A0A087YCW7_POEFO Loading...

Abhydrolase domain containing 16A, phospholipase

AlphaFold DB , UniProt , Accession A0A087YCW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 566 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	35.2	Very low	30	Very low	245 Å²	245	166.2 Å²	166.2	100%	1.207	85%	0.854	S	S	*	*				0	116.5	0	-155.7	167.5	-177.8	0	0	106.7
2	Y	27.8	Very low	30.1	Very low	211 Å²	211	169 Å²	169	83%	0.827	86%	0.855	S	S	*	*			trans	-53.1	143.4	-174.7	-81.8	-106.7	0	0	0	113
3	V	27.8	Very low	30.3	Very low	140 Å²	140	164.6 Å²	164.6	85%	0.848	85%	0.85	S	S	*	*				-159.5	135.9	120	170.4	0	0	0	0	109.4
4	I	31.8	Very low	30.9	Very low	135 Å²	135	161.2 Å²	161.2	69%	0.692	86%	0.858	S	S	*	*			trans	-90.7	135.4	-176.2	-66.5	158.6	0	0	0	109.9
5	I	31.3	Very low	31.3	Very low	168 Å²	168	154.5 Å²	154.5	86%	0.862	84%	0.842	S	S	*	*			trans	-146.4	122.3	147.2	-55.9	-175.5	0	0	0	108.5
6	G	27.7	Very low	31.6	Very low	58 Å²	58	152.1 Å²	152.1	60%	0.598	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-83.9	171.7	-172.5	0	0	0	0	0	115.9
7	P	30.8	Very low	32	Very low	128 Å²	128	157.1 Å²	157.1	83%	0.831	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-91.4	146.1	179.3	33.7	-29	0	0	0	113.3
8	L	29.3	Very low	32.7	Very low	173 Å²	173	154.1 Å²	154.1	91%	0.906	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-50	133.5	179.1	-82.8	83.1	0	0	0	114.3	K10	L8-K10 PolarHBondContact O-N 2.88Å
9	Y	27.6	Very low	33.4	Very low	227 Å²	227	153.4 Å²	153.4	89%	0.89	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-61.8	120.2	160.9	-91.7	-99.1	0	0	0	111	V11	Y9-V11 PolarHBondContact O-N 3.18Å
10	K	30.2	Very low	34.1	Very low	202 Å²	202	156.1 Å²	156.1	88%	0.878	82%	0.823	S	S	*	*			trans	-72.5	113.3	162.9	-111.2	177.4	178.8	173.6	0	109.1	L8 K12	L8-K10 PolarHBondContact O-N 2.88Å; K10-K12 PolarHBondContact O-N 3.49Å
11	V	31	Very low	35.1	Very low	141 Å²	141	150.5 Å²	150.5	86%	0.855	80%	0.803	S	S	*	*			trans	-64.6	108.5	164.4	176.4	0	0	0	0	108.2	Y9	Y9-V11 PolarHBondContact O-N 3.18Å
12	K	30.7	Very low	36.4	Very low	200 Å²	200	140.9 Å²	140.9	87%	0.87	77%	0.767	S	S	*	*			trans	-75.2	120.8	166	-90.4	-178.3	175.5	175.4	0	108.5	K10 A14	K10-K12 PolarHBondContact O-N 3.49Å; K12-A14 PolarHBondContact O-N 3.38Å
13	S	32.7	Very low	38.4	Very low	112 Å²	112	139.8 Å²	139.8	78%	0.783	76%	0.762	S	S	*	*			trans	-66.7	122.8	175.5	66.2	0	0	0	0	111.4	G15	S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact O-N 3.29Å
14	A	38.9	Very low	40.4	Very low	117 Å²	117	139.5 Å²	139.5	97%	0.967	75%	0.753	S	S	*	*			trans	-82.4	77.4	165.6	0	0	0	0	0	108.9	K12	K12-A14 PolarHBondContact O-N 3.38Å
15	G	36.3	Very low	42.6	Very low	60 Å²	60	135 Å²	135	62%	0.619	74%	0.735	S	S	*	*			trans	-125	-8.5	-172.8	0	0	0	0	0	117.1	S13	S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact O-N 3.29Å
16	C	36.1	Very low	45.1	Very low	116 Å²	116	130 Å²	130	78%	0.784	72%	0.719	S	S	*	*	S	Bend	trans	-116.9	3.9	-165.2	-136.7	0	0	0	0	116.4
17	R	38.1	Very low	47.8	Very low	237 Å²	237	132.8 Å²	132.8	89%	0.894	71%	0.712	S	S	*	*	S	Bend	trans	-92.3	-27.5	176.9	-81.7	-176.3	-178.5	177.7	0.4	114.7
18	S	45.6	Very low	50.5	Low	103 Å²	103	129 Å²	129	72%	0.72	68%	0.684	S	S	*	*	H	α-helix	trans	-70	-41.2	-176.3	173.7	0	0	0	0	113.1	R20 G21 G22	S18-R20 PolarHBondContact O-N 3.29Å; S18-G21 PolarHBondContact O-N 3.49Å; S18-G22 PolarHBondContact O-N 3.32Å; S18-G22 VanDerWaalsContact O-N 3.09Å
19	H	45.9	Very low	53.3	Low	142 Å²	142	123.1 Å²	123.1	66%	0.657	65%	0.653	S	S	*	*	H	α-helix	trans	-69.4	-32.3	-174.6	-116.2	-44.2	0	0	0	114.4	R23	H19-R23 WeakPolarHBondContact O-CG 3.36Å; H19-R23 PolarHBondContact O-N 3.31Å
20	R	47.3	Very low	56.3	Low	206 Å²	206	118.1 Å²	118.1	78%	0.777	63%	0.633	S	S	*	*	H	α-helix	trans	-70.8	-41.9	173.3	-101.5	-176.1	-175.4	-174.9	2.4	111.5	S18 R23 M24	S18-R20 PolarHBondContact O-N 3.29Å; R20-R23 PolarHBondContact O-N 3.09Å; R20-M24 WeakPolarHBondContact O-CG 3.47Å; R20-M24 PolarHBondContact O-N 2.94Å; R20-M24 VanDerWaalsContact O-N 3.09Å
21	G	54.1	Low	59.1	Low	39 Å²	39	112.2 Å²	112.2	40%	0.402	61%	0.605	S	S	.	*	H	α-helix	trans	-61.8	-45.3	178.7	0	0	0	0	0	113	S18 M24 A25	S18-G21 PolarHBondContact O-N 3.49Å; G21-M24 PolarHBondContact O-N 3.46Å; G21-A25 PolarHBondContact O-N 2.93Å
22	G	63.4	Low	62	Low	44 Å²	44	105.5 Å²	105.5	45%	0.454	57%	0.565	S	S	.	*	H	α-helix	trans	-64.4	-40	178.2	0	0	0	0	0	113.8	S18 A25 A26	S18-G22 PolarHBondContact O-N 3.32Å; S18-G22 VanDerWaalsContact O-N 3.09Å; G22-A25 PolarHBondContact O-N 3Å; G22-A26 WeakPolarHBondContact O-CB 3.07Å; G22-A26 PolarHBondContact O-N 2.74Å
23	R	69.1	Low	64.9	Low	188 Å²	188	96.6 Å²	96.6	71%	0.709	53%	0.527	S	S	*	.	H	α-helix	trans	-66.4	-39.8	175.8	-74.5	-177.3	-179.6	-175.1	1.7	112.3	H19 R20 W27	H19-R23 WeakPolarHBondContact O-CG 3.36Å; H19-R23 PolarHBondContact O-N 3.31Å; R20-R23 PolarHBondContact O-N 3.09Å; R23-W27 WeakPolarHBondContact O-CB 3.33Å; R23-W27 PolarHBondContact O-N 2.97Å
24	M	71.2	Confident	67.6	Low	133 Å²	133	96.7 Å²	96.7	66%	0.655	51%	0.514	S	S	*	.	H	α-helix	trans	-67.4	-39.4	176.7	-67.2	-140.6	-55.8	0	0	112.3	R20 G21 W27 M28	R20-M24 WeakPolarHBondContact O-CG 3.47Å; R20-M24 PolarHBondContact O-N 2.94Å; R20-M24 VanDerWaalsContact O-N 3.09Å; G21-M24 PolarHBondContact O-N 3.46Å; M24-W27 PolarHBondContact O-N 2.92Å; M24-M28 WeakPolarHBondContact O-CB 3.42Å; M24-M28 PolarHBondContact O-N 2.7Å
25	A	77.6	Confident	70	Confident	40 Å²	40	91.5 Å²	91.5	33%	0.331	47%	0.472	S	S	.	.	H	α-helix	trans	-65.7	-44.4	176.8	0	0	0	0	0	112.4	G21 G22 W27 M28 L29 W132	G21-A25 PolarHBondContact O-N 2.93Å; G22-A25 PolarHBondContact O-N 3Å; A25-W27 VanDerWaalsContact C-N 3.33Å; A25-W27 PolarHBondContact O-N 3.23Å; A25-M28 PolarHBondContact O-N 3.4Å; A25-L29 PolarHBondContact O-N 3.3Å; A25-W132 HydrophobicContact CB-CZ2 4.47Å
26	A	82.7	Confident	72.7	Confident	63 Å²	63	88.8 Å²	88.8	52%	0.521	44%	0.443	S	S	.	.	H	α-helix	trans	-62.8	-39.9	176.4	0	0	0	0	0	112.2	G22 L29 Y30	G22-A26 WeakPolarHBondContact O-CB 3.07Å; G22-A26 PolarHBondContact O-N 2.74Å; A26-L29 PolarHBondContact O-N 3.06Å; A26-Y30 PolarHBondContact O-N 3.41Å
27	W	85.9	Confident	75.4	Confident	117 Å²	117	85.5 Å²	85.5	44%	0.443	42%	0.416	S	S	.	.	H	α-helix	trans	-67.7	-41.3	177.6	-172.8	46.6	0	0	0	112.4	R23 M24 A25 Y30 R31	R23-W27 WeakPolarHBondContact O-CB 3.33Å; R23-W27 PolarHBondContact O-N 2.97Å; M24-W27 PolarHBondContact O-N 2.92Å; A25-W27 VanDerWaalsContact C-N 3.33Å; A25-W27 PolarHBondContact O-N 3.23Å; W27-Y30 WeakPolarHBondContact O-CB 3.37Å; W27-Y30 PolarHBondContact O-N 2.72Å; W27-R31 WeakPolarHBondContact O-CG 3.14Å; W27-R31 PolarHBondContact O-N 3.44Å; W27-R31 VanDerWaalsContact O-N 3.08Å
28	M	86.6	Confident	78	Confident	49 Å²	49	74.2 Å²	74.2	24%	0.241	37%	0.373	C	S	.	.	H	α-helix	trans	-62.4	-43.2	174	-170.9	64	72.1	0	0	111.7	M24 A25 Y30 R31 C32 V138 I141	M24-M28 WeakPolarHBondContact O-CB 3.42Å; M24-M28 PolarHBondContact O-N 2.7Å; A25-M28 PolarHBondContact O-N 3.4Å; M28-Y30 VanDerWaalsContact C-N 3.34Å; M28-Y30 PolarHBondContact O-N 3.36Å; M28-R31 WeakPolarHBondContact O-CB 3.41Å; M28-R31 PolarHBondContact O-N 3.43Å; M28-R31 VanDerWaalsContact O-N 3.14Å; M28-C32 PolarHBondContact O-N 3.37Å; M28-C32 PolarHBondContact O-SG 3.23Å; M28-C32 VanDerWaalsContact O-SG 3.34Å; M28-V138 HydrophobicContact SD-CG1 4.43Å; M28-I141 HydrophobicContact SD-CG2 3.74Å
29	L	88.6	Confident	80.2	Confident	50 Å²	50	70.6 Å²	70.6	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-43.5	176.8	-178.3	64.1	0	0	0	111.6	A25 A26 R31 C32 V33 W129 W132	A25-L29 PolarHBondContact O-N 3.3Å; A26-L29 PolarHBondContact O-N 3.06Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 2.94Å; L29-C32 PolarHBondContact O-N 3.28Å; L29-C32 VanDerWaalsContact O-N 3.1Å; L29-V33 WeakPolarHBondContact O-CG2 3.42Å; L29-V33 PolarHBondContact O-N 3.5Å; L29-W129 HydrophobicContact CD1-CE3 4.05Å; L29-W129 HydrophobicContact CD2-CE3 4.31Å; L29-W132 HydrophobicContact CD1-CB 3.87Å; L29-W132 HydrophobicContact CD1-CD2 4.3Å; L29-W132 HydrophobicContact CD1-CE3 4.3Å; L29-W132 HydrophobicContact CD1-CG 4.13Å
30	Y	90.3	Very high	82.5	Confident	122 Å²	122	65.7 Å²	65.7	48%	0.478	32%	0.321	S	S	.	.	H	α-helix	trans	-56.6	-44.3	173.8	174.8	-93.9	0	0	0	111.7	A26 W27 M28 C32 V33 F34	A26-Y30 PolarHBondContact O-N 3.41Å; W27-Y30 WeakPolarHBondContact O-CB 3.37Å; W27-Y30 PolarHBondContact O-N 2.72Å; M28-Y30 VanDerWaalsContact C-N 3.34Å; M28-Y30 PolarHBondContact O-N 3.36Å; Y30-C32 VanDerWaalsContact C-N 3.32Å; Y30-C32 PolarHBondContact O-N 3.15Å; Y30-V33 PolarHBondContact O-N 3.41Å; Y30-F34 AromaticContact CD2-CD2 3.67Å; Y30-F34 HydrophobicContact CD2-CD2 3.67Å; Y30-F34 AromaticContact CD2-CE2 3.64Å; Y30-F34 HydrophobicContact CD2-CE2 3.64Å; Y30-F34 HydrophobicContact CE1-CD2 4.28Å; Y30-F34 AromaticContact CE2-CD2 3.39Å; Y30-F34 HydrophobicContact CE2-CD2 3.39Å; Y30-F34 AromaticContact CE2-CE2 3.31Å; Y30-F34 HydrophobicContact CE2-CE2 3.31Å; Y30-F34 HydrophobicContact CE2-CZ 4.4Å; Y30-F34 HydrophobicContact CG-CD2 4.23Å; Y30-F34 AromaticContact CZ-CD2 3.71Å; Y30-F34 WeakPolarHBondContact O-CD2 3.48Å; Y30-F34 PolarHBondContact O-N 2.93Å; Y30-F34 VanDerWaalsContact O-N 3.11Å
31	R	89.6	Confident	84.7	Confident	77 Å²	77	56.5 Å²	56.5	29%	0.291	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-32.8	175.5	-66.8	-57.5	-165	-167.3	9.9	113	W27 M28 L29 G35 I141 E145	W27-R31 WeakPolarHBondContact O-CG 3.14Å; W27-R31 PolarHBondContact O-N 3.44Å; W27-R31 VanDerWaalsContact O-N 3.08Å; M28-R31 WeakPolarHBondContact O-CB 3.41Å; M28-R31 PolarHBondContact O-N 3.43Å; M28-R31 VanDerWaalsContact O-N 3.14Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 2.94Å; R31-G35 WeakPolarHBondContact O-CA 3.47Å; R31-G35 PolarHBondContact O-N 2.94Å; R31-I141 HydrophobicContact CB-CG1 3.95Å; R31-E145 HydrophobicContact CG-CG 4.49Å; R31-E145 IonicContact CZ-OE1 2.68Å; R31-E145 IonicContact CZ-OE2 3.74Å; R31-E145 IonicContact NE-OE1 2.75Å; R31-E145 PolarHBondContact NE-OE1 2.9Å; R31-E145 IonicContact NE-OE2 2.92Å; R31-E145 PolarHBondContact NE-OE2 3.41Å; R31-E145 IonicContact NH1-OE1 3.4Å; R31-E145 IonicContact NH2-OE1 3.06Å; R31-E145 IonicContact NH2-OE2 3.45Å; R31-E145 PolarHBondContact NH2-OE2 3.18Å
32	C	91.1	Very high	86.3	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-71.1	-33.9	173.8	-66.2	0	0	0	0	113	M28 L29 Y30 G128 R131 W132 Y137	M28-C32 PolarHBondContact O-N 3.37Å; M28-C32 PolarHBondContact O-SG 3.23Å; M28-C32 VanDerWaalsContact O-SG 3.34Å; L29-C32 PolarHBondContact O-N 3.28Å; L29-C32 VanDerWaalsContact O-N 3.1Å; Y30-C32 VanDerWaalsContact C-N 3.32Å; Y30-C32 PolarHBondContact O-N 3.15Å; C32-G128 VanDerWaalsContact CB-O 3.29Å; C32-G128 WeakPolarHBondContact CB-O 3.44Å; C32-R131 HydrophobicContact CB-CB 3.92Å; C32-R131 VanDerWaalsContact O-CD 3.27Å; C32-R131 WeakPolarHBondContact O-CD 3.27Å; C32-W132 HydrophobicContact CB-CB 4.16Å; C32-Y137 HydrophobicContact CB-CE1 4.34Å
33	V	91.1	Very high	87.1	Confident	13 Å²	13	55.9 Å²	55.9	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-46.6	177.6	173.5	0	0	0	0	111.6	L29 Y30 R127	L29-V33 WeakPolarHBondContact O-CG2 3.42Å; L29-V33 PolarHBondContact O-N 3.5Å; Y30-V33 PolarHBondContact O-N 3.41Å; V33-R127 PolarHBondContact O-NH2 3.36Å
34	F	89.5	Confident	87.1	Confident	115 Å²	115	48.9 Å²	48.9	50%	0.504	24%	0.239	S	C	.	.	H	α-helix	trans	-100	1.6	-176.7	-63.4	-75.5	0	0	0	113.9	Y30	Y30-F34 AromaticContact CD2-CD2 3.67Å; Y30-F34 HydrophobicContact CD2-CD2 3.67Å; Y30-F34 AromaticContact CD2-CE2 3.64Å; Y30-F34 HydrophobicContact CD2-CE2 3.64Å; Y30-F34 HydrophobicContact CE1-CD2 4.28Å; Y30-F34 AromaticContact CE2-CD2 3.39Å; Y30-F34 HydrophobicContact CE2-CD2 3.39Å; Y30-F34 AromaticContact CE2-CE2 3.31Å; Y30-F34 HydrophobicContact CE2-CE2 3.31Å; Y30-F34 HydrophobicContact CE2-CZ 4.4Å; Y30-F34 HydrophobicContact CG-CD2 4.23Å; Y30-F34 AromaticContact CZ-CD2 3.71Å; Y30-F34 WeakPolarHBondContact O-CD2 3.48Å; Y30-F34 PolarHBondContact O-N 2.93Å; Y30-F34 VanDerWaalsContact O-N 3.11Å
35	G	90.1	Very high	86.6	Confident	8 Å²	8	46.3 Å²	46.3	8%	0.082	23%	0.232	C	C	.	.	S	Bend	trans	-70.8	158	-177.7	0	0	0	0	0	113.2	R31 R131 Y137	R31-G35 WeakPolarHBondContact O-CA 3.47Å; R31-G35 PolarHBondContact O-N 2.94Å; G35-R131 PolarHBondContact O-NH1 3.01Å; G35-Y137 VanDerWaalsContact C-OH 3.24Å; G35-Y137 WeakPolarHBondContact CA-OH 3.3Å; G35-Y137 PolarHBondContact O-OH 2.75Å
36	P	93.8	Very high	85.6	Confident	2 Å²	2	51 Å²	51	1%	0.013	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-63	157.9	177.9	27.8	-36	0	0	0	111.8	R131 Y137 F140 L144 F164 D165 H168	P36-R131 PolarHBondContact O-NH1 2.87Å; P36-Y137 WeakPolarHBondContact O-CE2 3.49Å; P36-Y137 PolarHBondContact O-OH 3.37Å; P36-F140 HydrophobicContact CG-CE1 3.79Å; P36-F140 HydrophobicContact CG-CZ 3.51Å; P36-L144 HydrophobicContact CG-CD2 3.67Å; P36-F164 HydrophobicContact CB-CB 4.48Å; P36-F164 HydrophobicContact CB-CD2 4.08Å; P36-F164 HydrophobicContact CG-CD2 4.01Å; P36-D165 HydrophobicContact CB-CB 3.87Å; P36-H168 HydrophobicContact CB-CB 3.97Å; P36-H168 HydrophobicContact CG-CB 3.96Å
37	H	91.6	Very high	84.2	Confident	47 Å²	47	52.1 Å²	52.1	22%	0.218	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-74	123.4	168.5	178.8	70.8	0	0	0	110	D71 F164 D165	H37-D71 IonicContact ND1-OD2 3.96Å; H37-F164 WeakPolarHBondContact O-CA 3.33Å; H37-F164 VanDerWaalsContact O-CB 3.3Å; H37-F164 WeakPolarHBondContact O-CB 2.87Å; H37-D165 WeakPolarHBondContact CB-OD2 3.41Å; H37-D165 PolarHBondContact N-OD2 2.94Å; H37-D165 PolarHBondContact O-N 3.27Å; H37-D165 VanDerWaalsContact O-N 3.16Å
38	L	93.4	Very high	82.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.7	173.5	179	65.6	0	0	0	108.6	I41 Y61 Y137 F140 F162 D163 F164	L38-I41 HydrophobicContact CD2-CD1 4.27Å; L38-I41 HydrophobicContact CD2-CG1 4.3Å; L38-Y61 HydrophobicContact CB-CD1 4.32Å; L38-Y61 HydrophobicContact CB-CD2 4.49Å; L38-Y61 HydrophobicContact CB-CG 4.2Å; L38-Y61 HydrophobicContact CD2-CD2 3.57Å; L38-Y61 HydrophobicContact CD2-CE2 4.05Å; L38-Y61 HydrophobicContact CD2-CG 3.99Å; L38-Y61 HydrophobicContact CG-CD2 4.13Å; L38-Y61 HydrophobicContact CG-CG 4.02Å; L38-Y61 WeakPolarHBondContact O-CD1 3.3Å; L38-Y137 HydrophobicContact CB-CD2 4.04Å; L38-Y137 HydrophobicContact CB-CE2 4.17Å; L38-F140 HydrophobicContact CB-CD1 4.04Å; L38-F140 HydrophobicContact CB-CE1 4.15Å; L38-F140 HydrophobicContact CD1-CB 4.43Å; L38-F140 HydrophobicContact CD1-CD1 4.21Å; L38-F140 HydrophobicContact CD1-CD2 4Å; L38-F140 HydrophobicContact CD1-CE2 4.34Å; L38-F140 HydrophobicContact CD1-CG 3.92Å; L38-F140 HydrophobicContact CD2-CB 3.88Å; L38-F140 HydrophobicContact CD2-CD1 4.1Å; L38-F140 HydrophobicContact CD2-CG 4.02Å; L38-F140 HydrophobicContact CG-CD1 4.35Å; L38-F140 HydrophobicContact CG-CG 4.41Å; L38-F162 HydrophobicContact CD1-CB 3.88Å; L38-F162 HydrophobicContact CD1-CD1 3.96Å; L38-F162 HydrophobicContact CD1-CG 4.36Å; L38-D163 WeakPolarHBondContact CD1-O 3.17Å; L38-F164 HydrophobicContact CD1-CB 4.41Å
39	Q	92.4	Very high	81.3	Confident	28 Å²	28	58 Å²	58	13%	0.131	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-49.9	-172.9	-63.8	156.6	-47.2	0	0	110.8	Y61 D163 Q246	Q39-Y61 WeakPolarHBondContact O-CB 3.44Å; Q39-Y61 PolarHBondContact O-N 3.02Å; Q39-D163 PolarHBondContact N-O 3Å; Q39-D163 PolarHBondContact OE1-OD1 2.78Å; Q39-D163 PolarHBondContact OE1-OD2 2.93Å; Q39-Q246 VanDerWaalsContact CD-NE2 3.33Å
40	R	93.1	Very high	79.3	Confident	39 Å²	39	59.3 Å²	59.3	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148.9	-174.2	-172.1	169.7	176.7	81.7	-1.7	111.8	A58 N60 D163 E254	R40-A58 VanDerWaalsContact NH2-CB 3.28Å; R40-N60 PolarHBondContact NH1-OD1 3.04Å; R40-D163 HydrophobicContact CB-CB 4.06Å; R40-D163 PolarHBondContact N-O 3.26Å; R40-D163 PolarHBondContact O-N 3.13Å; R40-E254 IonicContact CZ-OE1 2.79Å; R40-E254 IonicContact CZ-OE2 3.46Å; R40-E254 IonicContact NE-OE1 3.01Å; R40-E254 PolarHBondContact NE-OE1 3.37Å; R40-E254 VanDerWaalsContact NH2-CD 3.25Å; R40-E254 IonicContact NH2-OE1 3.89Å; R40-E254 PolarHBondContact NH2-OE1 2.97Å; R40-E254 IonicContact NH2-OE2 3.75Å; R40-E254 PolarHBondContact NH2-OE2 3.07Å
41	I	92.9	Very high	77	Confident	13 Å²	13	63.3 Å²	63.3	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.5	172.1	-53.8	-179.8	0	0	0	107.2	L38 A58 W59 D136 C161 F162	L38-I41 HydrophobicContact CD2-CD1 4.27Å; L38-I41 HydrophobicContact CD2-CG1 4.3Å; I41-A58 WeakPolarHBondContact O-CA 3.4Å; I41-W59 HydrophobicContact CB-CD2 4.43Å; I41-W59 HydrophobicContact CB-CZ2 4.33Å; I41-W59 HydrophobicContact CD1-CZ2 4.13Å; I41-W59 HydrophobicContact CG2-CH2 4.23Å; I41-W59 HydrophobicContact CG2-CZ2 4.1Å; I41-W59 PolarHBondContact N-O 3.47Å; I41-W59 PolarHBondContact O-N 2.94Å; I41-W59 VanDerWaalsContact O-N 3.09Å; I41-D136 HydrophobicContact CD1-CB 3.85Å; I41-C161 CarbonylContact C-O 3.58Å; I41-C161 WeakPolarHBondContact CA-O 3.43Å; I41-F162 HydrophobicContact CD1-CE1 4.33Å; I41-F162 HydrophobicContact CG1-CD1 4.06Å; I41-F162 HydrophobicContact CG1-CE1 4.27Å; I41-F162 HydrophobicContact CG2-CD1 4.32Å; I41-F162 HydrophobicContact CG2-CE1 4.13Å
42	H	88.9	Confident	74.8	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.037	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-82.2	164.6	178.9	-57.8	-70.6	0	0	0	111.2	C161 I253 E254	H42-C161 PolarHBondContact N-O 3.34Å; H42-I253 HydrophobicContact CB-CG2 4.24Å; H42-E254 IonicContact CE1-OE1 2.68Å; H42-E254 IonicContact CG-OE1 2.82Å; H42-E254 IonicContact ND1-OE1 3.83Å; H42-E254 PolarHBondContact ND1-OE1 3.15Å
43	R	79.6	Confident	72.2	Confident	62 Å²	62	73 Å²	73	23%	0.234	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-66.7	146.9	173	-172.7	-163.6	174.6	128.8	24.8	110.2	Q47 P48	R43-Q47 PolarHBondContact NE-O 3.14Å; R43-Q47 PolarHBondContact NH2-O 3.49Å; R43-P48 VanDerWaalsContact CZ-O 3.26Å; R43-P48 PolarHBondContact NH1-O 3.33Å; R43-P48 PolarHBondContact NH2-O 3.05Å
44	S	70.1	Confident	69.6	Low	41 Å²	41	82.2 Å²	82.2	29%	0.287	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-65.1	132.1	167.1	-179.6	0	0	0	0	110.4	E46 Q47	S44-E46 PolarHBondContact O-N 3.11Å; S44-Q47 PolarHBondContact O-N 3.4Å
45	P	59.3	Low	67.6	Low	78 Å²	78	78.5 Å²	78.5	51%	0.506	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.9	179.3	-23.5	31.2	0	0	0	114.7
46	E	56.3	Low	65.8	Low	140 Å²	140	87.3 Å²	87.3	65%	0.654	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-12.3	-176	-68.1	175.6	177.1	0	0	114	S44 K157	S44-E46 PolarHBondContact O-N 3.11Å; E46-K157 IonicContact OE1-NZ 2.63Å; E46-K157 PolarHBondContact OE1-NZ 3.24Å
47	Q	55	Low	64.4	Low	85 Å²	85	96.6 Å²	96.6	40%	0.397	46%	0.458	S	S	.	.	S	Bend	trans	-85.5	127.6	179.7	-60.8	-179.9	-13.4	0	0	109.4	R43 S44	R43-Q47 PolarHBondContact NE-O 3.14Å; R43-Q47 PolarHBondContact NH2-O 3.49Å; S44-Q47 PolarHBondContact O-N 3.4Å
48	P	53.2	Low	64	Low	111 Å²	111	95.4 Å²	95.4	72%	0.721	46%	0.457	S	S	*	.			trans	-62.8	139	-177.5	21.9	-31.3	0	0	0	112.5	R43	R43-P48 VanDerWaalsContact CZ-O 3.26Å; R43-P48 PolarHBondContact NH1-O 3.33Å; R43-P48 PolarHBondContact NH2-O 3.05Å
49	R	56.5	Low	63.7	Low	178 Å²	178	99.5 Å²	99.5	67%	0.672	47%	0.472	S	S	*	.			trans	-42.7	130.9	178.5	-72	-176.8	-177.1	170.9	2	109.9	E51 D257	R49-E51 PolarHBondContact O-N 3.1Å; R49-D257 IonicContact NH2-OD2 3.4Å; R49-D257 PolarHBondContact NH2-OD2 3.38Å
50	P	48.5	Very low	63.6	Low	78 Å²	78	102.5 Å²	102.5	51%	0.506	49%	0.489	S	S	.	.			trans	-75.8	107.4	-163.1	18.1	-4.2	0	0	0	110.4	G52 A55	P50-G52 VanDerWaalsContact C-N 3.31Å; P50-G52 PolarHBondContact O-N 3.29Å; P50-A55 HydrophobicContact CB-CB 3.8Å; P50-A55 HydrophobicContact CG-CB 4.47Å
51	E	41.4	Very low	63.5	Low	207 Å²	207	101.2 Å²	101.2	97%	0.967	48%	0.484	S	S	*	.	S	Bend	trans	-78.8	85.4	149.4	-68.8	-172.5	178.5	0	0	107.7	R49	R49-E51 PolarHBondContact O-N 3.1Å
52	G	42.3	Very low	63.4	Low	52 Å²	52	107.1 Å²	107.1	54%	0.536	51%	0.512	S	S	.	.	S	Bend	trans	128.6	169.3	168.6	0	0	0	0	0	118	P50 F54	P50-G52 VanDerWaalsContact C-N 3.31Å; P50-G52 PolarHBondContact O-N 3.29Å; G52-F54 PolarHBondContact O-N 3.46Å
53	R	37.3	Very low	63.3	Low	229 Å²	229	108.7 Å²	108.7	86%	0.864	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	1.3	-164.1	-75.5	-176.9	-174.8	-176.7	2	117
54	F	36.8	Very low	63.8	Low	206 Å²	206	111.1 Å²	111.1	90%	0.904	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	5.1	-168	-74.2	-79.2	0	0	0	117.4	G52	G52-F54 PolarHBondContact O-N 3.46Å
55	A	46.6	Very low	64.6	Low	37 Å²	37	114.1 Å²	114.1	31%	0.306	55%	0.553	S	S	.	*	S	Bend	trans	-74.7	141.8	169.1	0	0	0	0	0	111	P50 R57	P50-A55 HydrophobicContact CB-CB 3.8Å; P50-A55 HydrophobicContact CG-CB 4.47Å; A55-R57 PolarHBondContact O-N 2.81Å
