact N-O 3.22Å; K577-I632 PolarHBondContact O-N 3.45Å; K577-L634 HydrophobicContact CB-CD1 3.94Å; K577-L634 HydrophobicContact CB-CD2 4.41Å; K577-L634 HydrophobicContact CB-CG 4.19Å; K577-S658 WeakPolarHBondContact CD-O 3.42Å; K577-S658 VanDerWaalsContact CE-O 3.22Å; K577-S658 WeakPolarHBondContact CE-O 3.5Å; K577-S658 PolarHBondContact NZ-O 3Å; K577-V659 HydrophobicContact CB-CG1 4.42Å; K577-V659 HydrophobicContact CD-CG1 4.25Å; K577-L701 HydrophobicContact CB-CD1 3.96Å; K577-L701 HydrophobicContact CG-CD1 3.61Å
578	D	90.7	Very high	75.9	Confident	52 Å²	52	68.1 Å²	68.1	28%	0.278	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.1	170.2	65.8	-41.8	0	0	0	110.9	I630 F631	D578-I630 CarbonylContact C-O 3.59Å; D578-I630 WeakPolarHBondContact CA-O 3.46Å; D578-F631 HydrophobicContact CB-CD1 3.92Å; D578-F631 HydrophobicContact CB-CE1 3.68Å; D578-F631 HydrophobicContact CB-CZ 4.38Å
579	V	87.2	Confident	72.8	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.006	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.5	177.5	-179.3	0	0	0	0	108.5	K577 I630 I632 V698 L701 E702	K577-V579 HydrophobicContact CG-CG2 4.27Å; V579-I630 PolarHBondContact N-O 2.79Å; V579-I630 PolarHBondContact O-N 3.23Å; V579-I632 HydrophobicContact CB-CD1 4.25Å; V579-I632 HydrophobicContact CG2-CD1 3.66Å; V579-I632 HydrophobicContact CG2-CG1 4.27Å; V579-V698 HydrophobicContact CG1-CG1 4.36Å; V579-L701 HydrophobicContact CG2-CB 4.13Å; V579-L701 HydrophobicContact CG2-CD1 4.28Å; V579-E702 HydrophobicContact CG1-CG 3.49Å; V579-E702 VanDerWaalsContact CG1-CG 3.49Å
580	E	81.3	Confident	70	Confident	82 Å²	82	77.6 Å²	77.6	38%	0.383	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119.2	174.6	-71.6	-172.4	-171.6	0	0	109.7	K582 N627 K629	E580-K582 PolarHBondContact O-N 2.87Å; E580-K582 VanDerWaalsContact O-N 3.08Å; E580-N627 PolarHBondContact OE2-ND2 3.22Å; E580-K629 HydrophobicContact CG-CG 4.03Å; E580-K629 WeakPolarHBondContact OE1-CE 3.46Å; E580-K629 IonicContact OE1-NZ 2.78Å; E580-K629 PolarHBondContact OE1-NZ 2.96Å
581	L	71.2	Confident	67.2	Low	34 Å²	34	82.1 Å²	82.1	18%	0.178	42%	0.417	C	S	.	.			trans	-71.5	107.4	172.7	-71.5	-177.4	0	0	0	110	P583 D628 I630 L705	L581-P583 WeakPolarHBondContact O-CD 3.37Å; L581-D628 PolarHBondContact N-O 3.44Å; L581-I630 HydrophobicContact CD1-CD1 3.34Å; L581-I630 HydrophobicContact CD1-CG1 4.07Å; L581-I630 HydrophobicContact CD2-CD1 4.21Å; L581-I630 HydrophobicContact CG-CD1 3.77Å; L581-I630 HydrophobicContact CG-CG1 4.21Å; L581-L705 HydrophobicContact CD2-CD2 3.68Å
582	K	66.8	Low	64.3	Low	142 Å²	142	86.7 Å²	86.7	62%	0.617	44%	0.438	S	S	*	.			trans	-66.2	127	161.4	-67.1	173.8	-174.2	161.1	0	107.8	E580 K584	E580-K582 PolarHBondContact O-N 2.87Å; E580-K582 VanDerWaalsContact O-N 3.08Å; K582-K584 PolarHBondContact O-N 2.83Å
583	P	58.7	Low	61.1	Low	100 Å²	100	91 Å²	91	65%	0.649	46%	0.458	S	S	*	.			trans	-68.5	79.9	169.3	28.1	-32.6	0	0	0	108.8	L581 H585	L581-P583 WeakPolarHBondContact O-CD 3.37Å; P583-H585 PolarHBondContact O-N 3.12Å
584	K	50.3	Low	58.1	Low	146 Å²	146	102 Å²	102	64%	0.635	50%	0.499	S	S	*	.			trans	-64.4	122.1	162.3	-72	-174.5	-179.5	176.8	0	105.6	K582 L586	K582-K584 PolarHBondContact O-N 2.83Å; K584-L586 VanDerWaalsContact C-N 3.27Å; K584-L586 PolarHBondContact O-N 2.86Å
585	H	39.2	Very low	55.1	Low	172 Å²	172	106.4 Å²	106.4	80%	0.796	53%	0.534	S	S	*	.			trans	-30.4	80.6	-178.4	-67.5	-79.1	0	0	0	114.4	P583 K587	P583-H585 PolarHBondContact O-N 3.12Å; H585-K587 PolarHBondContact O-N 2.82Å
586	L	41.8	Very low	52	Low	134 Å²	134	109.1 Å²	109.1	70%	0.702	56%	0.563	S	S	*	*			trans	-75	65.1	162.8	-82.6	156.5	0	0	0	106	K584 S588	K584-L586 VanDerWaalsContact C-N 3.27Å; K584-L586 PolarHBondContact O-N 2.86Å; L586-S588 PolarHBondContact O-N 2.99Å
587	K	31.3	Very low	49	Very low	167 Å²	167	114.3 Å²	114.3	73%	0.726	60%	0.596	S	S	*	*			trans	-70.1	85.2	155.9	-72.4	-173.6	-179.8	-179.3	0	104.9	H585 T589	H585-K587 PolarHBondContact O-N 2.82Å; K587-T589 PolarHBondContact O-N 2.82Å
588	S	36.9	Very low	45.9	Very low	96 Å²	96	120.7 Å²	120.7	67%	0.671	63%	0.631	S	S	*	*			trans	-66.1	70.9	161.3	60.2	0	0	0	0	107.8	L586 I590	L586-S588 PolarHBondContact O-N 2.99Å; S588-I590 PolarHBondContact O-N 2.87Å
589	T	30	Very low	42.9	Very low	102 Å²	102	125.7 Å²	125.7	63%	0.626	66%	0.657	S	S	*	*			trans	-76.7	83.8	158.9	-50.4	0	0	0	0	104.9	K587 K591	K587-T589 PolarHBondContact O-N 2.82Å; T589-K591 HydrophobicContact CG2-CG 3.87Å; T589-K591 PolarHBondContact O-N 3.43Å
590	I	32.4	Very low	40	Very low	140 Å²	140	132.2 Å²	132.2	72%	0.718	69%	0.687	S	S	*	*			trans	-63.2	89.3	161.6	-59.2	170.7	0	0	0	104.7	S588 T592	S588-I590 PolarHBondContact O-N 2.87Å; I590-T592 HydrophobicContact CG2-CG2 4.3Å; I590-T592 PolarHBondContact O-N 2.83Å
591	K	29.5	Very low	37.5	Very low	155 Å²	155	134 Å²	134	67%	0.674	69%	0.691	S	S	*	*			trans	-73.1	104.7	160.3	-73.2	-170.1	179.6	178.9	0	104.9	T589 H593	T589-K591 HydrophobicContact CG2-CG 3.87Å; T589-K591 PolarHBondContact O-N 3.43Å; K591-H593 PolarHBondContact O-N 3.15Å
592	T	30	Very low	35.4	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	71%	0.71	S	S	*	*			trans	-58.8	86.5	164.1	52.3	0	0	0	0	107.8	I590 R594	I590-T592 HydrophobicContact CG2-CG2 4.3Å; I590-T592 PolarHBondContact O-N 2.83Å; T592-R594 PolarHBondContact O-N 3.4Å
593	H	28.2	Very low	33.7	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.755	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-74.5	123.3	167.1	-88.5	-84.2	0	0	0	107.7	K591	K591-H593 PolarHBondContact O-N 3.15Å
594	R	34.7	Very low	32	Very low	231 Å²	231	145 Å²	145	87%	0.872	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-54	146.5	170.3	-69.6	175.2	174.8	174.4	-3.5	109.6	T592 G596	T592-R594 PolarHBondContact O-N 3.4Å; R594-G596 PolarHBondContact O-N 3.4Å
595	P	32.6	Very low	30.8	Very low	139 Å²	139	143.4 Å²	143.4	90%	0.903	74%	0.735	S	S	*	*	S	Bend	trans	-71.6	119.1	-179.3	29.7	-31.4	0	0	0	109.4
596	G	30.6	Very low	30	Very low	59 Å²	59	140.7 Å²	140.7	61%	0.608	74%	0.735	S	S	*	*			trans	177	102.1	176.1	0	0	0	0	0	110.5	R594	R594-G596 PolarHBondContact O-N 3.4Å
597	T	31.5	Very low	29.1	Very low	137 Å²	137	139.8 Å²	139.8	84%	0.84	74%	0.739	S	S	*	*	S	Bend	trans	70.9	120.5	161.7	59.9	0	0	0	0	119
598	D	29.2	Very low	28.8	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	74%	0.743	S	S	*	*			trans	64.3	110.3	160.3	-59.4	-21.5	0	0	0	120.8	Q600	D598-Q600 PolarHBondContact O-N 3.38Å
599	L	28.3	Very low	28.3	Very low	158 Å²	158	142.2 Å²	142.2	83%	0.827	75%	0.746	S	S	*	*			trans	-77.8	89.8	-175.1	-132.3	93.5	0	0	0	110.3	Y601	L599-Y601 HydrophobicContact CD2-CD2 4.42Å; L599-Y601 HydrophobicContact CD2-CE2 3.87Å; L599-Y601 HydrophobicContact CG-CE2 4.11Å
600	Q	26.4	Very low	28.1	Very low	137 Å²	137	142 Å²	142	64%	0.64	76%	0.755	S	S	*	*			trans	-124.2	95.3	174.2	-153	138.8	19.8	0	0	110.1	D598 Y602	D598-Q600 PolarHBondContact O-N 3.38Å; Q600-Y602 HydrophobicContact CG-CD2 3.65Å; Q600-Y602 HydrophobicContact CG-CE2 3.64Å; Q600-Y602 PolarHBondContact O-N 2.94Å
601	Y	27.8	Very low	27.7	Very low	120 Å²	120	145.3 Å²	145.3	47%	0.471	76%	0.764	S	S	.	*			trans	-75.4	84.9	177.6	-79.5	-88.2	0	0	0	110.4	L599 F603	L599-Y601 HydrophobicContact CD2-CD2 4.42Å; L599-Y601 HydrophobicContact CD2-CE2 3.87Å; L599-Y601 HydrophobicContact CG-CE2 4.11Å; Y601-F603 HydrophobicContact CD1-CE2 4.19Å
602	Y	27.4	Very low	27.7	Very low	144 Å²	144	142.9 Å²	142.9	57%	0.565	77%	0.767	S	S	*	*			trans	-108.5	109.2	162.7	-79.9	-86.3	0	0	0	110	Q600 E604	Q600-Y602 HydrophobicContact CG-CD2 3.65Å; Q600-Y602 HydrophobicContact CG-CE2 3.64Å; Q600-Y602 PolarHBondContact O-N 2.94Å; Y602-E604 PolarHBondContact O-N 3.46Å
603	F	30.7	Very low	27.4	Very low	196 Å²	196	146.9 Å²	146.9	86%	0.86	77%	0.773	S	S	*	*			trans	-93.6	72.6	163.9	-78.6	-82.7	0	0	0	108.7	Y601	Y601-F603 HydrophobicContact CD1-CE2 4.19Å
604	E	23.8	Very low	27.5	Very low	167 Å²	167	147 Å²	147	78%	0.78	78%	0.778	S	S	*	*			trans	-115.7	130.1	166.4	-101.6	-175.8	176.5	0	0	111.9	Y602 S606	Y602-E604 PolarHBondContact O-N 3.46Å; E604-S606 PolarHBondContact O-N 2.96Å
605	S	25	Very low	27	Very low	113 Å²	113	143.4 Å²	143.4	79%	0.79	78%	0.777	S	S	*	*			trans	-55.6	117.6	170.9	41.7	0	0	0	0	111.6
606	S	22.2	Very low	26.8	Very low	115 Å²	115	142 Å²	142	80%	0.804	77%	0.77	S	S	*	*			trans	-154.8	106.6	146.7	-86.8	0	0	0	0	111.2	E604	E604-S606 PolarHBondContact O-N 2.96Å
607	C	22.1	Very low	26.7	Very low	115 Å²	115	147.4 Å²	147.4	78%	0.777	78%	0.779	S	S	*	*			trans	-34.4	123.4	154.6	33.5	0	0	0	0	114.1
608	H	26.5	Very low	26.4	Very low	175 Å²	175	148 Å²	148	81%	0.81	78%	0.777	S	S	*	*			trans	-157	118.7	140.4	-97.5	-61.6	0	0	0	112.4
609	N	25.1	Very low	26.4	Very low	138 Å²	138	145.6 Å²	145.6	74%	0.738	77%	0.773	S	S	*	*			trans	41.4	100.8	141.1	-67.1	-24.5	0	0	0	119.9
610	A	27	Very low	26.5	Very low	98 Å²	98	143.1 Å²	143.1	81%	0.81	78%	0.775	S	S	*	*			trans	-141.4	100.7	139.6	0	0	0	0	0	109.4	S612	A610-S612 PolarHBondContact O-N 3.23Å
611	K	24.1	Very low	26.7	Very low	209 Å²	209	145.3 Å²	145.3	91%	0.909	78%	0.783	S	S	*	*			trans	-70	105.3	168.4	-71	170.4	176	171.2	0	108
612	S	27.8	Very low	26.6	Very low	105 Å²	105	148.9 Å²	148.9	73%	0.734	80%	0.801	S	S	*	*			trans	-128.6	104.1	160.6	60.4	0	0	0	0	109.1	A610 L614	A610-S612 PolarHBondContact O-N 3.23Å; S612-L614 PolarHBondContact O-N 3.41Å
613	K	24.6	Very low	27.1	Very low	211 Å²	211	149.4 Å²	149.4	92%	0.917	81%	0.812	S	S	*	*			trans	-54	116.1	167.2	-72.7	171	172	177.4	0	108.9
614	L	29.9	Very low	27.5	Very low	164 Å²	164	146.4 Å²	146.4	86%	0.859	81%	0.805	S	S	*	*			trans	-142.8	109.6	154.8	-121.6	122.7	0	0	0	108.9	S612 S616	S612-L614 PolarHBondContact O-N 3.41Å; L614-S616 PolarHBondContact O-N 2.93Å
615	N	25.6	Very low	28.4	Very low	157 Å²	157	145.5 Å²	145.5	84%	0.84	81%	0.806	S	S	*	*			trans	-0.8	102.4	172.7	-66.6	-14.1	0	0	0	117.2	Q617	N615-Q617 PolarHBondContact O-N 3.44Å
616	S	27.9	Very low	29.5	Very low	108 Å²	108	148.2 Å²	148.2	76%	0.755	80%	0.803	S	S	*	*			trans	-57	108.2	147.4	53.5	0	0	0	0	109.5	L614	L614-S616 PolarHBondContact O-N 2.93Å
617	Q	27.3	Very low	31.1	Very low	173 Å²	173	146.1 Å²	146.1	81%	0.808	78%	0.783	S	S	*	*			trans	165.8	90.4	146.1	-92.4	167.8	19.2	0	0	107.1	N615	N615-Q617 PolarHBondContact O-N 3.44Å
618	N	25.5	Very low	33.4	Very low	150 Å²	150	146.2 Å²	146.2	80%	0.802	78%	0.776	S	S	*	*	S	Bend		164.4	127.3	127.4	-78.9	-19.9	0	0	0	109.2
619	S	28.8	Very low	35.9	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	76%	0.761	S	S	*	*			trans	75.2	43.4	162.7	-39.9	0	0	0	0	116.9	K621	S619-K621 PolarHBondContact O-N 3.45Å
620	A	31	Very low	38.8	Very low	106 Å²	106	137.6 Å²	137.6	88%	0.876	73%	0.73	S	S	*	*			trans	-68.2	76.3	141.6	0	0	0	0	0	107	K622	A620-K622 PolarHBondContact O-N 2.94Å
621	K	30.1	Very low	41.8	Very low	183 Å²	183	136.9 Å²	136.9	80%	0.796	71%	0.709	S	S	*	*			trans	-49.7	118.3	164.8	-79.2	179.8	174.8	179.1	0	105.3	S619 L623	S619-K621 PolarHBondContact O-N 3.45Å; K621-L623 PolarHBondContact O-N 3.33Å
622	K	26.7	Very low	45	Very low	195 Å²	195	127.1 Å²	127.1	85%	0.848	67%	0.667	S	S	*	*			trans	-46.3	97.3	161.5	-96.4	174.7	166.9	178.6	0	106	A620 D624	A620-K622 PolarHBondContact O-N 2.94Å; K622-D624 VanDerWaalsContact C-N 3.34Å; K622-D624 PolarHBondContact O-N 3.49Å; K622-D624 VanDerWaalsContact O-N 3.1Å
623	L	36.7	Very low	48.1	Very low	155 Å²	155	123.6 Å²	123.6	81%	0.812	64%	0.639	S	S	*	*			trans	-56.5	112.4	151.7	-86	132.4	0	0	0	103	K621 N625	K621-L623 PolarHBondContact O-N 3.33Å; L623-N625 PolarHBondContact O-N 3.22Å
624	D	40.1	Very low	51.3	Low	133 Å²	133	115.3 Å²	115.3	71%	0.711	60%	0.604	S	S	*	*			trans	-48.8	115.7	168.6	-87.8	-27	0	0	0	106.3	K622 K626	K622-D624 VanDerWaalsContact C-N 3.34Å; K622-D624 PolarHBondContact O-N 3.49Å; K622-D624 VanDerWaalsContact O-N 3.1Å; D624-K626 PolarHBondContact O-N 3.19Å
625	N	42.4	Very low	54.3	Low	147 Å²	147	113.1 Å²	113.1	79%	0.786	59%	0.587	S	S	*	*			trans	-67	53.6	173.1	-85.3	-16.4	0	0	0	109.3	L623 N627	L623-N625 PolarHBondContact O-N 3.22Å; N625-N627 VanDerWaalsContact C-N 3.35Å; N625-N627 PolarHBondContact O-N 2.8Å; N625-N627 VanDerWaalsContact O-N 3.09Å
626	K	48.3	Very low	57.6	Low	170 Å²	170	109.2 Å²	109.2	74%	0.739	57%	0.566	S	S	*	*			trans	-72.1	101.2	162	-82.7	-176.5	177.1	177.7	0	105.3	D624 D628	D624-K626 PolarHBondContact O-N 3.19Å; K626-D628 PolarHBondContact O-N 3.2Å
627	N	56.5	Low	60.9	Low	71 Å²	71	104.3 Å²	104.3	38%	0.38	53%	0.531	S	S	.	.			trans	-53.4	110.1	164.8	-72.4	-9.2	0	0	0	106.9	E580 N625 K629	E580-N627 PolarHBondContact OE2-ND2 3.22Å; N625-N627 VanDerWaalsContact C-N 3.35Å; N625-N627 PolarHBondContact O-N 2.8Å; N625-N627 VanDerWaalsContact O-N 3.09Å; N627-K629 PolarHBondContact O-N 3.18Å; N627-K629 VanDerWaalsContact O-N 3.08Å
628	D	69.5	Low	64.1	Low	117 Å²	117	101.6 Å²	101.6	63%	0.626	52%	0.518	S	S	*	.			trans	-63.2	113.3	173.2	-74.5	-24.2	0	0	0	108	L581 K626	L581-D628 PolarHBondContact N-O 3.44Å; K626-D628 PolarHBondContact O-N 3.2Å
629	K	79.7	Confident	67.4	Low	113 Å²	113	97.7 Å²	97.7	49%	0.491	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.5	172.6	-71.5	-171.1	175.8	-157.2	0	108.7	E580 N627	E580-K629 HydrophobicContact CG-CG 4.03Å; E580-K629 WeakPolarHBondContact OE1-CE 3.46Å; E580-K629 IonicContact OE1-NZ 2.78Å; E580-K629 PolarHBondContact OE1-NZ 2.96Å; N627-K629 PolarHBondContact O-N 3.18Å; N627-K629 VanDerWaalsContact O-N 3.08Å
630	I	85.6	Confident	70.6	Confident	19 Å²	19	95.5 Å²	95.5	10%	0.097	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.5	173.6	-63.6	-174.7	0	0	0	108.6	I206 D578 V579 L581 I632 L705	I206-I630 HydrophobicContact CG2-CG2 4.01Å; D578-I630 CarbonylContact C-O 3.59Å; D578-I630 WeakPolarHBondContact CA-O 3.46Å; V579-I630 PolarHBondContact N-O 2.79Å; V579-I630 PolarHBondContact O-N 3.23Å; L581-I630 HydrophobicContact CD1-CD1 3.34Å; L581-I630 HydrophobicContact CD1-CG1 4.07Å; L581-I630 HydrophobicContact CD2-CD1 4.21Å; L581-I630 HydrophobicContact CG-CD1 3.77Å; L581-I630 HydrophobicContact CG-CG1 4.21Å; I630-I632 HydrophobicContact CG2-CG1 4.33Å; I630-L705 HydrophobicContact CD1-CD2 4.34Å
631	F	89.4	Confident	73.7	Confident	84 Å²	84	91.8 Å²	91.8	37%	0.368	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.7	169.5	-64.9	-87.4	0	0	0	109.1	K577 D578	K577-F631 CarbonylContact O-C 3.6Å; K577-F631 WeakPolarHBondContact O-CA 3.22Å; D578-F631 HydrophobicContact CB-CD1 3.92Å; D578-F631 HydrophobicContact CB-CE1 3.68Å; D578-F631 HydrophobicContact CB-CZ 4.38Å
632	I	90.8	Very high	76.8	Confident	4 Å²	4	83.9 Å²	83.9	2%	0.021	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.4	176.5	-57.4	179.2	0	0	0	107.9	M204 L576 K577 V579 I630 L634 L701 L705	M204-I632 HydrophobicContact CE-CG2 3.25Å; L576-I632 CarbonylContact C-O 3.46Å; L576-I632 WeakPolarHBondContact CA-O 3.46Å; K577-I632 PolarHBondContact N-O 3.22Å; K577-I632 PolarHBondContact O-N 3.45Å; V579-I632 HydrophobicContact CB-CD1 4.25Å; V579-I632 HydrophobicContact CG2-CD1 3.66Å; V579-I632 HydrophobicContact CG2-CG1 4.27Å; I630-I632 HydrophobicContact CG2-CG1 4.33Å; I632-L634 HydrophobicContact CG2-CD2 4.13Å; I632-L634 PolarHBondContact O-N 2.97Å; I632-L701 HydrophobicContact CD1-CB 4.04Å; I632-L701 HydrophobicContact CD1-CD2 4.48Å; I632-L701 HydrophobicContact CG2-CD2 4.5Å; I632-L705 HydrophobicContact CD1-CB 4.41Å; I632-L705 HydrophobicContact CD1-CD2 4.32Å
633	E	93.1	Very high	80.1	Confident	31 Å²	31	74.7 Å²	74.7	15%	0.145	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	115.6	171	-170.2	172.8	130.5	0	0	109.4	M204 R574 L576 I636	M204-E633 WeakPolarHBondContact CE-O 3.45Å; R574-E633 VanDerWaalsContact CD-OE2 3.28Å; R574-E633 WeakPolarHBondContact CD-OE2 3.35Å; R574-E633 IonicContact NH1-OE2 2.94Å; L576-E633 HydrophobicContact CD2-CB 3.82Å; L576-E633 HydrophobicContact CD2-CG 3.91Å; E633-I636 WeakPolarHBondContact OE1-CD1 3.17Å; E633-I636 WeakPolarHBondContact OE1-CG1 3.49Å
634	L	92.6	Very high	82.8	Confident	36 Å²	36	67.3 Å²	67.3	19%	0.188	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-40.2	-177.4	-61.2	-175.9	0	0	0	112	I575 K577 I632 V659 F695 L701	I575-L634 HydrophobicContact CB-CB 4.43Å; I575-L634 HydrophobicContact CG2-CB 4.2Å; I575-L634 HydrophobicContact CG2-CD1 4.14Å; I575-L634 PolarHBondContact O-N 2.61Å; K577-L634 HydrophobicContact CB-CD1 3.94Å; K577-L634 HydrophobicContact CB-CD2 4.41Å; K577-L634 HydrophobicContact CB-CG 4.19Å; I632-L634 HydrophobicContact CG2-CD2 4.13Å; I632-L634 PolarHBondContact O-N 2.97Å; L634-V659 HydrophobicContact CD1-CG1 3.59Å; L634-F695 HydrophobicContact CD1-CD1 4.14Å; L634-L701 HydrophobicContact CD2-CD1 4.07Å; L634-L701 HydrophobicContact CD2-CD2 3.51Å; L634-L701 HydrophobicContact CD2-CG 4.45Å
635	K	92.6	Very high	85.4	Confident	118 Å²	118	61.3 Å²	61.3	51%	0.513	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	141.7	-174.7	-172.3	172	-180	-178.1	0	111.5	I575 L637	I575-K635 HydrophobicContact CB-CB 4.44Å; I575-K635 HydrophobicContact CD1-CB 4.31Å; I575-K635 PolarHBondContact N-O 2.84Å; K635-L637 HydrophobicContact CD-CD2 4.08Å; K635-L637 HydrophobicContact CG-CD2 4.24Å
636	I	95.7	Very high	87.8	Confident	76 Å²	76	55.4 Å²	55.4	39%	0.39	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129	164.3	-55	175.8	0	0	0	108	Q572 C573 R574 E633	Q572-I636 HydrophobicContact CB-CG2 4.26Å; Q572-I636 HydrophobicContact CG-CG2 4.43Å; C573-I636 CarbonylContact O-C 3.52Å; C573-I636 WeakPolarHBondContact O-CA 3.44Å; R574-I636 HydrophobicContact CG-CG1 4.33Å; E633-I636 WeakPolarHBondContact OE1-CD1 3.17Å; E633-I636 WeakPolarHBondContact OE1-CG1 3.49Å
637	L	96	Very high	89.8	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	112.4	175.7	-59	-175.1	0	0	0	108.9	V568 Q572 C573 I575 K635 F643 L661	V568-L637 HydrophobicContact CG2-CB 4.03Å; Q572-L637 VanDerWaalsContact CA-O 3.23Å; Q572-L637 WeakPolarHBondContact CA-O 3.29Å; C573-L637 HydrophobicContact CB-CB 4.12Å; C573-L637 HydrophobicContact CB-CD1 4.23Å; C573-L637 PolarHBondContact N-O 2.87Å; C573-L637 PolarHBondContact O-N 2.72Å; I575-L637 HydrophobicContact CD1-CD1 4.13Å; I575-L637 HydrophobicContact CD1-CD2 3.84Å; I575-L637 HydrophobicContact CD1-CG 4.13Å; I575-L637 HydrophobicContact CG1-CD1 4.09Å; I575-L637 HydrophobicContact CG1-CD2 4.32Å; I575-L637 HydrophobicContact CG1-CG 4.08Å; K635-L637 HydrophobicContact CD-CD2 4.08Å; K635-L637 HydrophobicContact CG-CD2 4.24Å; L637-F643 HydrophobicContact CD1-CB 3.71Å; L637-F643 HydrophobicContact CD1-CD2 4.43Å; L637-F643 HydrophobicContact CD1-CG 4.38Å; L637-L661 HydrophobicContact CD1-CD1 3.63Å
638	E	95.6	Very high	91.5	Very high	116 Å²	116	45.1 Å²	45.1	54%	0.542	23%	0.232	S	C	.	.			trans	-87.1	170.6	176	-63.8	-173.5	156.8	0	0	111.1	S640 S641	E638-S640 PolarHBondContact O-N 2.84Å; E638-S641 PolarHBondContact N-OG 3.17Å; E638-S641 WeakPolarHBondContact O-CB 3.42Å; E638-S641 PolarHBondContact O-N 3.22Å; E638-S641 PolarHBondContact O-OG 3.15Å
639	P	94.8	Very high	92.5	Very high	69 Å²	69	39.8 Å²	39.8	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	142.5	171.5	-30.1	38.6	0	0	0	112.7	V568 G571 S641	V568-P639 CarbonylContact O-C 3.53Å; G571-P639 WeakPolarHBondContact O-CD 3.29Å; P639-S641 PolarHBondContact O-N 3.28Å
640	S	94.7	Very high	93	Very high	59 Å²	59	35.9 Å²	35.9	41%	0.413	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	-0.1	-172	-56.9	0	0	0	0	116.2	V568 E638	V568-S640 PolarHBondContact O-N 2.94Å; E638-S640 PolarHBondContact O-N 2.84Å
641	S	95.7	Very high	93.1	Very high	28 Å²	28	41.1 Å²	41.1	20%	0.196	21%	0.211	C	C	.	.			trans	-71.9	148.2	171.7	-61.3	0	0	0	0	111.7	I567 V568 E638 P639	I567-S641 WeakPolarHBondContact CA-O 3.41Å; V568-S641 PolarHBondContact N-O 3.47Å; E638-S641 PolarHBondContact N-OG 3.17Å; E638-S641 WeakPolarHBondContact O-CB 3.42Å; E638-S641 PolarHBondContact O-N 3.22Å; E638-S641 PolarHBondContact O-OG 3.15Å; P639-S641 PolarHBondContact O-N 3.28Å