56	R	52.4	Low	66	Low	192 Å²	192	114.5 Å²	114.5	73%	0.725	55%	0.55	S	S	*	*			trans	-60.9	97.3	171.6	-86.2	-175.3	-178.8	174.5	0.2	109.1	W59	R56-W59 HydrophobicContact CB-CZ3 4.29Å
57	R	65.6	Low	67.6	Low	197 Å²	197	107.8 Å²	107.8	74%	0.743	52%	0.519	S	S	*	.			trans	-62	140.4	170.9	-68.6	179	175.2	-177.7	-5	108.9	A55	A55-R57 PolarHBondContact O-N 2.81Å
58	A	81.5	Confident	69.2	Low	23 Å²	23	109.8 Å²	109.8	19%	0.19	53%	0.526	C	S	.	.			trans	-53.7	144.7	172.6	0	0	0	0	0	111.5	R40 I41 E254	R40-A58 VanDerWaalsContact NH2-CB 3.28Å; I41-A58 WeakPolarHBondContact O-CA 3.4Å; A58-E254 HydrophobicContact CB-CG 4.5Å; A58-E254 VanDerWaalsContact CB-OE1 3.26Å; A58-E254 WeakPolarHBondContact CB-OE1 3.49Å
59	W	88.3	Confident	71	Confident	86 Å²	86	110.4 Å²	110.4	33%	0.326	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.8	-175.5	66.2	97.4	0	0	0	112.5	I41 R56	I41-W59 HydrophobicContact CB-CD2 4.43Å; I41-W59 HydrophobicContact CB-CZ2 4.33Å; I41-W59 HydrophobicContact CD1-CZ2 4.13Å; I41-W59 HydrophobicContact CG2-CH2 4.23Å; I41-W59 HydrophobicContact CG2-CZ2 4.1Å; I41-W59 PolarHBondContact N-O 3.47Å; I41-W59 PolarHBondContact O-N 2.94Å; I41-W59 VanDerWaalsContact O-N 3.09Å; R56-W59 HydrophobicContact CB-CZ3 4.29Å
60	N	89.8	Confident	72.6	Confident	91 Å²	91	102.2 Å²	102.2	49%	0.487	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.1	172.4	-65.9	-20.7	0	0	0	109.6	R40 Q62	R40-N60 PolarHBondContact NH1-OD1 3.04Å; N60-Q62 PolarHBondContact O-N 3.2Å; N60-Q62 PolarHBondContact O-NE2 3.1Å
61	Y	91	Very high	74.5	Confident	11 Å²	11	100.1 Å²	100.1	4%	0.043	47%	0.473	C	S	.	.			trans	-56.6	129.7	176.8	174.3	-110.9	0	0	0	110.3	L38 Q39 P63 E67 N134 D136 Y137	L38-Y61 HydrophobicContact CB-CD1 4.32Å; L38-Y61 HydrophobicContact CB-CD2 4.49Å; L38-Y61 HydrophobicContact CB-CG 4.2Å; L38-Y61 HydrophobicContact CD2-CD2 3.57Å; L38-Y61 HydrophobicContact CD2-CE2 4.05Å; L38-Y61 HydrophobicContact CD2-CG 3.99Å; L38-Y61 HydrophobicContact CG-CD2 4.13Å; L38-Y61 HydrophobicContact CG-CG 4.02Å; L38-Y61 WeakPolarHBondContact O-CD1 3.3Å; Q39-Y61 WeakPolarHBondContact O-CB 3.44Å; Q39-Y61 PolarHBondContact O-N 3.02Å; Y61-P63 HydrophobicContact CE1-CB 4.03Å; Y61-P63 VanDerWaalsContact O-CD 3.22Å; Y61-P63 WeakPolarHBondContact O-CD 3.45Å; Y61-E67 PolarHBondContact OH-OE2 3.15Å; Y61-N134 VanDerWaalsContact CE2-ND2 3.25Å; Y61-N134 WeakPolarHBondContact CE2-ND2 3.47Å; Y61-N134 PolarHBondContact OH-ND2 3.03Å; Y61-D136 HydrophobicContact CD2-CB 4.46Å; Y61-D136 HydrophobicContact CE2-CB 4.37Å; Y61-Y137 HydrophobicContact CE1-CD2 4.5Å; Y61-Y137 HydrophobicContact CE2-CD2 4.42Å
62	Q	90.1	Very high	76.8	Confident	137 Å²	137	94.7 Å²	94.7	64%	0.64	45%	0.451	S	S	*	.			trans	-103.1	99	-180	-65.6	-57.6	-50.8	0	0	109.6	N60 N134	N60-Q62 PolarHBondContact O-N 3.2Å; N60-Q62 PolarHBondContact O-NE2 3.1Å; Q62-N134 PolarHBondContact O-ND2 2.88Å
63	P	87.9	Confident	79.1	Confident	42 Å²	42	95.2 Å²	95.2	27%	0.273	44%	0.441	S	S	.	.			trans	-66.9	143.5	175	28	-34	0	0	0	110.2	Y61 E67 K68	Y61-P63 HydrophobicContact CE1-CB 4.03Å; Y61-P63 VanDerWaalsContact O-CD 3.22Å; Y61-P63 WeakPolarHBondContact O-CD 3.45Å; P63-E67 HydrophobicContact CB-CB 3.96Å; P63-E67 HydrophobicContact CB-CG 3.7Å; P63-K68 HydrophobicContact CG-CB 4.36Å
64	R	89.5	Confident	81.5	Confident	113 Å²	113	86.4 Å²	86.4	43%	0.426	41%	0.411	S	S	.	.			trans	-69.4	162.3	172.3	-70	-173.1	171.4	178.7	3.4	110.7	L66 E67 K68 R133	R64-L66 PolarHBondContact O-N 2.89Å; R64-L66 VanDerWaalsContact O-N 3.07Å; R64-E67 PolarHBondContact O-N 3.08Å; R64-K68 PolarHBondContact O-N 2.9Å; R64-R133 PolarHBondContact NH1-O 3.21Å; R64-R133 PolarHBondContact NH2-O 3.01Å; R64-R133 VanDerWaalsContact NH2-O 3.1Å
65	S	88	Confident	83.9	Confident	103 Å²	103	78.4 Å²	78.4	72%	0.72	39%	0.386	S	S	*	.	H	α-helix	trans	-51.2	-38.7	-176.9	-168.6	0	0	0	0	114.1	H69	S65-H69 PolarHBondContact O-N 3.2Å; S65-H69 VanDerWaalsContact O-N 3.09Å
66	L	88	Confident	85.9	Confident	86 Å²	86	85.4 Å²	85.4	45%	0.45	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-51.3	176.7	-70.9	174.9	0	0	0	111.7	R64 K68 H69 T70	R64-L66 PolarHBondContact O-N 2.89Å; R64-L66 VanDerWaalsContact O-N 3.07Å; L66-K68 PolarHBondContact O-N 2.85Å; L66-H69 PolarHBondContact O-N 3.23Å; L66-T70 WeakPolarHBondContact O-CG2 3.41Å; L66-T70 PolarHBondContact O-N 3Å; L66-T70 PolarHBondContact O-OG1 3.12Å
67	E	89.6	Confident	87.6	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-59.9	-46.5	177.9	177.4	173	-162.1	0	0	110.8	Y61 P63 R64 H69 T70 D71 R127 R131	Y61-E67 PolarHBondContact OH-OE2 3.15Å; P63-E67 HydrophobicContact CB-CB 3.96Å; P63-E67 HydrophobicContact CB-CG 3.7Å; R64-E67 PolarHBondContact O-N 3.08Å; E67-H69 VanDerWaalsContact C-N 3.35Å; E67-H69 PolarHBondContact O-N 3.13Å; E67-T70 WeakPolarHBondContact CA-OG1 3.49Å; E67-T70 PolarHBondContact O-N 2.88Å; E67-T70 PolarHBondContact O-OG1 3.44Å; E67-D71 WeakPolarHBondContact O-CB 3.33Å; E67-D71 PolarHBondContact O-N 3.48Å; E67-R127 HydrophobicContact CG-CG 4.18Å; E67-R131 VanDerWaalsContact CD-CG 3.5Å; E67-R131 HydrophobicContact CG-CG 4.39Å; E67-R131 WeakPolarHBondContact OE1-CG 3.38Å; E67-R131 IonicContact OE1-CZ 3.08Å; E67-R131 IonicContact OE1-NE 3.2Å; E67-R131 PolarHBondContact OE1-NE 2.92Å; E67-R131 IonicContact OE1-NH2 2.64Å
68	K	89.3	Confident	88.7	Confident	126 Å²	126	71 Å²	71	55%	0.548	37%	0.366	S	S	.	.	H	α-helix	trans	-56.7	-45.3	178.8	-174.6	177.6	-179.3	177.4	0	112.5	P63 R64 L66 N72	P63-K68 HydrophobicContact CG-CB 4.36Å; R64-K68 PolarHBondContact O-N 2.9Å; L66-K68 PolarHBondContact O-N 2.85Å; K68-N72 VanDerWaalsContact O-CG 3.27Å; K68-N72 PolarHBondContact O-N 3.09Å; K68-N72 VanDerWaalsContact O-N 3.12Å
69	H	89.9	Confident	88.9	Confident	124 Å²	124	71.5 Å²	71.5	57%	0.574	37%	0.37	S	S	*	.	H	α-helix	trans	-67.3	-43.6	179.1	-170.4	80.1	0	0	0	111.6	S65 L66 E67 N72 I73	S65-H69 PolarHBondContact O-N 3.2Å; S65-H69 VanDerWaalsContact O-N 3.09Å; L66-H69 PolarHBondContact O-N 3.23Å; E67-H69 VanDerWaalsContact C-N 3.35Å; E67-H69 PolarHBondContact O-N 3.13Å; H69-N72 PolarHBondContact O-N 3.41Å; H69-I73 WeakPolarHBondContact O-CG1 3.44Å; H69-I73 PolarHBondContact O-N 3.29Å
70	T	90.9	Very high	88.8	Confident	6 Å²	6	72.2 Å²	72.2	4%	0.037	38%	0.379	C	S	.	.	H	α-helix	trans	-66.4	-38	177.7	52.6	0	0	0	0	112.9	L66 E67 N72 I73 L74 V123 I126 R127	L66-T70 WeakPolarHBondContact O-CG2 3.41Å; L66-T70 PolarHBondContact O-N 3Å; L66-T70 PolarHBondContact O-OG1 3.12Å; E67-T70 WeakPolarHBondContact CA-OG1 3.49Å; E67-T70 PolarHBondContact O-N 2.88Å; E67-T70 PolarHBondContact O-OG1 3.44Å; T70-N72 VanDerWaalsContact C-N 3.33Å; T70-N72 PolarHBondContact O-N 2.99Å; T70-I73 PolarHBondContact O-N 3.48Å; T70-L74 WeakPolarHBondContact O-CG 3.38Å; T70-L74 PolarHBondContact O-N 3.47Å; T70-V123 HydrophobicContact CG2-CG1 3.91Å; T70-I126 HydrophobicContact CG2-CB 3.97Å; T70-I126 HydrophobicContact CG2-CG2 3.69Å; T70-R127 HydrophobicContact CG2-CB 4.45Å; T70-R127 WeakPolarHBondContact OG1-CA 3.43Å; T70-R127 VanDerWaalsContact OG1-CB 3.27Å; T70-R127 WeakPolarHBondContact OG1-CB 3.49Å
71	D	88.4	Confident	88.7	Confident	34 Å²	34	77 Å²	77	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-36.7	176.8	-82.3	-15.7	0	0	0	111.3	H37 E67 L74 G75 R127	H37-D71 IonicContact ND1-OD2 3.96Å; E67-D71 WeakPolarHBondContact O-CB 3.33Å; E67-D71 PolarHBondContact O-N 3.48Å; D71-L74 PolarHBondContact O-N 3.07Å; D71-G75 PolarHBondContact O-N 3.09Å; D71-R127 WeakPolarHBondContact OD1-CD 3.36Å
72	N	89.3	Confident	88.3	Confident	93 Å²	93	77.4 Å²	77.4	50%	0.497	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-44.4	173.1	-73.5	-14.6	0	0	0	111.9	K68 H69 T70 G75 W76	K68-N72 VanDerWaalsContact O-CG 3.27Å; K68-N72 PolarHBondContact O-N 3.09Å; K68-N72 VanDerWaalsContact O-N 3.12Å; H69-N72 PolarHBondContact O-N 3.41Å; T70-N72 VanDerWaalsContact C-N 3.33Å; T70-N72 PolarHBondContact O-N 2.99Å; N72-G75 PolarHBondContact O-N 3.01Å; N72-W76 PolarHBondContact O-N 2.89Å
73	I	90.8	Very high	88.1	Confident	64 Å²	64	76 Å²	76	33%	0.328	39%	0.391	S	S	.	.	H	α-helix	trans	-63.1	-47.9	178.2	-64.5	168.3	0	0	0	110.6	H69 T70 G75 W76 A77 V123	H69-I73 WeakPolarHBondContact O-CG1 3.44Å; H69-I73 PolarHBondContact O-N 3.29Å; T70-I73 PolarHBondContact O-N 3.48Å; I73-G75 VanDerWaalsContact C-N 3.28Å; I73-G75 PolarHBondContact O-N 2.88Å; I73-W76 PolarHBondContact O-N 3.43Å; I73-A77 PolarHBondContact O-N 2.84Å; I73-V123 HydrophobicContact CB-CG1 4.26Å; I73-V123 HydrophobicContact CD1-CG2 4.45Å; I73-V123 HydrophobicContact CG2-CG1 4.27Å; I73-V123 HydrophobicContact CG2-CG2 4.3Å
74	L	88.7	Confident	88	Confident	43 Å²	43	76.6 Å²	76.6	23%	0.225	40%	0.396	C	S	.	.	H	α-helix	trans	-64.1	-35.2	177.7	-66.7	172.3	0	0	0	111.8	T70 D71 A77 S78 L120 V123	T70-L74 WeakPolarHBondContact O-CG 3.38Å; T70-L74 PolarHBondContact O-N 3.47Å; D71-L74 PolarHBondContact O-N 3.07Å; L74-A77 PolarHBondContact O-N 3.3Å; L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.74Å; L74-L120 HydrophobicContact CD2-CD2 4.14Å; L74-V123 HydrophobicContact CD1-CG1 4.3Å; L74-V123 HydrophobicContact CD2-CG1 4.09Å; L74-V123 HydrophobicContact CG-CG1 3.86Å
75	G	86.6	Confident	87.7	Confident	38 Å²	38	77 Å²	77	39%	0.392	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-47.1	173.6	0	0	0	0	0	112.2	D71 N72 I73 S78 A79	D71-G75 PolarHBondContact O-N 3.09Å; N72-G75 PolarHBondContact O-N 3.01Å; I73-G75 VanDerWaalsContact C-N 3.28Å; I73-G75 PolarHBondContact O-N 2.88Å; G75-S78 WeakPolarHBondContact O-CB 3.46Å; G75-S78 PolarHBondContact O-N 2.88Å; G75-A79 WeakPolarHBondContact O-CB 3.18Å; G75-A79 PolarHBondContact O-N 2.93Å
76	W	88.1	Confident	87.4	Confident	185 Å²	185	76.3 Å²	76.3	70%	0.701	38%	0.38	S	S	*	.	H	α-helix	trans	-61.9	-43.9	174.4	-82.2	112.5	0	0	0	112.4	N72 I73 S78 A79 I80	N72-W76 PolarHBondContact O-N 2.89Å; I73-W76 PolarHBondContact O-N 3.43Å; W76-S78 VanDerWaalsContact C-N 3.31Å; W76-S78 PolarHBondContact O-N 3.31Å; W76-A79 PolarHBondContact O-N 3.28Å; W76-I80 WeakPolarHBondContact O-CG1 3.44Å; W76-I80 PolarHBondContact O-N 3.46Å
77	A	89.3	Confident	87.2	Confident	31 Å²	31	73.8 Å²	73.8	26%	0.256	37%	0.37	S	S	.	.	H	α-helix	trans	-59.9	-42.8	175.5	0	0	0	0	0	111.6	I73 L74 I80 W81 L120	I73-A77 PolarHBondContact O-N 2.84Å; L74-A77 PolarHBondContact O-N 3.3Å; A77-I80 PolarHBondContact O-N 3.1Å; A77-W81 WeakPolarHBondContact O-CB 3.45Å; A77-W81 PolarHBondContact O-N 3.17Å; A77-L120 HydrophobicContact CB-CD1 4.26Å; A77-L120 HydrophobicContact CB-CD2 3.85Å
78	S	86.8	Confident	86.9	Confident	55 Å²	55	76.4 Å²	76.4	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-64.3	-39.4	175.3	-176.4	0	0	0	0	112.6	L74 G75 W76 S82 K239	L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.74Å; G75-S78 WeakPolarHBondContact O-CB 3.46Å; G75-S78 PolarHBondContact O-N 2.88Å; W76-S78 VanDerWaalsContact C-N 3.31Å; W76-S78 PolarHBondContact O-N 3.31Å; S78-S82 PolarHBondContact O-N 3.38Å; S78-S82 PolarHBondContact O-OG 3.04Å; S78-S82 VanDerWaalsContact O-OG 3.12Å; S78-K239 PolarHBondContact O-NZ 3.13Å; S78-K239 PolarHBondContact OG-NZ 2.74Å
79	A	86.1	Confident	86.5	Confident	34 Å²	34	74.2 Å²	74.2	28%	0.281	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-48.3	177.1	0	0	0	0	0	111.3	G75 W76 W81 S82 I83	G75-A79 WeakPolarHBondContact O-CB 3.18Å; G75-A79 PolarHBondContact O-N 2.93Å; W76-A79 PolarHBondContact O-N 3.28Å; A79-W81 VanDerWaalsContact C-N 3.33Å; A79-W81 PolarHBondContact O-N 2.8Å; A79-S82 PolarHBondContact O-N 3.38Å; A79-I83 WeakPolarHBondContact O-CG1 3.45Å; A79-I83 PolarHBondContact O-N 2.83Å
80	I	87.3	Confident	86.2	Confident	100 Å²	100	74.8 Å²	74.8	51%	0.513	39%	0.393	S	S	.	.	H	α-helix	trans	-58.8	-46.9	176	-67	166.2	0	0	0	110	W76 A77 S82 I83 S84	W76-I80 WeakPolarHBondContact O-CG1 3.44Å; W76-I80 PolarHBondContact O-N 3.46Å; A77-I80 PolarHBondContact O-N 3.1Å; I80-S82 PolarHBondContact O-N 3.03Å; I80-I83 PolarHBondContact O-N 2.87Å; I80-S84 WeakPolarHBondContact O-CB 3.07Å; I80-S84 PolarHBondContact O-N 3.01Å; I80-S84 PolarHBondContact O-OG 3.15Å
81	W	86.9	Confident	85.8	Confident	192 Å²	192	78.1 Å²	78.1	73%	0.727	41%	0.411	S	S	*	.	H	α-helix	trans	-57	-46.6	176.9	-178.5	-95.2	0	0	0	112.6	A77 A79 S84 Y85	A77-W81 WeakPolarHBondContact O-CB 3.45Å; A77-W81 PolarHBondContact O-N 3.17Å; A79-W81 VanDerWaalsContact C-N 3.33Å; A79-W81 PolarHBondContact O-N 2.8Å; W81-S84 PolarHBondContact O-N 2.88Å; W81-Y85 WeakPolarHBondContact O-CB 3.49Å; W81-Y85 PolarHBondContact O-N 3.35Å
82	S	83.7	Confident	85.5	Confident	20 Å²	20	81.6 Å²	81.6	14%	0.14	43%	0.428	C	S	.	.	H	α-helix	trans	-61.9	-46.4	177	-65.4	0	0	0	0	112	S78 A79 I80 Y85 Y86 K239	S78-S82 PolarHBondContact O-N 3.38Å; S78-S82 PolarHBondContact O-OG 3.04Å; S78-S82 VanDerWaalsContact O-OG 3.12Å; A79-S82 PolarHBondContact O-N 3.38Å; I80-S82 PolarHBondContact O-N 3.03Å; S82-Y85 PolarHBondContact O-N 3.4Å; S82-Y86 WeakPolarHBondContact O-CD2 3.29Å; S82-Y86 PolarHBondContact O-N 2.87Å; S82-Y86 VanDerWaalsContact O-N 3.12Å; S82-K239 PolarHBondContact OG-NZ 3.24Å
83	I	85.7	Confident	85.2	Confident	107 Å²	107	81.3 Å²	81.3	55%	0.549	43%	0.433	S	S	.	.	H	α-helix	trans	-61.8	-46.6	178.1	-65.7	168.1	0	0	0	110.3	A79 I80 Y85 Y86 S87	A79-I83 WeakPolarHBondContact O-CG1 3.45Å; A79-I83 PolarHBondContact O-N 2.83Å; I80-I83 PolarHBondContact O-N 2.87Å; I83-Y85 VanDerWaalsContact C-N 3.32Å; I83-Y85 PolarHBondContact O-N 3.36Å; I83-Y86 PolarHBondContact O-N 3.09Å; I83-S87 WeakPolarHBondContact O-CB 3.2Å; I83-S87 PolarHBondContact O-N 2.96Å; I83-S87 PolarHBondContact O-OG 3.1Å
84	S	84.5	Confident	84.9	Confident	54 Å²	54	84.5 Å²	84.5	38%	0.378	44%	0.442	S	S	.	.	H	α-helix	trans	-59.9	-40.4	176.6	-63.9	0	0	0	0	112.1	I80 W81 S87 S88	I80-S84 WeakPolarHBondContact O-CB 3.07Å; I80-S84 PolarHBondContact O-N 3.01Å; I80-S84 PolarHBondContact O-OG 3.15Å; W81-S84 PolarHBondContact O-N 2.88Å; S84-S87 WeakPolarHBondContact CA-OG 3.21Å; S84-S87 PolarHBondContact O-N 2.74Å; S84-S87 PolarHBondContact O-OG 2.76Å; S84-S88 VanDerWaalsContact O-CA 3.3Å; S84-S88 WeakPolarHBondContact O-CA 3.4Å; S84-S88 VanDerWaalsContact O-CB 3.22Å; S84-S88 WeakPolarHBondContact O-CB 3.3Å; S84-S88 PolarHBondContact O-N 2.9Å
85	Y	84.9	Confident	84.6	Confident	122 Å²	122	85.5 Å²	85.5	48%	0.478	45%	0.447	S	S	.	.	H	α-helix	trans	-60	-50.2	176.1	176	-96.4	0	0	0	111.7	W81 S82 I83 S88 R227	W81-Y85 WeakPolarHBondContact O-CB 3.49Å; W81-Y85 PolarHBondContact O-N 3.35Å; S82-Y85 PolarHBondContact O-N 3.4Å; I83-Y85 VanDerWaalsContact C-N 3.32Å; I83-Y85 PolarHBondContact O-N 3.36Å; Y85-S88 WeakPolarHBondContact O-CB 3.42Å; Y85-S88 PolarHBondContact O-N 3.44Å; Y85-S88 PolarHBondContact O-OG 2.79Å; Y85-R227 PolarHBondContact OH-NH2 3.2Å
86	Y	81.1	Confident	84.4	Confident	89 Å²	89	92.2 Å²	92.2	35%	0.349	46%	0.462	S	S	.	.	H	α-helix	trans	-72.3	-30.2	-178.7	-68.3	-66	0	0	0	113.3	S82 I83 V234 G235 L236	S82-Y86 WeakPolarHBondContact O-CD2 3.29Å; S82-Y86 PolarHBondContact O-N 2.87Å; S82-Y86 VanDerWaalsContact O-N 3.12Å; I83-Y86 PolarHBondContact O-N 3.09Å; Y86-V234 HydrophobicContact CE1-CG1 4.28Å; Y86-G235 PolarHBondContact OH-N 3.38Å; Y86-L236 HydrophobicContact CE2-CB 4.32Å
87	S	82.9	Confident	84.3	Confident	33 Å²	33	93.9 Å²	93.9	23%	0.231	47%	0.468	C	S	.	.	H	α-helix	trans	-87.6	-5.4	175.7	58.2	0	0	0	0	113.7	I83 S84 P89 L90 L91	I83-S87 WeakPolarHBondContact O-CB 3.2Å; I83-S87 PolarHBondContact O-N 2.96Å; I83-S87 PolarHBondContact O-OG 3.1Å; S84-S87 WeakPolarHBondContact CA-OG 3.21Å; S84-S87 PolarHBondContact O-N 2.74Å; S84-S87 PolarHBondContact O-OG 2.76Å; S87-P89 VanDerWaalsContact C-CD 3.4Å; S87-L90 PolarHBondContact O-N 2.91Å; S87-L91 PolarHBondContact O-N 3.22Å; S87-L91 WeakPolarHBondContact OG-CD1 3.27Å
88	S	83.8	Confident	84	Confident	54 Å²	54	98.2 Å²	98.2	38%	0.378	48%	0.481	S	S	.	.	H	α-helix	trans	-55.4	-37.6	-173.2	63.1	0	0	0	0	115	S84 Y85 L90 L91 L92	S84-S88 VanDerWaalsContact O-CA 3.3Å; S84-S88 WeakPolarHBondContact O-CA 3.4Å; S84-S88 VanDerWaalsContact O-CB 3.22Å; S84-S88 WeakPolarHBondContact O-CB 3.3Å; S84-S88 PolarHBondContact O-N 2.9Å; Y85-S88 WeakPolarHBondContact O-CB 3.42Å; Y85-S88 PolarHBondContact O-N 3.44Å; Y85-S88 PolarHBondContact O-OG 2.79Å; S88-L90 VanDerWaalsContact C-N 3.34Å; S88-L90 PolarHBondContact O-N 3.12Å; S88-L91 PolarHBondContact O-N 2.97Å; S88-L92 WeakPolarHBondContact O-CB 3.19Å; S88-L92 PolarHBondContact O-N 3.11Å
89	P	81.4	Confident	83.5	Confident	80 Å²	80	97.3 Å²	97.3	52%	0.519	48%	0.48	S	S	.	.	H	α-helix	trans	-65.1	-40	177.5	-20.8	35.1	0	0	0	112	S87 C93	S87-P89 VanDerWaalsContact C-CD 3.4Å; P89-C93 PolarHBondContact O-N 2.8Å; P89-C93 VanDerWaalsContact O-N 3.11Å; P89-C93 PolarHBondContact O-SG 2.83Å
90	L	83.4	Confident	82.9	Confident	136 Å²	136	100.8 Å²	100.8	71%	0.712	49%	0.487	S	S	*	.	H	α-helix	trans	-70.7	-43.2	178.1	-61.9	174.9	0	0	0	111.1	S87 S88 C93 Y94	S87-L90 PolarHBondContact O-N 2.91Å; S88-L90 VanDerWaalsContact C-N 3.34Å; S88-L90 PolarHBondContact O-N 3.12Å; L90-C93 PolarHBondContact O-N 2.86Å; L90-Y94 WeakPolarHBondContact O-CB 3.48Å; L90-Y94 PolarHBondContact O-N 3.45Å
91	L	81.3	Confident	82.2	Confident	77 Å²	77	100.2 Å²	100.2	40%	0.403	48%	0.484	S	S	.	.	H	α-helix	trans	-60.4	-43.9	174.9	-102	137.6	0	0	0	111.7	S87 S88 Y94 L95	S87-L91 PolarHBondContact O-N 3.22Å; S87-L91 WeakPolarHBondContact OG-CD1 3.27Å; S88-L91 PolarHBondContact O-N 2.97Å; L91-Y94 WeakPolarHBondContact O-CB 3.47Å; L91-Y94 PolarHBondContact O-N 2.92Å; L91-L95 WeakPolarHBondContact O-CB 3.19Å; L91-L95 WeakPolarHBondContact O-CG 3.32Å; L91-L95 PolarHBondContact O-N 3.14Å
92	L	82.5	Confident	81.5	Confident	106 Å²	106	94 Å²	94	56%	0.555	47%	0.47	S	S	*	.	H	α-helix	trans	-64.6	-44.7	179.2	-171.5	68.6	0	0	0	111.2	S88 Y94 L95 Y96 I101	S88-L92 WeakPolarHBondContact O-CB 3.19Å; S88-L92 PolarHBondContact O-N 3.11Å; L92-Y94 VanDerWaalsContact C-N 3.31Å; L92-Y94 PolarHBondContact O-N 3.27Å; L92-L95 PolarHBondContact O-N 3.39Å; L92-Y96 VanDerWaalsContact O-CB 3.29Å; L92-Y96 WeakPolarHBondContact O-CB 3.48Å; L92-Y96 PolarHBondContact O-N 3.34Å; L92-I101 HydrophobicContact CD1-CD1 4.14Å
93	C	82.8	Confident	80.6	Confident	88 Å²	88	98 Å²	98	60%	0.595	50%	0.497	S	S	*	.	H	α-helix	trans	-59.2	-41.9	173.9	-73.5	0	0	0	0	112	P89 L90 R97	P89-C93 PolarHBondContact O-N 2.8Å; P89-C93 VanDerWaalsContact O-N 3.11Å; P89-C93 PolarHBondContact O-SG 2.83Å; L90-C93 PolarHBondContact O-N 2.86Å; C93-R97 VanDerWaalsContact O-CB 3.3Å; C93-R97 WeakPolarHBondContact O-CB 3.44Å; C93-R97 PolarHBondContact O-N 3.26Å
94	Y	84.6	Confident	80	Confident	130 Å²	130	97.5 Å²	97.5	51%	0.51	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-48.8	176.1	176.9	-91.7	0	0	0	112.1	L90 L91 L92 Y96 R97 K98	L90-Y94 WeakPolarHBondContact O-CB 3.48Å; L90-Y94 PolarHBondContact O-N 3.45Å; L91-Y94 WeakPolarHBondContact O-CB 3.47Å; L91-Y94 PolarHBondContact O-N 2.92Å; L92-Y94 VanDerWaalsContact C-N 3.31Å; L92-Y94 PolarHBondContact O-N 3.27Å; Y94-Y96 VanDerWaalsContact C-N 3.34Å; Y94-Y96 PolarHBondContact O-N 3.38Å; Y94-R97 PolarHBondContact O-N 2.97Å; Y94-K98 HydrophobicContact CE1-CG 4.14Å; Y94-K98 HydrophobicContact CE2-CG 4.23Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 WeakPolarHBondContact O-CG 3.32Å; Y94-K98 PolarHBondContact O-N 3.42Å
95	L	83.2	Confident	79.3	Confident	65 Å²	65	99.9 Å²	99.9	34%	0.34	51%	0.507	S	S	.	.	H	α-helix	trans	-64.2	-38.9	-179.7	-70.6	172.6	0	0	0	111.9	L91 L92 G99 Y100	L91-L95 WeakPolarHBondContact O-CB 3.19Å; L91-L95 WeakPolarHBondContact O-CG 3.32Å; L91-L95 PolarHBondContact O-N 3.14Å; L92-L95 PolarHBondContact O-N 3.39Å; L95-G99 PolarHBondContact O-N 3.44Å; L95-Y100 HydrophobicContact CD2-CD2 3.82Å; L95-Y100 HydrophobicContact CD2-CG 4.09Å; L95-Y100 PolarHBondContact O-N 2.99Å
96	Y	82.1	Confident	78.7	Confident	178 Å²	178	98.3 Å²	98.3	70%	0.698	51%	0.506	S	S	*	.	H	α-helix	trans	-62.5	-52.2	172.7	178.4	-103.6	0	0	0	111.1	L92 Y94 K98 G99 I101	L92-Y96 VanDerWaalsContact O-CB 3.29Å; L92-Y96 WeakPolarHBondContact O-CB 3.48Å; L92-Y96 PolarHBondContact O-N 3.34Å; Y94-Y96 VanDerWaalsContact C-N 3.34Å; Y94-Y96 PolarHBondContact O-N 3.38Å; Y96-K98 PolarHBondContact O-N 3.1Å; Y96-G99 PolarHBondContact O-N 3.03Å; Y96-I101 HydrophobicContact CD2-CD1 4.17Å
97	R	85.9	Confident	78.5	Confident	220 Å²	220	98 Å²	98	83%	0.83	51%	0.513	S	S	*	.	H	α-helix	trans	-58.4	-32.7	179.5	-176.3	177.4	177.3	-179.1	0.5	112.9	C93 Y94	C93-R97 VanDerWaalsContact O-CB 3.3Å; C93-R97 WeakPolarHBondContact O-CB 3.44Å; C93-R97 PolarHBondContact O-N 3.26Å; Y94-R97 PolarHBondContact O-N 2.97Å
98	K	82.6	Confident	78.4	Confident	122 Å²	122	99 Å²	99	53%	0.53	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.5	178.9	-71.7	-72.5	-173.7	177.1	0	114	Y94 Y96 Y100	Y94-K98 HydrophobicContact CE1-CG 4.14Å; Y94-K98 HydrophobicContact CE2-CG 4.23Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 WeakPolarHBondContact O-CG 3.32Å; Y94-K98 PolarHBondContact O-N 3.42Å; Y96-K98 PolarHBondContact O-N 3.1Å; K98-Y100 VanDerWaalsContact C-N 3.31Å; K98-Y100 HydrophobicContact CB-CD2 3.4Å; K98-Y100 HydrophobicContact CB-CE2 3.38Å; K98-Y100 HydrophobicContact CG-CD2 4.46Å; K98-Y100 HydrophobicContact CG-CE2 4.1Å; K98-Y100 PolarHBondContact O-N 3.5Å