642	V	95.9	Very high	92.9	Very high	17 Å²	17	41 Å²	41	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.2	179.3	-171	0	0	0	0	110.2	I525 F527 I565 Y566 I567 L645	I525-V642 HydrophobicContact CG2-CG2 3.65Å; F527-V642 HydrophobicContact CB-CG2 4.15Å; I565-V642 HydrophobicContact CG2-CG1 3.47Å; I565-V642 VanDerWaalsContact CG2-CG1 3.47Å; Y566-V642 CarbonylContact O-C 3.46Å; Y566-V642 WeakPolarHBondContact O-CA 3.46Å; I567-V642 HydrophobicContact CG1-CG1 4.13Å; I567-V642 HydrophobicContact CG1-CG2 4.03Å; I567-V642 HydrophobicContact CG2-CG2 4.37Å; V642-L645 HydrophobicContact CB-CD1 3.94Å; V642-L645 HydrophobicContact CG1-CD1 3.53Å; V642-L645 HydrophobicContact CG1-CG 3.71Å
643	F	96.1	Very high	92.6	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.9	175.3	174.7	-97.9	0	0	0	111.1	C556 I565 Y566 I575 L637 V659 L661 F695	C556-F643 HydrophobicContact CB-CE1 4.23Å; I565-F643 CarbonylContact C-O 3.59Å; I565-F643 WeakPolarHBondContact CA-O 3.39Å; Y566-F643 AromaticContact CD2-CD1 3.94Å; Y566-F643 HydrophobicContact CD2-CD1 3.94Å; Y566-F643 PolarHBondContact N-O 2.78Å; Y566-F643 PolarHBondContact O-N 2.99Å; I575-F643 HydrophobicContact CD1-CD2 3.64Å; I575-F643 HydrophobicContact CD1-CE2 3.99Å; I575-F643 HydrophobicContact CG1-CD2 4.05Å; I575-F643 HydrophobicContact CG1-CE2 4.16Å; I575-F643 HydrophobicContact CG2-CE2 4.48Å; L637-F643 HydrophobicContact CD1-CB 3.71Å; L637-F643 HydrophobicContact CD1-CD2 4.43Å; L637-F643 HydrophobicContact CD1-CG 4.38Å; F643-V659 HydrophobicContact CE2-CG2 3.75Å; F643-V659 HydrophobicContact CZ-CG2 4.07Å; F643-L661 HydrophobicContact CB-CD2 4.43Å; F643-L661 HydrophobicContact CD1-CB 4.25Å; F643-L661 HydrophobicContact CD1-CD1 4.42Å; F643-L661 HydrophobicContact CD1-CD2 3.65Å; F643-L661 HydrophobicContact CD1-CG 4.33Å; F643-L661 HydrophobicContact CD2-CD1 4.21Å; F643-L661 HydrophobicContact CE1-CB 3.82Å; F643-L661 HydrophobicContact CE1-CD2 4.03Å; F643-L661 HydrophobicContact CE1-CG 4.4Å; F643-L661 HydrophobicContact CE2-CB 4.39Å; F643-L661 HydrophobicContact CE2-CD1 4.49Å; F643-L661 HydrophobicContact CG-CD1 4.13Å; F643-L661 HydrophobicContact CG-CD2 4.07Å; F643-L661 HydrophobicContact CZ-CB 3.88Å; F643-F695 HydrophobicContact CD2-CZ 4.44Å; F643-F695 HydrophobicContact CE2-CE2 4.46Å; F643-F695 HydrophobicContact CE2-CZ 4.26Å
644	G	94.4	Very high	92.1	Very high	1 Å²	1	50 Å²	50	1%	0.01	28%	0.28	C	S	.	.	S	Bend	trans	106.1	-8.9	174.8	0	0	0	0	0	113.6	E646 S647	G644-E646 VanDerWaalsContact C-N 3.27Å; G644-E646 PolarHBondContact N-OE2 3.42Å; G644-E646 PolarHBondContact O-N 2.92Å; G644-S647 PolarHBondContact O-N 3.36Å; G644-S647 PolarHBondContact O-OG 2.92Å
645	L	93.8	Very high	91.7	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-29.5	173.1	-66.7	175	0	0	0	112.1	F527 I565 V642 S647 I648 A649 F676 L688 V692	F527-L645 HydrophobicContact CB-CD1 3.63Å; F527-L645 HydrophobicContact CD1-CD1 4.23Å; F527-L645 HydrophobicContact CG-CD1 4.13Å; I565-L645 HydrophobicContact CD1-CD2 4.04Å; I565-L645 HydrophobicContact CG2-CD2 4.21Å; I565-L645 HydrophobicContact CG2-CG 4.33Å; V642-L645 HydrophobicContact CB-CD1 3.94Å; V642-L645 HydrophobicContact CG1-CD1 3.53Å; V642-L645 HydrophobicContact CG1-CG 3.71Å; L645-S647 VanDerWaalsContact C-N 3.29Å; L645-S647 PolarHBondContact O-N 2.91Å; L645-I648 PolarHBondContact O-N 3.2Å; L645-I648 VanDerWaalsContact O-N 3.15Å; L645-A649 WeakPolarHBondContact O-CB 3.22Å; L645-A649 PolarHBondContact O-N 2.79Å; L645-F676 HydrophobicContact CD2-CE1 4.16Å; L645-F676 HydrophobicContact CD2-CZ 3.99Å; L645-L688 HydrophobicContact CD1-CD2 4.23Å; L645-V692 HydrophobicContact CB-CG2 4.38Å
646	E	92.8	Very high	91.5	Very high	23 Å²	23	44.9 Å²	44.9	11%	0.107	27%	0.266	C	S	.	.	H	α-helix	trans	-57	-45.5	177.5	-59.5	79.5	179.7	0	0	110.5	G644 I648 A649 F650 T656 V692 F695	G644-E646 VanDerWaalsContact C-N 3.27Å; G644-E646 PolarHBondContact N-OE2 3.42Å; G644-E646 PolarHBondContact O-N 2.92Å; E646-I648 VanDerWaalsContact C-N 3.35Å; E646-I648 PolarHBondContact O-N 3.12Å; E646-A649 PolarHBondContact O-N 2.83Å; E646-F650 WeakPolarHBondContact O-CB 3.4Å; E646-F650 VanDerWaalsContact O-CD2 3.23Å; E646-F650 WeakPolarHBondContact O-CD2 3.45Å; E646-F650 PolarHBondContact O-N 3.44Å; E646-T656 HydrophobicContact CB-CG2 4.11Å; E646-V692 HydrophobicContact CB-CG1 4.19Å; E646-V692 HydrophobicContact CG-CG1 3.65Å; E646-F695 HydrophobicContact CB-CD2 4.24Å; E646-F695 HydrophobicContact CB-CE2 3.8Å; E646-F695 HydrophobicContact CB-CZ 4.48Å; E646-F695 HydrophobicContact CG-CD2 4.18Å; E646-F695 HydrophobicContact CG-CE2 3.54Å; E646-F695 HydrophobicContact CG-CZ 3.73Å
647	S	90.5	Very high	91.3	Very high	12 Å²	12	42.7 Å²	42.7	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-40.4	177.6	64.9	0	0	0	0	112.4	G644 L645 E651 K673	G644-S647 PolarHBondContact O-N 3.36Å; G644-S647 PolarHBondContact O-OG 2.92Å; L645-S647 VanDerWaalsContact C-N 3.29Å; L645-S647 PolarHBondContact O-N 2.91Å; S647-E651 WeakPolarHBondContact O-CB 3.3Å; S647-E651 PolarHBondContact O-N 2.82Å; S647-K673 WeakPolarHBondContact OG-CE 3.45Å; S647-K673 PolarHBondContact OG-NZ 3.42Å
648	I	92	Very high	91.1	Very high	13 Å²	13	43.9 Å²	43.9	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-69.6	-42	179	-61.9	173.5	0	0	0	111.1	I565 L645 E646 F650 K673 F676 I677 L685	I565-I648 HydrophobicContact CD1-CD1 3.59Å; I565-I648 HydrophobicContact CG1-CD1 3.96Å; L645-I648 PolarHBondContact O-N 3.2Å; L645-I648 VanDerWaalsContact O-N 3.15Å; E646-I648 VanDerWaalsContact C-N 3.35Å; E646-I648 PolarHBondContact O-N 3.12Å; I648-F650 VanDerWaalsContact C-N 3.33Å; I648-F650 PolarHBondContact O-N 3.45Å; I648-K673 HydrophobicContact CD1-CB 4.36Å; I648-K673 HydrophobicContact CD1-CD 4.46Å; I648-K673 HydrophobicContact CD1-CG 4.08Å; I648-K673 HydrophobicContact CG1-CD 4.3Å; I648-K673 HydrophobicContact CG1-CG 4.44Å; I648-F676 HydrophobicContact CD1-CD1 3.94Å; I648-F676 HydrophobicContact CD1-CE1 4.38Å; I648-I677 HydrophobicContact CD1-CG1 4.38Å; I648-I677 HydrophobicContact CG1-CD1 4.34Å; I648-I677 HydrophobicContact CG2-CD1 4.25Å; I648-I677 HydrophobicContact CG2-CG1 4.02Å; I648-L685 HydrophobicContact CG2-CD2 4.12Å
649	A	91.5	Very high	91.1	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-39.5	-179.6	0	0	0	0	0	111.5	L645 E646 R689 V692	L645-A649 WeakPolarHBondContact O-CB 3.22Å; L645-A649 PolarHBondContact O-N 2.79Å; E646-A649 PolarHBondContact O-N 2.83Å; A649-R689 HydrophobicContact CB-CG 4.18Å; A649-R689 WeakPolarHBondContact O-CG 3.24Å; A649-V692 HydrophobicContact CB-CB 4.37Å
650	F	90.4	Very high	91.1	Very high	31 Å²	31	35.9 Å²	35.9	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-103.8	-6.5	-171.8	-64.4	-74.1	0	0	0	115.8	E646 I648 P652 F653 G654 G655 V692 P694	E646-F650 WeakPolarHBondContact O-CB 3.4Å; E646-F650 VanDerWaalsContact O-CD2 3.23Å; E646-F650 WeakPolarHBondContact O-CD2 3.45Å; E646-F650 PolarHBondContact O-N 3.44Å; I648-F650 VanDerWaalsContact C-N 3.33Å; I648-F650 PolarHBondContact O-N 3.45Å; F650-P652 VanDerWaalsContact C-CD 3.46Å; F650-P652 VanDerWaalsContact C-N 3.34Å; F650-F653 HydrophobicContact CD1-CD2 4.06Å; F650-F653 CarbonylContact O-C 3.58Å; F650-F653 WeakPolarHBondContact O-CA 3.26Å; F650-F653 PolarHBondContact O-N 3.44Å; F650-G654 PolarHBondContact O-N 3.37Å; F650-G655 WeakPolarHBondContact O-CA 3.38Å; F650-G655 PolarHBondContact O-N 3.2Å; F650-V692 HydrophobicContact CE2-CG1 4.25Å; F650-V692 VanDerWaalsContact CZ-O 3.29Å; F650-V692 WeakPolarHBondContact CZ-O 3.46Å; F650-P694 HydrophobicContact CD1-CB 4.43Å; F650-P694 HydrophobicContact CD2-CB 4Å; F650-P694 HydrophobicContact CE1-CB 4.31Å; F650-P694 HydrophobicContact CE1-CG 4.28Å; F650-P694 HydrophobicContact CE2-CB 3.89Å; F650-P694 HydrophobicContact CE2-CG 4.37Å; F650-P694 VanDerWaalsContact CE2-N 3.35Å; F650-P694 HydrophobicContact CG-CB 4.3Å; F650-P694 HydrophobicContact CZ-CB 4.07Å; F650-P694 VanDerWaalsContact CZ-CD 3.44Å; F650-P694 HydrophobicContact CZ-CG 4.08Å
651	E	87	Confident	91.2	Very high	130 Å²	130	33.1 Å²	33.1	61%	0.607	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-50.5	-44.3	174.1	176.1	175.1	-157.7	0	0	113.3	S647 F653 G654	S647-E651 WeakPolarHBondContact O-CB 3.3Å; S647-E651 PolarHBondContact O-N 2.82Å; E651-F653 PolarHBondContact O-N 2.78Å; E651-F653 VanDerWaalsContact O-N 3.14Å; E651-G654 PolarHBondContact O-N 2.85Å
652	P	84	Confident	91.1	Very high	82 Å²	82	32.4 Å²	32.4	53%	0.532	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-63.8	-19.1	176	-21.9	34	0	0	0	114.8	F650	F650-P652 VanDerWaalsContact C-CD 3.46Å; F650-P652 VanDerWaalsContact C-N 3.34Å
653	F	85.3	Confident	90.9	Very high	146 Å²	146	31.6 Å²	31.6	64%	0.64	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-101.5	14.1	-177.9	-56.1	-71.1	0	0	0	112.9	F650 E651	F650-F653 HydrophobicContact CD1-CD2 4.06Å; F650-F653 CarbonylContact O-C 3.58Å; F650-F653 WeakPolarHBondContact O-CA 3.26Å; F650-F653 PolarHBondContact O-N 3.44Å; E651-F653 PolarHBondContact O-N 2.78Å; E651-F653 VanDerWaalsContact O-N 3.14Å
654	G	82.6	Confident	90.6	Very high	78 Å²	78	33.5 Å²	33.5	80%	0.804	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.3	8	-177.6	0	0	0	0	0	114.4	F650 E651	F650-G654 PolarHBondContact O-N 3.37Å; E651-G654 PolarHBondContact O-N 2.85Å
655	G	84.1	Confident	90.2	Very high	32 Å²	32	34 Å²	34	33%	0.33	21%	0.209	S	C	.	.			trans	91.3	-175.7	176.5	0	0	0	0	0	114.3	F650	F650-G655 WeakPolarHBondContact O-CA 3.38Å; F650-G655 PolarHBondContact O-N 3.2Å
656	T	88	Confident	90	Very high	14 Å²	14	33.7 Å²	33.7	9%	0.086	21%	0.207	C	C	.	.			trans	-118.9	170.1	175.6	-168.6	0	0	0	0	110.1	N560 E646 S658 F695	N560-T656 PolarHBondContact ND2-O 3.32Å; E646-T656 HydrophobicContact CB-CG2 4.11Å; T656-S658 PolarHBondContact O-N 2.72Å; T656-F695 HydrophobicContact CG2-CD2 4.21Å; T656-F695 PolarHBondContact OG1-N 2.67Å; T656-F695 VanDerWaalsContact OG1-N 3.1Å
657	T	91.6	Very high	89.8	Confident	30 Å²	30	34.2 Å²	34.2	18%	0.184	21%	0.21	C	C	.	.			trans	-62.8	130.1	174.1	50.3	0	0	0	0	110.4	V659 F695 P696	T657-V659 PolarHBondContact O-N 3.21Å; T657-F695 WeakPolarHBondContact OG1-CB 3.37Å; T657-F695 PolarHBondContact OG1-O 3.46Å; T657-F695 VanDerWaalsContact OG1-O 3.12Å; T657-P696 WeakPolarHBondContact CB-O 3.46Å; T657-P696 VanDerWaalsContact CG2-O 3.25Å; T657-P696 WeakPolarHBondContact CG2-O 3.46Å; T657-P696 PolarHBondContact OG1-O 3.47Å
658	S	92.5	Very high	89.8	Confident	28 Å²	28	33.6 Å²	33.6	20%	0.196	21%	0.206	C	C	.	.			trans	-65.3	124.6	177	170.4	0	0	0	0	109.9	D558 S559 K577 T656	D558-S658 WeakPolarHBondContact OD1-CB 3.23Å; D558-S658 PolarHBondContact OD1-OG 3.45Å; D558-S658 PolarHBondContact OD2-OG 2.75Å; S559-S658 WeakPolarHBondContact OG-CA 3.35Å; K577-S658 WeakPolarHBondContact CD-O 3.42Å; K577-S658 VanDerWaalsContact CE-O 3.22Å; K577-S658 WeakPolarHBondContact CE-O 3.5Å; K577-S658 PolarHBondContact NZ-O 3Å; T656-S658 PolarHBondContact O-N 2.72Å
659	V	95.3	Very high	89.8	Confident	1 Å²	1	33 Å²	33	1%	0.006	20%	0.203	C	C	.	.			trans	-126.4	157.1	178.6	-63.1	0	0	0	0	110.5	S559 I575 K577 L634 F643 T657 F695	S559-V659 WeakPolarHBondContact CB-O 3.24Å; S559-V659 PolarHBondContact N-O 3.26Å; S559-V659 PolarHBondContact OG-N 3.41Å; I575-V659 HydrophobicContact CG2-CB 3.74Å; I575-V659 HydrophobicContact CG2-CG1 4.22Å; I575-V659 HydrophobicContact CG2-CG2 3.68Å; K577-V659 HydrophobicContact CB-CG1 4.42Å; K577-V659 HydrophobicContact CD-CG1 4.25Å; L634-V659 HydrophobicContact CD1-CG1 3.59Å; F643-V659 HydrophobicContact CE2-CG2 3.75Å; F643-V659 HydrophobicContact CZ-CG2 4.07Å; T657-V659 PolarHBondContact O-N 3.21Å; V659-F695 HydrophobicContact CB-CD2 4.48Å; V659-F695 HydrophobicContact CG1-CB 4.05Å; V659-F695 HydrophobicContact CG1-CD1 4.32Å; V659-F695 HydrophobicContact CG1-CD2 3.93Å; V659-F695 HydrophobicContact CG1-CG 3.84Å; V659-F695 HydrophobicContact CG2-CD2 3.66Å; V659-F695 HydrophobicContact CG2-CE1 4.47Å; V659-F695 HydrophobicContact CG2-CE2 3.46Å; V659-F695 VanDerWaalsContact CG2-CE2 3.46Å; V659-F695 HydrophobicContact CG2-CG 4.27Å; V659-F695 HydrophobicContact CG2-CZ 3.92Å
660	S	94.8	Very high	89.9	Confident	16 Å²	16	32.8 Å²	32.8	11%	0.112	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	143.8	175.5	-52.2	0	0	0	0	110.9	C556 I557 I575 L576	C556-S660 CarbonylContact O-C 3.54Å; C556-S660 WeakPolarHBondContact O-CA 3.46Å; C556-S660 WeakPolarHBondContact O-CB 3.17Å; I557-S660 PolarHBondContact O-OG 3.01Å; I575-S660 CarbonylContact C-O 3.41Å; I575-S660 WeakPolarHBondContact CA-O 3.37Å; L576-S660 PolarHBondContact N-O 2.99Å; L576-S660 PolarHBondContact O-N 2.8Å
661	L	96.4	Very high	90.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	123	172.5	-175	68.8	0	0	0	109.4	T554 I555 C556 Y566 C573 I575 L637 F643	T554-L661 CarbonylContact C-O 3.27Å; I555-L661 HydrophobicContact CB-CB 4.38Å; I555-L661 HydrophobicContact CB-CD2 4Å; I555-L661 HydrophobicContact CB-CG 4.22Å; I555-L661 HydrophobicContact CD1-CD2 3.81Å; I555-L661 HydrophobicContact CD1-CG 4.12Å; I555-L661 HydrophobicContact CG1-CD2 4.49Å; I555-L661 HydrophobicContact CG2-CD2 4.01Å; I555-L661 PolarHBondContact N-O 3.18Å; C556-L661 HydrophobicContact CB-CB 3.89Å; C556-L661 PolarHBondContact N-O 2.87Å; C556-L661 PolarHBondContact O-N 2.83Å; Y566-L661 HydrophobicContact CD2-CD2 4.1Å; Y566-L661 HydrophobicContact CG-CD2 4.13Å; C573-L661 HydrophobicContact CB-CD1 3.68Å; C573-L661 HydrophobicContact CB-CG 4.33Å; I575-L661 HydrophobicContact CG1-CD1 4.18Å; L637-L661 HydrophobicContact CD1-CD1 3.63Å; F643-L661 HydrophobicContact CB-CD2 4.43Å; F643-L661 HydrophobicContact CD1-CB 4.25Å; F643-L661 HydrophobicContact CD1-CD1 4.42Å; F643-L661 HydrophobicContact CD1-CD2 3.65Å; F643-L661 HydrophobicContact CD1-CG 4.33Å; F643-L661 HydrophobicContact CD2-CD1 4.21Å; F643-L661 HydrophobicContact CE1-CB 3.82Å; F643-L661 HydrophobicContact CE1-CD2 4.03Å; F643-L661 HydrophobicContact CE1-CG 4.4Å; F643-L661 HydrophobicContact CE2-CB 4.39Å; F643-L661 HydrophobicContact CE2-CD1 4.49Å; F643-L661 HydrophobicContact CG-CD1 4.13Å; F643-L661 HydrophobicContact CG-CD2 4.07Å; F643-L661 HydrophobicContact CZ-CB 3.88Å
662	V	94.6	Very high	90.4	Very high	13 Å²	13	26.5 Å²	26.5	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.4	177.9	-178.3	0	0	0	0	109.2	V553 T554 C573 R574 L576	V553-V662 CarbonylContact O-C 3.32Å; V553-V662 WeakPolarHBondContact O-CA 3.4Å; T554-V662 HydrophobicContact CG2-CG2 4.41Å; C573-V662 CarbonylContact C-O 3.58Å; C573-V662 WeakPolarHBondContact CA-O 3.24Å; R574-V662 PolarHBondContact N-O 3.4Å; R574-V662 PolarHBondContact O-N 3.38Å; L576-V662 HydrophobicContact CD1-CB 4.35Å; L576-V662 HydrophobicContact CD1-CG2 3.7Å; L576-V662 HydrophobicContact CG-CG2 4.28Å
663	S	92	Very high	90.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	142.2	175.2	-177.5	0	0	0	0	111.4	F549 R550 R551 N552 V553 G665 A666	F549-S663 WeakPolarHBondContact CB-OG 3.33Å; F549-S663 PolarHBondContact O-OG 3.04Å; R550-S663 WeakPolarHBondContact O-CB 3.27Å; R550-S663 PolarHBondContact O-OG 3.44Å; R551-S663 CarbonylContact C-O 3.52Å; N552-S663 WeakPolarHBondContact CA-O 3.31Å; N552-S663 PolarHBondContact N-O 2.66Å; V553-S663 PolarHBondContact O-N 3.24Å; S663-G665 PolarHBondContact OG-N 3.03Å; S663-A666 PolarHBondContact OG-N 2.87Å
664	D	89.5	Confident	91.3	Very high	41 Å²	41	21.2 Å²	21.2	22%	0.219	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	33.4	162	-165.6	40.3	0	0	0	111.6	R551 Q572	R551-D664 VanDerWaalsContact CG-C 3.47Å; R551-D664 WeakPolarHBondContact CG-O 3.43Å; R551-D664 IonicContact CZ-OD1 2.75Å; R551-D664 PolarHBondContact NH1-O 2.94Å; R551-D664 IonicContact NH1-OD1 3.22Å; R551-D664 PolarHBondContact NH1-OD1 3.22Å; R551-D664 IonicContact NH1-OD2 2.68Å; R551-D664 PolarHBondContact NH1-OD2 2.76Å; Q572-D664 WeakPolarHBondContact O-CA 3.5Å; Q572-D664 PolarHBondContact O-N 2.78Å
665	G	85.3	Confident	91.9	Very high	12 Å²	12	18.3 Å²	18.3	12%	0.124	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.6	85.1	-176.4	0	0	0	0	0	110.3	F549 G571 S663	F549-G665 CarbonylContact O-C 3.46Å; F549-G665 VanDerWaalsContact O-CA 3.27Å; F549-G665 WeakPolarHBondContact O-CA 3.32Å; G571-G665 VanDerWaalsContact CA-O 3.29Å; G571-G665 WeakPolarHBondContact CA-O 3.46Å; S663-G665 PolarHBondContact OG-N 3.03Å
666	A	89.9	Confident	92.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.4	-172.8	0	0	0	0	0	112.7	F549 V568 T570 Q572 S663	F549-A666 PolarHBondContact N-O 2.83Å; F549-A666 PolarHBondContact O-N 3.39Å; V568-A666 HydrophobicContact CG1-CB 4.31Å; T570-A666 CarbonylContact O-C 3.56Å; T570-A666 WeakPolarHBondContact O-CA 3.42Å; T570-A666 WeakPolarHBondContact O-CB 3.47Å; Q572-A666 WeakPolarHBondContact O-CB 3.4Å; S663-A666 PolarHBondContact OG-N 2.87Å
667	E	87.6	Confident	92.7	Very high	34 Å²	34	19.4 Å²	19.4	16%	0.159	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.6	160.5	-63.4	177.8	158.4	0	0	108.5	F546 F548 K569 T570	F546-E667 HydrophobicContact CE2-CB 4.34Å; F546-E667 HydrophobicContact CZ-CB 4.48Å; F548-E667 HydrophobicContact CB-CG 4.41Å; F548-E667 HydrophobicContact CD2-CG 3.68Å; K569-E667 HydrophobicContact CB-CB 4.34Å; K569-E667 WeakPolarHBondContact CB-O 3.36Å; K569-E667 PolarHBondContact N-O 3Å; K569-E667 IonicContact NZ-OE2 4Å; T570-E667 PolarHBondContact N-O 3.1Å; T570-E667 PolarHBondContact O-N 2.71Å; T570-E667 VanDerWaalsContact OG1-CB 3.24Å; T570-E667 WeakPolarHBondContact OG1-CB 3.48Å; T570-E667 WeakPolarHBondContact OG1-CG 3.48Å; T570-E667 PolarHBondContact OG1-OE2 2.82Å
668	C	91.4	Very high	92.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.3	-179.7	-67.9	0	0	0	0	110.8	T547 F549 I567	T547-C668 PolarHBondContact N-O 3.27Å; T547-C668 PolarHBondContact O-N 3.3Å; F549-C668 HydrophobicContact CD2-CB 3.8Å; F549-C668 HydrophobicContact CE2-CB 3.71Å; I567-C668 CarbonylContact O-C 3.59Å; I567-C668 VanDerWaalsContact O-CA 3.23Å; I567-C668 WeakPolarHBondContact O-CA 3.39Å
669	V	91.9	Very high	92.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.6	162.1	-173.4	0	0	0	0	106.9	H518 F521 L522 L544 L545 F546 I567	H518-V669 HydrophobicContact CB-CG2 3.86Å; F521-V669 HydrophobicContact CD1-CG2 4.07Å; F521-V669 HydrophobicContact CE1-CG2 4.27Å; L522-V669 HydrophobicContact CD1-CG1 3.88Å; L522-V669 HydrophobicContact CD2-CB 4.22Å; L522-V669 HydrophobicContact CD2-CG1 3.9Å; L522-V669 HydrophobicContact CG-CG1 4.06Å; L544-V669 HydrophobicContact CD1-CG1 3.67Å; L545-V669 CarbonylContact O-C 3.52Å; L545-V669 WeakPolarHBondContact O-CA 3.19Å; F546-V669 HydrophobicContact CD2-CG2 3.93Å; F546-V669 HydrophobicContact CE2-CG2 4.47Å; I567-V669 HydrophobicContact CB-CB 4.44Å; I567-V669 VanDerWaalsContact CD1-O 3.24Å; I567-V669 WeakPolarHBondContact CD1-O 3.46Å; I567-V669 PolarHBondContact N-O 2.96Å; I567-V669 PolarHBondContact O-N 2.82Å
670	A	93.1	Very high	92.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.3	178.1	0	0	0	0	0	110.6	L545 W564 I565 Y566	L545-A670 HydrophobicContact CB-CB 4.21Å; L545-A670 HydrophobicContact CD2-CB 4.37Å; L545-A670 PolarHBondContact N-O 3.36Å; L545-A670 PolarHBondContact O-N 3.08Å; W564-A670 HydrophobicContact CB-CB 4.49Å; W564-A670 HydrophobicContact CD2-CB 4.26Å; W564-A670 HydrophobicContact CE3-CB 3.58Å; W564-A670 HydrophobicContact CZ3-CB 4.16Å; W564-A670 WeakPolarHBondContact CZ3-O 3.42Å; I565-A670 CarbonylContact O-C 3.6Å; I565-A670 WeakPolarHBondContact O-CA 3.48Å; Y566-A670 HydrophobicContact CD1-CB 3.69Å; Y566-A670 HydrophobicContact CE1-CB 3.81Å; Y566-A670 HydrophobicContact CG-CB 4.46Å
671	I	94.7	Very high	92.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.9	178.2	-57	170.2	0	0	0	108.4	L522 I528 L536 L544 I565 I567 K673 F675 F676	L522-I671 HydrophobicContact CD1-CD1 4.1Å; L522-I671 HydrophobicContact CD2-CD1 4.13Å; I528-I671 HydrophobicContact CD1-CD1 4.21Å; I528-I671 HydrophobicContact CG2-CD1 4.28Å; L536-I671 HydrophobicContact CD1-CD1 3.95Å; L536-I671 HydrophobicContact CD1-CG1 4.27Å; L536-I671 HydrophobicContact CD2-CG2 4.36Å; L544-I671 HydrophobicContact CD1-CG1 4.01Å; I565-I671 PolarHBondContact N-O 3.45Å; I565-I671 PolarHBondContact O-N 2.67Å; I567-I671 HydrophobicContact CD1-CD1 3.92Å; I567-I671 HydrophobicContact CD1-CG1 4.13Å; I671-K673 PolarHBondContact O-N 3.44Å; I671-F675 HydrophobicContact CG2-CD1 4.34Å; I671-F676 HydrophobicContact CG2-CB 4.25Å