99	G	77.9	Confident	78.2	Confident	36 Å²	36	100 Å²	100	37%	0.371	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	29.9	177.4	0	0	0	0	0	113.8	L95 Y96 I101	L95-G99 PolarHBondContact O-N 3.44Å; Y96-G99 PolarHBondContact O-N 3.03Å; G99-I101 VanDerWaalsContact C-N 3.28Å
100	Y	71.7	Confident	78.2	Confident	108 Å²	108	99.5 Å²	99.5	42%	0.424	52%	0.521	S	S	.	.			trans	-79.9	-10.3	175.9	-72.5	-70.4	0	0	0	113	L95 K98 C102 K105	L95-Y100 HydrophobicContact CD2-CD2 3.82Å; L95-Y100 HydrophobicContact CD2-CG 4.09Å; L95-Y100 PolarHBondContact O-N 2.99Å; K98-Y100 VanDerWaalsContact C-N 3.31Å; K98-Y100 HydrophobicContact CB-CD2 3.4Å; K98-Y100 HydrophobicContact CB-CE2 3.38Å; K98-Y100 HydrophobicContact CG-CD2 4.46Å; K98-Y100 HydrophobicContact CG-CE2 4.1Å; K98-Y100 PolarHBondContact O-N 3.5Å; Y100-C102 PolarHBondContact O-N 3.12Å; Y100-C102 VanDerWaalsContact O-N 3.1Å; Y100-K105 HydrophobicContact CD1-CD 4.04Å
101	I	73.4	Confident	78.4	Confident	88 Å²	88	99 Å²	99	45%	0.451	52%	0.515	S	S	.	.			trans	-86.8	59.2	176.4	-44.6	-176.9	0	0	0	109.9	L92 Y96 G99	L92-I101 HydrophobicContact CD1-CD1 4.14Å; Y96-I101 HydrophobicContact CD2-CD1 4.17Å; G99-I101 VanDerWaalsContact C-N 3.28Å
102	C	72.6	Confident	78.7	Confident	62 Å²	62	103.4 Å²	103.4	42%	0.419	53%	0.528	S	S	.	.	S	Bend	trans	-125.3	139.8	174.7	-73.3	0	0	0	0	109.7	Y100 S104 K105 L106	Y100-C102 PolarHBondContact O-N 3.12Å; Y100-C102 VanDerWaalsContact O-N 3.1Å; C102-S104 PolarHBondContact O-N 3.31Å; C102-S104 VanDerWaalsContact O-N 3.07Å; C102-K105 PolarHBondContact O-N 3.26Å; C102-L106 PolarHBondContact O-N 3.07Å
103	S	64.8	Low	78.9	Confident	102 Å²	102	103.4 Å²	103.4	71%	0.713	53%	0.528	S	S	*	.	H	α-helix	trans	-54	-33.8	-174	-52.7	0	0	0	0	114	K105 L106	S103-K105 VanDerWaalsContact C-N 3.31Å; S103-K105 PolarHBondContact O-N 3.04Å; S103-L106 PolarHBondContact O-N 2.94Å
104	S	72	Confident	79.2	Confident	98 Å²	98	100.7 Å²	100.7	69%	0.685	52%	0.515	S	S	*	.	H	α-helix	trans	-67	-26.4	178.6	56.4	0	0	0	0	114.3	C102	C102-S104 PolarHBondContact O-N 3.31Å; C102-S104 VanDerWaalsContact O-N 3.07Å
105	K	69.7	Low	79.5	Confident	104 Å²	104	98.7 Å²	98.7	45%	0.452	52%	0.516	S	S	.	.	H	α-helix	trans	-99.5	-15	179.7	-63.3	-171.9	-178.6	176.2	0	113.3	Y100 C102 S103 V109	Y100-K105 HydrophobicContact CD1-CD 4.04Å; C102-K105 PolarHBondContact O-N 3.26Å; S103-K105 VanDerWaalsContact C-N 3.31Å; S103-K105 PolarHBondContact O-N 3.04Å; K105-V109 WeakPolarHBondContact O-CG2 3.38Å
106	L	73.8	Confident	79.9	Confident	88 Å²	88	99.4 Å²	99.4	46%	0.461	52%	0.523	S	S	.	.	H	α-helix	trans	-75.8	-30.9	177.4	-74.8	167.9	0	0	0	112.9	C102 S103 V109 S110	C102-L106 PolarHBondContact O-N 3.07Å; S103-L106 PolarHBondContact O-N 2.94Å; L106-V109 PolarHBondContact O-N 2.98Å; L106-S110 PolarHBondContact O-N 3.36Å
107	V	76.2	Confident	80.3	Confident	83 Å²	83	96.5 Å²	96.5	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-65.4	-46.3	-179	176.8	0	0	0	0	113	V109 S110 Q111	V107-V109 VanDerWaalsContact C-N 3.32Å; V107-V109 PolarHBondContact O-N 3.49Å; V107-S110 PolarHBondContact O-N 3.09Å; V107-S110 PolarHBondContact O-OG 3.39Å; V107-Q111 WeakPolarHBondContact O-CG 3.19Å; V107-Q111 PolarHBondContact O-N 3.44Å
108	P	80.2	Confident	80.7	Confident	53 Å²	53	91 Å²	91	34%	0.344	51%	0.509	S	S	.	.	H	α-helix	trans	-62.9	-38.6	173.9	-23.7	34.6	0	0	0	112.5	S110 Q111 Y112	P108-S110 PolarHBondContact O-N 3.33Å; P108-Q111 WeakPolarHBondContact O-CB 3.45Å; P108-Q111 PolarHBondContact O-N 2.91Å; P108-Y112 HydrophobicContact CB-CE2 4.25Å; P108-Y112 WeakPolarHBondContact O-CD2 3.46Å; P108-Y112 PolarHBondContact O-N 2.55Å
109	V	81.3	Confident	81.2	Confident	76 Å²	76	88.8 Å²	88.8	46%	0.461	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-42.3	178.7	173.4	0	0	0	0	111.3	K105 L106 V107 Q111 Y112 L113	K105-V109 WeakPolarHBondContact O-CG2 3.38Å; L106-V109 PolarHBondContact O-N 2.98Å; V107-V109 VanDerWaalsContact C-N 3.32Å; V107-V109 PolarHBondContact O-N 3.49Å; V109-Q111 VanDerWaalsContact C-N 3.32Å; V109-Q111 PolarHBondContact O-N 3.32Å; V109-Y112 PolarHBondContact O-N 2.97Å; V109-L113 HydrophobicContact CG1-CD1 4.04Å; V109-L113 HydrophobicContact CG1-CG 4.45Å; V109-L113 WeakPolarHBondContact O-CG 3.48Å; V109-L113 PolarHBondContact O-N 2.84Å
110	S	81.3	Confident	81.9	Confident	69 Å²	69	89.2 Å²	89.2	48%	0.483	50%	0.502	S	S	.	.	H	α-helix	trans	-65.9	-34.5	177.1	67.7	0	0	0	0	112.5	L106 V107 P108 L113 G114	L106-S110 PolarHBondContact O-N 3.36Å; V107-S110 PolarHBondContact O-N 3.09Å; V107-S110 PolarHBondContact O-OG 3.39Å; P108-S110 PolarHBondContact O-N 3.33Å; S110-L113 PolarHBondContact O-N 3.13Å; S110-G114 PolarHBondContact O-N 3.43Å
111	Q	87.8	Confident	82.8	Confident	125 Å²	125	88.8 Å²	88.8	58%	0.584	51%	0.506	S	S	*	.	H	α-helix	trans	-66.4	-41.4	173.7	-69.6	175.1	-20.1	0	0	112.7	V107 P108 V109 G114 T115	V107-Q111 WeakPolarHBondContact O-CG 3.19Å; V107-Q111 PolarHBondContact O-N 3.44Å; P108-Q111 WeakPolarHBondContact O-CB 3.45Å; P108-Q111 PolarHBondContact O-N 2.91Å; V109-Q111 VanDerWaalsContact C-N 3.32Å; V109-Q111 PolarHBondContact O-N 3.32Å; Q111-G114 PolarHBondContact O-N 3.47Å; Q111-T115 PolarHBondContact O-N 3.13Å; Q111-T115 PolarHBondContact O-OG1 2.94Å
112	Y	87.1	Confident	83.8	Confident	171 Å²	171	86.1 Å²	86.1	67%	0.671	50%	0.5	S	S	*	.	H	α-helix	trans	-63.7	-45.7	173.9	-71.9	-63.8	0	0	0	111.4	P108 V109 G114 T115 V116	P108-Y112 HydrophobicContact CB-CE2 4.25Å; P108-Y112 WeakPolarHBondContact O-CD2 3.46Å; P108-Y112 PolarHBondContact O-N 2.55Å; V109-Y112 PolarHBondContact O-N 2.97Å; Y112-G114 VanDerWaalsContact C-N 3.35Å; Y112-G114 PolarHBondContact O-N 3.07Å; Y112-T115 PolarHBondContact O-N 2.74Å; Y112-V116 WeakPolarHBondContact O-CG2 3.38Å; Y112-V116 PolarHBondContact O-N 3.42Å
113	L	86.6	Confident	84.8	Confident	106 Å²	106	84.2 Å²	84.2	56%	0.555	49%	0.487	S	S	*	.	H	α-helix	trans	-60.2	-44.3	175.7	-72.5	171.6	0	0	0	111.6	V109 S110 V116 L117	V109-L113 HydrophobicContact CG1-CD1 4.04Å; V109-L113 HydrophobicContact CG1-CG 4.45Å; V109-L113 WeakPolarHBondContact O-CG 3.48Å; V109-L113 PolarHBondContact O-N 2.84Å; S110-L113 PolarHBondContact O-N 3.13Å; L113-V116 PolarHBondContact O-N 3.19Å; L113-L117 VanDerWaalsContact O-CG 3.3Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 2.97Å
114	G	89.2	Confident	86	Confident	31 Å²	31	80.2 Å²	80.2	32%	0.32	46%	0.46	S	S	.	.	H	α-helix	trans	-59.4	-46.6	176	0	0	0	0	0	112.4	S110 Q111 Y112 V116 L117 V118	S110-G114 PolarHBondContact O-N 3.43Å; Q111-G114 PolarHBondContact O-N 3.47Å; Y112-G114 VanDerWaalsContact C-N 3.35Å; Y112-G114 PolarHBondContact O-N 3.07Å; G114-V116 PolarHBondContact O-N 2.79Å; G114-L117 PolarHBondContact O-N 3.39Å; G114-V118 WeakPolarHBondContact O-CG2 3.33Å; G114-V118 PolarHBondContact O-N 2.82Å
115	T	90.4	Very high	87	Confident	87 Å²	87	78.5 Å²	78.5	53%	0.534	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-45.6	176.6	-54.8	0	0	0	0	111.5	Q111 Y112 L117 V118 C119	Q111-T115 PolarHBondContact O-N 3.13Å; Q111-T115 PolarHBondContact O-OG1 2.94Å; Y112-T115 PolarHBondContact O-N 2.74Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.09Å; T115-V118 PolarHBondContact O-N 3.31Å; T115-C119 PolarHBondContact O-N 3.06Å; T115-C119 PolarHBondContact O-SG 3.28Å; T115-C119 VanDerWaalsContact O-SG 3.33Å
116	V	91	Very high	88.1	Confident	80 Å²	80	77.6 Å²	77.6	49%	0.485	45%	0.447	S	S	.	.	H	α-helix	trans	-59.4	-44.3	176.6	169.9	0	0	0	0	111.1	Y112 L113 G114 V118 C119 L120	Y112-V116 WeakPolarHBondContact O-CG2 3.38Å; Y112-V116 PolarHBondContact O-N 3.42Å; L113-V116 PolarHBondContact O-N 3.19Å; G114-V116 PolarHBondContact O-N 2.79Å; V116-V118 PolarHBondContact O-N 3.35Å; V116-C119 PolarHBondContact O-N 3Å; V116-L120 HydrophobicContact CG1-CD1 3.91Å; V116-L120 HydrophobicContact CG1-CG 4.29Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 2.99Å; V116-L120 PolarHBondContact O-N 2.89Å
117	L	91.3	Very high	89	Confident	117 Å²	117	75.2 Å²	75.2	61%	0.613	43%	0.432	S	S	*	.	H	α-helix	trans	-62.4	-42.4	178.1	-72.1	170.6	0	0	0	112.4	L113 G114 T115 L120 L121	L113-L117 VanDerWaalsContact O-CG 3.3Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 2.97Å; G114-L117 PolarHBondContact O-N 3.39Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.09Å; L117-L120 PolarHBondContact O-N 3.38Å; L117-L121 WeakPolarHBondContact O-CB 3.29Å; L117-L121 PolarHBondContact O-N 3.19Å
118	V	93.4	Very high	89.8	Confident	104 Å²	104	71.3 Å²	71.3	63%	0.63	41%	0.408	S	S	*	.	H	α-helix	trans	-63.3	-42.9	175.7	172.9	0	0	0	0	111	G114 T115 V116 L121 G122	G114-V118 WeakPolarHBondContact O-CG2 3.33Å; G114-V118 PolarHBondContact O-N 2.82Å; T115-V118 PolarHBondContact O-N 3.31Å; V116-V118 PolarHBondContact O-N 3.35Å; V118-L121 WeakPolarHBondContact O-CB 3.41Å; V118-L121 PolarHBondContact O-N 3.05Å; V118-G122 PolarHBondContact O-N 3.43Å
119	C	93.4	Very high	90.4	Very high	76 Å²	76	74.5 Å²	74.5	51%	0.514	41%	0.413	S	S	.	.	H	α-helix	trans	-61.2	-45.5	175.1	-71.3	0	0	0	0	111.8	T115 V116 L121 G122 V123	T115-C119 PolarHBondContact O-N 3.06Å; T115-C119 PolarHBondContact O-SG 3.28Å; T115-C119 VanDerWaalsContact O-SG 3.33Å; V116-C119 PolarHBondContact O-N 3Å; C119-L121 VanDerWaalsContact C-N 3.31Å; C119-L121 PolarHBondContact O-N 3.44Å; C119-G122 PolarHBondContact O-N 2.93Å; C119-G122 VanDerWaalsContact O-N 3.16Å; C119-V123 WeakPolarHBondContact O-CG2 3.44Å; C119-V123 PolarHBondContact O-N 2.88Å
120	L	92.5	Very high	90.9	Very high	46 Å²	46	71 Å²	71	24%	0.241	39%	0.392	C	S	.	.	H	α-helix	trans	-63.4	-36.7	177.5	-69.7	174	0	0	0	112.1	L74 A77 V116 L117 V123 A124	L74-L120 HydrophobicContact CD2-CD2 4.14Å; A77-L120 HydrophobicContact CB-CD1 4.26Å; A77-L120 HydrophobicContact CB-CD2 3.85Å; V116-L120 HydrophobicContact CG1-CD1 3.91Å; V116-L120 HydrophobicContact CG1-CG 4.29Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 2.99Å; V116-L120 PolarHBondContact O-N 2.89Å; L117-L120 PolarHBondContact O-N 3.38Å; L120-V123 PolarHBondContact O-N 3.47Å; L120-A124 PolarHBondContact O-N 3.01Å
121	L	91.6	Very high	91.5	Very high	98 Å²	98	67.7 Å²	67.7	51%	0.513	37%	0.369	S	S	.	.	H	α-helix	trans	-63.3	-43.9	172.6	-178	64.7	0	0	0	111.3	L117 V118 C119 V123 A124 C125	L117-L121 WeakPolarHBondContact O-CB 3.29Å; L117-L121 PolarHBondContact O-N 3.19Å; V118-L121 WeakPolarHBondContact O-CB 3.41Å; V118-L121 PolarHBondContact O-N 3.05Å; C119-L121 VanDerWaalsContact C-N 3.31Å; C119-L121 PolarHBondContact O-N 3.44Å; L121-V123 VanDerWaalsContact C-N 3.34Å; L121-V123 PolarHBondContact O-N 3.47Å; L121-A124 WeakPolarHBondContact O-CB 3.47Å; L121-A124 PolarHBondContact O-N 3.23Å; L121-C125 PolarHBondContact O-N 2.93Å; L121-C125 PolarHBondContact O-SG 3.04Å; L121-C125 VanDerWaalsContact O-SG 3.41Å
122	G	93.4	Very high	91.7	Very high	32 Å²	32	65.9 Å²	65.9	33%	0.33	36%	0.357	S	S	.	.	H	α-helix	trans	-57.9	-45	173.4	0	0	0	0	0	112.4	V118 C119 A124 C125 I126	V118-G122 PolarHBondContact O-N 3.43Å; C119-G122 PolarHBondContact O-N 2.93Å; C119-G122 VanDerWaalsContact O-N 3.16Å; G122-A124 VanDerWaalsContact C-N 3.34Å; G122-A124 PolarHBondContact O-N 3.34Å; G122-C125 WeakPolarHBondContact O-CB 3.49Å; G122-C125 PolarHBondContact O-N 2.9Å; G122-I126 WeakPolarHBondContact O-CG1 3.41Å; G122-I126 PolarHBondContact O-N 3.05Å
123	V	93.1	Very high	91.9	Very high	22 Å²	22	64.3 Å²	64.3	13%	0.133	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-42.7	174.7	172.3	0	0	0	0	111.3	T70 I73 L74 C119 L120 L121 C125 I126 R127	T70-V123 HydrophobicContact CG2-CG1 3.91Å; I73-V123 HydrophobicContact CB-CG1 4.26Å; I73-V123 HydrophobicContact CD1-CG2 4.45Å; I73-V123 HydrophobicContact CG2-CG1 4.27Å; I73-V123 HydrophobicContact CG2-CG2 4.3Å; L74-V123 HydrophobicContact CD1-CG1 4.3Å; L74-V123 HydrophobicContact CD2-CG1 4.09Å; L74-V123 HydrophobicContact CG-CG1 3.86Å; C119-V123 WeakPolarHBondContact O-CG2 3.44Å; C119-V123 PolarHBondContact O-N 2.88Å; L120-V123 PolarHBondContact O-N 3.47Å; L121-V123 VanDerWaalsContact C-N 3.34Å; L121-V123 PolarHBondContact O-N 3.47Å; V123-C125 VanDerWaalsContact C-N 3.35Å; V123-C125 PolarHBondContact O-N 3.15Å; V123-I126 PolarHBondContact O-N 2.83Å; V123-R127 WeakPolarHBondContact O-CB 3.44Å; V123-R127 PolarHBondContact O-N 3.19Å
124	A	91.1	Very high	92.2	Very high	18 Å²	18	59.8 Å²	59.8	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-37.5	176.9	0	0	0	0	0	112.7	L120 L121 G122 R127 G128	L120-A124 PolarHBondContact O-N 3.01Å; L121-A124 WeakPolarHBondContact O-CB 3.47Å; L121-A124 PolarHBondContact O-N 3.23Å; G122-A124 VanDerWaalsContact C-N 3.34Å; G122-A124 PolarHBondContact O-N 3.34Å; A124-R127 WeakPolarHBondContact O-CB 3.35Å; A124-R127 PolarHBondContact O-N 3.19Å; A124-G128 PolarHBondContact O-N 3.44Å
125	C	93.3	Very high	92.4	Very high	63 Å²	63	63.2 Å²	63.2	43%	0.426	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-44	173.8	-70.8	0	0	0	0	112	L121 G122 V123 R127 G128 W129	L121-C125 PolarHBondContact O-N 2.93Å; L121-C125 PolarHBondContact O-SG 3.04Å; L121-C125 VanDerWaalsContact O-SG 3.41Å; G122-C125 WeakPolarHBondContact O-CB 3.49Å; G122-C125 PolarHBondContact O-N 2.9Å; V123-C125 VanDerWaalsContact C-N 3.35Å; V123-C125 PolarHBondContact O-N 3.15Å; C125-R127 VanDerWaalsContact C-N 3.33Å; C125-R127 PolarHBondContact O-N 3.06Å; C125-G128 PolarHBondContact O-N 3.13Å; C125-W129 PolarHBondContact O-N 3.23Å
126	I	92.4	Very high	92.5	Very high	85 Å²	85	61.7 Å²	61.7	44%	0.436	33%	0.33	S	S	.	.	H	α-helix	trans	-62.9	-41.7	176.6	-64.7	165.9	0	0	0	110.6	T70 G122 V123 G128 W129 G130	T70-I126 HydrophobicContact CG2-CB 3.97Å; T70-I126 HydrophobicContact CG2-CG2 3.69Å; G122-I126 WeakPolarHBondContact O-CG1 3.41Å; G122-I126 PolarHBondContact O-N 3.05Å; V123-I126 PolarHBondContact O-N 2.83Å; I126-G128 VanDerWaalsContact C-N 3.35Å; I126-G128 PolarHBondContact O-N 3.33Å; I126-W129 WeakPolarHBondContact O-CB 3.47Å; I126-W129 PolarHBondContact O-N 3.39Å; I126-G130 PolarHBondContact O-N 3.15Å
127	R	93.3	Very high	92.6	Very high	38 Å²	38	57.9 Å²	57.9	14%	0.143	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-47.8	173	-174.9	-172.4	61.2	140.3	4.2	111.5	V33 E67 T70 D71 V123 A124 C125 W129 G130 R131	V33-R127 PolarHBondContact O-NH2 3.36Å; E67-R127 HydrophobicContact CG-CG 4.18Å; T70-R127 HydrophobicContact CG2-CB 4.45Å; T70-R127 WeakPolarHBondContact OG1-CA 3.43Å; T70-R127 VanDerWaalsContact OG1-CB 3.27Å; T70-R127 WeakPolarHBondContact OG1-CB 3.49Å; D71-R127 WeakPolarHBondContact OD1-CD 3.36Å; V123-R127 WeakPolarHBondContact O-CB 3.44Å; V123-R127 PolarHBondContact O-N 3.19Å; A124-R127 WeakPolarHBondContact O-CB 3.35Å; A124-R127 PolarHBondContact O-N 3.19Å; C125-R127 VanDerWaalsContact C-N 3.33Å; C125-R127 PolarHBondContact O-N 3.06Å; R127-W129 VanDerWaalsContact C-N 3.3Å; R127-W129 PolarHBondContact O-N 3.28Å; R127-G130 WeakPolarHBondContact O-CA 3.41Å; R127-G130 PolarHBondContact O-N 3.33Å; R127-R131 VanDerWaalsContact NH1-CZ 3.27Å; R127-R131 PolarHBondContact O-N 3Å
128	G	92.4	Very high	92.8	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-37.7	177.9	0	0	0	0	0	113.2	C32 A124 C125 I126 R131 W132	C32-G128 VanDerWaalsContact CB-O 3.29Å; C32-G128 WeakPolarHBondContact CB-O 3.44Å; A124-G128 PolarHBondContact O-N 3.44Å; C125-G128 PolarHBondContact O-N 3.13Å; I126-G128 VanDerWaalsContact C-N 3.35Å; I126-G128 PolarHBondContact O-N 3.33Å; G128-R131 PolarHBondContact O-N 2.92Å; G128-W132 WeakPolarHBondContact O-CB 3.39Å; G128-W132 PolarHBondContact O-N 2.73Å
129	W	92	Very high	92.8	Very high	120 Å²	120	54.5 Å²	54.5	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-63.8	-41.5	171.4	-176.6	-96.4	0	0	0	112.5	L29 C125 I126 R127 R131 W132 R133	L29-W129 HydrophobicContact CD1-CE3 4.05Å; L29-W129 HydrophobicContact CD2-CE3 4.31Å; C125-W129 PolarHBondContact O-N 3.23Å; I126-W129 WeakPolarHBondContact O-CB 3.47Å; I126-W129 PolarHBondContact O-N 3.39Å; R127-W129 VanDerWaalsContact C-N 3.3Å; R127-W129 PolarHBondContact O-N 3.28Å; W129-R131 VanDerWaalsContact C-N 3.34Å; W129-R131 PolarHBondContact O-N 2.66Å; W129-W132 HydrophobicContact CD2-CE3 4.28Å; W129-W132 AromaticContact CE3-CE3 3.81Å; W129-W132 HydrophobicContact CE3-CE3 3.81Å; W129-W132 HydrophobicContact CE3-CZ3 4.02Å; W129-W132 HydrophobicContact CH2-CE3 4.16Å; W129-W132 AromaticContact CH2-CZ3 3.57Å; W129-W132 HydrophobicContact CH2-CZ3 3.57Å; W129-W132 HydrophobicContact CZ2-CZ3 4.2Å; W129-W132 AromaticContact CZ3-CE3 3.75Å; W129-W132 HydrophobicContact CZ3-CE3 3.75Å; W129-W132 AromaticContact CZ3-CZ3 3.46Å; W129-W132 HydrophobicContact CZ3-CZ3 3.46Å; W129-W132 VanDerWaalsContact CZ3-CZ3 3.46Å; W129-W132 PolarHBondContact O-N 3.2Å; W129-R133 PolarHBondContact O-N 2.82Å
130	G	91.4	Very high	92.9	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-46.1	173.7	0	0	0	0	0	112.5	I126 R127 R133 N134	I126-G130 PolarHBondContact O-N 3.15Å; R127-G130 WeakPolarHBondContact O-CA 3.41Å; R127-G130 PolarHBondContact O-N 3.33Å; G130-R133 PolarHBondContact O-N 3.17Å; G130-N134 PolarHBondContact O-N 2.9Å
131	R	94	Very high	93	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-42.4	176.8	-76.1	170.4	173.4	-165.6	-3	113.4	C32 G35 P36 E67 R127 G128 W129 R133 N134 Y137	C32-R131 HydrophobicContact CB-CB 3.92Å; C32-R131 VanDerWaalsContact O-CD 3.27Å; C32-R131 WeakPolarHBondContact O-CD 3.27Å; G35-R131 PolarHBondContact O-NH1 3.01Å; P36-R131 PolarHBondContact O-NH1 2.87Å; E67-R131 VanDerWaalsContact CD-CG 3.5Å; E67-R131 HydrophobicContact CG-CG 4.39Å; E67-R131 WeakPolarHBondContact OE1-CG 3.38Å; E67-R131 IonicContact OE1-CZ 3.08Å; E67-R131 IonicContact OE1-NE 3.2Å; E67-R131 PolarHBondContact OE1-NE 2.92Å; E67-R131 IonicContact OE1-NH2 2.64Å; R127-R131 VanDerWaalsContact NH1-CZ 3.27Å; R127-R131 PolarHBondContact O-N 3Å; G128-R131 PolarHBondContact O-N 2.92Å; W129-R131 VanDerWaalsContact C-N 3.34Å; W129-R131 PolarHBondContact O-N 2.66Å; R131-R133 PolarHBondContact O-N 2.9Å; R131-N134 WeakPolarHBondContact O-CB 3.42Å; R131-N134 PolarHBondContact O-N 3.11Å; R131-Y137 HydrophobicContact CB-CD1 3.65Å; R131-Y137 HydrophobicContact CB-CD2 4.42Å; R131-Y137 HydrophobicContact CB-CE1 3.86Å; R131-Y137 HydrophobicContact CB-CG 3.95Å; R131-Y137 HydrophobicContact CG-CD1 4.1Å; R131-Y137 HydrophobicContact CG-CD2 4Å; R131-Y137 HydrophobicContact CG-CE1 4.12Å; R131-Y137 HydrophobicContact CG-CE2 4.02Å; R131-Y137 HydrophobicContact CG-CG 4.04Å; R131-Y137 PolarHBondContact NH1-OH 2.99Å; R131-Y137 VanDerWaalsContact NH1-OH 3.08Å
132	W	92.5	Very high	93.2	Very high	87 Å²	87	46.2 Å²	46.2	33%	0.33	24%	0.238	S	C	.	.	H	α-helix	trans	-61.7	-29.5	178.3	-179.6	53	0	0	0	112.7	A25 L29 C32 G128 W129 N134 V138	A25-W132 HydrophobicContact CB-CZ2 4.47Å; L29-W132 HydrophobicContact CD1-CB 3.87Å; L29-W132 HydrophobicContact CD1-CD2 4.3Å; L29-W132 HydrophobicContact CD1-CE3 4.3Å; L29-W132 HydrophobicContact CD1-CG 4.13Å; C32-W132 HydrophobicContact CB-CB 4.16Å; G128-W132 WeakPolarHBondContact O-CB 3.39Å; G128-W132 PolarHBondContact O-N 2.73Å; W129-W132 HydrophobicContact CD2-CE3 4.28Å; W129-W132 AromaticContact CE3-CE3 3.81Å; W129-W132 HydrophobicContact CE3-CE3 3.81Å; W129-W132 HydrophobicContact CE3-CZ3 4.02Å; W129-W132 HydrophobicContact CH2-CE3 4.16Å; W129-W132 AromaticContact CH2-CZ3 3.57Å; W129-W132 HydrophobicContact CH2-CZ3 3.57Å; W129-W132 HydrophobicContact CZ2-CZ3 4.2Å; W129-W132 AromaticContact CZ3-CE3 3.75Å; W129-W132 HydrophobicContact CZ3-CE3 3.75Å; W129-W132 AromaticContact CZ3-CZ3 3.46Å; W129-W132 HydrophobicContact CZ3-CZ3 3.46Å; W129-W132 VanDerWaalsContact CZ3-CZ3 3.46Å; W129-W132 PolarHBondContact O-N 3.2Å; W132-N134 VanDerWaalsContact C-N 3.33Å; W132-V138 VanDerWaalsContact O-CG2 3.27Å; W132-V138 WeakPolarHBondContact O-CG2 3.41Å
133	R	91.9	Very high	93.2	Very high	139 Å²	139	45 Å²	45	53%	0.525	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.8	174.7	-63.2	-175.5	68.2	-168.9	2.5	113.7	R64 W129 G130 R131	R64-R133 PolarHBondContact NH1-O 3.21Å; R64-R133 PolarHBondContact NH2-O 3.01Å; R64-R133 VanDerWaalsContact NH2-O 3.1Å; W129-R133 PolarHBondContact O-N 2.82Å; G130-R133 PolarHBondContact O-N 3.17Å; R131-R133 PolarHBondContact O-N 2.9Å