672	N	94	Very high	92.6	Very high	29 Å²	29	32.4 Å²	32.4	16%	0.155	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	130.9	176.1	-171.1	-53.4	0	0	0	111.2	T542 I543 N563 W564 T674 F675 F676	T542-N672 PolarHBondContact O-ND2 3.38Å; I543-N672 PolarHBondContact O-N 2.85Å; N563-N672 CarbonylContact O-C 3.51Å; W564-N672 HydrophobicContact CZ3-CB 4.41Å; N672-T674 VanDerWaalsContact C-N 3.35Å; N672-T674 PolarHBondContact O-N 3.38Å; N672-T674 PolarHBondContact OD1-N 3Å; N672-T674 PolarHBondContact OD1-OG1 2.98Å; N672-F675 HydrophobicContact CB-CB 4.14Å; N672-F675 PolarHBondContact O-N 3.29Å; N672-F676 WeakPolarHBondContact O-CB 3.46Å; N672-F676 PolarHBondContact O-N 2.87Å
673	K	95	Very high	92.6	Very high	20 Å²	20	38.2 Å²	38.2	9%	0.087	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-40.1	-178.2	-72.4	-174.7	-176.6	174.5	0	112.3	S559 S562 N563 W564 I565 S647 I648 I671 F676 I677	S559-K673 PolarHBondContact O-NZ 2.97Å; S562-K673 VanDerWaalsContact O-CD 3.3Å; S562-K673 WeakPolarHBondContact O-CD 3.41Å; S562-K673 WeakPolarHBondContact O-CE 3.44Å; S562-K673 PolarHBondContact O-NZ 2.87Å; N563-K673 WeakPolarHBondContact O-CB 3.5Å; N563-K673 WeakPolarHBondContact O-CG 3.48Å; N563-K673 PolarHBondContact O-N 3.37Å; W564-K673 WeakPolarHBondContact O-CE 3.42Å; I565-K673 HydrophobicContact CG1-CG 3.88Å; S647-K673 WeakPolarHBondContact OG-CE 3.45Å; S647-K673 PolarHBondContact OG-NZ 3.42Å; I648-K673 HydrophobicContact CD1-CB 4.36Å; I648-K673 HydrophobicContact CD1-CD 4.46Å; I648-K673 HydrophobicContact CD1-CG 4.08Å; I648-K673 HydrophobicContact CG1-CD 4.3Å; I648-K673 HydrophobicContact CG1-CG 4.44Å; I671-K673 PolarHBondContact O-N 3.44Å; K673-F676 PolarHBondContact O-N 3.15Å; K673-I677 VanDerWaalsContact O-CG1 3.25Å; K673-I677 WeakPolarHBondContact O-CG1 3.09Å; K673-I677 PolarHBondContact O-N 2.92Å
674	T	93.8	Very high	92.6	Very high	96 Å²	96	39.9 Å²	39.9	59%	0.589	22%	0.215	S	C	*	.	H	α-helix	trans	-66.7	-44.4	-179	63	0	0	0	0	110.4	N672 F676 I677 E678	N672-T674 VanDerWaalsContact C-N 3.35Å; N672-T674 PolarHBondContact O-N 3.38Å; N672-T674 PolarHBondContact OD1-N 3Å; N672-T674 PolarHBondContact OD1-OG1 2.98Å; T674-F676 VanDerWaalsContact C-N 3.35Å; T674-F676 PolarHBondContact O-N 2.91Å; T674-I677 PolarHBondContact O-N 3.14Å; T674-E678 WeakPolarHBondContact O-CB 3.45Å; T674-E678 PolarHBondContact O-N 3Å
675	F	95.1	Very high	92.7	Very high	18 Å²	18	39 Å²	39	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-43.6	174.9	-178.8	-89.5	0	0	0	111.9	V532 H535 L536 I543 I671 N672 E678 H679	V532-F675 HydrophobicContact CG1-CE1 4.27Å; H535-F675 HydrophobicContact CB-CE1 4.42Å; H535-F675 HydrophobicContact CB-CZ 3.71Å; H535-F675 WeakPolarHBondContact O-CZ 3.3Å; L536-F675 HydrophobicContact CD2-CD1 3.9Å; L536-F675 HydrophobicContact CD2-CE1 3.35Å; L536-F675 HydrophobicContact CD2-CZ 4.03Å; L536-F675 HydrophobicContact CG-CE1 4.02Å; I543-F675 HydrophobicContact CD1-CD2 4.11Å; I543-F675 HydrophobicContact CD1-CE2 4.37Å; I543-F675 HydrophobicContact CG1-CD2 4.32Å; I543-F675 HydrophobicContact CG2-CB 3.98Å; I543-F675 HydrophobicContact CG2-CD1 3.74Å; I543-F675 HydrophobicContact CG2-CD2 3.53Å; I543-F675 HydrophobicContact CG2-CE1 4.08Å; I543-F675 HydrophobicContact CG2-CE2 3.86Å; I543-F675 HydrophobicContact CG2-CG 3.45Å; I543-F675 VanDerWaalsContact CG2-CG 3.45Å; I543-F675 HydrophobicContact CG2-CZ 4.12Å; I671-F675 HydrophobicContact CG2-CD1 4.34Å; N672-F675 HydrophobicContact CB-CB 4.14Å; N672-F675 PolarHBondContact O-N 3.29Å; F675-E678 PolarHBondContact O-N 2.78Å; F675-H679 AromaticContact CD2-CE1 3.69Å; F675-H679 AromaticContact CD2-ND1 3.7Å; F675-H679 AromaticContact CE2-CE1 3.42Å; F675-H679 VanDerWaalsContact CE2-CE1 3.42Å; F675-H679 WeakPolarHBondContact CE2-CE1 3.29Å; F675-H679 AromaticContact CE2-ND1 3.61Å; F675-H679 AromaticContact CG-ND1 4Å; F675-H679 AromaticContact CZ-CE1 3.93Å; F675-H679 AromaticContact CZ-ND1 3.79Å; F675-H679 PolarHBondContact O-N 3.04Å; F675-H679 VanDerWaalsContact O-N 3.14Å; F675-H679 PolarHBondContact O-ND1 3.39Å
676	F	95.7	Very high	93	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-48.3	176.7	-177.8	-89.2	0	0	0	111.2	I528 V532 I565 L645 I648 I671 N672 K673 T674 E678 H679 C680 F684 L685 L688	I528-F676 HydrophobicContact CD1-CD2 4.44Å; I528-F676 HydrophobicContact CD1-CE2 3.76Å; V532-F676 HydrophobicContact CG1-CD2 4.01Å; V532-F676 HydrophobicContact CG2-CD2 4.22Å; V532-F676 HydrophobicContact CG2-CE2 4.42Å; I565-F676 HydrophobicContact CD1-CB 3.61Å; I565-F676 HydrophobicContact CD1-CD1 3.67Å; I565-F676 HydrophobicContact CD1-CD2 3.57Å; I565-F676 HydrophobicContact CD1-CE1 4.21Å; I565-F676 HydrophobicContact CD1-CE2 4.13Å; I565-F676 HydrophobicContact CD1-CG 3.32Å; I565-F676 HydrophobicContact CD1-CZ 4.42Å; L645-F676 HydrophobicContact CD2-CE1 4.16Å; L645-F676 HydrophobicContact CD2-CZ 3.99Å; I648-F676 HydrophobicContact CD1-CD1 3.94Å; I648-F676 HydrophobicContact CD1-CE1 4.38Å; I671-F676 HydrophobicContact CG2-CB 4.25Å; N672-F676 WeakPolarHBondContact O-CB 3.46Å; N672-F676 PolarHBondContact O-N 2.87Å; K673-F676 PolarHBondContact O-N 3.15Å; T674-F676 VanDerWaalsContact C-N 3.35Å; T674-F676 PolarHBondContact O-N 2.91Å; F676-E678 PolarHBondContact O-N 3.48Å; F676-H679 PolarHBondContact O-N 2.83Å; F676-C680 HydrophobicContact CD1-CB 4.26Å; F676-C680 HydrophobicContact CE1-CB 4.13Å; F676-C680 WeakPolarHBondContact O-CB 3.37Å; F676-C680 PolarHBondContact O-N 3.19Å; F676-F684 HydrophobicContact CZ-CE1 4.41Å; F676-L685 HydrophobicContact CE1-CD2 4.49Å; F676-L688 HydrophobicContact CE1-CD1 4.16Å; F676-L688 HydrophobicContact CZ-CD1 4.21Å
677	I	93.3	Very high	93.2	Very high	68 Å²	68	45.8 Å²	45.8	35%	0.349	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-41.5	-179.5	-68.1	164.7	0	0	0	111.2	I648 K673 T674 H679	I648-I677 HydrophobicContact CD1-CG1 4.38Å; I648-I677 HydrophobicContact CG1-CD1 4.34Å; I648-I677 HydrophobicContact CG2-CD1 4.25Å; I648-I677 HydrophobicContact CG2-CG1 4.02Å; K673-I677 VanDerWaalsContact O-CG1 3.25Å; K673-I677 WeakPolarHBondContact O-CG1 3.09Å; K673-I677 PolarHBondContact O-N 2.92Å; T674-I677 PolarHBondContact O-N 3.14Å; I677-H679 PolarHBondContact O-N 3.42Å
678	E	94	Very high	93.4	Very high	148 Å²	148	44.4 Å²	44.4	69%	0.692	23%	0.232	S	C	*	.	H	α-helix	trans	-62.1	-39.6	179.8	-175.7	178.9	-173.9	0	0	112.8	T674 F675 F676	T674-E678 WeakPolarHBondContact O-CB 3.45Å; T674-E678 PolarHBondContact O-N 3Å; F675-E678 PolarHBondContact O-N 2.78Å; F676-E678 PolarHBondContact O-N 3.48Å
679	H	94.3	Very high	93.4	Very high	49 Å²	49	48.2 Å²	48.2	23%	0.227	25%	0.246	C	C	.	.	H	α-helix	trans	-100.8	-1.3	-176	-62.7	83.6	0	0	0	113.9	V532 H535 F675 F676 I677	V532-H679 HydrophobicContact CG2-CB 4.01Å; H535-H679 AromaticContact CD2-CD2 3.54Å; H535-H679 AromaticContact CD2-NE2 3.92Å; H535-H679 AromaticContact CG-CD2 3.48Å; H535-H679 VanDerWaalsContact CG-CD2 3.48Å; H535-H679 AromaticContact ND1-CD2 3.87Å; H535-H679 AromaticContact NE2-CD2 4Å; F675-H679 AromaticContact CD2-CE1 3.69Å; F675-H679 AromaticContact CD2-ND1 3.7Å; F675-H679 AromaticContact CE2-CE1 3.42Å; F675-H679 VanDerWaalsContact CE2-CE1 3.42Å; F675-H679 WeakPolarHBondContact CE2-CE1 3.29Å; F675-H679 AromaticContact CE2-ND1 3.61Å; F675-H679 AromaticContact CG-ND1 4Å; F675-H679 AromaticContact CZ-CE1 3.93Å; F675-H679 AromaticContact CZ-ND1 3.79Å; F675-H679 PolarHBondContact O-N 3.04Å; F675-H679 VanDerWaalsContact O-N 3.14Å; F675-H679 PolarHBondContact O-ND1 3.39Å; F676-H679 PolarHBondContact O-N 2.83Å; I677-H679 PolarHBondContact O-N 3.42Å
680	C	94.2	Very high	93.4	Very high	9 Å²	9	52 Å²	52	6%	0.061	27%	0.272	C	S	.	.	S	Bend	trans	-86.5	124	-179.9	-176.7	0	0	0	0	110.8	V532 F676 T682 F684 L685	V532-C680 HydrophobicContact CG2-CB 4.15Å; F676-C680 HydrophobicContact CD1-CB 4.26Å; F676-C680 HydrophobicContact CE1-CB 4.13Å; F676-C680 WeakPolarHBondContact O-CB 3.37Å; F676-C680 PolarHBondContact O-N 3.19Å; C680-T682 PolarHBondContact O-N 2.82Å; C680-F684 WeakPolarHBondContact SG-CD1 3.32Å; C680-L685 HydrophobicContact CB-CD2 4.28Å; C680-L685 HydrophobicContact CB-CG 4.38Å
681	P	93.9	Very high	93.3	Very high	45 Å²	45	57.8 Å²	57.8	29%	0.292	30%	0.298	S	S	.	.			trans	-63.6	138.2	178.7	23	-29.5	0	0	0	111.1	N683 F684 L685	P681-N683 PolarHBondContact O-N 3.22Å; P681-N683 VanDerWaalsContact O-N 3.13Å; P681-F684 HydrophobicContact CG-CB 3.82Å; P681-F684 WeakPolarHBondContact O-CA 3.46Å; P681-F684 VanDerWaalsContact O-CB 3.31Å; P681-F684 WeakPolarHBondContact O-CB 3.47Å; P681-F684 PolarHBondContact O-N 3.01Å; P681-L685 PolarHBondContact O-N 3.08Å
682	T	91.6	Very high	93.2	Very high	99 Å²	99	58.5 Å²	58.5	61%	0.607	30%	0.302	S	S	*	.	H	α-helix	trans	-55.7	-36.4	-175.3	-43.2	0	0	0	0	113.2	C680 F684 L685 N686	C680-T682 PolarHBondContact O-N 2.82Å; T682-F684 VanDerWaalsContact C-N 3.27Å; T682-F684 PolarHBondContact O-N 3.48Å; T682-L685 PolarHBondContact O-N 3.43Å; T682-N686 PolarHBondContact O-N 3.3Å
683	N	93.6	Very high	93	Very high	135 Å²	135	63.9 Å²	63.9	72%	0.722	33%	0.326	S	S	*	.	H	α-helix	trans	-61.7	-35.6	175.6	-67.3	-15.5	0	0	0	112.3	P681 N686 W687	P681-N683 PolarHBondContact O-N 3.22Å; P681-N683 VanDerWaalsContact O-N 3.13Å; N683-N686 PolarHBondContact O-N 2.81Å; N683-W687 PolarHBondContact O-N 2.97Å