134	N	93	Very high	93.3	Very high	11 Å²	11	44 Å²	44	6%	0.059	22%	0.218	C	C	.	.			trans	-95	116.9	178.5	-168.5	-30.2	0	0	0	110.3	Y61 Q62 G130 R131 W132 D136 Y137 V138	Y61-N134 VanDerWaalsContact CE2-ND2 3.25Å; Y61-N134 WeakPolarHBondContact CE2-ND2 3.47Å; Y61-N134 PolarHBondContact OH-ND2 3.03Å; Q62-N134 PolarHBondContact O-ND2 2.88Å; G130-N134 PolarHBondContact O-N 2.9Å; R131-N134 WeakPolarHBondContact O-CB 3.42Å; R131-N134 PolarHBondContact O-N 3.11Å; W132-N134 VanDerWaalsContact C-N 3.33Å; N134-D136 VanDerWaalsContact C-N 3.31Å; N134-D136 PolarHBondContact O-N 2.87Å; N134-D136 PolarHBondContact OD1-N 3.17Å; N134-D136 VanDerWaalsContact OD1-N 3.08Å; N134-Y137 PolarHBondContact O-N 3.44Å; N134-V138 WeakPolarHBondContact O-CG2 3.35Å; N134-V138 PolarHBondContact O-N 2.89Å
135	T	92.4	Very high	93.4	Very high	103 Å²	103	44.2 Å²	44.2	63%	0.632	22%	0.216	S	C	*	.	H	α-helix	trans	-62.5	-37.7	-177.3	47.6	0	0	0	0	112.7	V138 H139	T135-V138 PolarHBondContact O-N 3.43Å; T135-H139 WeakPolarHBondContact O-CB 3.46Å; T135-H139 PolarHBondContact O-N 3.47Å
136	D	92.6	Very high	93.4	Very high	54 Å²	54	45.4 Å²	45.4	29%	0.289	22%	0.215	S	C	.	.	H	α-helix	trans	-66.6	-43.9	-179.3	-69.1	-2.7	0	0	0	110.3	I41 Y61 N134 H139 F140	I41-D136 HydrophobicContact CD1-CB 3.85Å; Y61-D136 HydrophobicContact CD2-CB 4.46Å; Y61-D136 HydrophobicContact CE2-CB 4.37Å; N134-D136 VanDerWaalsContact C-N 3.31Å; N134-D136 PolarHBondContact O-N 2.87Å; N134-D136 PolarHBondContact OD1-N 3.17Å; N134-D136 VanDerWaalsContact OD1-N 3.08Å; D136-H139 PolarHBondContact O-N 2.94Å; D136-F140 WeakPolarHBondContact O-CB 3Å; D136-F140 PolarHBondContact O-N 2.89Å
137	Y	94.5	Very high	93.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-42.4	177.6	-167.2	-82.3	0	0	0	112	C32 G35 P36 L38 Y61 R131 N134 H139 F140 I141	C32-Y137 HydrophobicContact CB-CE1 4.34Å; G35-Y137 VanDerWaalsContact C-OH 3.24Å; G35-Y137 WeakPolarHBondContact CA-OH 3.3Å; G35-Y137 PolarHBondContact O-OH 2.75Å; P36-Y137 WeakPolarHBondContact O-CE2 3.49Å; P36-Y137 PolarHBondContact O-OH 3.37Å; L38-Y137 HydrophobicContact CB-CD2 4.04Å; L38-Y137 HydrophobicContact CB-CE2 4.17Å; Y61-Y137 HydrophobicContact CE1-CD2 4.5Å; Y61-Y137 HydrophobicContact CE2-CD2 4.42Å; R131-Y137 HydrophobicContact CB-CD1 3.65Å; R131-Y137 HydrophobicContact CB-CD2 4.42Å; R131-Y137 HydrophobicContact CB-CE1 3.86Å; R131-Y137 HydrophobicContact CB-CG 3.95Å; R131-Y137 HydrophobicContact CG-CD1 4.1Å; R131-Y137 HydrophobicContact CG-CD2 4Å; R131-Y137 HydrophobicContact CG-CE1 4.12Å; R131-Y137 HydrophobicContact CG-CE2 4.02Å; R131-Y137 HydrophobicContact CG-CG 4.04Å; R131-Y137 PolarHBondContact NH1-OH 2.99Å; R131-Y137 VanDerWaalsContact NH1-OH 3.08Å; N134-Y137 PolarHBondContact O-N 3.44Å; Y137-H139 VanDerWaalsContact C-N 3.3Å; Y137-H139 PolarHBondContact O-N 3.31Å; Y137-F140 HydrophobicContact CD2-CD1 4.2Å; Y137-F140 HydrophobicContact CE2-CD1 4.11Å; Y137-F140 HydrophobicContact CE2-CE1 4.14Å; Y137-F140 WeakPolarHBondContact O-CB 3.43Å; Y137-F140 PolarHBondContact O-N 2.87Å; Y137-I141 HydrophobicContact CD1-CB 4.46Å; Y137-I141 HydrophobicContact CE1-CB 4.17Å; Y137-I141 HydrophobicContact CE1-CG1 4.49Å; Y137-I141 WeakPolarHBondContact O-CB 3.35Å; Y137-I141 WeakPolarHBondContact O-CG2 3.35Å; Y137-I141 PolarHBondContact O-N 2.95Å
138	V	94.1	Very high	93.4	Very high	37 Å²	37	44 Å²	44	22%	0.224	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-37.5	177.1	172.1	0	0	0	0	111.2	M28 W132 N134 T135 I141 S142	M28-V138 HydrophobicContact SD-CG1 4.43Å; W132-V138 VanDerWaalsContact O-CG2 3.27Å; W132-V138 WeakPolarHBondContact O-CG2 3.41Å; N134-V138 WeakPolarHBondContact O-CG2 3.35Å; N134-V138 PolarHBondContact O-N 2.89Å; T135-V138 PolarHBondContact O-N 3.43Å; V138-I141 WeakPolarHBondContact O-CG2 3.47Å; V138-S142 WeakPolarHBondContact O-CB 3.41Å; V138-S142 PolarHBondContact O-N 2.82Å; V138-S142 PolarHBondContact O-OG 2.85Å
139	H	94.1	Very high	93.3	Very high	113 Å²	113	50.3 Å²	50.3	52%	0.523	23%	0.234	S	C	.	.	H	α-helix	trans	-64.8	-51	173.9	-179.8	45.3	0	0	0	111.2	T135 D136 Y137 I141 S142 V143 F162	T135-H139 WeakPolarHBondContact O-CB 3.46Å; T135-H139 PolarHBondContact O-N 3.47Å; D136-H139 PolarHBondContact O-N 2.94Å; Y137-H139 VanDerWaalsContact C-N 3.3Å; Y137-H139 PolarHBondContact O-N 3.31Å; H139-I141 PolarHBondContact O-N 2.89Å; H139-S142 WeakPolarHBondContact O-CB 3.5Å; H139-S142 PolarHBondContact O-N 3.39Å; H139-V143 WeakPolarHBondContact O-CG2 3.3Å; H139-V143 PolarHBondContact O-N 3.02Å; H139-F162 AromaticContact CD2-CZ 3.66Å; H139-F162 AromaticContact NE2-CZ 3.94Å
140	F	95.4	Very high	93.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-52.4	-54.6	176	155	-114.3	0	0	0	112.5	P36 L38 D136 Y137 S142 V143 L144 F162 F164	P36-F140 HydrophobicContact CG-CE1 3.79Å; P36-F140 HydrophobicContact CG-CZ 3.51Å; L38-F140 HydrophobicContact CB-CD1 4.04Å; L38-F140 HydrophobicContact CB-CE1 4.15Å; L38-F140 HydrophobicContact CD1-CB 4.43Å; L38-F140 HydrophobicContact CD1-CD1 4.21Å; L38-F140 HydrophobicContact CD1-CD2 4Å; L38-F140 HydrophobicContact CD1-CE2 4.34Å; L38-F140 HydrophobicContact CD1-CG 3.92Å; L38-F140 HydrophobicContact CD2-CB 3.88Å; L38-F140 HydrophobicContact CD2-CD1 4.1Å; L38-F140 HydrophobicContact CD2-CG 4.02Å; L38-F140 HydrophobicContact CG-CD1 4.35Å; L38-F140 HydrophobicContact CG-CG 4.41Å; D136-F140 WeakPolarHBondContact O-CB 3Å; D136-F140 PolarHBondContact O-N 2.89Å; Y137-F140 HydrophobicContact CD2-CD1 4.2Å; Y137-F140 HydrophobicContact CE2-CD1 4.11Å; Y137-F140 HydrophobicContact CE2-CE1 4.14Å; Y137-F140 WeakPolarHBondContact O-CB 3.43Å; Y137-F140 PolarHBondContact O-N 2.87Å; F140-S142 PolarHBondContact O-N 2.85Å; F140-V143 PolarHBondContact O-N 2.91Å; F140-V143 VanDerWaalsContact O-N 3.1Å; F140-L144 HydrophobicContact CE2-CB 4.25Å; F140-L144 HydrophobicContact CE2-CD2 4.35Å; F140-L144 HydrophobicContact CZ-CD2 3.99Å; F140-L144 PolarHBondContact O-N 2.85Å; F140-F162 HydrophobicContact CB-CD1 3.85Å; F140-F162 HydrophobicContact CB-CE1 3.87Å; F140-F162 HydrophobicContact CB-CG 4.33Å; F140-F162 HydrophobicContact CB-CZ 4.37Å; F140-F162 HydrophobicContact CD2-CB 3.78Å; F140-F162 HydrophobicContact CD2-CD1 4.06Å; F140-F162 HydrophobicContact CD2-CD2 4.2Å; F140-F162 AromaticContact CD2-CG 3.75Å; F140-F162 HydrophobicContact CD2-CG 3.75Å; F140-F162 HydrophobicContact CE2-CB 4.21Å; F140-F162 HydrophobicContact CG-CD1 4.32Å; F140-F162 HydrophobicContact CG-CG 4.45Å; F140-F164 HydrophobicContact CD2-CD1 4.39Å; F140-F164 HydrophobicContact CE2-CB 4.05Å; F140-F164 AromaticContact CE2-CD1 3.41Å; F140-F164 HydrophobicContact CE2-CD1 3.41Å; F140-F164 VanDerWaalsContact CE2-CD1 3.41Å; F140-F164 HydrophobicContact CE2-CD2 4.2Å; F140-F164 AromaticContact CE2-CE1 3.84Å; F140-F164 HydrophobicContact CE2-CE1 3.84Å; F140-F164 AromaticContact CE2-CG 3.62Å; F140-F164 HydrophobicContact CE2-CG 3.62Å; F140-F164 HydrophobicContact CE2-CZ 4.38Å; F140-F164 HydrophobicContact CZ-CB 3.71Å; F140-F164 AromaticContact CZ-CD1 3.91Å; F140-F164 HydrophobicContact CZ-CD1 3.91Å; F140-F164 AromaticContact CZ-CD2 3.96Å; F140-F164 HydrophobicContact CZ-CD2 3.96Å; F140-F164 AromaticContact CZ-CG 3.58Å; F140-F164 HydrophobicContact CZ-CG 3.58Å
141	I	95.2	Very high	93.1	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-31.7	-175.4	-162.9	65	0	0	0	111.1	M28 R31 Y137 V138 H139 L144 E145	M28-I141 HydrophobicContact SD-CG2 3.74Å; R31-I141 HydrophobicContact CB-CG1 3.95Å; Y137-I141 HydrophobicContact CD1-CB 4.46Å; Y137-I141 HydrophobicContact CE1-CB 4.17Å; Y137-I141 HydrophobicContact CE1-CG1 4.49Å; Y137-I141 WeakPolarHBondContact O-CB 3.35Å; Y137-I141 WeakPolarHBondContact O-CG2 3.35Å; Y137-I141 PolarHBondContact O-N 2.95Å; V138-I141 WeakPolarHBondContact O-CG2 3.47Å; H139-I141 PolarHBondContact O-N 2.89Å; I141-L144 HydrophobicContact CD1-CD2 4.12Å; I141-L144 PolarHBondContact O-N 2.98Å; I141-E145 WeakPolarHBondContact O-CB 3.41Å; I141-E145 VanDerWaalsContact O-CG 3.26Å; I141-E145 WeakPolarHBondContact O-CG 3.31Å; I141-E145 PolarHBondContact O-N 3.01Å
142	S	94.3	Very high	93	Very high	45 Å²	45	55.8 Å²	55.8	32%	0.315	27%	0.272	S	S	.	.	H	α-helix	trans	-66.3	-45.1	174.5	-58.5	0	0	0	0	111.4	V138 H139 F140 E145 E146	V138-S142 WeakPolarHBondContact O-CB 3.41Å; V138-S142 PolarHBondContact O-N 2.82Å; V138-S142 PolarHBondContact O-OG 2.85Å; H139-S142 WeakPolarHBondContact O-CB 3.5Å; H139-S142 PolarHBondContact O-N 3.39Å; F140-S142 PolarHBondContact O-N 2.85Å; S142-E145 PolarHBondContact O-N 3.33Å; S142-E146 WeakPolarHBondContact O-CB 3.33Å; S142-E146 PolarHBondContact O-N 3.1Å
143	V	94.5	Very high	92.8	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.036	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-42	175.6	173.3	0	0	0	0	111	H139 F140 E146 T147 K158 L159 F162	H139-V143 WeakPolarHBondContact O-CG2 3.3Å; H139-V143 PolarHBondContact O-N 3.02Å; F140-V143 PolarHBondContact O-N 2.91Å; F140-V143 VanDerWaalsContact O-N 3.1Å; V143-E146 PolarHBondContact O-N 3.4Å; V143-T147 WeakPolarHBondContact O-CB 3.38Å; V143-T147 PolarHBondContact O-N 2.96Å; V143-T147 PolarHBondContact O-OG1 2.93Å; V143-K158 HydrophobicContact CG1-CB 3.79Å; V143-L159 HydrophobicContact CG1-CB 4.23Å; V143-L159 HydrophobicContact CG1-CD1 4.3Å; V143-F162 HydrophobicContact CB-CE2 4.28Å; V143-F162 HydrophobicContact CG1-CE2 4.25Å; V143-F162 HydrophobicContact CG2-CE2 4.25Å
144	L	95.1	Very high	92.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-47.2	176.8	179	61.2	0	0	0	111.9	P36 F140 I141 T147 K148 L159 F164 H168	P36-L144 HydrophobicContact CG-CD2 3.67Å; F140-L144 HydrophobicContact CE2-CB 4.25Å; F140-L144 HydrophobicContact CE2-CD2 4.35Å; F140-L144 HydrophobicContact CZ-CD2 3.99Å; F140-L144 PolarHBondContact O-N 2.85Å; I141-L144 HydrophobicContact CD1-CD2 4.12Å; I141-L144 PolarHBondContact O-N 2.98Å; L144-T147 PolarHBondContact O-N 3.2Å; L144-K148 HydrophobicContact CD1-CD 4.45Å; L144-K148 HydrophobicContact CD1-CG 4.4Å; L144-K148 HydrophobicContact CG-CD 4.38Å; L144-K148 WeakPolarHBondContact O-CB 3.47Å; L144-K148 WeakPolarHBondContact O-CG 3.31Å; L144-K148 PolarHBondContact O-N 3.37Å; L144-L159 HydrophobicContact CB-CD1 4.19Å; L144-L159 HydrophobicContact CD1-CD1 3.98Å; L144-L159 HydrophobicContact CD1-CD2 4.16Å; L144-F164 HydrophobicContact CD1-CE2 4.01Å; L144-F164 HydrophobicContact CD1-CZ 3.88Å; L144-F164 HydrophobicContact CD2-CE2 4.37Å; L144-H168 HydrophobicContact CD2-CB 4.3Å
145	E	93.3	Very high	92.6	Very high	22 Å²	22	55.4 Å²	55.4	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-36.2	179.6	-72.3	-70.1	130	0	0	112.3	R31 I141 S142 K149	R31-E145 HydrophobicContact CG-CG 4.49Å; R31-E145 IonicContact CZ-OE1 2.68Å; R31-E145 IonicContact CZ-OE2 3.74Å; R31-E145 IonicContact NE-OE1 2.75Å; R31-E145 PolarHBondContact NE-OE1 2.9Å; R31-E145 IonicContact NE-OE2 2.92Å; R31-E145 PolarHBondContact NE-OE2 3.41Å; R31-E145 IonicContact NH1-OE1 3.4Å; R31-E145 IonicContact NH2-OE1 3.06Å; R31-E145 IonicContact NH2-OE2 3.45Å; R31-E145 PolarHBondContact NH2-OE2 3.18Å; I141-E145 WeakPolarHBondContact O-CB 3.41Å; I141-E145 VanDerWaalsContact O-CG 3.26Å; I141-E145 WeakPolarHBondContact O-CG 3.31Å; I141-E145 PolarHBondContact O-N 3.01Å; S142-E145 PolarHBondContact O-N 3.33Å; E145-K149 VanDerWaalsContact O-CG 3.3Å; E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 2.97Å; E145-K149 VanDerWaalsContact O-N 3.17Å
146	E	93	Very high	92.6	Very high	89 Å²	89	51.6 Å²	51.6	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-45.7	173	-172.3	178.7	-173.7	0	0	111	S142 V143 K149 N150	S142-E146 WeakPolarHBondContact O-CB 3.33Å; S142-E146 PolarHBondContact O-N 3.1Å; V143-E146 PolarHBondContact O-N 3.4Å; E146-K149 PolarHBondContact O-N 3.35Å; E146-N150 PolarHBondContact O-N 3.39Å
147	T	93.2	Very high	92.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-40.4	179.6	-50.9	0	0	0	0	111.7	V143 L144 K149 N150 H151 N155 L159 P170	V143-T147 WeakPolarHBondContact O-CB 3.38Å; V143-T147 PolarHBondContact O-N 2.96Å; V143-T147 PolarHBondContact O-OG1 2.93Å; L144-T147 PolarHBondContact O-N 3.2Å; T147-K149 VanDerWaalsContact C-N 3.26Å; T147-K149 PolarHBondContact O-N 2.89Å; T147-N150 CarbonylContact O-C 3.56Å; T147-N150 PolarHBondContact O-N 3.37Å; T147-H151 WeakPolarHBondContact CG2-ND1 3.43Å; T147-H151 WeakPolarHBondContact O-CA 3.36Å; T147-H151 PolarHBondContact O-N 2.84Å; T147-N155 HydrophobicContact CG2-CB 4.2Å; T147-N155 PolarHBondContact OG1-O 3.15Å; T147-L159 HydrophobicContact CG2-CB 4.48Å; T147-L159 HydrophobicContact CG2-CD2 3.87Å; T147-P170 HydrophobicContact CG2-CG 4.15Å
148	K	91.8	Very high	92.4	Very high	93 Å²	93	57.3 Å²	57.3	40%	0.404	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-32	174.7	-79.3	-177.8	174.8	-177.2	0	113.3	L144 H168 P170	L144-K148 HydrophobicContact CD1-CD 4.45Å; L144-K148 HydrophobicContact CD1-CG 4.4Å; L144-K148 HydrophobicContact CG-CD 4.38Å; L144-K148 WeakPolarHBondContact O-CB 3.47Å; L144-K148 WeakPolarHBondContact O-CG 3.31Å; L144-K148 PolarHBondContact O-N 3.37Å; K148-H168 WeakPolarHBondContact CE-O 3.29Å; K148-H168 PolarHBondContact NZ-O 3.27Å; K148-P170 HydrophobicContact CG-CG 3.98Å
149	K	90.7	Very high	92.3	Very high	133 Å²	133	55.6 Å²	55.6	58%	0.578	27%	0.274	S	S	*	.	H	α-helix	trans	-77.5	-45.6	176.2	-72.9	173.5	179.3	-174.7	0	111.4	E145 E146 T147	E145-K149 VanDerWaalsContact O-CG 3.3Å; E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 2.97Å; E145-K149 VanDerWaalsContact O-N 3.17Å; E146-K149 PolarHBondContact O-N 3.35Å; T147-K149 VanDerWaalsContact C-N 3.26Å; T147-K149 PolarHBondContact O-N 2.89Å
150	N	91.1	Very high	92.2	Very high	107 Å²	107	52.6 Å²	52.6	57%	0.572	26%	0.258	S	S	*	.			trans	-133.9	95.7	-176	-70	-19.2	0	0	0	109.9	E146 T147 T152 N155	E146-N150 PolarHBondContact O-N 3.39Å; T147-N150 CarbonylContact O-C 3.56Å; T147-N150 PolarHBondContact O-N 3.37Å; N150-T152 VanDerWaalsContact C-N 3.29Å; N150-T152 PolarHBondContact O-N 3.22Å; N150-N155 PolarHBondContact O-ND2 3.37Å
151	H	88.9	Confident	92.1	Very high	77 Å²	77	53.5 Å²	53.5	36%	0.356	26%	0.264	S	S	.	.			trans	-82.3	69.5	-178.5	-161.3	65.1	0	0	0	111.8	T147 A171 D172	T147-H151 WeakPolarHBondContact CG2-ND1 3.43Å; T147-H151 WeakPolarHBondContact O-CA 3.36Å; T147-H151 PolarHBondContact O-N 2.84Å; H151-A171 PolarHBondContact NE2-O 3.14Å; H151-D172 IonicContact CE1-OD1 3.54Å; H151-D172 PolarHBondContact CE1-OD1 3.02Å; H151-D172 IonicContact NE2-OD1 2.76Å; H151-D172 PolarHBondContact NE2-OD1 3.24Å
152	T	90.6	Very high	92	Very high	53 Å²	53	53.8 Å²	53.8	33%	0.325	27%	0.266	S	S	.	.			trans	-90.7	157.3	174.5	74	0	0	0	0	111.5	N150 E154 N155 K156	N150-T152 VanDerWaalsContact C-N 3.29Å; N150-T152 PolarHBondContact O-N 3.22Å; T152-E154 VanDerWaalsContact CB-OE2 3.26Å; T152-E154 WeakPolarHBondContact CB-OE2 3.45Å; T152-E154 PolarHBondContact O-N 3.19Å; T152-E154 PolarHBondContact OG1-OE2 3Å; T152-N155 PolarHBondContact O-N 3.48Å; T152-N155 VanDerWaalsContact O-N 3.16Å; T152-N155 PolarHBondContact OG1-N 3.45Å; T152-K156 WeakPolarHBondContact O-CB 3.3Å; T152-K156 PolarHBondContact O-N 3.41Å
153	P	88.6	Confident	92	Very high	99 Å²	99	52 Å²	52	64%	0.643	25%	0.253	S	S	*	.	H	α-helix	trans	-53.5	-36.2	174.6	-27.2	36.2	0	0	0	113.6	K157	P153-K157 WeakPolarHBondContact O-CB 3.46Å; P153-K157 PolarHBondContact O-N 3.01Å
154	E	89.9	Confident	92	Very high	118 Å²	118	51.8 Å²	51.8	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-68.6	-42.8	179	-58.6	70.9	-151.5	0	0	111.7	T152 K157 K158	T152-E154 VanDerWaalsContact CB-OE2 3.26Å; T152-E154 WeakPolarHBondContact CB-OE2 3.45Å; T152-E154 PolarHBondContact O-N 3.19Å; T152-E154 PolarHBondContact OG1-OE2 3Å; E154-K157 WeakPolarHBondContact O-CB 3.47Å; E154-K157 PolarHBondContact O-N 2.97Å; E154-K158 WeakPolarHBondContact O-CG 3.49Å; E154-K158 PolarHBondContact O-N 2.92Å; E154-K158 VanDerWaalsContact O-N 3.13Å
155	N	91.8	Very high	91.9	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-68.6	-40.8	177.4	-76.8	-13.3	0	0	0	111.2	T147 N150 T152 K157 K158 L159	T147-N155 HydrophobicContact CG2-CB 4.2Å; T147-N155 PolarHBondContact OG1-O 3.15Å; N150-N155 PolarHBondContact O-ND2 3.37Å; T152-N155 PolarHBondContact O-N 3.48Å; T152-N155 VanDerWaalsContact O-N 3.16Å; T152-N155 PolarHBondContact OG1-N 3.45Å; N155-K157 VanDerWaalsContact C-N 3.31Å; N155-K157 PolarHBondContact O-N 3.15Å; N155-K158 WeakPolarHBondContact O-CB 3.47Å; N155-K158 PolarHBondContact O-N 3.33Å; N155-K158 VanDerWaalsContact O-N 3.16Å; N155-K158 PolarHBondContact OD1-NZ 3.35Å; N155-L159 PolarHBondContact O-N 3.47Å
156	K	91.3	Very high	91.9	Very high	23 Å²	23	53.4 Å²	53.4	10%	0.1	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-43.6	171.8	-175.9	176.7	-177.5	176.1	0	111.6	T152 K158 L159 R160 D172 N261	T152-K156 WeakPolarHBondContact O-CB 3.3Å; T152-K156 PolarHBondContact O-N 3.41Å; K156-K158 VanDerWaalsContact C-N 3.31Å; K156-K158 PolarHBondContact O-N 2.68Å; K156-L159 PolarHBondContact O-N 2.95Å; K156-L159 VanDerWaalsContact O-N 3.14Å; K156-R160 HydrophobicContact CG-CG 4.49Å; K156-R160 VanDerWaalsContact O-CG 3.28Å; K156-R160 WeakPolarHBondContact O-CG 3.43Å; K156-R160 PolarHBondContact O-N 3.34Å; K156-D172 VanDerWaalsContact CD-OD1 3.31Å; K156-D172 WeakPolarHBondContact CD-OD1 3.24Å; K156-D172 WeakPolarHBondContact CE-OD1 3.34Å; K156-D172 IonicContact NZ-OD1 3.62Å; K156-D172 PolarHBondContact NZ-OD1 3.27Å; K156-D172 IonicContact NZ-OD2 2.71Å; K156-N261 WeakPolarHBondContact CE-OD1 3.42Å; K156-N261 PolarHBondContact NZ-OD1 2.95Å
157	K	90.8	Very high	91.9	Very high	79 Å²	79	53 Å²	53	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-58.9	-40.6	176.2	-169.9	-179	-175.6	-178.6	0	112.2	E46 P153 E154 N155	E46-K157 IonicContact OE1-NZ 2.63Å; E46-K157 PolarHBondContact OE1-NZ 3.24Å; P153-K157 WeakPolarHBondContact O-CB 3.46Å; P153-K157 PolarHBondContact O-N 3.01Å; E154-K157 WeakPolarHBondContact O-CB 3.47Å; E154-K157 PolarHBondContact O-N 2.97Å; N155-K157 VanDerWaalsContact C-N 3.31Å; N155-K157 PolarHBondContact O-N 3.15Å
158	K	92.1	Very high	91.9	Very high	95 Å²	95	55.7 Å²	55.7	41%	0.413	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-42.3	173.8	-64.2	170.7	-171.3	163.9	0	112	V143 E154 N155 K156 R160 C161 F162	V143-K158 HydrophobicContact CG1-CB 3.79Å; E154-K158 WeakPolarHBondContact O-CG 3.49Å; E154-K158 PolarHBondContact O-N 2.92Å; E154-K158 VanDerWaalsContact O-N 3.13Å; N155-K158 WeakPolarHBondContact O-CB 3.47Å; N155-K158 PolarHBondContact O-N 3.33Å; N155-K158 VanDerWaalsContact O-N 3.16Å; N155-K158 PolarHBondContact OD1-NZ 3.35Å; K156-K158 VanDerWaalsContact C-N 3.31Å; K156-K158 PolarHBondContact O-N 2.68Å; K158-R160 VanDerWaalsContact C-N 3.32Å; K158-R160 PolarHBondContact O-N 3.42Å; K158-C161 WeakPolarHBondContact O-CB 3.31Å; K158-C161 PolarHBondContact O-N 3.09Å; K158-F162 WeakPolarHBondContact O-CE2 3.25Å
159	L	93.7	Very high	92.1	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-35.9	-178.8	-174.5	61.9	0	0	0	112.2	V143 L144 T147 N155 K156 C161 F162 F164 W169 P170	V143-L159 HydrophobicContact CG1-CB 4.23Å; V143-L159 HydrophobicContact CG1-CD1 4.3Å; L144-L159 HydrophobicContact CB-CD1 4.19Å; L144-L159 HydrophobicContact CD1-CD1 3.98Å; L144-L159 HydrophobicContact CD1-CD2 4.16Å; T147-L159 HydrophobicContact CG2-CB 4.48Å; T147-L159 HydrophobicContact CG2-CD2 3.87Å; N155-L159 PolarHBondContact O-N 3.47Å; K156-L159 PolarHBondContact O-N 2.95Å; K156-L159 VanDerWaalsContact O-N 3.14Å; L159-C161 PolarHBondContact O-N 2.96Å; L159-C161 VanDerWaalsContact O-N 3.09Å; L159-F162 PolarHBondContact O-N 3.35Å; L159-F164 HydrophobicContact CD1-CE1 3.59Å; L159-F164 HydrophobicContact CD1-CZ 3.79Å; L159-F164 HydrophobicContact CD2-CZ 4.15Å; L159-F164 HydrophobicContact CG-CE1 4Å; L159-F164 HydrophobicContact CG-CZ 4.12Å; L159-W169 HydrophobicContact CG-CZ3 4.44Å; L159-P170 HydrophobicContact CD2-CG 4.14Å
160	R	91.6	Very high	92.3	Very high	50 Å²	50	46.3 Å²	46.3	19%	0.189	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.7	176.2	-75.3	171.1	175.2	-177.3	-3.9	114.3	K156 K158 F162 W169 E259	K156-R160 HydrophobicContact CG-CG 4.49Å; K156-R160 VanDerWaalsContact O-CG 3.28Å; K156-R160 WeakPolarHBondContact O-CG 3.43Å; K156-R160 PolarHBondContact O-N 3.34Å; K158-R160 VanDerWaalsContact C-N 3.32Å; K158-R160 PolarHBondContact O-N 3.42Å; R160-F162 PolarHBondContact O-N 2.95Å; R160-W169 HydrophobicContact CG-CH2 4.17Å; R160-W169 HydrophobicContact CG-CZ2 4.35Å; R160-E259 VanDerWaalsContact CZ-CD 3.47Å; R160-E259 IonicContact CZ-OE1 3.79Å; R160-E259 IonicContact CZ-OE2 2.92Å; R160-E259 VanDerWaalsContact CZ-OE2 3.23Å; R160-E259 IonicContact NH1-OE1 3.32Å; R160-E259 PolarHBondContact NH1-OE1 3.17Å; R160-E259 IonicContact NH1-OE2 3.81Å; R160-E259 PolarHBondContact NH1-OE2 3.42Å; R160-E259 IonicContact NH2-OE1 3.2Å; R160-E259 IonicContact NH2-OE2 2.73Å; R160-E259 PolarHBondContact NH2-OE2 3.48Å
161	C	91.8	Very high	92.5	Very high	19 Å²	19	43.6 Å²	43.6	13%	0.128	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-4.4	172.3	-60.6	0	0	0	0	113.1	I41 H42 K158 L159	I41-C161 CarbonylContact C-O 3.58Å; I41-C161 WeakPolarHBondContact CA-O 3.43Å; H42-C161 PolarHBondContact N-O 3.34Å; K158-C161 WeakPolarHBondContact O-CB 3.31Å; K158-C161 PolarHBondContact O-N 3.09Å; L159-C161 PolarHBondContact O-N 2.96Å; L159-C161 VanDerWaalsContact O-N 3.09Å