684	F	93.8	Very high	92.8	Very high	35 Å²	35	65.7 Å²	65.7	15%	0.154	34%	0.34	C	S	.	.	H	α-helix	trans	-72.7	-37.5	176.7	-170.5	-89.4	0	0	0	111.6	F527 P529 F676 C680 P681 T682 N686 W687 L688	F527-F684 WeakPolarHBondContact O-CE1 3.5Å; F527-F684 WeakPolarHBondContact O-CZ 3.45Å; P529-F684 HydrophobicContact CB-CD1 4.17Å; P529-F684 HydrophobicContact CB-CD2 4.01Å; P529-F684 HydrophobicContact CB-CE1 4.21Å; P529-F684 HydrophobicContact CB-CE2 4.06Å; P529-F684 HydrophobicContact CB-CG 4.05Å; P529-F684 HydrophobicContact CB-CZ 4.15Å; P529-F684 HydrophobicContact CG-CD1 3.97Å; P529-F684 HydrophobicContact CG-CE1 3.97Å; P529-F684 HydrophobicContact CG-CG 4.31Å; P529-F684 HydrophobicContact CG-CZ 4.33Å; F676-F684 HydrophobicContact CZ-CE1 4.41Å; C680-F684 WeakPolarHBondContact SG-CD1 3.32Å; P681-F684 HydrophobicContact CG-CB 3.82Å; P681-F684 WeakPolarHBondContact O-CA 3.46Å; P681-F684 VanDerWaalsContact O-CB 3.31Å; P681-F684 WeakPolarHBondContact O-CB 3.47Å; P681-F684 PolarHBondContact O-N 3.01Å; T682-F684 VanDerWaalsContact C-N 3.27Å; T682-F684 PolarHBondContact O-N 3.48Å; F684-N686 VanDerWaalsContact C-N 3.31Å; F684-N686 PolarHBondContact O-N 3.02Å; F684-W687 AromaticContact CD2-CE3 3.95Å; F684-W687 HydrophobicContact CD2-CE3 3.95Å; F684-W687 HydrophobicContact CD2-CZ3 4.37Å; F684-W687 HydrophobicContact CE1-CE3 4.27Å; F684-W687 HydrophobicContact CE1-CZ3 4.21Å; F684-W687 AromaticContact CE2-CE3 3.65Å; F684-W687 HydrophobicContact CE2-CE3 3.65Å; F684-W687 AromaticContact CE2-CZ3 3.61Å; F684-W687 HydrophobicContact CE2-CZ3 3.61Å; F684-W687 HydrophobicContact CG-CE3 4.39Å; F684-W687 AromaticContact CZ-CE3 3.84Å; F684-W687 HydrophobicContact CZ-CE3 3.84Å; F684-W687 AromaticContact CZ-CZ3 3.52Å; F684-W687 HydrophobicContact CZ-CZ3 3.52Å; F684-W687 CarbonylContact O-C 3.52Å; F684-W687 WeakPolarHBondContact O-CB 3.16Å; F684-W687 PolarHBondContact O-N 3.46Å; F684-L688 HydrophobicContact CD1-CD1 3.62Å; F684-L688 HydrophobicContact CD1-CG 3.76Å; F684-L688 HydrophobicContact CE1-CD1 3.53Å; F684-L688 HydrophobicContact CE1-CD2 3.84Å; F684-L688 HydrophobicContact CE1-CG 3.56Å; F684-L688 HydrophobicContact CZ-CD2 4.35Å; F684-L688 HydrophobicContact CZ-CG 4.39Å; F684-L688 WeakPolarHBondContact O-CB 3.46Å; F684-L688 WeakPolarHBondContact O-CG 3.43Å; F684-L688 PolarHBondContact O-N 3.43Å
685	L	91.2	Very high	92.7	Very high	23 Å²	23	62.2 Å²	62.2	12%	0.12	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-41.6	171.7	-68.5	175.3	0	0	0	111.8	I648 F676 C680 P681 T682 L688 R689	I648-L685 HydrophobicContact CG2-CD2 4.12Å; F676-L685 HydrophobicContact CE1-CD2 4.49Å; C680-L685 HydrophobicContact CB-CD2 4.28Å; C680-L685 HydrophobicContact CB-CG 4.38Å; P681-L685 PolarHBondContact O-N 3.08Å; T682-L685 PolarHBondContact O-N 3.43Å; L685-L688 HydrophobicContact CD2-CD1 4.22Å; L685-L688 WeakPolarHBondContact O-CB 3.43Å; L685-L688 PolarHBondContact O-N 2.84Å; L685-R689 WeakPolarHBondContact O-CG 3.47Å; L685-R689 PolarHBondContact O-N 2.93Å; L685-R689 VanDerWaalsContact O-N 3.08Å
686	N	91.5	Very high	92.5	Very high	82 Å²	82	63 Å²	63	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-41.7	174.3	-69.2	-23.8	0	0	0	111.9	T682 N683 F684 R689 S690	T682-N686 PolarHBondContact O-N 3.3Å; N683-N686 PolarHBondContact O-N 2.81Å; F684-N686 VanDerWaalsContact C-N 3.31Å; F684-N686 PolarHBondContact O-N 3.02Å; N686-R689 PolarHBondContact O-N 2.78Å; N686-R689 PolarHBondContact OD1-NH1 3.43Å; N686-S690 PolarHBondContact O-N 3.14Å
687	W	93.7	Very high	92.3	Very high	72 Å²	72	65.4 Å²	65.4	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-43.6	174	174.1	83.7	0	0	0	112.1	Q526 F527 N683 F684 R689 S690 K691	Q526-W687 HydrophobicContact CG-CH2 3.98Å; Q526-W687 HydrophobicContact CG-CZ2 4.37Å; F527-W687 HydrophobicContact CD1-CH2 4.04Å; F527-W687 HydrophobicContact CD1-CZ3 4.07Å; F527-W687 HydrophobicContact CE1-CH2 4.14Å; F527-W687 HydrophobicContact CE1-CZ3 4.48Å; N683-W687 PolarHBondContact O-N 2.97Å; F684-W687 AromaticContact CD2-CE3 3.95Å; F684-W687 HydrophobicContact CD2-CE3 3.95Å; F684-W687 HydrophobicContact CD2-CZ3 4.37Å; F684-W687 HydrophobicContact CE1-CE3 4.27Å; F684-W687 HydrophobicContact CE1-CZ3 4.21Å; F684-W687 AromaticContact CE2-CE3 3.65Å; F684-W687 HydrophobicContact CE2-CE3 3.65Å; F684-W687 AromaticContact CE2-CZ3 3.61Å; F684-W687 HydrophobicContact CE2-CZ3 3.61Å; F684-W687 HydrophobicContact CG-CE3 4.39Å; F684-W687 AromaticContact CZ-CE3 3.84Å; F684-W687 HydrophobicContact CZ-CE3 3.84Å; F684-W687 AromaticContact CZ-CZ3 3.52Å; F684-W687 HydrophobicContact CZ-CZ3 3.52Å; F684-W687 CarbonylContact O-C 3.52Å; F684-W687 WeakPolarHBondContact O-CB 3.16Å; F684-W687 PolarHBondContact O-N 3.46Å; W687-R689 VanDerWaalsContact C-N 3.33Å; W687-R689 PolarHBondContact O-N 3.49Å; W687-S690 WeakPolarHBondContact O-CB 3.34Å; W687-S690 PolarHBondContact O-N 3.47Å; W687-S690 PolarHBondContact O-OG 3.35Å; W687-K691 HydrophobicContact CD2-CG 4.28Å; W687-K691 HydrophobicContact CH2-CG 4.47Å; W687-K691 HydrophobicContact CZ2-CG 3.86Å; W687-K691 PolarHBondContact O-N 3.32Å
688	L	92.5	Very high	92.1	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-56.5	-46	175.4	-79.8	172.8	0	0	0	111.4	F527 L645 F676 F684 L685 S690 K691 V692	F527-L688 HydrophobicContact CD1-CD2 3.82Å; L645-L688 HydrophobicContact CD1-CD2 4.23Å; F676-L688 HydrophobicContact CE1-CD1 4.16Å; F676-L688 HydrophobicContact CZ-CD1 4.21Å; F684-L688 HydrophobicContact CD1-CD1 3.62Å; F684-L688 HydrophobicContact CD1-CG 3.76Å; F684-L688 HydrophobicContact CE1-CD1 3.53Å; F684-L688 HydrophobicContact CE1-CD2 3.84Å; F684-L688 HydrophobicContact CE1-CG 3.56Å; F684-L688 HydrophobicContact CZ-CD2 4.35Å; F684-L688 HydrophobicContact CZ-CG 4.39Å; F684-L688 WeakPolarHBondContact O-CB 3.46Å; F684-L688 WeakPolarHBondContact O-CG 3.43Å; F684-L688 PolarHBondContact O-N 3.43Å; L685-L688 HydrophobicContact CD2-CD1 4.22Å; L685-L688 WeakPolarHBondContact O-CB 3.43Å; L685-L688 PolarHBondContact O-N 2.84Å; L688-S690 PolarHBondContact O-N 2.92Å; L688-K691 PolarHBondContact O-N 3.46Å; L688-V692 HydrophobicContact CD2-CG2 4.28Å; L688-V692 WeakPolarHBondContact O-CB 3.26Å; L688-V692 WeakPolarHBondContact O-CG2 3.41Å; L688-V692 PolarHBondContact O-N 2.92Å
689	R	90.8	Very high	91.8	Very high	80 Å²	80	65.1 Å²	65.1	30%	0.302	34%	0.341	S	S	.	.	H	α-helix	trans	-58.9	-27.7	176.6	-70.6	175.1	-171.6	131.9	2.8	113.5	A649 L685 N686 W687	A649-R689 HydrophobicContact CB-CG 4.18Å; A649-R689 WeakPolarHBondContact O-CG 3.24Å; L685-R689 WeakPolarHBondContact O-CG 3.47Å; L685-R689 PolarHBondContact O-N 2.93Å; L685-R689 VanDerWaalsContact O-N 3.08Å; N686-R689 PolarHBondContact O-N 2.78Å; N686-R689 PolarHBondContact OD1-NH1 3.43Å; W687-R689 VanDerWaalsContact C-N 3.33Å; W687-R689 PolarHBondContact O-N 3.49Å
690	S	91.5	Very high	91.6	Very high	79 Å²	79	66.5 Å²	66.5	55%	0.552	35%	0.348	S	S	*	.	H	α-helix	trans	-83	-19	176.5	77.6	0	0	0	0	114.1	N686 W687 L688	N686-S690 PolarHBondContact O-N 3.14Å; W687-S690 WeakPolarHBondContact O-CB 3.34Å; W687-S690 PolarHBondContact O-N 3.47Å; W687-S690 PolarHBondContact O-OG 3.35Å; L688-S690 PolarHBondContact O-N 2.92Å
691	K	92.2	Very high	91.4	Very high	123 Å²	123	66.3 Å²	66.3	54%	0.535	35%	0.346	S	S	.	.	H	α-helix	trans	-106.6	-35	-174.1	-69.5	-59.8	-175.6	-176.3	0	113.6	F527 W687 L688	F527-K691 HydrophobicContact CE1-CB 4.27Å; W687-K691 HydrophobicContact CD2-CG 4.28Å; W687-K691 HydrophobicContact CH2-CG 4.47Å; W687-K691 HydrophobicContact CZ2-CG 3.86Å; W687-K691 PolarHBondContact O-N 3.32Å; L688-K691 PolarHBondContact O-N 3.46Å
692	V	92.2	Very high	91	Very high	14 Å²	14	65.6 Å²	65.6	9%	0.085	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-83.5	131.5	-179.1	-178.3	0	0	0	0	109.1	F527 L645 E646 A649 F650 L688	F527-V692 HydrophobicContact CE1-CG2 4.45Å; L645-V692 HydrophobicContact CB-CG2 4.38Å; E646-V692 HydrophobicContact CB-CG1 4.19Å; E646-V692 HydrophobicContact CG-CG1 3.65Å; A649-V692 HydrophobicContact CB-CB 4.37Å; F650-V692 HydrophobicContact CE2-CG1 4.25Å; F650-V692 VanDerWaalsContact CZ-O 3.29Å; F650-V692 WeakPolarHBondContact CZ-O 3.46Å; L688-V692 HydrophobicContact CD2-CG2 4.28Å; L688-V692 WeakPolarHBondContact O-CB 3.26Å; L688-V692 WeakPolarHBondContact O-CG2 3.41Å; L688-V692 PolarHBondContact O-N 2.92Å
693	Q	89.9	Confident	90.8	Very high	142 Å²	142	64.2 Å²	64.2	66%	0.664	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-97.6	144.5	174.9	-66.4	-62.6	-29.9	0	0	110
694	P	89.4	Confident	90.4	Very high	59 Å²	59	63.2 Å²	63.2	38%	0.383	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-69.8	152.4	174.9	31.1	-32	0	0	0	109.8	F650	F650-P694 HydrophobicContact CD1-CB 4.43Å; F650-P694 HydrophobicContact CD2-CB 4Å; F650-P694 HydrophobicContact CE1-CB 4.31Å; F650-P694 HydrophobicContact CE1-CG 4.28Å; F650-P694 HydrophobicContact CE2-CB 3.89Å; F650-P694 HydrophobicContact CE2-CG 4.37Å; F650-P694 VanDerWaalsContact CE2-N 3.35Å; F650-P694 HydrophobicContact CG-CB 4.3Å; F650-P694 HydrophobicContact CZ-CB 4.07Å; F650-P694 VanDerWaalsContact CZ-CD 3.44Å; F650-P694 HydrophobicContact CZ-CG 4.08Å
695	F	92.4	Very high	90	Very high	23 Å²	23	62 Å²	62	10%	0.101	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65.2	146.2	171.4	-67.3	-63.9	0	0	0	110.5	I575 L634 F643 E646 T656 T657 V659	I575-F695 HydrophobicContact CD1-CE1 3.79Å; I575-F695 HydrophobicContact CD1-CZ 3.79Å; I575-F695 HydrophobicContact CG2-CE1 4.06Å; I575-F695 HydrophobicContact CG2-CZ 4.33Å; L634-F695 HydrophobicContact CD1-CD1 4.14Å; F643-F695 HydrophobicContact CD2-CZ 4.44Å; F643-F695 HydrophobicContact CE2-CE2 4.46Å; F643-F695 HydrophobicContact CE2-CZ 4.26Å; E646-F695 HydrophobicContact CB-CD2 4.24Å; E646-F695 HydrophobicContact CB-CE2 3.8Å; E646-F695 HydrophobicContact CB-CZ 4.48Å; E646-F695 HydrophobicContact CG-CD2 4.18Å; E646-F695 HydrophobicContact CG-CE2 3.54Å; E646-F695 HydrophobicContact CG-CZ 3.73Å; T656-F695 HydrophobicContact CG2-CD2 4.21Å; T656-F695 PolarHBondContact OG1-N 2.67Å; T656-F695 VanDerWaalsContact OG1-N 3.1Å; T657-F695 WeakPolarHBondContact OG1-CB 3.37Å; T657-F695 PolarHBondContact OG1-O 3.46Å; T657-F695 VanDerWaalsContact OG1-O 3.12Å; V659-F695 HydrophobicContact CB-CD2 4.48Å; V659-F695 HydrophobicContact CG1-CB 4.05Å; V659-F695 HydrophobicContact CG1-CD1 4.32Å; V659-F695 HydrophobicContact CG1-CD2 3.93Å; V659-F695 HydrophobicContact CG1-CG 3.84Å; V659-F695 HydrophobicContact CG2-CD2 3.66Å; V659-F695 HydrophobicContact CG2-CE1 4.47Å; V659-F695 HydrophobicContact CG2-CE2 3.46Å; V659-F695 VanDerWaalsContact CG2-CE2 3.46Å; V659-F695 HydrophobicContact CG2-CG 4.27Å; V659-F695 HydrophobicContact CG2-CZ 3.92Å