162	F	94	Very high	92.8	Very high	9 Å²	9	40.3 Å²	40.3	4%	0.039	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.5	-176.7	-55.5	-81.1	0	0	0	111	L38 I41 H139 F140 V143 K158 L159 R160 F164	L38-F162 HydrophobicContact CD1-CB 3.88Å; L38-F162 HydrophobicContact CD1-CD1 3.96Å; L38-F162 HydrophobicContact CD1-CG 4.36Å; I41-F162 HydrophobicContact CD1-CE1 4.33Å; I41-F162 HydrophobicContact CG1-CD1 4.06Å; I41-F162 HydrophobicContact CG1-CE1 4.27Å; I41-F162 HydrophobicContact CG2-CD1 4.32Å; I41-F162 HydrophobicContact CG2-CE1 4.13Å; H139-F162 AromaticContact CD2-CZ 3.66Å; H139-F162 AromaticContact NE2-CZ 3.94Å; F140-F162 HydrophobicContact CB-CD1 3.85Å; F140-F162 HydrophobicContact CB-CE1 3.87Å; F140-F162 HydrophobicContact CB-CG 4.33Å; F140-F162 HydrophobicContact CB-CZ 4.37Å; F140-F162 HydrophobicContact CD2-CB 3.78Å; F140-F162 HydrophobicContact CD2-CD1 4.06Å; F140-F162 HydrophobicContact CD2-CD2 4.2Å; F140-F162 AromaticContact CD2-CG 3.75Å; F140-F162 HydrophobicContact CD2-CG 3.75Å; F140-F162 HydrophobicContact CE2-CB 4.21Å; F140-F162 HydrophobicContact CG-CD1 4.32Å; F140-F162 HydrophobicContact CG-CG 4.45Å; V143-F162 HydrophobicContact CB-CE2 4.28Å; V143-F162 HydrophobicContact CG1-CE2 4.25Å; V143-F162 HydrophobicContact CG2-CE2 4.25Å; K158-F162 WeakPolarHBondContact O-CE2 3.25Å; L159-F162 PolarHBondContact O-N 3.35Å; R160-F162 PolarHBondContact O-N 2.95Å; F162-F164 HydrophobicContact CB-CD1 4.06Å; F162-F164 HydrophobicContact CB-CE1 4.44Å; F162-F164 WeakPolarHBondContact O-CD1 3.2Å
163	D	93.5	Very high	93.1	Very high	8 Å²	8	38 Å²	38	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.7	167.1	-175.7	32.8	0	0	0	110	L38 Q39 R40 L249 R260	L38-D163 WeakPolarHBondContact CD1-O 3.17Å; Q39-D163 PolarHBondContact N-O 3Å; Q39-D163 PolarHBondContact OE1-OD1 2.78Å; Q39-D163 PolarHBondContact OE1-OD2 2.93Å; R40-D163 HydrophobicContact CB-CB 4.06Å; R40-D163 PolarHBondContact N-O 3.26Å; R40-D163 PolarHBondContact O-N 3.13Å; D163-L249 WeakPolarHBondContact OD1-CD2 2.61Å; D163-R260 IonicContact OD1-NH1 3.75Å; D163-R260 PolarHBondContact OD1-NH1 3.45Å
164	F	94.6	Very high	93.4	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	174.3	-172.6	60.5	-87.3	0	0	0	110.9	P36 H37 L38 F140 L144 L159 F162 F166 H168 W169	P36-F164 HydrophobicContact CB-CB 4.48Å; P36-F164 HydrophobicContact CB-CD2 4.08Å; P36-F164 HydrophobicContact CG-CD2 4.01Å; H37-F164 WeakPolarHBondContact O-CA 3.33Å; H37-F164 VanDerWaalsContact O-CB 3.3Å; H37-F164 WeakPolarHBondContact O-CB 2.87Å; L38-F164 HydrophobicContact CD1-CB 4.41Å; F140-F164 HydrophobicContact CD2-CD1 4.39Å; F140-F164 HydrophobicContact CE2-CB 4.05Å; F140-F164 AromaticContact CE2-CD1 3.41Å; F140-F164 HydrophobicContact CE2-CD1 3.41Å; F140-F164 VanDerWaalsContact CE2-CD1 3.41Å; F140-F164 HydrophobicContact CE2-CD2 4.2Å; F140-F164 AromaticContact CE2-CE1 3.84Å; F140-F164 HydrophobicContact CE2-CE1 3.84Å; F140-F164 AromaticContact CE2-CG 3.62Å; F140-F164 HydrophobicContact CE2-CG 3.62Å; F140-F164 HydrophobicContact CE2-CZ 4.38Å; F140-F164 HydrophobicContact CZ-CB 3.71Å; F140-F164 AromaticContact CZ-CD1 3.91Å; F140-F164 HydrophobicContact CZ-CD1 3.91Å; F140-F164 AromaticContact CZ-CD2 3.96Å; F140-F164 HydrophobicContact CZ-CD2 3.96Å; F140-F164 AromaticContact CZ-CG 3.58Å; F140-F164 HydrophobicContact CZ-CG 3.58Å; L144-F164 HydrophobicContact CD1-CE2 4.01Å; L144-F164 HydrophobicContact CD1-CZ 3.88Å; L144-F164 HydrophobicContact CD2-CE2 4.37Å; L159-F164 HydrophobicContact CD1-CE1 3.59Å; L159-F164 HydrophobicContact CD1-CZ 3.79Å; L159-F164 HydrophobicContact CD2-CZ 4.15Å; L159-F164 HydrophobicContact CG-CE1 4Å; L159-F164 HydrophobicContact CG-CZ 4.12Å; F162-F164 HydrophobicContact CB-CD1 4.06Å; F162-F164 HydrophobicContact CB-CE1 4.44Å; F162-F164 WeakPolarHBondContact O-CD1 3.2Å; F164-F166 PolarHBondContact O-N 3.22Å; F164-H168 HydrophobicContact CD2-CB 4.33Å; F164-H168 HydrophobicContact CE2-CB 4.09Å; F164-W169 HydrophobicContact CD1-CE3 4.43Å; F164-W169 HydrophobicContact CD1-CZ3 4.47Å; F164-W169 AromaticContact CE1-CE3 3.5Å; F164-W169 HydrophobicContact CE1-CE3 3.5Å; F164-W169 VanDerWaalsContact CE1-CE3 3.5Å; F164-W169 AromaticContact CE1-CZ3 3.6Å; F164-W169 HydrophobicContact CE1-CZ3 3.6Å; F164-W169 HydrophobicContact CE2-CB 4.33Å; F164-W169 HydrophobicContact CE2-CE3 4.12Å; F164-W169 HydrophobicContact CZ-CB 4.39Å; F164-W169 HydrophobicContact CZ-CD2 4.12Å; F164-W169 AromaticContact CZ-CE3 3.31Å; F164-W169 HydrophobicContact CZ-CE3 3.31Å; F164-W169 AromaticContact CZ-CZ3 3.91Å; F164-W169 HydrophobicContact CZ-CZ3 3.91Å
165	D	92.9	Very high	93.5	Very high	45 Å²	45	30.2 Å²	30.2	24%	0.241	16%	0.159	C	C	.	.			trans	-52.5	111.8	179.6	-63.5	-32.9	0	0	0	112.3	P36 H37 S167 H168 R242	P36-D165 HydrophobicContact CB-CB 3.87Å; H37-D165 WeakPolarHBondContact CB-OD2 3.41Å; H37-D165 PolarHBondContact N-OD2 2.94Å; H37-D165 PolarHBondContact O-N 3.27Å; H37-D165 VanDerWaalsContact O-N 3.16Å; D165-S167 PolarHBondContact O-N 2.71Å; D165-S167 VanDerWaalsContact O-N 3.07Å; D165-H168 PolarHBondContact O-N 3.42Å; D165-R242 IonicContact OD1-NH2 2.86Å; D165-R242 PolarHBondContact OD1-NH2 2.94Å
166	F	93.8	Very high	93.4	Very high	11 Å²	11	34.8 Å²	34.8	5%	0.048	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59.7	-25.8	-171	-173.5	-103	0	0	0	114.1	F164 H168 W169 R260 K262 D272 G325	F164-F166 PolarHBondContact O-N 3.22Å; F166-H168 PolarHBondContact O-N 3.45Å; F166-W169 HydrophobicContact CD2-CB 3.95Å; F166-W169 HydrophobicContact CD2-CG 4.21Å; F166-W169 HydrophobicContact CE2-CB 4.2Å; F166-W169 HydrophobicContact CE2-CG 4.13Å; F166-W169 HydrophobicContact CG-CB 4.47Å; F166-W169 WeakPolarHBondContact O-CB 3.38Å; F166-W169 PolarHBondContact O-N 3.41Å; F166-R260 HydrophobicContact CE2-CG 4.49Å; F166-K262 HydrophobicContact CE1-CB 4.25Å; F166-K262 HydrophobicContact CE1-CD 4.32Å; F166-K262 HydrophobicContact CE1-CG 4.05Å; F166-K262 HydrophobicContact CE2-CB 4.04Å; F166-K262 HydrophobicContact CZ-CB 3.51Å; F166-K262 HydrophobicContact CZ-CD 4.36Å; F166-K262 HydrophobicContact CZ-CG 3.81Å; F166-K262 VanDerWaalsContact O-CE 3.29Å; F166-K262 WeakPolarHBondContact O-CE 3.47Å; F166-K262 PolarHBondContact O-NZ 2.93Å; F166-D272 HydrophobicContact CD1-CB 4.25Å; F166-D272 HydrophobicContact CE1-CB 3.67Å; F166-D272 HydrophobicContact CE2-CB 4.17Å; F166-D272 HydrophobicContact CZ-CB 3.62Å; F166-G325 WeakPolarHBondContact CD1-O 3.39Å
167	S	92.6	Very high	93.3	Very high	81 Å²	81	38.9 Å²	38.9	57%	0.566	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-55.4	-23.2	173.5	59.1	0	0	0	0	113.6	D165	D165-S167 PolarHBondContact O-N 2.71Å; D165-S167 VanDerWaalsContact O-N 3.07Å
168	H	94.3	Very high	93.1	Very high	57 Å²	57	37.9 Å²	37.9	26%	0.264	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-95	-8.1	178.1	-67.2	69.8	0	0	0	113.8	P36 L144 K148 F164 D165 F166	P36-H168 HydrophobicContact CB-CB 3.97Å; P36-H168 HydrophobicContact CG-CB 3.96Å; L144-H168 HydrophobicContact CD2-CB 4.3Å; K148-H168 WeakPolarHBondContact CE-O 3.29Å; K148-H168 PolarHBondContact NZ-O 3.27Å; F164-H168 HydrophobicContact CD2-CB 4.33Å; F164-H168 HydrophobicContact CE2-CB 4.09Å; D165-H168 PolarHBondContact O-N 3.42Å; F166-H168 PolarHBondContact O-N 3.45Å
169	W	94.7	Very high	92.2	Very high	10 Å²	10	34.5 Å²	34.5	4%	0.038	20%	0.196	C	C	.	.	S	Bend	trans	-65.7	129.1	179	-168.4	-81.8	0	0	0	110	L159 R160 F164 F166 D172 K262	L159-W169 HydrophobicContact CG-CZ3 4.44Å; R160-W169 HydrophobicContact CG-CH2 4.17Å; R160-W169 HydrophobicContact CG-CZ2 4.35Å; F164-W169 HydrophobicContact CD1-CE3 4.43Å; F164-W169 HydrophobicContact CD1-CZ3 4.47Å; F164-W169 AromaticContact CE1-CE3 3.5Å; F164-W169 HydrophobicContact CE1-CE3 3.5Å; F164-W169 VanDerWaalsContact CE1-CE3 3.5Å; F164-W169 AromaticContact CE1-CZ3 3.6Å; F164-W169 HydrophobicContact CE1-CZ3 3.6Å; F164-W169 HydrophobicContact CE2-CB 4.33Å; F164-W169 HydrophobicContact CE2-CE3 4.12Å; F164-W169 HydrophobicContact CZ-CB 4.39Å; F164-W169 HydrophobicContact CZ-CD2 4.12Å; F164-W169 AromaticContact CZ-CE3 3.31Å; F164-W169 HydrophobicContact CZ-CE3 3.31Å; F164-W169 AromaticContact CZ-CZ3 3.91Å; F164-W169 HydrophobicContact CZ-CZ3 3.91Å; F166-W169 HydrophobicContact CD2-CB 3.95Å; F166-W169 HydrophobicContact CD2-CG 4.21Å; F166-W169 HydrophobicContact CE2-CB 4.2Å; F166-W169 HydrophobicContact CE2-CG 4.13Å; F166-W169 HydrophobicContact CG-CB 4.47Å; F166-W169 WeakPolarHBondContact O-CB 3.38Å; F166-W169 PolarHBondContact O-N 3.41Å; W169-D172 PolarHBondContact NE1-OD2 3.2Å; W169-K262 WeakPolarHBondContact O-CD 3.4Å; W169-K262 WeakPolarHBondContact O-CE 3.42Å; W169-K262 PolarHBondContact O-NZ 2.77Å
170	P	95.2	Very high	90.6	Very high	18 Å²	18	39.5 Å²	39.5	12%	0.117	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-65.2	145.7	177.6	-20.2	32.9	0	0	0	112.3	T147 K148 L159 D172	T147-P170 HydrophobicContact CG2-CG 4.15Å; K148-P170 HydrophobicContact CG-CG 3.98Å; L159-P170 HydrophobicContact CD2-CG 4.14Å; P170-D172 PolarHBondContact O-N 3.17Å
171	A	95.6	Very high	88.9	Confident	50 Å²	50	43 Å²	43	41%	0.413	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-62.4	133.3	175.8	0	0	0	0	0	111.2	H151 V264	H151-A171 PolarHBondContact NE2-O 3.14Å; A171-V264 HydrophobicContact CB-CG2 3.71Å
172	D	95.9	Very high	86.8	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.043	29%	0.285	C	S	.	.	S	Bend	trans	-99.7	-24.7	-178	-72.2	-60.6	0	0	0	113.6	H151 K156 W169 P170 N261 K262	H151-D172 IonicContact CE1-OD1 3.54Å; H151-D172 PolarHBondContact CE1-OD1 3.02Å; H151-D172 IonicContact NE2-OD1 2.76Å; H151-D172 PolarHBondContact NE2-OD1 3.24Å; K156-D172 VanDerWaalsContact CD-OD1 3.31Å; K156-D172 WeakPolarHBondContact CD-OD1 3.24Å; K156-D172 WeakPolarHBondContact CE-OD1 3.34Å; K156-D172 IonicContact NZ-OD1 3.62Å; K156-D172 PolarHBondContact NZ-OD1 3.27Å; K156-D172 IonicContact NZ-OD2 2.71Å; W169-D172 PolarHBondContact NE1-OD2 3.2Å; P170-D172 PolarHBondContact O-N 3.17Å; D172-N261 HydrophobicContact CB-CB 4.06Å; D172-N261 VanDerWaalsContact OD2-CA 3.25Å; D172-N261 WeakPolarHBondContact OD2-CA 3.17Å; D172-K262 WeakPolarHBondContact CB-O 3.49Å; D172-K262 PolarHBondContact N-O 3.33Å; D172-K262 PolarHBondContact OD2-N 3.14Å
173	F	96.4	Very high	84.9	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	143	175.4	-178.4	-104.3	0	0	0	109.6	E177 V178 K262 L263 V264 V341 Q344 F345 H348 K349	F173-E177 VanDerWaalsContact CA-OE1 3.26Å; F173-E177 WeakPolarHBondContact CA-OE1 3.38Å; F173-E177 HydrophobicContact CE2-CB 4.21Å; F173-V178 HydrophobicContact CE2-CG2 3.97Å; F173-V178 HydrophobicContact CZ-CG2 3.64Å; F173-K262 PolarHBondContact N-O 3.14Å; F173-L263 HydrophobicContact CB-CD2 3.79Å; F173-L263 CarbonylContact O-C 3.59Å; F173-L263 WeakPolarHBondContact O-CA 3.43Å; F173-V264 PolarHBondContact O-N 2.98Å; F173-V341 HydrophobicContact CD1-CG2 3.8Å; F173-V341 HydrophobicContact CE1-CG2 3.91Å; F173-Q344 HydrophobicContact CE1-CB 3.82Å; F173-Q344 HydrophobicContact CZ-CB 3.97Å; F173-F345 HydrophobicContact CB-CD2 3.54Å; F173-F345 HydrophobicContact CB-CE2 4.07Å; F173-F345 HydrophobicContact CB-CG 4.48Å; F173-F345 HydrophobicContact CD1-CB 3.77Å; F173-F345 HydrophobicContact CD1-CD2 4.11Å; F173-F345 HydrophobicContact CD1-CG 4.42Å; F173-F345 HydrophobicContact CD2-CD2 4.29Å; F173-F345 HydrophobicContact CE1-CB 4.07Å; F173-F345 HydrophobicContact CG-CB 4.27Å; F173-F345 AromaticContact CG-CD2 3.74Å; F173-F345 HydrophobicContact CG-CD2 3.74Å; F173-F345 HydrophobicContact CG-CG 4.48Å; F173-H348 HydrophobicContact CE2-CB 4.46Å; F173-K349 HydrophobicContact CD2-CB 4.43Å
174	S	95.5	Very high	82.9	Confident	21 Å²	21	60.8 Å²	60.8	15%	0.147	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.6	171.8	-173.8	0	0	0	0	111.2	T176 E177	S174-T176 PolarHBondContact O-N 3.33Å; S174-T176 PolarHBondContact OG-N 2.68Å; S174-T176 PolarHBondContact OG-OG1 3.06Å; S174-E177 PolarHBondContact N-OE1 2.76Å; S174-E177 VanDerWaalsContact O-CB 3.3Å; S174-E177 WeakPolarHBondContact O-CB 3.47Å; S174-E177 WeakPolarHBondContact O-CG 3.33Å; S174-E177 PolarHBondContact O-N 2.82Å
175	W	90.9	Very high	81	Confident	34 Å²	34	71 Å²	71	13%	0.129	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-46.1	-33.3	168.7	173.7	-100.3	0	0	0	113.5	E177 V178 S179 V264 C266 D340 V341 Q344	W175-E177 PolarHBondContact O-N 2.85Å; W175-V178 PolarHBondContact O-N 3.01Å; W175-S179 VanDerWaalsContact CD2-OG 3.22Å; W175-S179 WeakPolarHBondContact CZ2-OG 3.47Å; W175-S179 PolarHBondContact NE1-OG 3.43Å; W175-S179 WeakPolarHBondContact O-CB 3.14Å; W175-S179 PolarHBondContact O-N 3.32Å; W175-S179 VanDerWaalsContact O-N 3.13Å; W175-S179 PolarHBondContact O-OG 2.91Å; W175-V264 PolarHBondContact N-O 3.21Å; W175-C266 HydrophobicContact CB-CB 4.42Å; W175-C266 VanDerWaalsContact CD1-CB 3.43Å; W175-C266 HydrophobicContact CD2-CB 4.15Å; W175-C266 HydrophobicContact CG-CB 3.74Å; W175-D340 WeakPolarHBondContact CH2-OD2 3.21Å; W175-D340 HydrophobicContact CZ3-CB 4.32Å; W175-D340 WeakPolarHBondContact CZ3-OD1 3.31Å; W175-D340 WeakPolarHBondContact CZ3-OD2 3.4Å; W175-V341 HydrophobicContact CB-CG2 4.32Å; W175-Q344 HydrophobicContact CE3-CG 4.16Å; W175-Q344 HydrophobicContact CZ3-CG 3.73Å; W175-Q344 VanDerWaalsContact CZ3-OE1 3.25Å
176	T	89.8	Confident	79.3	Confident	106 Å²	106	71.7 Å²	71.7	65%	0.65	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-70.1	-16.5	-179.5	59.5	0	0	0	0	114	S174 V178	S174-T176 PolarHBondContact O-N 3.33Å; S174-T176 PolarHBondContact OG-N 2.68Å; S174-T176 PolarHBondContact OG-OG1 3.06Å; T176-V178 PolarHBondContact O-N 3.23Å
177	E	90.4	Very high	78.4	Confident	110 Å²	110	72.2 Å²	72.2	51%	0.514	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-67.7	-26.3	178.2	-68.6	178.4	-136.9	0	0	112.4	F173 S174 W175	F173-E177 VanDerWaalsContact CA-OE1 3.26Å; F173-E177 WeakPolarHBondContact CA-OE1 3.38Å; F173-E177 HydrophobicContact CE2-CB 4.21Å; S174-E177 PolarHBondContact N-OE1 2.76Å; S174-E177 VanDerWaalsContact O-CB 3.3Å; S174-E177 WeakPolarHBondContact O-CB 3.47Å; S174-E177 WeakPolarHBondContact O-CG 3.33Å; S174-E177 PolarHBondContact O-N 2.82Å; W175-E177 PolarHBondContact O-N 2.85Å
178	V	86.2	Confident	77.9	Confident	57 Å²	57	69.2 Å²	69.2	35%	0.345	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-24.8	-176.1	-169.6	0	0	0	0	111.7	F173 W175 T176 H348	F173-V178 HydrophobicContact CE2-CG2 3.97Å; F173-V178 HydrophobicContact CZ-CG2 3.64Å; W175-V178 PolarHBondContact O-N 3.01Å; T176-V178 PolarHBondContact O-N 3.23Å; V178-H348 WeakPolarHBondContact CG1-NE2 3.29Å; V178-H348 HydrophobicContact CG2-CB 4.01Å
179	S	73.5	Confident	77.4	Confident	25 Å²	25	70.9 Å²	70.9	18%	0.175	41%	0.405	C	S	.	.			trans	-80.8	136.3	-169.4	-63.5	0	0	0	0	114.2	W175	W175-S179 VanDerWaalsContact CD2-OG 3.22Å; W175-S179 WeakPolarHBondContact CZ2-OG 3.47Å; W175-S179 PolarHBondContact NE1-OG 3.43Å; W175-S179 WeakPolarHBondContact O-CB 3.14Å; W175-S179 PolarHBondContact O-N 3.32Å; W175-S179 VanDerWaalsContact O-N 3.13Å; W175-S179 PolarHBondContact O-OG 2.91Å
180	N	60.1	Low	76.8	Confident	106 Å²	106	72.4 Å²	72.4	57%	0.567	41%	0.414	S	S	*	.			trans	-70.6	136	174.6	-147.1	-21.3	0	0	0	109.7	K182 H183	N180-K182 PolarHBondContact O-N 3.5Å; N180-H183 PolarHBondContact O-N 3.15Å
181	P	54.5	Low	75.9	Confident	124 Å²	124	73.3 Å²	73.3	81%	0.805	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-4.3	-174.8	-25.3	34.2	0	0	0	116.3
182	K	48.6	Very low	74.6	Confident	189 Å²	189	79.2 Å²	79.2	82%	0.822	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-6.3	-178.1	-63.2	-175.3	-179.1	179.4	0	114.1	N180	N180-K182 PolarHBondContact O-N 3.5Å
183	H	53.6	Low	72.9	Confident	121 Å²	121	82.5 Å²	82.5	56%	0.56	46%	0.456	S	S	*	.	S	Bend	trans	-68.8	132.4	174	-77.5	-78.6	0	0	0	110.5	N180	N180-H183 PolarHBondContact O-N 3.15Å
184	P	52	Low	70.6	Confident	98 Å²	98	90.7 Å²	90.7	64%	0.636	49%	0.494	S	S	*	.			trans	-62.9	141.9	-177.2	23.8	-31.1	0	0	0	110.6	G186	P184-G186 PolarHBondContact O-N 3.32Å
185	K	55.5	Low	68.2	Low	215 Å²	215	95.7 Å²	95.7	94%	0.935	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	4.8	175.5	-62.5	-177.3	177.6	-178.7	0	114.5
186	G	57.1	Low	66	Low	61 Å²	61	103.8 Å²	103.8	63%	0.629	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	3.4	-174.4	0	0	0	0	0	115.2	P184	P184-G186 PolarHBondContact O-N 3.32Å
187	G	73	Confident	63.5	Low	21 Å²	21	107.6 Å²	107.6	22%	0.216	57%	0.572	C	S	.	*			trans	87.7	179	-175.9	0	0	0	0	0	113.3	N337	G187-N337 WeakPolarHBondContact CA-OD1 3.29Å
188	V	82.4	Confident	61.5	Low	18 Å²	18	110.8 Å²	110.8	11%	0.109	58%	0.579	C	S	.	*	S	Bend	trans	-66.1	155.6	176.3	-59.3	0	0	0	0	111.9	L190 Q333 A336 N337 D340 W371	V188-L190 PolarHBondContact O-N 3.11Å; V188-L190 VanDerWaalsContact O-N 3.15Å; V188-Q333 PolarHBondContact O-NE2 3.22Å; V188-Q333 PolarHBondContact O-OE1 2.93Å; V188-A336 HydrophobicContact CG2-CB 3.45Å; V188-A336 VanDerWaalsContact CG2-CB 3.45Å; V188-N337 WeakPolarHBondContact CG2-OD1 3.45Å; V188-N337 PolarHBondContact N-OD1 3.02Å; V188-D340 HydrophobicContact CG1-CB 3.8Å; V188-D340 WeakPolarHBondContact CG1-OD2 3.46Å; V188-W371 HydrophobicContact CB-CH2 4.23Å; V188-W371 HydrophobicContact CB-CZ2 3.68Å; V188-W371 HydrophobicContact CG1-CH2 4.3Å; V188-W371 HydrophobicContact CG1-CZ2 4.24Å; V188-W371 HydrophobicContact CG2-CH2 3.88Å; V188-W371 HydrophobicContact CG2-CZ2 3.28Å
189	S	83.5	Confident	59.5	Low	92 Å²	92	110.8 Å²	110.8	64%	0.643	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-68.8	119	178.2	-167	0	0	0	0	110.6	W371	S189-W371 PolarHBondContact O-NE1 2.97Å
190	L	83.8	Confident	58.2	Low	42 Å²	42	116.4 Å²	116.4	22%	0.22	62%	0.624	C	S	.	*	P	Polyproline II helix	trans	-77.6	160.2	159.6	-66.9	180	0	0	0	110.4	V188 K192 P332 Q333 A336 F367	V188-L190 PolarHBondContact O-N 3.11Å; V188-L190 VanDerWaalsContact O-N 3.15Å; L190-K192 PolarHBondContact O-N 3.01Å; L190-P332 HydrophobicContact CD1-CB 4.09Å; L190-Q333 HydrophobicContact CD1-CB 4.04Å; L190-A336 HydrophobicContact CD2-CB 3.55Å; L190-F367 HydrophobicContact CD2-CZ 4.35Å
191	L	75	Confident	57.5	Low	37 Å²	37	116 Å²	116	19%	0.194	64%	0.636	C	S	.	*			trans	-66.3	115.9	167.2	-175.1	59	0	0	0	109	M374 E421 Q422	L191-M374 HydrophobicContact CB-CE 4.44Å; L191-M374 HydrophobicContact CB-SD 4.4Å; L191-E421 HydrophobicContact CD2-CB 3.56Å; L191-Q422 HydrophobicContact CB-CG 4.41Å; L191-Q422 HydrophobicContact CD2-CG 4.19Å
192	K	69.8	Low	57.3	Low	175 Å²	175	116.3 Å²	116.3	76%	0.761	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-71.1	131.8	175.3	-67.9	-177.6	-178.5	176.3	0	108.8	L190	L190-K192 PolarHBondContact O-N 3.01Å
193	P	59.2	Low	57.8	Low	77 Å²	77	109.7 Å²	109.7	50%	0.5	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-56.8	142.6	169.6	-19.1	29.6	0	0	0	110
194	E	47.8	Very low	58.2	Low	176 Å²	176	111.6 Å²	111.6	82%	0.822	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-55.9	132.4	174.5	-76.6	-171.7	162.5	0	0	110.6	R196	E194-R196 PolarHBondContact O-N 2.86Å
195	P	45.2	Very low	58.6	Low	126 Å²	126	113.8 Å²	113.8	82%	0.818	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-66.1	119.6	176.7	25.3	-30.4	0	0	0	109.1	L197	P195-L197 PolarHBondContact O-N 2.98Å
196	R	44.3	Very low	58.9	Low	203 Å²	203	108.5 Å²	108.5	77%	0.766	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-61.1	128.9	171	-62.5	-176.8	-170.9	176.5	3.6	109	E194 R198	E194-R196 PolarHBondContact O-N 2.86Å; R196-R198 PolarHBondContact O-N 3.21Å
197	L	38.4	Very low	59.1	Low	186 Å²	186	108.2 Å²	108.2	97%	0.974	59%	0.588	S	S	*	*			trans	-48.1	112.5	169.7	-80.4	142.8	0	0	0	109.4	P195	P195-L197 PolarHBondContact O-N 2.98Å
198	R	48.4	Very low	58.9	Low	177 Å²	177	111.2 Å²	111.2	67%	0.668	60%	0.602	S	S	*	*			trans	-111.4	121.4	-176.2	-118.6	-177.9	-174.4	176.1	3.1	110.3	R196	R196-R198 PolarHBondContact O-N 3.21Å
199	G	43.5	Very low	58.3	Low	57 Å²	57	120.7 Å²	120.7	59%	0.588	64%	0.635	S	S	*	*			trans	-69.5	137.1	163.4	0	0	0	0	0	110.7	A201	G199-A201 PolarHBondContact O-N 2.92Å
200	T	45.7	Very low	57.7	Low	143 Å²	143	117.8 Å²	117.8	88%	0.877	61%	0.614	S	S	*	*	S	Bend	trans	-74.7	-18.6	-165.7	36.1	0	0	0	0	115.5
201	A	45.3	Very low	57.5	Low	99 Å²	99	120.6 Å²	120.6	82%	0.818	63%	0.629	S	S	*	*	S	Bend	trans	-91.7	-23.4	-175	0	0	0	0	0	114.9	G199 S203	G199-A201 PolarHBondContact O-N 2.92Å; A201-S203 VanDerWaalsContact C-N 3.32Å; A201-S203 PolarHBondContact O-N 2.97Å
202	D	50.6	Low	57.8	Low	129 Å²	129	122.2 Å²	122.2	69%	0.69	64%	0.641	S	S	*	*	S	Bend	trans	-83.2	-4.3	-178.7	-87.8	-30.6	0	0	0	114.1	F204 H206	D202-F204 PolarHBondContact O-N 3.39Å; D202-H206 WeakPolarHBondContact O-CB 3.3Å; D202-H206 PolarHBondContact O-N 2.74Å