696	P	91	Very high	89.6	Confident	35 Å²	35	63.7 Å²	63.7	23%	0.227	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-53.4	147.6	178.7	-28.8	36.4	0	0	0	112.9	T657 L701	T657-P696 WeakPolarHBondContact CB-O 3.46Å; T657-P696 VanDerWaalsContact CG2-O 3.25Å; T657-P696 WeakPolarHBondContact CG2-O 3.46Å; T657-P696 PolarHBondContact OG1-O 3.47Å; P696-L701 HydrophobicContact CB-CD2 3.92Å; P696-L701 HydrophobicContact CB-CG 3.93Å; P696-L701 HydrophobicContact CG-CD2 4.38Å
697	S	90.8	Very high	89.2	Confident	49 Å²	49	63.8 Å²	63.8	34%	0.343	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-68.2	156.7	176.2	81.2	0	0	0	0	111.3	E699 E700 L701	S697-E699 PolarHBondContact O-N 2.84Å; S697-E700 PolarHBondContact O-N 3.46Å; S697-E700 WeakPolarHBondContact OG-CB 3.45Å; S697-E700 PolarHBondContact OG-N 3.13Å; S697-L701 WeakPolarHBondContact O-CG 3.33Å; S697-L701 PolarHBondContact O-N 2.89Å
698	V	88.9	Confident	88.7	Confident	54 Å²	54	64.6 Å²	64.6	33%	0.327	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-37	175.5	-179.5	0	0	0	0	110.7	V579 L701 E702	V579-V698 HydrophobicContact CG1-CG1 4.36Å; V698-L701 PolarHBondContact O-N 3.2Å; V698-E702 WeakPolarHBondContact O-CB 2.95Å; V698-E702 WeakPolarHBondContact O-CG 3.25Å; V698-E702 PolarHBondContact O-N 2.72Å
699	E	88.4	Confident	88.1	Confident	156 Å²	156	69 Å²	69	73%	0.729	35%	0.351	S	S	*	.	H	α-helix	trans	-66.8	-40.3	177.1	-61.2	-179.9	170.9	0	0	112.4	S697 E702 S703	S697-E699 PolarHBondContact O-N 2.84Å; E699-E702 PolarHBondContact O-N 3.05Å; E699-S703 WeakPolarHBondContact O-CB 3.3Å; E699-S703 PolarHBondContact O-N 3.19Å
700	E	89.7	Confident	87.7	Confident	79 Å²	79	71.6 Å²	71.6	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-42.3	175	-170	-168	154.5	0	0	111	S697 S703 K704	S697-E700 PolarHBondContact O-N 3.46Å; S697-E700 WeakPolarHBondContact OG-CB 3.45Å; S697-E700 PolarHBondContact OG-N 3.13Å; E700-S703 WeakPolarHBondContact O-CB 3.49Å; E700-S703 PolarHBondContact O-N 3.05Å; E700-K704 HydrophobicContact CG-CD 4.36Å; E700-K704 WeakPolarHBondContact O-CB 3.46Å; E700-K704 WeakPolarHBondContact O-CG 3.48Å; E700-K704 PolarHBondContact O-N 3.22Å; E700-K704 VanDerWaalsContact OE1-CE 3.32Å; E700-K704 WeakPolarHBondContact OE1-CE 3.49Å; E700-K704 IonicContact OE1-NZ 3.33Å; E700-K704 PolarHBondContact OE1-NZ 3.36Å
701	L	89.5	Confident	87.3	Confident	4 Å²	4	74 Å²	74	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-65.3	-42.9	176.1	-70.1	173	0	0	0	112.1	K577 V579 I632 L634 P696 S697 V698 S703 K704 L705	K577-L701 HydrophobicContact CB-CD1 3.96Å; K577-L701 HydrophobicContact CG-CD1 3.61Å; V579-L701 HydrophobicContact CG2-CB 4.13Å; V579-L701 HydrophobicContact CG2-CD1 4.28Å; I632-L701 HydrophobicContact CD1-CB 4.04Å; I632-L701 HydrophobicContact CD1-CD2 4.48Å; I632-L701 HydrophobicContact CG2-CD2 4.5Å; L634-L701 HydrophobicContact CD2-CD1 4.07Å; L634-L701 HydrophobicContact CD2-CD2 3.51Å; L634-L701 HydrophobicContact CD2-CG 4.45Å; P696-L701 HydrophobicContact CB-CD2 3.92Å; P696-L701 HydrophobicContact CB-CG 3.93Å; P696-L701 HydrophobicContact CG-CD2 4.38Å; S697-L701 WeakPolarHBondContact O-CG 3.33Å; S697-L701 PolarHBondContact O-N 2.89Å; V698-L701 PolarHBondContact O-N 3.2Å; L701-S703 VanDerWaalsContact C-N 3.3Å; L701-S703 PolarHBondContact O-N 3.5Å; L701-K704 PolarHBondContact O-N 3.42Å; L701-L705 WeakPolarHBondContact O-CB 3.06Å; L701-L705 PolarHBondContact O-N 3.15Å
702	E	86.9	Confident	86.6	Confident	30 Å²	30	74.4 Å²	74.4	14%	0.14	37%	0.365	C	S	.	.	H	α-helix	trans	-58.5	-43.4	172.6	-78.9	-177	-162.9	0	0	111.2	V579 V698 E699 N706	V579-E702 HydrophobicContact CG1-CG 3.49Å; V579-E702 VanDerWaalsContact CG1-CG 3.49Å; V698-E702 WeakPolarHBondContact O-CB 2.95Å; V698-E702 WeakPolarHBondContact O-CG 3.25Å; V698-E702 PolarHBondContact O-N 2.72Å; E699-E702 PolarHBondContact O-N 3.05Å; E702-N706 WeakPolarHBondContact O-CB 3.38Å; E702-N706 VanDerWaalsContact O-CG 3.27Å; E702-N706 PolarHBondContact O-N 3.1Å; E702-N706 PolarHBondContact O-ND2 2.88Å
703	S	86.1	Confident	86	Confident	71 Å²	71	80.1 Å²	80.1	50%	0.497	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-52.5	177.3	-174.4	0	0	0	0	111.6	E699 E700 L701 L705 N706 T707	E699-S703 WeakPolarHBondContact O-CB 3.3Å; E699-S703 PolarHBondContact O-N 3.19Å; E700-S703 WeakPolarHBondContact O-CB 3.49Å; E700-S703 PolarHBondContact O-N 3.05Å; L701-S703 VanDerWaalsContact C-N 3.3Å; L701-S703 PolarHBondContact O-N 3.5Å; S703-L705 VanDerWaalsContact C-N 3.32Å; S703-L705 PolarHBondContact O-N 3.08Å; S703-N706 PolarHBondContact O-N 3.06Å; S703-N706 VanDerWaalsContact O-N 3.15Å; S703-T707 PolarHBondContact O-N 2.91Å; S703-T707 PolarHBondContact O-OG1 2.88Å; S703-T707 VanDerWaalsContact O-OG1 3.14Å
704	K	86.4	Confident	85.6	Confident	114 Å²	114	79 Å²	79	50%	0.496	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-41.4	177.4	-77.3	177	169.1	169.6	0	112.2	E700 L701 T707 Y708	E700-K704 HydrophobicContact CG-CD 4.36Å; E700-K704 WeakPolarHBondContact O-CB 3.46Å; E700-K704 WeakPolarHBondContact O-CG 3.48Å; E700-K704 PolarHBondContact O-N 3.22Å; E700-K704 VanDerWaalsContact OE1-CE 3.32Å; E700-K704 WeakPolarHBondContact OE1-CE 3.49Å; E700-K704 IonicContact OE1-NZ 3.33Å; E700-K704 PolarHBondContact OE1-NZ 3.36Å; L701-K704 PolarHBondContact O-N 3.42Å; K704-T707 PolarHBondContact O-N 2.81Å; K704-Y708 WeakPolarHBondContact O-CB 3.23Å; K704-Y708 PolarHBondContact O-N 3.46Å
705	L	84.4	Confident	85	Confident	9 Å²	9	82.8 Å²	82.8	5%	0.047	39%	0.389	C	S	.	.	H	α-helix	trans	-62.9	-42.3	176.7	-177.5	65.6	0	0	0	111.6	I206 L581 I630 I632 L701 S703 Y708 R709	I206-L705 HydrophobicContact CD1-CD1 3.38Å; I206-L705 HydrophobicContact CG1-CD1 4.44Å; L581-L705 HydrophobicContact CD2-CD2 3.68Å; I630-L705 HydrophobicContact CD1-CD2 4.34Å; I632-L705 HydrophobicContact CD1-CB 4.41Å; I632-L705 HydrophobicContact CD1-CD2 4.32Å; L701-L705 WeakPolarHBondContact O-CB 3.06Å; L701-L705 PolarHBondContact O-N 3.15Å; S703-L705 VanDerWaalsContact C-N 3.32Å; S703-L705 PolarHBondContact O-N 3.08Å; L705-Y708 PolarHBondContact O-N 3.02Å; L705-R709 WeakPolarHBondContact O-CB 3.22Å; L705-R709 VanDerWaalsContact O-CG 3.29Å; L705-R709 WeakPolarHBondContact O-CG 3.35Å; L705-R709 PolarHBondContact O-N 3.12Å
706	N	83.4	Confident	84.3	Confident	58 Å²	58	87 Å²	87	31%	0.31	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-45.1	176.2	-75.7	-39.7	0	0	0	111.8	E702 S703 Y708 R709 Q710	E702-N706 WeakPolarHBondContact O-CB 3.38Å; E702-N706 VanDerWaalsContact O-CG 3.27Å; E702-N706 PolarHBondContact O-N 3.1Å; E702-N706 PolarHBondContact O-ND2 2.88Å; S703-N706 PolarHBondContact O-N 3.06Å; S703-N706 VanDerWaalsContact O-N 3.15Å; N706-Y708 VanDerWaalsContact C-N 3.34Å; N706-Y708 PolarHBondContact O-N 3.34Å; N706-R709 PolarHBondContact O-N 3.28Å; N706-Q710 WeakPolarHBondContact O-CG 3.25Å; N706-Q710 PolarHBondContact O-N 3.33Å
707	T	84.2	Confident	83.8	Confident	85 Å²	85	89.1 Å²	89.1	52%	0.521	42%	0.416	S	S	.	.	H	α-helix	trans	-58.5	-45.9	175.6	-56	0	0	0	0	111.4	S703 K704 R709 Q710 W711	S703-T707 PolarHBondContact O-N 2.91Å; S703-T707 PolarHBondContact O-OG1 2.88Å; S703-T707 VanDerWaalsContact O-OG1 3.14Å; K704-T707 PolarHBondContact O-N 2.81Å; T707-R709 PolarHBondContact O-N 2.82Å; T707-Q710 PolarHBondContact O-N 3.01Å; T707-W711 WeakPolarHBondContact O-CB 3.49Å; T707-W711 PolarHBondContact O-N 3.38Å
708	Y	81.5	Confident	83.1	Confident	88 Å²	88	89.5 Å²	89.5	35%	0.345	41%	0.414	S	S	.	.	H	α-helix	trans	-61.7	-42.7	176.8	179.2	-104.6	0	0	0	112.5	I206 K704 L705 N706 W711 K712	I206-Y708 HydrophobicContact CD1-CD1 3.75Å; I206-Y708 HydrophobicContact CD1-CE1 3.78Å; K704-Y708 WeakPolarHBondContact O-CB 3.23Å; K704-Y708 PolarHBondContact O-N 3.46Å; L705-Y708 PolarHBondContact O-N 3.02Å; N706-Y708 VanDerWaalsContact C-N 3.34Å; N706-Y708 PolarHBondContact O-N 3.34Å; Y708-W711 PolarHBondContact O-N 2.53Å; Y708-K712 WeakPolarHBondContact O-CB 2.98Å; Y708-K712 PolarHBondContact O-N 2.8Å
709	R	81.1	Confident	82.6	Confident	98 Å²	98	91 Å²	91	37%	0.37	42%	0.419	S	S	.	.	H	α-helix	trans	-61.8	-46.7	175.9	-74.7	175.6	67.8	151.3	4.1	111.7	L705 N706 T707 W711 K712 M713	L705-R709 WeakPolarHBondContact O-CB 3.22Å; L705-R709 VanDerWaalsContact O-CG 3.29Å; L705-R709 WeakPolarHBondContact O-CG 3.35Å; L705-R709 PolarHBondContact O-N 3.12Å; N706-R709 PolarHBondContact O-N 3.28Å; T707-R709 PolarHBondContact O-N 2.82Å; R709-W711 VanDerWaalsContact C-N 3.34Å; R709-W711 PolarHBondContact O-N 3.36Å; R709-K712 PolarHBondContact O-N 3.08Å; R709-M713 WeakPolarHBondContact O-CG 3.13Å; R709-M713 PolarHBondContact O-N 3.09Å
710	Q	81.7	Confident	81.9	Confident	133 Å²	133	88.1 Å²	88.1	62%	0.621	41%	0.405	S	S	*	.	H	α-helix	trans	-59.6	-45.5	177.6	-72.8	176	7.1	0	0	111.3	N706 T707 K712 M713 Y714	N706-Q710 WeakPolarHBondContact O-CG 3.25Å; N706-Q710 PolarHBondContact O-N 3.33Å; T707-Q710 PolarHBondContact O-N 3.01Å; Q710-K712 PolarHBondContact O-N 3Å; Q710-M713 PolarHBondContact O-N 2.72Å; Q710-Y714 WeakPolarHBondContact O-CB 3.22Å; Q710-Y714 PolarHBondContact O-N 3.05Å
711	W	82.3	Confident	81.2	Confident	130 Å²	130	87.5 Å²	87.5	49%	0.492	41%	0.405	S	S	.	.	H	α-helix	trans	-61.7	-43.2	176.4	-178.3	90.7	0	0	0	112.3	T707 Y708 R709 M713 Y714 R715	T707-W711 WeakPolarHBondContact O-CB 3.49Å; T707-W711 PolarHBondContact O-N 3.38Å; Y708-W711 PolarHBondContact O-N 2.53Å; R709-W711 VanDerWaalsContact C-N 3.34Å; R709-W711 PolarHBondContact O-N 3.36Å; W711-M713 VanDerWaalsContact C-N 3.32Å; W711-M713 PolarHBondContact O-N 3.19Å; W711-Y714 PolarHBondContact O-N 3.3Å; W711-R715 WeakPolarHBondContact O-CB 3.41Å; W711-R715 PolarHBondContact O-N 2.94Å
712	K	77.8	Confident	80.4	Confident	131 Å²	131	93.6 Å²	93.6	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-62.9	-39.8	177.8	-170	175.6	-179.9	177.9	0	111.6	Y708 R709 Q710 H716	Y708-K712 WeakPolarHBondContact O-CB 2.98Å; Y708-K712 PolarHBondContact O-N 2.8Å; R709-K712 PolarHBondContact O-N 3.08Å; Q710-K712 PolarHBondContact O-N 3Å; K712-H716 WeakPolarHBondContact O-CB 3.41Å; K712-H716 PolarHBondContact O-N 3.46Å