203	S	59.8	Low	58.3	Low	50 Å²	50	116.4 Å²	116.4	35%	0.35	62%	0.622	S	S	.	*	H	α-helix	trans	-70.9	-32.9	-162.9	-167.1	0	0	0	0	114.7	A201 S207	A201-S203 VanDerWaalsContact C-N 3.32Å; A201-S203 PolarHBondContact O-N 2.97Å; S203-S207 WeakPolarHBondContact O-CB 3.27Å; S203-S207 PolarHBondContact O-N 2.71Å
204	F	61.2	Low	59.4	Low	162 Å²	162	115.8 Å²	115.8	71%	0.711	61%	0.613	S	S	*	*	H	α-helix	trans	-84.7	-51.1	-174.4	-171.6	-102.5	0	0	0	112.8	D202 H206 S207 V208	D202-F204 PolarHBondContact O-N 3.39Å; F204-H206 VanDerWaalsContact C-N 3.31Å; F204-H206 PolarHBondContact O-N 2.89Å; F204-S207 WeakPolarHBondContact O-CB 3.14Å; F204-S207 PolarHBondContact O-N 2.88Å; F204-S207 VanDerWaalsContact O-N 3.07Å; F204-V208 HydrophobicContact CD1-CG2 4.47Å; F204-V208 HydrophobicContact CE1-CG2 4.12Å; F204-V208 HydrophobicContact CZ-CG2 4.19Å; F204-V208 PolarHBondContact O-N 3.46Å
205	L	60.6	Low	61.3	Low	143 Å²	143	111.1 Å²	111.1	75%	0.749	60%	0.596	S	S	*	*	H	α-helix	trans	-62	-39.3	177.5	-75.1	170.3	0	0	0	111.8	R209	L205-R209 VanDerWaalsContact O-CB 3.3Å; L205-R209 WeakPolarHBondContact O-CB 3.25Å; L205-R209 PolarHBondContact O-N 3.12Å
206	H	62.3	Low	63.3	Low	104 Å²	104	109 Å²	109	48%	0.481	58%	0.577	S	S	.	*	H	α-helix	trans	-66.2	-37.5	173.1	-171.7	-78.3	0	0	0	111.9	D202 F204 T210	D202-H206 WeakPolarHBondContact O-CB 3.3Å; D202-H206 PolarHBondContact O-N 2.74Å; F204-H206 VanDerWaalsContact C-N 3.31Å; F204-H206 PolarHBondContact O-N 2.89Å; H206-T210 WeakPolarHBondContact O-CB 3.41Å; H206-T210 WeakPolarHBondContact O-CG2 3.35Å; H206-T210 PolarHBondContact O-N 2.91Å; H206-T210 PolarHBondContact O-OG1 3.13Å
207	S	60.7	Low	65.3	Low	55 Å²	55	99.3 Å²	99.3	39%	0.385	54%	0.54	S	S	.	.	H	α-helix	trans	-67	-39.9	177.7	-166.2	0	0	0	0	112.5	S203 F204 T210 L211	S203-S207 WeakPolarHBondContact O-CB 3.27Å; S203-S207 PolarHBondContact O-N 2.71Å; F204-S207 WeakPolarHBondContact O-CB 3.14Å; F204-S207 PolarHBondContact O-N 2.88Å; F204-S207 VanDerWaalsContact O-N 3.07Å; S207-T210 PolarHBondContact O-OG1 3.37Å; S207-L211 PolarHBondContact O-N 2.89Å; S207-L211 VanDerWaalsContact O-N 3.15Å
208	V	69.6	Low	67.7	Low	85 Å²	85	94.9 Å²	94.9	52%	0.515	51%	0.513	S	S	.	.	H	α-helix	trans	-69.1	-43.3	175.7	177.8	0	0	0	0	110.9	F204 T210 L211	F204-V208 HydrophobicContact CD1-CG2 4.47Å; F204-V208 HydrophobicContact CE1-CG2 4.12Å; F204-V208 HydrophobicContact CZ-CG2 4.19Å; F204-V208 PolarHBondContact O-N 3.46Å; V208-T210 VanDerWaalsContact C-N 3.28Å; V208-T210 PolarHBondContact O-N 3.01Å; V208-L211 WeakPolarHBondContact O-CB 3.49Å; V208-L211 PolarHBondContact O-N 3.43Å
209	R	69.7	Low	69.7	Low	216 Å²	216	91.3 Å²	91.3	82%	0.815	51%	0.507	S	S	*	.	H	α-helix	trans	-64.8	-30.5	179	-172.8	176.1	177.1	177	-0.2	113.2	L205	L205-R209 VanDerWaalsContact O-CB 3.3Å; L205-R209 WeakPolarHBondContact O-CB 3.25Å; L205-R209 PolarHBondContact O-N 3.12Å
210	T	71.4	Confident	71.9	Confident	31 Å²	31	89.8 Å²	89.8	19%	0.19	49%	0.485	C	S	.	.	H	α-helix	trans	-91.2	-9.9	179.2	53.2	0	0	0	0	113.5	H206 S207 V208 P212 C213 H214	H206-T210 WeakPolarHBondContact O-CB 3.41Å; H206-T210 WeakPolarHBondContact O-CG2 3.35Å; H206-T210 PolarHBondContact O-N 2.91Å; H206-T210 PolarHBondContact O-OG1 3.13Å; S207-T210 PolarHBondContact O-OG1 3.37Å; V208-T210 VanDerWaalsContact C-N 3.28Å; V208-T210 PolarHBondContact O-N 3.01Å; T210-P212 VanDerWaalsContact C-CD 3.49Å; T210-C213 WeakPolarHBondContact O-CB 3.33Å; T210-C213 PolarHBondContact O-N 3.29Å; T210-H214 VanDerWaalsContact C-ND1 3.31Å; T210-H214 PolarHBondContact O-N 3.02Å; T210-H214 PolarHBondContact O-ND1 2.82Å; T210-H214 PolarHBondContact OG1-CE1 2.96Å
211	L	78.9	Confident	74.1	Confident	101 Å²	101	83 Å²	83	53%	0.529	44%	0.444	S	S	.	.	H	α-helix	trans	-54.6	-42.7	-179.3	-156.2	108.5	0	0	0	113.4	S207 V208 C213 H214 V215	S207-L211 PolarHBondContact O-N 2.89Å; S207-L211 VanDerWaalsContact O-N 3.15Å; V208-L211 WeakPolarHBondContact O-CB 3.49Å; V208-L211 PolarHBondContact O-N 3.43Å; L211-C213 VanDerWaalsContact C-N 3.32Å; L211-C213 PolarHBondContact O-N 2.79Å; L211-H214 WeakPolarHBondContact O-CB 3.45Å; L211-H214 PolarHBondContact O-N 3.01Å; L211-H214 VanDerWaalsContact O-N 3.16Å; L211-V215 WeakPolarHBondContact O-CG2 3.25Å; L211-V215 PolarHBondContact O-N 3.21Å
212	P	81.4	Confident	76.2	Confident	71 Å²	71	81.8 Å²	81.8	46%	0.461	42%	0.421	S	S	.	.	H	α-helix	trans	-60.2	-40.4	174.9	-23.8	35.4	0	0	0	112.7	T210 H214 V215 I216	T210-P212 VanDerWaalsContact C-CD 3.49Å; P212-H214 VanDerWaalsContact C-N 3.33Å; P212-H214 PolarHBondContact O-N 2.77Å; P212-V215 PolarHBondContact O-N 2.77Å; P212-I216 WeakPolarHBondContact O-CB 3.31Å; P212-I216 WeakPolarHBondContact O-CG1 3.26Å; P212-I216 PolarHBondContact O-N 2.99Å
213	C	80.1	Confident	77.9	Confident	54 Å²	54	77.6 Å²	77.6	37%	0.365	40%	0.402	S	S	.	.	H	α-helix	trans	-65.7	-35	176.5	-62.8	0	0	0	0	112.2	T210 L211 G217 H409	T210-C213 WeakPolarHBondContact O-CB 3.33Å; T210-C213 PolarHBondContact O-N 3.29Å; L211-C213 VanDerWaalsContact C-N 3.32Å; L211-C213 PolarHBondContact O-N 2.79Å; C213-G217 WeakPolarHBondContact O-CA 3.33Å; C213-G217 PolarHBondContact O-N 3.43Å; C213-H409 PolarHBondContact O-CD2 2.9Å
214	H	82.2	Confident	79.2	Confident	64 Å²	64	79 Å²	79	30%	0.296	40%	0.402	S	S	.	.	H	α-helix	trans	-66.1	-45.2	174.7	-68.7	90.8	0	0	0	111.5	T210 L211 P212 F218 H409 Y414	T210-H214 VanDerWaalsContact C-ND1 3.31Å; T210-H214 PolarHBondContact O-N 3.02Å; T210-H214 PolarHBondContact O-ND1 2.82Å; T210-H214 PolarHBondContact OG1-CE1 2.96Å; L211-H214 WeakPolarHBondContact O-CB 3.45Å; L211-H214 PolarHBondContact O-N 3.01Å; L211-H214 VanDerWaalsContact O-N 3.16Å; P212-H214 VanDerWaalsContact C-N 3.33Å; P212-H214 PolarHBondContact O-N 2.77Å; H214-F218 VanDerWaalsContact O-CB 3.24Å; H214-F218 WeakPolarHBondContact O-CB 3.4Å; H214-F218 PolarHBondContact O-N 2.93Å; H214-H409 AromaticContact CD2-CE1 3.34Å; H214-H409 PolarHBondContact CD2-CE1 2.85Å; H214-H409 AromaticContact CD2-NE2 3.39Å; H214-H409 PolarHBondContact CD2-NE2 2.83Å; H214-H409 AromaticContact CE1-CE1 3.82Å; H214-H409 AromaticContact CG-CE1 3.84Å; H214-H409 AromaticContact CG-NE2 3.61Å; H214-H409 AromaticContact NE2-CE1 3.33Å; H214-H409 PolarHBondContact NE2-CE1 3.27Å; H214-H409 VanDerWaalsContact NE2-CE1 3.33Å; H214-H409 AromaticContact NE2-NE2 3.88Å; H214-Y414 PolarHBondContact O-OH 2.88Å
215	V	87	Confident	80.6	Confident	78 Å²	78	72.3 Å²	72.3	47%	0.473	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-48.5	178.2	175	0	0	0	0	110.7	L211 P212 F218 L219	L211-V215 WeakPolarHBondContact O-CG2 3.25Å; L211-V215 PolarHBondContact O-N 3.21Å; P212-V215 PolarHBondContact O-N 2.77Å; V215-F218 WeakPolarHBondContact O-CB 3.47Å; V215-F218 PolarHBondContact O-N 2.66Å; V215-L219 HydrophobicContact CG1-CD1 4.22Å; V215-L219 VanDerWaalsContact O-CG 3.31Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 2.86Å
216	I	87.3	Confident	82.2	Confident	80 Å²	80	66.7 Å²	66.7	41%	0.41	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-45.3	178.6	-65.4	167.1	0	0	0	110.1	P212 F218 L219 I220 L406	P212-I216 WeakPolarHBondContact O-CB 3.31Å; P212-I216 WeakPolarHBondContact O-CG1 3.26Å; P212-I216 PolarHBondContact O-N 2.99Å; I216-F218 VanDerWaalsContact C-N 3.33Å; I216-F218 PolarHBondContact O-N 3.44Å; I216-L219 PolarHBondContact O-N 2.76Å; I216-I220 HydrophobicContact CG2-CD1 3.75Å; I216-I220 HydrophobicContact CG2-CG1 4.28Å; I216-I220 VanDerWaalsContact O-CG1 3.29Å; I216-I220 WeakPolarHBondContact O-CG1 3.28Å; I216-I220 PolarHBondContact O-N 2.98Å; I216-L406 HydrophobicContact CB-CD1 4.29Å; I216-L406 HydrophobicContact CG2-CD1 3.93Å; I216-L406 HydrophobicContact CG2-CD2 3.82Å; I216-L406 HydrophobicContact CG2-CG 4.49Å
217	G	87	Confident	83.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.7	-42	177	0	0	0	0	0	112.3	C213 I220 A221 T410	C213-G217 WeakPolarHBondContact O-CA 3.33Å; C213-G217 PolarHBondContact O-N 3.43Å; G217-I220 PolarHBondContact O-N 3.35Å; G217-A221 WeakPolarHBondContact O-CB 3.49Å; G217-A221 PolarHBondContact O-N 3.26Å; G217-T410 VanDerWaalsContact CA-OG1 3.26Å; G217-T410 WeakPolarHBondContact CA-OG1 3.28Å; G217-T410 WeakPolarHBondContact O-CG2 3.27Å
218	F	89.4	Confident	85.1	Confident	94 Å²	94	67.3 Å²	67.3	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-57.9	-50.1	173.2	178.2	-92.4	0	0	0	111.2	H214 V215 I216 I220 A221 H222 Y414	H214-F218 VanDerWaalsContact O-CB 3.24Å; H214-F218 WeakPolarHBondContact O-CB 3.4Å; H214-F218 PolarHBondContact O-N 2.93Å; V215-F218 WeakPolarHBondContact O-CB 3.47Å; V215-F218 PolarHBondContact O-N 2.66Å; I216-F218 VanDerWaalsContact C-N 3.33Å; I216-F218 PolarHBondContact O-N 3.44Å; F218-I220 PolarHBondContact O-N 3.27Å; F218-A221 PolarHBondContact O-N 3.08Å; F218-H222 AromaticContact CD2-CE1 3.46Å; F218-H222 VanDerWaalsContact CD2-CE1 3.46Å; F218-H222 WeakPolarHBondContact CD2-CE1 3.39Å; F218-H222 AromaticContact CD2-ND1 3.53Å; F218-H222 AromaticContact CE2-CE1 3.2Å; F218-H222 WeakPolarHBondContact CE2-CE1 3.41Å; F218-H222 AromaticContact CE2-ND1 3.49Å; F218-H222 WeakPolarHBondContact CE2-ND1 3.3Å; F218-H222 AromaticContact CE2-NE2 3.6Å; F218-H222 AromaticContact CG-ND1 3.9Å; F218-H222 AromaticContact CZ-CE1 3.83Å; F218-H222 AromaticContact CZ-CG 3.94Å; F218-H222 AromaticContact CZ-ND1 3.81Å; F218-H222 AromaticContact CZ-NE2 3.95Å; F218-H222 WeakPolarHBondContact O-CB 3.48Å; F218-H222 PolarHBondContact O-N 2.82Å; F218-H222 PolarHBondContact O-ND1 3.01Å; F218-Y414 HydrophobicContact CB-CE1 4.45Å; F218-Y414 HydrophobicContact CB-CE2 4.36Å; F218-Y414 AromaticContact CD2-CE1 3.88Å; F218-Y414 HydrophobicContact CD2-CE1 3.88Å
219	L	90.3	Very high	86.2	Confident	101 Å²	101	64.8 Å²	64.8	53%	0.529	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-43.9	178.9	-69.6	173.3	0	0	0	111.4	V215 I216 H222 S223	V215-L219 HydrophobicContact CG1-CD1 4.22Å; V215-L219 VanDerWaalsContact O-CG 3.31Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 2.86Å; I216-L219 PolarHBondContact O-N 2.76Å; L219-H222 PolarHBondContact O-N 3.34Å; L219-S223 WeakPolarHBondContact O-CB 3.09Å; L219-S223 PolarHBondContact O-N 3.35Å; L219-S223 PolarHBondContact O-OG 2.95Å
220	I	89.7	Confident	87.5	Confident	26 Å²	26	54.5 Å²	54.5	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-52.4	177.2	-70.5	171.7	0	0	0	110.3	I216 G217 F218 H222 S223 F224 G225 L406 T410	I216-I220 HydrophobicContact CG2-CD1 3.75Å; I216-I220 HydrophobicContact CG2-CG1 4.28Å; I216-I220 VanDerWaalsContact O-CG1 3.29Å; I216-I220 WeakPolarHBondContact O-CG1 3.28Å; I216-I220 PolarHBondContact O-N 2.98Å; G217-I220 PolarHBondContact O-N 3.35Å; F218-I220 PolarHBondContact O-N 3.27Å; I220-H222 VanDerWaalsContact C-N 3.32Å; I220-H222 PolarHBondContact O-N 3.1Å; I220-S223 PolarHBondContact O-N 2.78Å; I220-S223 PolarHBondContact O-OG 3.08Å; I220-F224 HydrophobicContact CB-CE1 4.27Å; I220-F224 HydrophobicContact CB-CZ 4.43Å; I220-F224 HydrophobicContact CG1-CE1 3.82Å; I220-F224 HydrophobicContact CG1-CZ 4.05Å; I220-F224 HydrophobicContact CG2-CE1 4.04Å; I220-F224 HydrophobicContact CG2-CE2 4.29Å; I220-F224 HydrophobicContact CG2-CZ 3.78Å; I220-F224 PolarHBondContact O-N 2.79Å; I220-G225 WeakPolarHBondContact O-CA 3.37Å; I220-G225 PolarHBondContact O-N 3.41Å; I220-L406 HydrophobicContact CD1-CD1 4.38Å; I220-L406 HydrophobicContact CD1-CD2 3.62Å; I220-L406 HydrophobicContact CD1-CG 4.02Å; I220-T410 HydrophobicContact CB-CG2 4.36Å; I220-T410 HydrophobicContact CG2-CG2 4.11Å
221	A	90.9	Very high	88.6	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.008	29%	0.289	C	S	.	.	I	π-helix	trans	-59	-43.3	-179.2	0	0	0	0	0	111.8	G217 F218 S223 R226 T410 Y414	G217-A221 WeakPolarHBondContact O-CB 3.49Å; G217-A221 PolarHBondContact O-N 3.26Å; F218-A221 PolarHBondContact O-N 3.08Å; A221-S223 VanDerWaalsContact C-N 3.32Å; A221-S223 PolarHBondContact O-N 3.03Å; A221-R226 WeakPolarHBondContact O-CB 3.45Å; A221-R226 PolarHBondContact O-N 3.02Å; A221-T410 HydrophobicContact CB-CG2 3.99Å; A221-Y414 HydrophobicContact CB-CD2 3.98Å; A221-Y414 HydrophobicContact CB-CG 3.8Å
222	H	90.3	Very high	89.4	Confident	72 Å²	72	50 Å²	50	33%	0.333	26%	0.264	S	S	.	.	I	π-helix	trans	-84.4	-0.7	-177.7	-68	74.6	0	0	0	114.3	F218 L219 I220 F331	F218-H222 AromaticContact CD2-CE1 3.46Å; F218-H222 VanDerWaalsContact CD2-CE1 3.46Å; F218-H222 WeakPolarHBondContact CD2-CE1 3.39Å; F218-H222 AromaticContact CD2-ND1 3.53Å; F218-H222 AromaticContact CE2-CE1 3.2Å; F218-H222 WeakPolarHBondContact CE2-CE1 3.41Å; F218-H222 AromaticContact CE2-ND1 3.49Å; F218-H222 WeakPolarHBondContact CE2-ND1 3.3Å; F218-H222 AromaticContact CE2-NE2 3.6Å; F218-H222 AromaticContact CG-ND1 3.9Å; F218-H222 AromaticContact CZ-CE1 3.83Å; F218-H222 AromaticContact CZ-CG 3.94Å; F218-H222 AromaticContact CZ-ND1 3.81Å; F218-H222 AromaticContact CZ-NE2 3.95Å; F218-H222 WeakPolarHBondContact O-CB 3.48Å; F218-H222 PolarHBondContact O-N 2.82Å; F218-H222 PolarHBondContact O-ND1 3.01Å; L219-H222 PolarHBondContact O-N 3.34Å; I220-H222 VanDerWaalsContact C-N 3.32Å; I220-H222 PolarHBondContact O-N 3.1Å; H222-F331 AromaticContact CD2-CE2 3.81Å; H222-F331 AromaticContact CD2-CZ 3.57Å; H222-F331 AromaticContact CE1-CZ 3.87Å; H222-F331 AromaticContact CG-CZ 3.9Å; H222-F331 AromaticContact NE2-CE2 3.79Å; H222-F331 AromaticContact NE2-CZ 3.56Å
223	S	86.9	Confident	90	Very high	42 Å²	42	47.5 Å²	47.5	29%	0.294	25%	0.249	S	C	.	.	I	π-helix	trans	-118.4	-99.2	179.1	66.1	0	0	0	0	112.6	L219 I220 A221 R227	L219-S223 WeakPolarHBondContact O-CB 3.09Å; L219-S223 PolarHBondContact O-N 3.35Å; L219-S223 PolarHBondContact O-OG 2.95Å; I220-S223 PolarHBondContact O-N 2.78Å; I220-S223 PolarHBondContact O-OG 3.08Å; A221-S223 VanDerWaalsContact C-N 3.32Å; A221-S223 PolarHBondContact O-N 3.03Å; S223-R227 VanDerWaalsContact O-CD 3.26Å; S223-R227 WeakPolarHBondContact O-CD 3.2Å; S223-R227 VanDerWaalsContact O-CG 3.3Å; S223-R227 WeakPolarHBondContact O-CG 3.49Å; S223-R227 PolarHBondContact O-NE 3.17Å; S223-R227 PolarHBondContact O-NH1 2.91Å
224	F	87.1	Confident	90.6	Very high	80 Å²	80	46.3 Å²	46.3	35%	0.351	24%	0.24	S	C	.	.	I	π-helix	trans	-86.8	-29.6	-173.9	75.1	-91.8	0	0	0	112.6	I220 R226 R227 M228 W403	I220-F224 HydrophobicContact CB-CE1 4.27Å; I220-F224 HydrophobicContact CB-CZ 4.43Å; I220-F224 HydrophobicContact CG1-CE1 3.82Å; I220-F224 HydrophobicContact CG1-CZ 4.05Å; I220-F224 HydrophobicContact CG2-CE1 4.04Å; I220-F224 HydrophobicContact CG2-CE2 4.29Å; I220-F224 HydrophobicContact CG2-CZ 3.78Å; I220-F224 PolarHBondContact O-N 2.79Å; F224-R226 PolarHBondContact O-N 3.38Å; F224-R227 CarbonylContact O-C 3.58Å; F224-R227 PolarHBondContact O-N 3.04Å; F224-R227 VanDerWaalsContact O-N 3.12Å; F224-M228 HydrophobicContact CD2-CG 4.42Å; F224-M228 HydrophobicContact CD2-SD 3.69Å; F224-M228 HydrophobicContact CE2-SD 4.11Å; F224-M228 WeakPolarHBondContact O-CG 3.27Å; F224-M228 PolarHBondContact O-N 3.3Å; F224-W403 HydrophobicContact CZ-CZ3 4.26Å
225	G	90.3	Very high	90.9	Very high	20 Å²	20	44.5 Å²	44.5	21%	0.206	24%	0.238	C	C	.	.	I	π-helix	trans	-59.1	-52	-176.1	0	0	0	0	0	112.6	I220 R227 M228 L229	I220-G225 WeakPolarHBondContact O-CA 3.37Å; I220-G225 PolarHBondContact O-N 3.41Å; G225-R227 VanDerWaalsContact C-N 3.32Å; G225-R227 PolarHBondContact O-N 2.93Å; G225-M228 PolarHBondContact O-N 3.45Å; G225-L229 PolarHBondContact O-N 3.13Å
226	R	93.8	Very high	90.9	Very high	26 Å²	26	45.6 Å²	45.6	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-38.3	174.1	-176.7	-166.7	75	-154.3	2.2	112.6	A221 F224 M228 L229 Y230 V329 P330	A221-R226 WeakPolarHBondContact O-CB 3.45Å; A221-R226 PolarHBondContact O-N 3.02Å; F224-R226 PolarHBondContact O-N 3.38Å; R226-M228 VanDerWaalsContact C-N 3.34Å; R226-L229 PolarHBondContact O-N 2.89Å; R226-Y230 PolarHBondContact O-N 2.97Å; R226-V329 VanDerWaalsContact CZ-CB 3.5Å; R226-V329 VanDerWaalsContact CZ-CG1 3.4Å; R226-V329 VanDerWaalsContact NH1-CB 3.29Å; R226-V329 VanDerWaalsContact NH1-CG1 3.3Å; R226-P330 HydrophobicContact CG-CG 4.16Å
227	R	92	Very high	91	Very high	66 Å²	66	44.7 Å²	44.7	25%	0.249	24%	0.237	C	C	.	.	H	α-helix	trans	-70	-30.2	-179.7	-67	176.4	-174.5	130.1	-5.3	112.8	Y85 S223 F224 G225 Y230 P231 V234	Y85-R227 PolarHBondContact OH-NH2 3.2Å; S223-R227 VanDerWaalsContact O-CD 3.26Å; S223-R227 WeakPolarHBondContact O-CD 3.2Å; S223-R227 VanDerWaalsContact O-CG 3.3Å; S223-R227 WeakPolarHBondContact O-CG 3.49Å; S223-R227 PolarHBondContact O-NE 3.17Å; S223-R227 PolarHBondContact O-NH1 2.91Å; F224-R227 CarbonylContact O-C 3.58Å; F224-R227 PolarHBondContact O-N 3.04Å; F224-R227 VanDerWaalsContact O-N 3.12Å; G225-R227 VanDerWaalsContact C-N 3.32Å; G225-R227 PolarHBondContact O-N 2.93Å; R227-Y230 CarbonylContact O-C 3.53Å; R227-P231 WeakPolarHBondContact O-CA 3.48Å; R227-V234 HydrophobicContact CB-CG2 3.9Å; R227-V234 HydrophobicContact CG-CG2 4.13Å
228	M	91.1	Very high	91.2	Very high	106 Å²	106	46.3 Å²	46.3	52%	0.522	24%	0.244	S	C	.	.	H	α-helix	trans	-72.7	-37.7	171.1	-75.2	-177.4	65.8	0	0	111.3	F224 G225 R226 V398	F224-M228 HydrophobicContact CD2-CG 4.42Å; F224-M228 HydrophobicContact CD2-SD 3.69Å; F224-M228 HydrophobicContact CE2-SD 4.11Å; F224-M228 WeakPolarHBondContact O-CG 3.27Å; F224-M228 PolarHBondContact O-N 3.3Å; G225-M228 PolarHBondContact O-N 3.45Å; R226-M228 VanDerWaalsContact C-N 3.34Å; M228-V398 HydrophobicContact CE-CG1 4.22Å
229	L	93.8	Very high	91.2	Very high	31 Å²	31	46 Å²	46	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-72.7	-36.8	179.2	-174	59.9	0	0	0	112.5	G225 R226 N296 I364 L391 M415 L417	G225-L229 PolarHBondContact O-N 3.13Å; R226-L229 PolarHBondContact O-N 2.89Å; L229-N296 WeakPolarHBondContact O-CB 3.49Å; L229-N296 PolarHBondContact O-ND2 2.84Å; L229-I364 HydrophobicContact CD1-CD1 3.54Å; L229-I364 HydrophobicContact CD2-CD1 4.19Å; L229-I364 HydrophobicContact CG-CD1 3.63Å; L229-L391 HydrophobicContact CD1-CD1 3.63Å; L229-L391 HydrophobicContact CD1-CD2 4.22Å; L229-L391 HydrophobicContact CD2-CD2 3.7Å; L229-M415 HydrophobicContact CD2-CB 4.28Å; L229-M415 HydrophobicContact CD2-CE 3.28Å; L229-M415 HydrophobicContact CD2-CG 4.34Å; L229-M415 HydrophobicContact CG-CE 4.44Å; L229-L417 HydrophobicContact CD2-CD1 4.03Å
230	Y	96.3	Very high	91.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.			trans	-125.4	72.1	177.1	-71.6	-85.5	0	0	0	111	R226 R227 G232 S233 N296 F323 P330 I364 M415	R226-Y230 PolarHBondContact O-N 2.97Å; R227-Y230 CarbonylContact O-C 3.53Å; Y230-G232 PolarHBondContact O-N 3.32Å; Y230-S233 PolarHBondContact O-N 2.86Å; Y230-S233 PolarHBondContact O-OG 2.91Å; Y230-N296 CarbonylContact C-O 3.51Å; Y230-N296 HydrophobicContact CD1-CB 4.34Å; Y230-F323 HydrophobicContact CD1-CE2 4.1Å; Y230-F323 AromaticContact CD1-CZ 3.9Å; Y230-F323 HydrophobicContact CD1-CZ 3.9Å; Y230-F323 HydrophobicContact CG-CE2 4.5Å; Y230-P330 VanDerWaalsContact CB-CG 3.43Å; Y230-P330 HydrophobicContact CD1-CB 3.89Å; Y230-P330 HydrophobicContact CD1-CG 4.08Å; Y230-P330 HydrophobicContact CD2-CB 3.77Å; Y230-P330 HydrophobicContact CD2-CG 3.62Å; Y230-P330 HydrophobicContact CE1-CB 4.14Å; Y230-P330 HydrophobicContact CE2-CB 4.01Å; Y230-P330 HydrophobicContact CE2-CG 4.36Å; Y230-P330 WeakPolarHBondContact CE2-O 3.41Å; Y230-P330 HydrophobicContact CG-CB 3.7Å; Y230-P330 HydrophobicContact CG-CG 3.46Å; Y230-P330 VanDerWaalsContact CG-CG 3.46Å; Y230-I364 HydrophobicContact CD2-CD1 4.43Å; Y230-I364 HydrophobicContact CE1-CD1 3.91Å; Y230-I364 HydrophobicContact CE1-CG1 4.36Å; Y230-I364 HydrophobicContact CE1-CG2 3.86Å; Y230-I364 HydrophobicContact CE2-CD1 3.81Å; Y230-M415 HydrophobicContact CD2-CE 4.26Å; Y230-M415 HydrophobicContact CE2-CE 3.91Å
231	P	95	Very high	91.3	Very high	37 Å²	37	45.6 Å²	45.6	24%	0.24	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-60.5	-27.2	179.2	24.6	-34.8	0	0	0	112.8	R227 S233 V234 L237 N296 A297	R227-P231 WeakPolarHBondContact O-CA 3.48Å; P231-S233 PolarHBondContact O-N 3.04Å; P231-S233 VanDerWaalsContact O-N 3.13Å; P231-V234 VanDerWaalsContact O-CB 3.25Å; P231-V234 WeakPolarHBondContact O-CB 3.48Å; P231-V234 WeakPolarHBondContact O-CG2 3.39Å; P231-V234 PolarHBondContact O-N 3.14Å; P231-L237 HydrophobicContact CB-CD2 4.15Å; P231-L237 VanDerWaalsContact O-CD2 3.29Å; P231-L237 WeakPolarHBondContact O-CD2 3.3Å; P231-N296 VanDerWaalsContact CD-O 3.24Å; P231-N296 WeakPolarHBondContact CD-O 3.09Å; P231-A297 HydrophobicContact CG-CB 4.15Å
232	G	94.8	Very high	91.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-58.2	-23	173.7	0	0	0	0	0	114	Y230 V234 Q238 N296 F323	Y230-G232 PolarHBondContact O-N 3.32Å; G232-V234 PolarHBondContact O-N 3.4Å; G232-Q238 VanDerWaalsContact O-CD 3.29Å; G232-Q238 WeakPolarHBondContact O-CG 3.44Å; G232-Q238 PolarHBondContact O-NE2 2.97Å; G232-N296 PolarHBondContact N-O 3.1Å; G232-F323 VanDerWaalsContact CA-CE1 3.48Å
233	S	94.3	Very high	91.4	Very high	20 Å²	20	51.3 Å²	51.3	14%	0.14	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-80	-0	174.9	94.6	0	0	0	0	113.6	Y230 P231 Q238 G322 F323	Y230-S233 PolarHBondContact O-N 2.86Å; Y230-S233 PolarHBondContact O-OG 2.91Å; P231-S233 PolarHBondContact O-N 3.04Å; P231-S233 VanDerWaalsContact O-N 3.13Å; S233-Q238 VanDerWaalsContact C-NE2 3.31Å; S233-G322 WeakPolarHBondContact CA-O 3.47Å; S233-F323 VanDerWaalsContact N-CE2 3.29Å
234	V	92.4	Very high	91.7	Very high	29 Å²	29	54.7 Å²	54.7	18%	0.176	29%	0.294	C	S	.	.			trans	-88.1	116.5	-177.9	179.1	0	0	0	0	109.4	Y86 R227 P231 G232 L236 L237 Q238	Y86-V234 HydrophobicContact CE1-CG1 4.28Å; R227-V234 HydrophobicContact CB-CG2 3.9Å; R227-V234 HydrophobicContact CG-CG2 4.13Å; P231-V234 VanDerWaalsContact O-CB 3.25Å; P231-V234 WeakPolarHBondContact O-CB 3.48Å; P231-V234 WeakPolarHBondContact O-CG2 3.39Å; P231-V234 PolarHBondContact O-N 3.14Å; G232-V234 PolarHBondContact O-N 3.4Å; V234-L236 HydrophobicContact CG1-CB 4.41Å; V234-L236 PolarHBondContact O-N 2.85Å; V234-L236 VanDerWaalsContact O-N 3.07Å; V234-L237 HydrophobicContact CB-CB 4.42Å; V234-L237 WeakPolarHBondContact O-CB 2.86Å; V234-L237 PolarHBondContact O-N 3.27Å; V234-Q238 PolarHBondContact O-N 3.12Å
235	G	88.4	Confident	92.1	Very high	26 Å²	26	51.6 Å²	51.6	27%	0.268	28%	0.281	S	S	.	.	H	α-helix	trans	-56.9	-29	-175	0	0	0	0	0	115.1	Y86 K239	Y86-G235 PolarHBondContact OH-N 3.38Å; G235-K239 WeakPolarHBondContact O-CB 3.27Å; G235-K239 VanDerWaalsContact O-CG 3.29Å; G235-K239 WeakPolarHBondContact O-CG 3.46Å; G235-K239 PolarHBondContact O-N 3.39Å
236	L	87.1	Confident	92.3	Very high	101 Å²	101	53.5 Å²	53.5	53%	0.529	28%	0.284	S	S	.	.	H	α-helix	trans	-68.5	-42.9	174.5	-174.4	63.9	0	0	0	112.2	Y86 V234 K239 A240	Y86-L236 HydrophobicContact CE2-CB 4.32Å; V234-L236 HydrophobicContact CG1-CB 4.41Å; V234-L236 PolarHBondContact O-N 2.85Å; V234-L236 VanDerWaalsContact O-N 3.07Å; L236-K239 PolarHBondContact O-N 3.05Å; L236-A240 PolarHBondContact O-N 2.75Å; L236-A240 VanDerWaalsContact O-N 3.1Å
237	L	89.8	Confident	92.3	Very high	61 Å²	61	54.2 Å²	54.2	32%	0.319	30%	0.3	S	S	.	.	H	α-helix	trans	-64	-45.6	175.7	-178.7	66.5	0	0	0	110.4	P231 V234 K239 A240 M241	P231-L237 HydrophobicContact CB-CD2 4.15Å; P231-L237 VanDerWaalsContact O-CD2 3.29Å; P231-L237 WeakPolarHBondContact O-CD2 3.3Å; V234-L237 HydrophobicContact CB-CB 4.42Å; V234-L237 WeakPolarHBondContact O-CB 2.86Å; V234-L237 PolarHBondContact O-N 3.27Å; L237-K239 VanDerWaalsContact C-N 3.32Å; L237-K239 PolarHBondContact O-N 2.9Å; L237-A240 WeakPolarHBondContact O-CA 3.19Å; L237-A240 WeakPolarHBondContact O-CB 3.41Å; L237-A240 PolarHBondContact O-N 3.32Å; L237-M241 HydrophobicContact CD1-CG 4.37Å; L237-M241 HydrophobicContact CD1-SD 4.12Å; L237-M241 HydrophobicContact CD2-SD 4.36Å; L237-M241 HydrophobicContact CG-CG 4.46Å; L237-M241 HydrophobicContact CG-SD 3.93Å; L237-M241 WeakPolarHBondContact O-CG 3.43Å; L237-M241 PolarHBondContact O-N 2.91Å
238	Q	91.5	Very high	92.4	Very high	34 Å²	34	51.5 Å²	51.5	16%	0.159	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-40.9	177	-65.3	-179.4	38.4	0	0	112.4	G232 S233 V234 A240 M241 R242 F299 G322	G232-Q238 VanDerWaalsContact O-CD 3.29Å; G232-Q238 WeakPolarHBondContact O-CG 3.44Å; G232-Q238 PolarHBondContact O-NE2 2.97Å; S233-Q238 VanDerWaalsContact C-NE2 3.31Å; V234-Q238 PolarHBondContact O-N 3.12Å; Q238-A240 VanDerWaalsContact C-N 3.3Å; Q238-A240 PolarHBondContact O-N 2.96Å; Q238-M241 PolarHBondContact O-N 3.05Å; Q238-R242 PolarHBondContact O-N 3.38Å; Q238-F299 HydrophobicContact CG-CE1 4.25Å; Q238-F299 HydrophobicContact CG-CZ 4.09Å; Q238-G322 PolarHBondContact NE2-O 2.65Å
239	K	88.9	Confident	92.6	Very high	88 Å²	88	46.7 Å²	46.7	38%	0.383	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-40.8	173.4	-80.8	177.2	175.5	-174.2	0	111.7	S78 S82 G235 L236 L237 R242	S78-K239 PolarHBondContact O-NZ 3.13Å; S78-K239 PolarHBondContact OG-NZ 2.74Å; S82-K239 PolarHBondContact OG-NZ 3.24Å; G235-K239 WeakPolarHBondContact O-CB 3.27Å; G235-K239 VanDerWaalsContact O-CG 3.29Å; G235-K239 WeakPolarHBondContact O-CG 3.46Å; G235-K239 PolarHBondContact O-N 3.39Å; L236-K239 PolarHBondContact O-N 3.05Å; L237-K239 VanDerWaalsContact C-N 3.32Å; L237-K239 PolarHBondContact O-N 2.9Å; K239-R242 WeakPolarHBondContact O-CB 3.31Å
240	A	90.2	Very high	92.6	Very high	77 Å²	77	45.8 Å²	45.8	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-68.7	-37	177.5	0	0	0	0	0	112.6	L236 L237 Q238	L236-A240 PolarHBondContact O-N 2.75Å; L236-A240 VanDerWaalsContact O-N 3.1Å; L237-A240 WeakPolarHBondContact O-CA 3.19Å; L237-A240 WeakPolarHBondContact O-CB 3.41Å; L237-A240 PolarHBondContact O-N 3.32Å; Q238-A240 VanDerWaalsContact C-N 3.3Å; Q238-A240 PolarHBondContact O-N 2.96Å
241	M	92.4	Very high	92.4	Very high	40 Å²	40	49.5 Å²	49.5	20%	0.197	28%	0.282	C	S	.	.	H	α-helix	trans	-81.3	-12.1	179.5	-66.3	-177.5	68.4	0	0	113.8	L237 Q238 P243 M244 L245 F299	L237-M241 HydrophobicContact CD1-CG 4.37Å; L237-M241 HydrophobicContact CD1-SD 4.12Å; L237-M241 HydrophobicContact CD2-SD 4.36Å; L237-M241 HydrophobicContact CG-CG 4.46Å; L237-M241 HydrophobicContact CG-SD 3.93Å; L237-M241 WeakPolarHBondContact O-CG 3.43Å; L237-M241 PolarHBondContact O-N 2.91Å; Q238-M241 PolarHBondContact O-N 3.05Å; M241-P243 VanDerWaalsContact C-CD 3.43Å; M241-P243 VanDerWaalsContact O-N 3.14Å; M241-M244 HydrophobicContact CE-SD 4.47Å; M241-M244 WeakPolarHBondContact O-CA 3.5Å; M241-M244 WeakPolarHBondContact O-CB 3.36Å; M241-M244 PolarHBondContact O-N 3Å; M241-L245 HydrophobicContact CB-CD1 4.44Å; M241-L245 HydrophobicContact CB-CG 4.31Å; M241-L245 PolarHBondContact O-N 2.71Å; M241-F299 HydrophobicContact CE-CD2 3.58Å; M241-F299 HydrophobicContact CE-CE2 3.51Å; M241-F299 HydrophobicContact SD-CD2 4.24Å; M241-F299 HydrophobicContact SD-CE2 3.52Å; M241-F299 VanDerWaalsContact SD-CE2 3.52Å; M241-F299 HydrophobicContact SD-CZ 4.3Å
242	R	91.1	Very high	92.4	Very high	102 Å²	102	47.8 Å²	47.8	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-47.4	-45.2	-174.1	-163	-178.9	-157.1	-153.2	6.2	114.8	D165 Q238 K239 M244 L245 Q246	D165-R242 IonicContact OD1-NH2 2.86Å; D165-R242 PolarHBondContact OD1-NH2 2.94Å; Q238-R242 PolarHBondContact O-N 3.38Å; K239-R242 WeakPolarHBondContact O-CB 3.31Å; R242-M244 VanDerWaalsContact C-N 3.32Å; R242-M244 PolarHBondContact O-N 2.86Å; R242-L245 PolarHBondContact O-N 2.87Å; R242-Q246 HydrophobicContact CG-CG 4.43Å; R242-Q246 WeakPolarHBondContact O-CB 3.47Å; R242-Q246 VanDerWaalsContact O-CG 3.3Å; R242-Q246 WeakPolarHBondContact O-CG 3.13Å; R242-Q246 PolarHBondContact O-N 2.73Å
243	P	92.2	Very high	92.4	Very high	92 Å²	92	49.3 Å²	49.3	60%	0.597	28%	0.279	S	S	*	.	H	α-helix	trans	-63.2	-38.1	179.1	-21.8	34.5	0	0	0	113	M241 G247	M241-P243 VanDerWaalsContact C-CD 3.43Å; M241-P243 VanDerWaalsContact O-N 3.14Å; P243-G247 PolarHBondContact O-N 2.97Å
244	M	93.9	Very high	92.3	Very high	113 Å²	113	51.6 Å²	51.6	56%	0.557	29%	0.287	S	S	*	.	H	α-helix	trans	-67.4	-44.9	177.3	176.5	-176	-69.1	0	0	110.8	M241 R242 Q246 G247 G248 V302	M241-M244 HydrophobicContact CE-SD 4.47Å; M241-M244 WeakPolarHBondContact O-CA 3.5Å; M241-M244 WeakPolarHBondContact O-CB 3.36Å; M241-M244 PolarHBondContact O-N 3Å; R242-M244 VanDerWaalsContact C-N 3.32Å; R242-M244 PolarHBondContact O-N 2.86Å; M244-Q246 PolarHBondContact O-N 2.97Å; M244-G247 PolarHBondContact O-N 3Å; M244-G248 PolarHBondContact O-N 2.92Å; M244-V302 HydrophobicContact CG-CB 4.42Å; M244-V302 HydrophobicContact CG-CG1 3.74Å; M244-V302 HydrophobicContact CG-CG2 4.27Å; M244-V302 HydrophobicContact SD-CG1 4.49Å; M244-V302 HydrophobicContact SD-CG2 4.1Å
245	L	95.1	Very high	92.2	Very high	14 Å²	14	55.6 Å²	55.6	7%	0.073	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-43.2	177.5	-58.1	-177.6	0	0	0	111.8	M241 R242 G247 G248 L249 F299 E301 V302 A324	M241-L245 HydrophobicContact CB-CD1 4.44Å; M241-L245 HydrophobicContact CB-CG 4.31Å; M241-L245 PolarHBondContact O-N 2.71Å; R242-L245 PolarHBondContact O-N 2.87Å; L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 3.28Å; L245-G248 PolarHBondContact O-N 3.04Å; L245-L249 WeakPolarHBondContact O-CB 3.02Å; L245-L249 PolarHBondContact O-N 2.79Å; L245-F299 HydrophobicContact CD1-CD1 3.97Å; L245-F299 HydrophobicContact CD1-CE1 4.16Å; L245-F299 HydrophobicContact CD1-CG 4.26Å; L245-F299 HydrophobicContact CD2-CB 3.5Å; L245-F299 HydrophobicContact CD2-CD1 4.12Å; L245-F299 HydrophobicContact CD2-CD2 3.92Å; L245-F299 HydrophobicContact CD2-CG 3.58Å; L245-E301 HydrophobicContact CB-CB 4.41Å; L245-E301 HydrophobicContact CB-CG 4.4Å; L245-E301 HydrophobicContact CD2-CB 4.14Å; L245-V302 HydrophobicContact CD2-CG2 4.04Å; L245-A324 HydrophobicContact CD1-CB 4.09Å
246	Q	93.3	Very high	92.3	Very high	60 Å²	60	56.6 Å²	56.6	28%	0.28	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-39.7	176	-73.9	177.7	-33.2	0	0	112.4	Q39 R242 M244 A250	Q39-Q246 VanDerWaalsContact CD-NE2 3.33Å; R242-Q246 HydrophobicContact CG-CG 4.43Å; R242-Q246 WeakPolarHBondContact O-CB 3.47Å; R242-Q246 VanDerWaalsContact O-CG 3.3Å; R242-Q246 WeakPolarHBondContact O-CG 3.13Å; R242-Q246 PolarHBondContact O-N 2.73Å; M244-Q246 PolarHBondContact O-N 2.97Å; Q246-A250 WeakPolarHBondContact O-CB 3.07Å; Q246-A250 PolarHBondContact O-N 2.86Å
247	G	93.8	Very high	92.6	Very high	42 Å²	42	56.4 Å²	56.4	43%	0.433	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-45.4	174.4	0	0	0	0	0	112.4	P243 M244 L245 A250 K251	P243-G247 PolarHBondContact O-N 2.97Å; M244-G247 PolarHBondContact O-N 3Å; L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 3.28Å; G247-A250 PolarHBondContact O-N 2.93Å; G247-K251 WeakPolarHBondContact O-CB 3.42Å; G247-K251 PolarHBondContact O-N 3.48Å
248	G	95	Very high	92.8	Very high	9 Å²	9	54 Å²	54	9%	0.093	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-46.1	176.7	0	0	0	0	0	112.8	M244 L245 A250 K251 L252 E301	M244-G248 PolarHBondContact O-N 2.92Å; L245-G248 PolarHBondContact O-N 3.04Å; G248-A250 PolarHBondContact O-N 2.66Å; G248-K251 WeakPolarHBondContact O-CB 3.04Å; G248-K251 PolarHBondContact O-N 3.45Å; G248-L252 WeakPolarHBondContact O-CG 3.39Å; G248-L252 PolarHBondContact O-N 3.45Å; G248-E301 CarbonylContact C-O 3.58Å; G248-E301 WeakPolarHBondContact CA-O 3.1Å
249	L	94.6	Very high	93	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-46.9	174.5	-179.9	62.3	0	0	0	112	D163 L245 K251 L252 I253 M274 Y300 E301	D163-L249 WeakPolarHBondContact OD1-CD2 2.61Å; L245-L249 WeakPolarHBondContact O-CB 3.02Å; L245-L249 PolarHBondContact O-N 2.79Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 3.08Å; L249-L252 PolarHBondContact O-N 3.08Å; L249-I253 HydrophobicContact CD1-CD1 3.83Å; L249-I253 HydrophobicContact CD1-CG1 4.29Å; L249-I253 HydrophobicContact CG-CD1 3.9Å; L249-I253 WeakPolarHBondContact O-CG1 3.45Å; L249-I253 PolarHBondContact O-N 3.39Å; L249-M274 HydrophobicContact CD1-CE 3.3Å; L249-Y300 HydrophobicContact CD1-CE2 4.49Å; L249-E301 HydrophobicContact CB-CG 4.1Å
250	A	93.6	Very high	93.4	Very high	12 Å²	12	52.3 Å²	52.3	10%	0.099	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-40.7	177.6	0	0	0	0	0	111.8	Q246 G247 G248 I253 E254	Q246-A250 WeakPolarHBondContact O-CB 3.07Å; Q246-A250 PolarHBondContact O-N 2.86Å; G247-A250 PolarHBondContact O-N 2.93Å; G248-A250 PolarHBondContact O-N 2.66Å; A250-I253 PolarHBondContact O-N 3.34Å; A250-E254 WeakPolarHBondContact O-CB 3.48Å; A250-E254 VanDerWaalsContact O-CG 3.3Å; A250-E254 WeakPolarHBondContact O-CG 3.44Å; A250-E254 PolarHBondContact O-N 3.35Å
251	K	93.9	Very high	93.7	Very high	79 Å²	79	48.8 Å²	48.8	34%	0.343	25%	0.252	S	S	.	.	H	α-helix	trans	-59.1	-49.3	174.3	-170.6	-169.6	-178.3	-169.5	0	111.3	G247 G248 L249 I253 E254 E255 Y256	G247-K251 WeakPolarHBondContact O-CB 3.42Å; G247-K251 PolarHBondContact O-N 3.48Å; G248-K251 WeakPolarHBondContact O-CB 3.04Å; G248-K251 PolarHBondContact O-N 3.45Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 3.08Å; K251-I253 VanDerWaalsContact C-N 3.35Å; K251-I253 PolarHBondContact O-N 2.99Å; K251-E254 PolarHBondContact O-N 2.67Å; K251-E255 VanDerWaalsContact CE-OE2 3.31Å; K251-E255 WeakPolarHBondContact CE-OE2 3.31Å; K251-E255 HydrophobicContact CG-CB 4.49Å; K251-E255 HydrophobicContact CG-CG 4.24Å; K251-E255 WeakPolarHBondContact CG-OE2 2.88Å; K251-E255 VanDerWaalsContact O-CB 3.29Å; K251-E255 WeakPolarHBondContact O-CB 3.26Å; K251-E255 PolarHBondContact O-N 3Å; K251-Y256 HydrophobicContact CD-CE2 4.45Å; K251-Y256 HydrophobicContact CG-CE2 4.31Å
252	L	95.1	Very high	94	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-42.7	179.7	-69.3	167.9	0	0	0	112.1	G248 L249 Y256 D257 G258 M274 Y300 M305 L309	G248-L252 WeakPolarHBondContact O-CG 3.39Å; G248-L252 PolarHBondContact O-N 3.45Å; L249-L252 PolarHBondContact O-N 3.08Å; L252-Y256 HydrophobicContact CD2-CD2 4.28Å; L252-Y256 CarbonylContact O-C 3.47Å; L252-Y256 WeakPolarHBondContact O-CB 3.46Å; L252-Y256 PolarHBondContact O-N 3.4Å; L252-D257 PolarHBondContact O-N 3.02Å; L252-G258 WeakPolarHBondContact O-CA 3.43Å; L252-G258 PolarHBondContact O-N 3.43Å; L252-M274 HydrophobicContact CB-CG 4.22Å; L252-M274 HydrophobicContact CB-SD 4.43Å; L252-M274 HydrophobicContact CD1-CG 4.05Å; L252-Y300 HydrophobicContact CD1-CD2 4.1Å; L252-Y300 HydrophobicContact CD1-CE2 4.28Å; L252-M305 HydrophobicContact CD1-CE 4.23Å; L252-M305 HydrophobicContact CD1-SD 3.76Å; L252-M305 HydrophobicContact CD2-CE 3.89Å; L252-M305 HydrophobicContact CD2-SD 4.26Å; L252-L309 HydrophobicContact CD2-CD2 3.77Å
253	I	93.8	Very high	94.3	Very high	31 Å²	31	42 Å²	42	16%	0.159	23%	0.225	C	C	.	.	H	α-helix	trans	-71.7	-44.9	179.3	-66.3	170.4	0	0	0	111.5	H42 L249 A250 K251 D257 M274	H42-I253 HydrophobicContact CB-CG2 4.24Å; L249-I253 HydrophobicContact CD1-CD1 3.83Å; L249-I253 HydrophobicContact CD1-CG1 4.29Å; L249-I253 HydrophobicContact CG-CD1 3.9Å; L249-I253 WeakPolarHBondContact O-CG1 3.45Å; L249-I253 PolarHBondContact O-N 3.39Å; A250-I253 PolarHBondContact O-N 3.34Å; K251-I253 VanDerWaalsContact C-N 3.35Å; K251-I253 PolarHBondContact O-N 2.99Å; I253-D257 WeakPolarHBondContact O-CA 3.43Å; I253-D257 PolarHBondContact O-N 3.2Å; I253-M274 HydrophobicContact CD1-CE 4.43Å; I253-M274 HydrophobicContact CG1-CE 3.98Å
254	E	91.5	Very high	94.6	Very high	69 Å²	69	39 Å²	39	32%	0.322	21%	0.205	S	C	.	.	H	α-helix	trans	-90.2	-31.6	-167.4	-65.7	172.9	-163.1	0	0	114.1	R40 H42 A58 A250 K251	R40-E254 IonicContact CZ-OE1 2.79Å; R40-E254 IonicContact CZ-OE2 3.46Å; R40-E254 IonicContact NE-OE1 3.01Å; R40-E254 PolarHBondContact NE-OE1 3.37Å; R40-E254 VanDerWaalsContact NH2-CD 3.25Å; R40-E254 IonicContact NH2-OE1 3.89Å; R40-E254 PolarHBondContact NH2-OE1 2.97Å; R40-E254 IonicContact NH2-OE2 3.75Å; R40-E254 PolarHBondContact NH2-OE2 3.07Å; H42-E254 IonicContact CE1-OE1 2.68Å; H42-E254 IonicContact CG-OE1 2.82Å; H42-E254 IonicContact ND1-OE1 3.83Å; H42-E254 PolarHBondContact ND1-OE1 3.15Å; A58-E254 HydrophobicContact CB-CG 4.5Å; A58-E254 VanDerWaalsContact CB-OE1 3.26Å; A58-E254 WeakPolarHBondContact CB-OE1 3.49Å; A250-E254 WeakPolarHBondContact O-CB 3.48Å; A250-E254 VanDerWaalsContact O-CG 3.3Å; A250-E254 WeakPolarHBondContact O-CG 3.44Å; A250-E254 PolarHBondContact O-N 3.35Å; K251-E254 PolarHBondContact O-N 2.67Å
255	E	90.6	Very high	94.7	Very high	112 Å²	112	33.9 Å²	33.9	52%	0.523	18%	0.18	S	C	.	.	H	α-helix	trans	-97.4	-30.5	-179	-60.1	-179.1	-170	0	0	112.3	K251	K251-E255 VanDerWaalsContact CE-OE2 3.31Å; K251-E255 WeakPolarHBondContact CE-OE2 3.31Å; K251-E255 HydrophobicContact CG-CB 4.49Å; K251-E255 HydrophobicContact CG-CG 4.24Å; K251-E255 WeakPolarHBondContact CG-OE2 2.88Å; K251-E255 VanDerWaalsContact O-CB 3.29Å; K251-E255 WeakPolarHBondContact O-CB 3.26Å; K251-E255 PolarHBondContact O-N 3Å
256	Y	91.4	Very high	94.6	Very high	48 Å²	48	35.1 Å²	35.1	19%	0.188	19%	0.19	C	C	.	.	H	α-helix	trans	-116	7.7	-173.8	-61.4	-72.1	0	0	0	114.2	K251 L252 G258 V276 L309	K251-Y256 HydrophobicContact CD-CE2 4.45Å; K251-Y256 HydrophobicContact CG-CE2 4.31Å; L252-Y256 HydrophobicContact CD2-CD2 4.28Å; L252-Y256 CarbonylContact O-C 3.47Å; L252-Y256 WeakPolarHBondContact O-CB 3.46Å; L252-Y256 PolarHBondContact O-N 3.4Å; Y256-G258 PolarHBondContact O-N 2.64Å; Y256-G258 VanDerWaalsContact O-N 3.16Å; Y256-V276 WeakPolarHBondContact O-CG1 3.4Å; Y256-L309 HydrophobicContact CD1-CD1 4.1Å; Y256-L309 HydrophobicContact CD1-CD2 3.95Å; Y256-L309 HydrophobicContact CD1-CG 4.08Å; Y256-L309 HydrophobicContact CD2-CD2 3.78Å; Y256-L309 HydrophobicContact CE1-CD2 4.09Å; Y256-L309 HydrophobicContact CE1-CG 4.1Å; Y256-L309 HydrophobicContact CE2-CD2 3.91Å; Y256-L309 HydrophobicContact CG-CD1 4.44Å; Y256-L309 HydrophobicContact CG-CD2 3.77Å; Y256-L309 HydrophobicContact CG-CG 4.39Å
257	D	92.3	Very high	94.6	Very high	96 Å²	96	34.9 Å²	34.9	51%	0.513	19%	0.19	S	C	.	.			trans	54.6	34.3	179.1	-61.6	-62.8	0	0	0	112.4	R49 L252 I253	R49-D257 IonicContact NH2-OD2 3.4Å; R49-D257 PolarHBondContact NH2-OD2 3.38Å; L252-D257 PolarHBondContact O-N 3.02Å; I253-D257 WeakPolarHBondContact O-CA 3.43Å; I253-D257 PolarHBondContact O-N 3.2Å
258	G	95.1	Very high	94.7	Very high	10 Å²	10	35.2 Å²	35.2	10%	0.103	19%	0.193	C	C	.	.			trans	-67	141.3	-175.7	0	0	0	0	0	114	L252 Y256 F275	L252-G258 WeakPolarHBondContact O-CA 3.43Å; L252-G258 PolarHBondContact O-N 3.43Å; Y256-G258 PolarHBondContact O-N 2.64Å; Y256-G258 VanDerWaalsContact O-N 3.16Å; G258-F275 CarbonylContact C-O 3.54Å; G258-F275 WeakPolarHBondContact CA-O 3.21Å
259	E	95.4	Very high	94.8	Very high	70 Å²	70	35.8 Å²	35.8	33%	0.327	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107	178.8	-57.1	-163.2	158.1	0	0	111.2	R160 N261 M274 F275	R160-E259 VanDerWaalsContact CZ-CD 3.47Å; R160-E259 IonicContact CZ-OE1 3.79Å; R160-E259 IonicContact CZ-OE2 2.92Å; R160-E259 VanDerWaalsContact CZ-OE2 3.23Å; R160-E259 IonicContact NH1-OE1 3.32Å; R160-E259 PolarHBondContact NH1-OE1 3.17Å; R160-E259 IonicContact NH1-OE2 3.81Å; R160-E259 PolarHBondContact NH1-OE2 3.42Å; R160-E259 IonicContact NH2-OE1 3.2Å; R160-E259 IonicContact NH2-OE2 2.73Å; R160-E259 PolarHBondContact NH2-OE2 3.48Å; E259-N261 PolarHBondContact O-ND2 3.41Å; E259-M274 PolarHBondContact N-SD 3.16Å; E259-M274 VanDerWaalsContact N-SD 3.37Å; E259-F275 PolarHBondContact N-O 3.4Å; E259-F275 PolarHBondContact O-N 3.21Å
260	R	96.5	Very high	94.9	Very high	18 Å²	18	38.3 Å²	38.3	7%	0.068	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	137.6	170.6	-161.3	-179	-174.7	174.7	6	110.8	D163 F166 D272 T273 M274	D163-R260 IonicContact OD1-NH1 3.75Å; D163-R260 PolarHBondContact OD1-NH1 3.45Å; F166-R260 HydrophobicContact CE2-CG 4.49Å; R260-D272 IonicContact CZ-OD1 3.63Å; R260-D272 IonicContact CZ-OD2 3.17Å; R260-D272 IonicContact NE-OD1 2.86Å; R260-D272 PolarHBondContact NE-OD1 2.91Å; R260-D272 IonicContact NE-OD2 2.66Å; R260-D272 PolarHBondContact NE-OD2 3.42Å; R260-D272 IonicContact NH2-OD1 3.18Å; R260-D272 IonicContact NH2-OD2 3.57Å; R260-D272 PolarHBondContact NH2-OD2 3.38Å; R260-T273 CarbonylContact C-O 3.52Å; R260-T273 VanDerWaalsContact CA-O 3.28Å; R260-T273 WeakPolarHBondContact CA-O 3.36Å; R260-T273 WeakPolarHBondContact CG-O 3.38Å; R260-M274 HydrophobicContact CB-CE 3.68Å; R260-M274 HydrophobicContact CG-CE 4.17Å
261	N	97.6	Very high	95.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.011	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.8	177.6	-52	-82.5	0	0	0	111.9	K156 D172 E259 L263 T273 F345	K156-N261 WeakPolarHBondContact CE-OD1 3.42Å; K156-N261 PolarHBondContact NZ-OD1 2.95Å; D172-N261 HydrophobicContact CB-CB 4.06Å; D172-N261 VanDerWaalsContact OD2-CA 3.25Å; D172-N261 WeakPolarHBondContact OD2-CA 3.17Å; E259-N261 PolarHBondContact O-ND2 3.41Å; N261-L263 HydrophobicContact CB-CD2 4.3Å; N261-T273 WeakPolarHBondContact CB-OG1 3.2Å; N261-T273 PolarHBondContact N-O 3.16Å; N261-T273 PolarHBondContact O-N 3.13Å; N261-T273 PolarHBondContact O-OG1 2.87Å; N261-F345 HydrophobicContact CB-CE1 4.4Å; N261-F345 HydrophobicContact CB-CZ 4Å