713	M	79.8	Confident	79.7	Confident	135 Å²	135	95.9 Å²	95.9	67%	0.665	45%	0.451	S	S	*	.	H	α-helix	trans	-65.1	-47.6	174.5	-69.6	-178.1	77.2	0	0	111.6	R709 Q710 W711 H716 H717	R709-M713 WeakPolarHBondContact O-CG 3.13Å; R709-M713 PolarHBondContact O-N 3.09Å; Q710-M713 PolarHBondContact O-N 2.72Å; W711-M713 VanDerWaalsContact C-N 3.32Å; W711-M713 PolarHBondContact O-N 3.19Å; M713-H716 PolarHBondContact O-N 2.87Å; M713-H717 PolarHBondContact O-N 3.1Å
714	Y	81.9	Confident	78.7	Confident	119 Å²	119	95.5 Å²	95.5	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-57.6	-51	176.7	174.7	-101.1	0	0	0	111.6	Q710 W711 H716 H717 I718	Q710-Y714 WeakPolarHBondContact O-CB 3.22Å; Q710-Y714 PolarHBondContact O-N 3.05Å; W711-Y714 PolarHBondContact O-N 3.3Å; Y714-H716 VanDerWaalsContact C-N 3.32Å; Y714-H716 PolarHBondContact O-N 2.74Å; Y714-H717 WeakPolarHBondContact O-CB 3.38Å; Y714-H717 PolarHBondContact O-N 2.64Å; Y714-H717 VanDerWaalsContact O-N 3.14Å; Y714-I718 HydrophobicContact CD1-CG1 4.37Å; Y714-I718 HydrophobicContact CD2-CG1 4.38Å; Y714-I718 HydrophobicContact CE1-CG1 3.94Å; Y714-I718 HydrophobicContact CE2-CD1 4.01Å; Y714-I718 HydrophobicContact CE2-CG1 3.95Å; Y714-I718 WeakPolarHBondContact O-CG1 3.28Å; Y714-I718 PolarHBondContact O-N 3.48Å
715	R	77.9	Confident	77.2	Confident	137 Å²	137	93.7 Å²	93.7	52%	0.517	45%	0.449	S	S	.	.	H	α-helix	trans	-58.5	-42.6	177.5	179.5	177.8	173.3	-159.7	2.9	112.1	W711 H717 I719	W711-R715 WeakPolarHBondContact O-CB 3.41Å; W711-R715 PolarHBondContact O-N 2.94Å; R715-H717 VanDerWaalsContact C-N 3.33Å; R715-I719 HydrophobicContact CG-CD1 3.92Å; R715-I719 VanDerWaalsContact O-CG1 3.28Å; R715-I719 WeakPolarHBondContact O-CG1 3.16Å; R715-I719 PolarHBondContact O-N 2.94Å
716	H	77	Confident	75.4	Confident	111 Å²	111	97.6 Å²	97.6	51%	0.514	47%	0.473	S	S	.	.	H	α-helix	trans	-63.1	-42	177.9	-167.8	78.6	0	0	0	111.6	K712 M713 Y714 I719 Q720	K712-H716 WeakPolarHBondContact O-CB 3.41Å; K712-H716 PolarHBondContact O-N 3.46Å; M713-H716 PolarHBondContact O-N 2.87Å; Y714-H716 VanDerWaalsContact C-N 3.32Å; Y714-H716 PolarHBondContact O-N 2.74Å; H716-I719 PolarHBondContact O-N 2.91Å; H716-Q720 PolarHBondContact CD2-NE2 3.48Å; H716-Q720 VanDerWaalsContact CD2-NE2 3.27Å; H716-Q720 PolarHBondContact NE2-NE2 2.88Å; H716-Q720 WeakPolarHBondContact O-CG 3.34Å; H716-Q720 PolarHBondContact O-N 3.14Å
717	H	80	Confident	73.5	Confident	81 Å²	81	104.9 Å²	104.9	38%	0.375	50%	0.496	S	S	.	.	H	α-helix	trans	-62.4	-48.8	177.6	-172.9	38.6	0	0	0	112	M713 Y714 R715 I719 Q720 D721	M713-H717 PolarHBondContact O-N 3.1Å; Y714-H717 WeakPolarHBondContact O-CB 3.38Å; Y714-H717 PolarHBondContact O-N 2.64Å; Y714-H717 VanDerWaalsContact O-N 3.14Å; R715-H717 VanDerWaalsContact C-N 3.33Å; H717-I719 VanDerWaalsContact C-N 3.32Å; H717-I719 PolarHBondContact O-N 2.76Å; H717-Q720 WeakPolarHBondContact O-CB 3.48Å; H717-Q720 PolarHBondContact O-N 2.83Å; H717-Q720 VanDerWaalsContact O-N 3.1Å; H717-D721 IonicContact CD2-OD2 2.7Å; H717-D721 IonicContact CE1-OD1 3.71Å; H717-D721 IonicContact CE1-OD2 3.95Å; H717-D721 PolarHBondContact CE1-OD2 2.95Å; H717-D721 IonicContact ND1-OD1 3.95Å; H717-D721 IonicContact ND1-OD2 3.54Å; H717-D721 IonicContact NE2-OD2 3.87Å; H717-D721 PolarHBondContact O-N 3.38Å
718	I	77.3	Confident	71.6	Confident	57 Å²	57	104.5 Å²	104.5	29%	0.292	50%	0.497	S	S	.	.	H	α-helix	trans	-59.8	-41.2	177.3	-63.5	-63.4	0	0	0	111.9	Y714 D721 M722	Y714-I718 HydrophobicContact CD1-CG1 4.37Å; Y714-I718 HydrophobicContact CD2-CG1 4.38Å; Y714-I718 HydrophobicContact CE1-CG1 3.94Å; Y714-I718 HydrophobicContact CE2-CD1 4.01Å; Y714-I718 HydrophobicContact CE2-CG1 3.95Å; Y714-I718 WeakPolarHBondContact O-CG1 3.28Å; Y714-I718 PolarHBondContact O-N 3.48Å; I718-D721 PolarHBondContact O-N 3.2Å; I718-M722 WeakPolarHBondContact O-CB 3.43Å; I718-M722 VanDerWaalsContact O-CG 3.31Å; I718-M722 WeakPolarHBondContact O-CG 3.42Å; I718-M722 PolarHBondContact O-N 2.7Å
719	I	77.4	Confident	69.5	Low	86 Å²	86	105.1 Å²	105.1	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-64.1	-42.8	176.3	-68.8	169	0	0	0	110.7	R715 H716 H717 M722 T723	R715-I719 HydrophobicContact CG-CD1 3.92Å; R715-I719 VanDerWaalsContact O-CG1 3.28Å; R715-I719 WeakPolarHBondContact O-CG1 3.16Å; R715-I719 PolarHBondContact O-N 2.94Å; H716-I719 PolarHBondContact O-N 2.91Å; H717-I719 VanDerWaalsContact C-N 3.32Å; H717-I719 PolarHBondContact O-N 2.76Å; I719-M722 PolarHBondContact O-N 3.5Å; I719-T723 HydrophobicContact CG2-CG2 4.41Å; I719-T723 VanDerWaalsContact O-CG2 3.3Å; I719-T723 WeakPolarHBondContact O-CG2 3.29Å; I719-T723 PolarHBondContact O-N 2.76Å; I719-T723 PolarHBondContact O-OG1 2.88Å
720	Q	73.8	Confident	67.3	Low	95 Å²	95	107.7 Å²	107.7	44%	0.444	53%	0.534	S	S	.	.	H	α-helix	trans	-60.6	-46.6	177.1	-76	-175.7	-10.5	0	0	111.5	H716 H717 M722 T723 S724	H716-Q720 PolarHBondContact CD2-NE2 3.48Å; H716-Q720 VanDerWaalsContact CD2-NE2 3.27Å; H716-Q720 PolarHBondContact NE2-NE2 2.88Å; H716-Q720 WeakPolarHBondContact O-CG 3.34Å; H716-Q720 PolarHBondContact O-N 3.14Å; H717-Q720 WeakPolarHBondContact O-CB 3.48Å; H717-Q720 PolarHBondContact O-N 2.83Å; H717-Q720 VanDerWaalsContact O-N 3.1Å; Q720-M722 PolarHBondContact O-N 2.91Å; Q720-T723 WeakPolarHBondContact CA-OG1 3.42Å; Q720-T723 PolarHBondContact O-N 3.04Å; Q720-T723 VanDerWaalsContact O-N 3.16Å; Q720-T723 PolarHBondContact O-OG1 2.9Å; Q720-S724 PolarHBondContact O-N 2.89Å; Q720-S724 PolarHBondContact O-OG 3.23Å
721	D	75.1	Confident	65.3	Low	66 Å²	66	110.3 Å²	110.3	35%	0.353	56%	0.559	S	S	.	*	H	α-helix	trans	-63	-41.2	179.4	-67.3	-11.8	0	0	0	112	H717 I718 T723 S724 C725	H717-D721 IonicContact CD2-OD2 2.7Å; H717-D721 IonicContact CE1-OD1 3.71Å; H717-D721 IonicContact CE1-OD2 3.95Å; H717-D721 PolarHBondContact CE1-OD2 2.95Å; H717-D721 IonicContact ND1-OD1 3.95Å; H717-D721 IonicContact ND1-OD2 3.54Å; H717-D721 IonicContact NE2-OD2 3.87Å; H717-D721 PolarHBondContact O-N 3.38Å; I718-D721 PolarHBondContact O-N 3.2Å; D721-T723 VanDerWaalsContact C-N 3.34Å; D721-T723 PolarHBondContact O-N 3.24Å; D721-S724 WeakPolarHBondContact CA-OG 3.41Å; D721-S724 PolarHBondContact O-N 3.33Å; D721-S724 PolarHBondContact O-OG 3.22Å; D721-C725 WeakPolarHBondContact O-CB 3.34Å; D721-C725 PolarHBondContact O-N 2.98Å
722	M	72.6	Confident	64.4	Low	132 Å²	132	109.4 Å²	109.4	65%	0.65	56%	0.562	S	S	*	*	H	α-helix	trans	-64.7	-37.2	174.5	-73.5	-73	-179.6	0	0	112.5	I718 I719 Q720 T726	I718-M722 WeakPolarHBondContact O-CB 3.43Å; I718-M722 VanDerWaalsContact O-CG 3.31Å; I718-M722 WeakPolarHBondContact O-CG 3.42Å; I718-M722 PolarHBondContact O-N 2.7Å; I719-M722 PolarHBondContact O-N 3.5Å; Q720-M722 PolarHBondContact O-N 2.91Å; M722-T726 PolarHBondContact O-N 3.43Å; M722-T726 PolarHBondContact O-OG1 3.28Å
723	T	73	Confident	63.7	Low	78 Å²	78	108.2 Å²	108.2	48%	0.479	56%	0.562	S	S	.	*	H	α-helix	trans	-76.7	-26.5	178	59.4	0	0	0	0	114	I719 Q720 D721 T726	I719-T723 HydrophobicContact CG2-CG2 4.41Å; I719-T723 VanDerWaalsContact O-CG2 3.3Å; I719-T723 WeakPolarHBondContact O-CG2 3.29Å; I719-T723 PolarHBondContact O-N 2.76Å; I719-T723 PolarHBondContact O-OG1 2.88Å; Q720-T723 WeakPolarHBondContact CA-OG1 3.42Å; Q720-T723 PolarHBondContact O-N 3.04Å; Q720-T723 VanDerWaalsContact O-N 3.16Å; Q720-T723 PolarHBondContact O-OG1 2.9Å; D721-T723 VanDerWaalsContact C-N 3.34Å; D721-T723 PolarHBondContact O-N 3.24Å; T723-T726 WeakPolarHBondContact CA-OG1 3.48Å; T723-T726 PolarHBondContact O-OG1 2.86Å; T723-T726 VanDerWaalsContact O-OG1 3.12Å
724	S	64.5	Low	62.8	Low	63 Å²	63	106.7 Å²	106.7	44%	0.441	56%	0.556	S	S	.	*	H	α-helix	trans	-78.2	-41.9	175.7	63.8	0	0	0	0	111	Q720 D721 T726 R727 S728	Q720-S724 PolarHBondContact O-N 2.89Å; Q720-S724 PolarHBondContact O-OG 3.23Å; D721-S724 WeakPolarHBondContact CA-OG 3.41Å; D721-S724 PolarHBondContact O-N 3.33Å; D721-S724 PolarHBondContact O-OG 3.22Å; S724-T726 VanDerWaalsContact C-N 3.31Å; S724-T726 PolarHBondContact O-N 3.29Å; S724-R727 PolarHBondContact O-N 3.21Å; S724-R727 VanDerWaalsContact O-N 3.11Å; S724-S728 PolarHBondContact O-N 2.83Å
725	C	54	Low	61.7	Low	76 Å²	76	106 Å²	106	51%	0.514	56%	0.562	S	S	.	*	H	α-helix	trans	-62.4	-34.2	174	-78.7	0	0	0	0	113.3	D721 R727 S728 C729	D721-C725 WeakPolarHBondContact O-CB 3.34Å; D721-C725 PolarHBondContact O-N 2.98Å; C725-R727 VanDerWaalsContact C-N 3.3Å; C725-R727 PolarHBondContact O-N 3.18Å; C725-S728 WeakPolarHBondContact CA-OG 3.27Å; C725-S728 PolarHBondContact O-N 3.48Å; C725-S728 PolarHBondContact O-OG 3.23Å; C725-C729 PolarHBondContact O-N 3.46Å
726	T	47.2	Very low	60.7	Low	90 Å²	90	104.1 Å²	104.1	55%	0.552	56%	0.564	S	S	*	*	H	α-helix	trans	-72.9	-20.5	175.7	40.6	0	0	0	0	113.6	M722 T723 S724	M722-T726 PolarHBondContact O-N 3.43Å; M722-T726 PolarHBondContact O-OG1 3.28Å; T723-T726 WeakPolarHBondContact CA-OG1 3.48Å; T723-T726 PolarHBondContact O-OG1 2.86Å; T723-T726 VanDerWaalsContact O-OG1 3.12Å; S724-T726 VanDerWaalsContact C-N 3.31Å; S724-T726 PolarHBondContact O-N 3.29Å
727	R	43.2	Very low	59.6	Low	211 Å²	211	103.6 Å²	103.6	80%	0.796	57%	0.568	S	S	*	*	H	α-helix	trans	-79.6	-28.5	170.4	-76.5	-175.4	175	-177.7	-0.3	112.7	S724 C725	S724-R727 PolarHBondContact O-N 3.21Å; S724-R727 VanDerWaalsContact O-N 3.11Å; C725-R727 VanDerWaalsContact C-N 3.3Å; C725-R727 PolarHBondContact O-N 3.18Å
728	S	44.7	Very low	58.1	Low	77 Å²	77	105.2 Å²	105.2	54%	0.538	58%	0.581	S	S	.	*	H	α-helix	trans	-79.8	-17.2	176.8	52.9	0	0	0	0	114.4	S724 C725	S724-S728 PolarHBondContact O-N 2.83Å; C725-S728 WeakPolarHBondContact CA-OG 3.27Å; C725-S728 PolarHBondContact O-N 3.48Å; C725-S728 PolarHBondContact O-OG 3.23Å
729	C	38.5	Very low	56.7	Low	101 Å²	101	108.9 Å²	108.9	68%	0.682	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	4.6	177.5	-66.1	0	0	0	0	114.6	C725	C725-C729 PolarHBondContact O-N 3.46Å
730	N	34.6	Very low	54.9	Low	152 Å²	152	110.8 Å²	110.8	81%	0.813	62%	0.617	S	S	*	*			trans	-114.9	52.2	167.7	-82.2	-26.8	0	0	0	110.1
731	V	38.3	Very low	53.2	Low	189 Å²	189	112.3 Å²	112.3	100%	1.145	63%	0.633	S	S	*	*			trans	-131.9	0	157.6	-176.8	0	0	0	0	105.2

Retrieved 731 of 731 residues in 1124.5 ms (Link to these results)

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