262	K	98.1	Very high	95.4	Very high	1 Å²	1	34 Å²	34	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.2	169.7	178.9	178.7	-74.5	-170.8	0	111.4	F166 W169 D172 F173 E270	F166-K262 HydrophobicContact CE1-CB 4.25Å; F166-K262 HydrophobicContact CE1-CD 4.32Å; F166-K262 HydrophobicContact CE1-CG 4.05Å; F166-K262 HydrophobicContact CE2-CB 4.04Å; F166-K262 HydrophobicContact CZ-CB 3.51Å; F166-K262 HydrophobicContact CZ-CD 4.36Å; F166-K262 HydrophobicContact CZ-CG 3.81Å; F166-K262 VanDerWaalsContact O-CE 3.29Å; F166-K262 WeakPolarHBondContact O-CE 3.47Å; F166-K262 PolarHBondContact O-NZ 2.93Å; W169-K262 WeakPolarHBondContact O-CD 3.4Å; W169-K262 WeakPolarHBondContact O-CE 3.42Å; W169-K262 PolarHBondContact O-NZ 2.77Å; D172-K262 WeakPolarHBondContact CB-O 3.49Å; D172-K262 PolarHBondContact N-O 3.33Å; D172-K262 PolarHBondContact OD2-N 3.14Å; F173-K262 PolarHBondContact N-O 3.14Å; K262-E270 HydrophobicContact CD-CB 4.06Å; K262-E270 HydrophobicContact CD-CG 4.13Å; K262-E270 VanDerWaalsContact CE-OE2 3.3Å; K262-E270 WeakPolarHBondContact CE-OE2 3.48Å; K262-E270 HydrophobicContact CG-CB 4.12Å; K262-E270 IonicContact NZ-OE1 3.11Å; K262-E270 IonicContact NZ-OE2 3.59Å; K262-E270 PolarHBondContact NZ-OE2 2.93Å
263	L	98.4	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.3	176.7	-44.1	-176.7	0	0	0	110.3	F173 N261 E270 I271 T273 V341 V342 F345	F173-L263 HydrophobicContact CB-CD2 3.79Å; F173-L263 CarbonylContact O-C 3.59Å; F173-L263 WeakPolarHBondContact O-CA 3.43Å; N261-L263 HydrophobicContact CB-CD2 4.3Å; L263-E270 CarbonylContact O-C 3.57Å; L263-E270 WeakPolarHBondContact O-CA 3.43Å; L263-I271 HydrophobicContact CB-CB 4.39Å; L263-I271 PolarHBondContact N-O 2.93Å; L263-I271 PolarHBondContact O-N 2.91Å; L263-T273 HydrophobicContact CD1-CG2 3.57Å; L263-T273 HydrophobicContact CG-CG2 3.83Å; L263-V341 HydrophobicContact CB-CG1 4.13Å; L263-V341 HydrophobicContact CB-CG2 4.1Å; L263-V342 HydrophobicContact CD1-CB 4.43Å; L263-V342 HydrophobicContact CD1-CG2 3.87Å; L263-F345 HydrophobicContact CD1-CB 3.81Å; L263-F345 HydrophobicContact CD1-CD1 4.04Å; L263-F345 HydrophobicContact CD1-CG 3.99Å; L263-F345 HydrophobicContact CD2-CB 4.01Å; L263-F345 HydrophobicContact CD2-CD1 3.88Å; L263-F345 HydrophobicContact CD2-CD2 3.56Å; L263-F345 HydrophobicContact CD2-CE1 4.19Å; L263-F345 HydrophobicContact CD2-CE2 3.87Å; L263-F345 HydrophobicContact CD2-CG 3.54Å; L263-F345 HydrophobicContact CD2-CZ 4.19Å; L263-F345 HydrophobicContact CG-CG 4.46Å
264	V	97.9	Very high	95.8	Very high	29 Å²	29	32.4 Å²	32.4	18%	0.176	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	109.4	176.6	-177.7	0	0	0	0	109.7	A171 F173 W175 N269	A171-V264 HydrophobicContact CB-CG2 3.71Å; F173-V264 PolarHBondContact O-N 2.98Å; W175-V264 PolarHBondContact N-O 3.21Å; V264-N269 WeakPolarHBondContact CA-O 3.43Å
265	A	96.2	Very high	96.1	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.033	16%	0.163	C	C	.	.			trans	-71.6	166.9	179.1	0	0	0	0	0	112.2	D267 G268 N269 I271 N337 V341	A265-D267 WeakPolarHBondContact CB-OD1 3.45Å; A265-D267 PolarHBondContact O-N 3.46Å; A265-G268 PolarHBondContact O-N 3.16Å; A265-N269 PolarHBondContact N-O 3.28Å; A265-I271 HydrophobicContact CB-CG1 4.41Å; A265-N337 HydrophobicContact CB-CB 4.41Å; A265-V341 HydrophobicContact CB-CB 4.48Å; A265-V341 HydrophobicContact CB-CG1 3.86Å
266	C	93.5	Very high	96.5	Very high	41 Å²	41	24.1 Å²	24.1	28%	0.277	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.6	-176.2	65.4	0	0	0	0	114.5	W175 G268 N337	W175-C266 HydrophobicContact CB-CB 4.42Å; W175-C266 VanDerWaalsContact CD1-CB 3.43Å; W175-C266 HydrophobicContact CD2-CB 4.15Å; W175-C266 HydrophobicContact CG-CB 3.74Å; C266-G268 VanDerWaalsContact C-N 3.31Å; C266-N337 PolarHBondContact SG-OD1 3.37Å; C266-N337 VanDerWaalsContact SG-OD1 3.35Å
267	D	92.9	Very high	96.7	Very high	55 Å²	55	24.1 Å²	24.1	29%	0.294	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.4	174.1	59	12.3	0	0	0	113.3	A265 N269 N334 N337	A265-D267 WeakPolarHBondContact CB-OD1 3.45Å; A265-D267 PolarHBondContact O-N 3.46Å; D267-N269 VanDerWaalsContact C-N 3.3Å; D267-N269 VanDerWaalsContact OD1-CB 3.3Å; D267-N269 WeakPolarHBondContact OD1-CB 3.46Å; D267-N269 PolarHBondContact OD1-N 3.46Å; D267-N269 PolarHBondContact OD1-ND2 2.92Å; D267-N269 PolarHBondContact OD2-ND2 2.89Å; D267-N334 PolarHBondContact OD2-ND2 3.4Å; D267-N337 PolarHBondContact OD2-ND2 3.48Å
268	G	94.8	Very high	96.9	Very high	48 Å²	48	21.7 Å²	21.7	50%	0.495	13%	0.125	S	C	.	.	S	Bend	trans	82.5	1.5	-179.6	0	0	0	0	0	114.3	A265 C266	A265-G268 PolarHBondContact O-N 3.16Å; C266-G268 VanDerWaalsContact C-N 3.31Å
269	N	97.3	Very high	96.9	Very high	22 Å²	22	26 Å²	26	12%	0.118	14%	0.138	C	C	.	.			trans	-68.6	137.1	174.1	-69.9	-46	0	0	0	111	V264 A265 D267 I271 T327 G328 N334	V264-N269 WeakPolarHBondContact CA-O 3.43Å; A265-N269 PolarHBondContact N-O 3.28Å; D267-N269 VanDerWaalsContact C-N 3.3Å; D267-N269 VanDerWaalsContact OD1-CB 3.3Å; D267-N269 WeakPolarHBondContact OD1-CB 3.46Å; D267-N269 PolarHBondContact OD1-N 3.46Å; D267-N269 PolarHBondContact OD1-ND2 2.92Å; D267-N269 PolarHBondContact OD2-ND2 2.89Å; N269-I271 HydrophobicContact CB-CD1 4.19Å; N269-T327 WeakPolarHBondContact CA-OG1 3.16Å; N269-G328 WeakPolarHBondContact OD1-CA 3.41Å; N269-G328 PolarHBondContact OD1-N 3.09Å; N269-N334 PolarHBondContact ND2-ND2 3.39Å
270	E	98.3	Very high	96.7	Very high	56 Å²	56	31.6 Å²	31.6	26%	0.262	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124.8	171	-54.4	-177.1	155.3	0	0	108.6	K262 L263 S326 T327	K262-E270 HydrophobicContact CD-CB 4.06Å; K262-E270 HydrophobicContact CD-CG 4.13Å; K262-E270 VanDerWaalsContact CE-OE2 3.3Å; K262-E270 WeakPolarHBondContact CE-OE2 3.48Å; K262-E270 HydrophobicContact CG-CB 4.12Å; K262-E270 IonicContact NZ-OE1 3.11Å; K262-E270 IonicContact NZ-OE2 3.59Å; K262-E270 PolarHBondContact NZ-OE2 2.93Å; L263-E270 CarbonylContact O-C 3.57Å; L263-E270 WeakPolarHBondContact O-CA 3.43Å; E270-S326 CarbonylContact O-C 3.58Å; E270-S326 WeakPolarHBondContact O-CA 3.35Å; E270-T327 HydrophobicContact CB-CG2 4.08Å; E270-T327 HydrophobicContact CG-CG2 4.38Å; E270-T327 PolarHBondContact N-OG1 3.26Å; E270-T327 PolarHBondContact O-N 2.72Å
271	I	98.6	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.9	-177.6	-51.6	-56.6	0	0	0	109	L263 A265 N269 T273 W318 P321 A338 V341 V342	L263-I271 HydrophobicContact CB-CB 4.39Å; L263-I271 PolarHBondContact N-O 2.93Å; L263-I271 PolarHBondContact O-N 2.91Å; A265-I271 HydrophobicContact CB-CG1 4.41Å; N269-I271 HydrophobicContact CB-CD1 4.19Å; I271-T273 HydrophobicContact CG2-CG2 4.05Å; I271-W318 HydrophobicContact CG2-CB 4.35Å; I271-W318 HydrophobicContact CG2-CE3 4.02Å; I271-P321 HydrophobicContact CD1-CG 4.11Å; I271-A338 HydrophobicContact CD1-CB 3.63Å; I271-A338 HydrophobicContact CG1-CB 3.88Å; I271-V341 HydrophobicContact CG1-CG1 4.38Å; I271-V342 HydrophobicContact CG2-CG2 4.39Å
272	D	98.3	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.5	176.9	-170.9	-2.3	0	0	0	110.3	F166 R260 Y300 W318 N319 G325 S326	F166-D272 HydrophobicContact CD1-CB 4.25Å; F166-D272 HydrophobicContact CE1-CB 3.67Å; F166-D272 HydrophobicContact CE2-CB 4.17Å; F166-D272 HydrophobicContact CZ-CB 3.62Å; R260-D272 IonicContact CZ-OD1 3.63Å; R260-D272 IonicContact CZ-OD2 3.17Å; R260-D272 IonicContact NE-OD1 2.86Å; R260-D272 PolarHBondContact NE-OD1 2.91Å; R260-D272 IonicContact NE-OD2 2.66Å; R260-D272 PolarHBondContact NE-OD2 3.42Å; R260-D272 IonicContact NH2-OD1 3.18Å; R260-D272 IonicContact NH2-OD2 3.57Å; R260-D272 PolarHBondContact NH2-OD2 3.38Å; D272-Y300 HydrophobicContact CB-CE1 4.33Å; D272-Y300 PolarHBondContact OD1-OH 3.22Å; D272-W318 WeakPolarHBondContact O-CA 3.47Å; D272-N319 PolarHBondContact O-N 3.34Å; D272-G325 WeakPolarHBondContact OD2-CA 3.39Å; D272-S326 PolarHBondContact N-OG 3.04Å
273	T	98.6	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.3	-174.3	65.5	0	0	0	0	111.8	R260 N261 L263 I271 G317 W318 V342	R260-T273 CarbonylContact C-O 3.52Å; R260-T273 VanDerWaalsContact CA-O 3.28Å; R260-T273 WeakPolarHBondContact CA-O 3.36Å; R260-T273 WeakPolarHBondContact CG-O 3.38Å; N261-T273 WeakPolarHBondContact CB-OG1 3.2Å; N261-T273 PolarHBondContact N-O 3.16Å; N261-T273 PolarHBondContact O-N 3.13Å; N261-T273 PolarHBondContact O-OG1 2.87Å; L263-T273 HydrophobicContact CD1-CG2 3.57Å; L263-T273 HydrophobicContact CG-CG2 3.83Å; I271-T273 HydrophobicContact CG2-CG2 4.05Å; T273-G317 CarbonylContact C-O 3.55Å; T273-G317 VanDerWaalsContact CA-O 3.24Å; T273-G317 WeakPolarHBondContact CA-O 3.41Å; T273-G317 WeakPolarHBondContact CB-O 3.43Å; T273-W318 HydrophobicContact CG2-CB 3.69Å; T273-V342 HydrophobicContact CG2-CG2 4.2Å
274	M	98.3	Very high	94.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.3	174.8	178.4	58.8	62.9	0	0	110.1	L249 L252 I253 E259 R260 Y300 M305 L316 G317	L249-M274 HydrophobicContact CD1-CE 3.3Å; L252-M274 HydrophobicContact CB-CG 4.22Å; L252-M274 HydrophobicContact CB-SD 4.43Å; L252-M274 HydrophobicContact CD1-CG 4.05Å; I253-M274 HydrophobicContact CD1-CE 4.43Å; I253-M274 HydrophobicContact CG1-CE 3.98Å; E259-M274 PolarHBondContact N-SD 3.16Å; E259-M274 VanDerWaalsContact N-SD 3.37Å; R260-M274 HydrophobicContact CB-CE 3.68Å; R260-M274 HydrophobicContact CG-CE 4.17Å; M274-Y300 HydrophobicContact CB-CD2 3.58Å; M274-Y300 HydrophobicContact CB-CE2 3.31Å; M274-Y300 HydrophobicContact CB-CG 4.43Å; M274-Y300 HydrophobicContact CE-CE2 4.39Å; M274-Y300 HydrophobicContact CG-CD2 4.43Å; M274-Y300 HydrophobicContact CG-CE2 4.16Å; M274-M305 HydrophobicContact CB-CE 4.41Å; M274-M305 HydrophobicContact CG-CE 4.08Å; M274-L316 WeakPolarHBondContact O-CA 3.37Å; M274-G317 PolarHBondContact N-O 2.85Å; M274-G317 PolarHBondContact O-N 2.97Å
275	F	98.4	Very high	94.2	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.8	177.3	175.9	-126.6	0	0	0	111	G258 E259 D277 L289 V315 L316 L350 F352	G258-F275 CarbonylContact C-O 3.54Å; G258-F275 WeakPolarHBondContact CA-O 3.21Å; E259-F275 PolarHBondContact N-O 3.4Å; E259-F275 PolarHBondContact O-N 3.21Å; F275-D277 HydrophobicContact CD1-CB 4.45Å; F275-D277 HydrophobicContact CE1-CB 3.53Å; F275-D277 HydrophobicContact CE2-CB 4.44Å; F275-D277 HydrophobicContact CZ-CB 3.5Å; F275-L289 HydrophobicContact CD2-CD1 4.27Å; F275-L289 HydrophobicContact CE2-CD1 3.89Å; F275-V315 CarbonylContact C-O 3.48Å; F275-V315 WeakPolarHBondContact CA-O 3.36Å; F275-V315 WeakPolarHBondContact CD2-O 3.49Å; F275-L316 HydrophobicContact CB-CD1 4.03Å; F275-L316 HydrophobicContact CD2-CB 4.49Å; F275-L350 HydrophobicContact CB-CD1 4.35Å; F275-L350 HydrophobicContact CD1-CD1 3.95Å; F275-L350 HydrophobicContact CD1-CD2 3.7Å; F275-L350 HydrophobicContact CD1-CG 4.43Å; F275-L350 HydrophobicContact CD2-CD1 3.67Å; F275-L350 HydrophobicContact CE1-CD1 4.14Å; F275-L350 HydrophobicContact CE1-CD2 3.85Å; F275-L350 HydrophobicContact CE1-CG 4.45Å; F275-L350 HydrophobicContact CE2-CD1 3.92Å; F275-L350 HydrophobicContact CG-CD1 3.71Å; F275-L350 HydrophobicContact CG-CD2 4.25Å; F275-L350 HydrophobicContact CZ-CD1 4.15Å; F275-F352 AromaticContact CE2-CE2 3.82Å; F275-F352 HydrophobicContact CE2-CE2 3.82Å; F275-F352 HydrophobicContact CE2-CZ 4.19Å; F275-F352 AromaticContact CZ-CE2 3.69Å; F275-F352 HydrophobicContact CZ-CE2 3.69Å; F275-F352 HydrophobicContact CZ-CZ 4.09Å
276	V	98	Very high	94.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.7	169.8	179.1	0	0	0	0	108.7	Y256 R278 M305 L309 S314 V315	Y256-V276 WeakPolarHBondContact O-CG1 3.4Å; V276-R278 HydrophobicContact CG1-CG 4.41Å; V276-M305 HydrophobicContact CG2-CE 4.48Å; V276-L309 HydrophobicContact CB-CD1 4.01Å; V276-L309 HydrophobicContact CG1-CD1 3.62Å; V276-L309 HydrophobicContact CG2-CD1 4.29Å; V276-S314 WeakPolarHBondContact O-CA 3.33Å; V276-V315 PolarHBondContact N-O 3.19Å; V276-V315 PolarHBondContact O-N 2.93Å
277	D	97.1	Very high	94.2	Very high	48 Å²	48	54.9 Å²	54.9	26%	0.257	30%	0.3	S	S	.	.			trans	-93.7	112.3	-179.1	-164.4	-14.2	0	0	0	111.2	F275 R279	F275-D277 HydrophobicContact CD1-CB 4.45Å; F275-D277 HydrophobicContact CE1-CB 3.53Å; F275-D277 HydrophobicContact CE2-CB 4.44Å; F275-D277 HydrophobicContact CZ-CB 3.5Å; D277-R279 VanDerWaalsContact OD1-CB 3.25Å; D277-R279 WeakPolarHBondContact OD1-CB 3.5Å; D277-R279 VanDerWaalsContact OD1-CG 3.27Å; D277-R279 WeakPolarHBondContact OD1-CG 3.33Å; D277-R279 IonicContact OD1-CZ 3.96Å; D277-R279 PolarHBondContact OD1-N 2.64Å; D277-R279 IonicContact OD1-NE 3.63Å; D277-R279 PolarHBondContact OD1-NE 3.12Å; D277-R279 IonicContact OD1-NH2 2.88Å; D277-R279 IonicContact OD2-CZ 3.51Å; D277-R279 IonicContact OD2-NE 3.38Å; D277-R279 PolarHBondContact OD2-NE 3.22Å; D277-R279 IonicContact OD2-NH2 3.36Å; D277-R279 PolarHBondContact OD2-NH2 3.42Å
278	R	96.1	Very high	94.5	Very high	46 Å²	46	53.4 Å²	53.4	17%	0.174	29%	0.293	C	S	.	.			trans	-100.5	3.4	178.2	-65.2	-61.1	-166.2	141.9	11.4	113.5	V276 K280 D281 Y313 S314	V276-R278 HydrophobicContact CG1-CG 4.41Å; R278-K280 PolarHBondContact O-N 2.89Å; R278-K280 VanDerWaalsContact O-N 3.15Å; R278-D281 WeakPolarHBondContact CD-OD2 3.19Å; R278-D281 IonicContact CZ-OD2 3.53Å; R278-D281 IonicContact NE-OD2 3.75Å; R278-D281 IonicContact NH1-OD2 3.41Å; R278-D281 PolarHBondContact NH1-OD2 3.17Å; R278-D281 PolarHBondContact O-N 3.34Å; R278-D281 VanDerWaalsContact O-N 3.13Å; R278-Y313 WeakPolarHBondContact CG-O 3.34Å; R278-S314 PolarHBondContact N-OG 2.81Å
279	R	95.2	Very high	94.7	Very high	100 Å²	100	51.1 Å²	51.1	38%	0.377	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.8	-179.1	-67.2	176.5	-69.4	-168.3	-0.9	112.8	D277 G286 L350 F352	D277-R279 VanDerWaalsContact OD1-CB 3.25Å; D277-R279 WeakPolarHBondContact OD1-CB 3.5Å; D277-R279 VanDerWaalsContact OD1-CG 3.27Å; D277-R279 WeakPolarHBondContact OD1-CG 3.33Å; D277-R279 IonicContact OD1-CZ 3.96Å; D277-R279 PolarHBondContact OD1-N 2.64Å; D277-R279 IonicContact OD1-NE 3.63Å; D277-R279 PolarHBondContact OD1-NE 3.12Å; D277-R279 IonicContact OD1-NH2 2.88Å; D277-R279 IonicContact OD2-CZ 3.51Å; D277-R279 IonicContact OD2-NE 3.38Å; D277-R279 PolarHBondContact OD2-NE 3.22Å; D277-R279 IonicContact OD2-NH2 3.36Å; D277-R279 PolarHBondContact OD2-NH2 3.42Å; R279-G286 WeakPolarHBondContact CG-O 3.23Å; R279-L350 PolarHBondContact NH1-O 3.26Å; R279-L350 PolarHBondContact NH2-O 2.96Å; R279-F352 HydrophobicContact CG-CZ 4.46Å
280	K	90.4	Very high	94.7	Very high	187 Å²	187	50 Å²	50	81%	0.813	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.9	-179.2	-66	176.8	-176.8	169.1	0	114	R278 G282	R278-K280 PolarHBondContact O-N 2.89Å; R278-K280 VanDerWaalsContact O-N 3.15Å; K280-G282 PolarHBondContact O-N 3.36Å
281	D	89.3	Confident	94.8	Very high	100 Å²	100	47.4 Å²	47.4	54%	0.535	25%	0.251	S	S	.	.	S	Bend	trans	-78.8	-8.5	-174.3	-68.8	12.6	0	0	0	112.5	R278 G283	R278-D281 WeakPolarHBondContact CD-OD2 3.19Å; R278-D281 IonicContact CZ-OD2 3.53Å; R278-D281 IonicContact NE-OD2 3.75Å; R278-D281 IonicContact NH1-OD2 3.41Å; R278-D281 PolarHBondContact NH1-OD2 3.17Å; R278-D281 PolarHBondContact O-N 3.34Å; R278-D281 VanDerWaalsContact O-N 3.13Å; D281-G283 PolarHBondContact O-N 2.9Å
282	G	80.2	Confident	94.8	Very high	75 Å²	75	47.4 Å²	47.4	77%	0.773	25%	0.251	S	S	*	.			trans	74.3	0.3	-179.8	0	0	0	0	0	114.7	K280	K280-G282 PolarHBondContact O-N 3.36Å
283	G	87.1	Confident	94.8	Very high	36 Å²	36	47.4 Å²	47.4	37%	0.371	25%	0.251	S	S	.	.			trans	-72.5	153.1	176.7	0	0	0	0	0	113.2	D281 H285 G286	D281-G283 PolarHBondContact O-N 2.9Å; G283-H285 VanDerWaalsContact C-N 3.27Å; G283-H285 PolarHBondContact O-N 2.86Å; G283-G286 PolarHBondContact O-N 2.91Å
284	P	87.1	Confident	94.7	Very high	117 Å²	117	47.4 Å²	47.4	76%	0.76	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.8	-175.8	26.7	-34.9	0	0	0	113.1
285	H	93.4	Very high	94.6	Very high	76 Å²	76	47.4 Å²	47.4	35%	0.352	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-10.7	-175.2	-59.1	154.5	0	0	0	114.1	G283 R287 T288 G311 Y313	G283-H285 VanDerWaalsContact C-N 3.27Å; G283-H285 PolarHBondContact O-N 2.86Å; H285-R287 PolarHBondContact O-N 3.04Å; H285-R287 VanDerWaalsContact O-N 3.09Å; H285-T288 PolarHBondContact O-N 3.02Å; H285-G311 PolarHBondContact ND1-O 2.95Å; H285-Y313 HydrophobicContact CB-CD1 3.77Å; H285-Y313 HydrophobicContact CB-CD2 4.14Å; H285-Y313 HydrophobicContact CB-CE1 3.84Å; H285-Y313 HydrophobicContact CB-CE2 4.21Å; H285-Y313 HydrophobicContact CB-CG 3.92Å; H285-Y313 AromaticContact CG-CE1 3.94Å; H285-Y313 AromaticContact CG-CE2 3.97Å; H285-Y313 AromaticContact CG-CZ 3.74Å; H285-Y313 AromaticContact ND1-CE2 3.71Å; H285-Y313 AromaticContact ND1-CZ 3.83Å
286	G	94	Very high	94.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.01	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.9	-173.1	0	0	0	0	0	114.3	R279 G283 S314	R279-G286 WeakPolarHBondContact CG-O 3.23Å; G283-G286 PolarHBondContact O-N 2.91Å; G286-S314 PolarHBondContact O-OG 3.38Å
287	R	95.6	Very high	94.2	Very high	180 Å²	180	50.8 Å²	50.8	68%	0.679	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.7	176.4	-63.9	-177.4	66.6	102.8	2.1	113.6	H285 F352	H285-R287 PolarHBondContact O-N 3.04Å; H285-R287 VanDerWaalsContact O-N 3.09Å; R287-F352 WeakPolarHBondContact O-CE1 3.23Å
288	T	98	Very high	94	Very high	23 Å²	23	48.8 Å²	48.8	14%	0.141	27%	0.265	C	S	.	.	S	Bend	trans	-89.3	128.3	177.4	-60.5	0	0	0	0	109	H285 Y313 S314 D356 V358	H285-T288 PolarHBondContact O-N 3.02Å; T288-Y313 HydrophobicContact CG2-CD1 3.89Å; T288-Y313 HydrophobicContact CG2-CE1 4.05Å; T288-S314 PolarHBondContact O-N 2.87Å; T288-D356 WeakPolarHBondContact CA-O 3.23Å; T288-V358 HydrophobicContact CG2-CG2 3.71Å
289	L	98.7	Very high	94	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.7	172.5	178.5	66.3	0	0	0	109.8	F275 I291 S314 L316 A346 F352 D356 I357 V358	F275-L289 HydrophobicContact CD2-CD1 4.27Å; F275-L289 HydrophobicContact CE2-CD1 3.89Å; L289-I291 HydrophobicContact CD2-CD1 4.23Å; L289-I291 HydrophobicContact CD2-CG1 3.93Å; L289-I291 HydrophobicContact CG-CG1 4.1Å; L289-S314 CarbonylContact C-O 3.26Å; L289-S314 WeakPolarHBondContact CA-O 3.38Å; L289-L316 HydrophobicContact CD1-CB 3.94Å; L289-L316 HydrophobicContact CD2-CB 4.47Å; L289-A346 HydrophobicContact CD2-CB 3.51Å; L289-F352 HydrophobicContact CB-CB 4.49Å; L289-F352 HydrophobicContact CB-CD1 3.58Å; L289-F352 HydrophobicContact CB-CD2 4.17Å; L289-F352 HydrophobicContact CB-CE1 3.71Å; L289-F352 HydrophobicContact CB-CE2 4.29Å; L289-F352 HydrophobicContact CB-CG 3.82Å; L289-F352 HydrophobicContact CB-CZ 4.07Å; L289-F352 HydrophobicContact CD1-CE2 4.19Å; L289-F352 HydrophobicContact CD1-CZ 4.27Å; L289-F352 HydrophobicContact CD2-CB 4.37Å; L289-F352 HydrophobicContact CD2-CD2 3.83Å; L289-F352 HydrophobicContact CD2-CE2 4.26Å; L289-F352 HydrophobicContact CD2-CG 4.04Å; L289-F352 HydrophobicContact CG-CD2 4.43Å; L289-F352 HydrophobicContact CG-CE2 4.5Å; L289-F352 HydrophobicContact CG-CG 4.49Å; L289-D356 PolarHBondContact N-O 2.81Å; L289-I357 HydrophobicContact CB-CG1 4.19Å; L289-I357 HydrophobicContact CD2-CD1 4.42Å; L289-I357 HydrophobicContact CD2-CG1 4.21Å; L289-I357 CarbonylContact O-C 2.94Å; L289-I357 WeakPolarHBondContact O-CA 3.41Å; L289-V358 PolarHBondContact O-N 3.1Å
290	V	98.8	Very high	94.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.1	168.3	-173	0	0	0	0	109	P308 Y313 S314 V315 L316 V358 F560	V290-P308 HydrophobicContact CB-CB 3.79Å; V290-P308 HydrophobicContact CB-CG 4.07Å; V290-P308 HydrophobicContact CG1-CB 3.82Å; V290-P308 HydrophobicContact CG1-CG 3.8Å; V290-P308 HydrophobicContact CG2-CB 3.76Å; V290-Y313 HydrophobicContact CG2-CD1 3.75Å; V290-Y313 HydrophobicContact CG2-CG 3.75Å; V290-S314 PolarHBondContact N-O 2.94Å; V290-V315 WeakPolarHBondContact O-CA 3.48Å; V290-L316 PolarHBondContact O-N 3.18Å; V290-V358 CarbonylContact C-O 3.56Å; V290-V358 WeakPolarHBondContact CA-O 3.2Å; V290-V358 HydrophobicContact CG2-CB 4.3Å; V290-F560 HydrophobicContact CG1-CE2 4.47Å; V290-F560 HydrophobicContact CG1-CZ 3.9Å; V290-F560 HydrophobicContact CG2-CE1 4.06Å; V290-F560 HydrophobicContact CG2-CZ 3.95Å
291	I	98.9	Very high	94.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.3	172.1	-55.9	178.8	0	0	0	108	L289 L316 M339 V342 I343 A346 I357 V358 I359 Y360	L289-I291 HydrophobicContact CD2-CD1 4.23Å; L289-I291 HydrophobicContact CD2-CG1 3.93Å; L289-I291 HydrophobicContact CG-CG1 4.1Å; I291-L316 WeakPolarHBondContact CA-O 3.39Å; I291-L316 HydrophobicContact CG1-CB 4.3Å; I291-L316 HydrophobicContact CG1-CD2 4.38Å; I291-M339 HydrophobicContact CG2-CE 4.29Å; I291-M339 HydrophobicContact CG2-SD 4.33Å; I291-V342 HydrophobicContact CD1-CG1 4.43Å; I291-V342 HydrophobicContact CG2-CG1 3.72Å; I291-I343 HydrophobicContact CD1-CG1 4.14Å; I291-A346 HydrophobicContact CD1-CB 4.23Å; I291-I357 HydrophobicContact CD1-CG2 3.72Å; I291-I357 HydrophobicContact CG1-CG2 3.98Å; I291-V358 PolarHBondContact N-O 3.05Å; I291-I359 HydrophobicContact CB-CD1 3.8Å; I291-I359 HydrophobicContact CD1-CD1 4.01Å; I291-I359 HydrophobicContact CG1-CD1 4.25Å; I291-I359 HydrophobicContact CG2-CD1 4.43Å; I291-Y360 PolarHBondContact O-N 3.19Å
292	C	98.8	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.5	-170.8	-65	0	0	0	0	111.8	M305 L316 W318 Y360	C292-M305 HydrophobicContact CB-CB 3.95Å; C292-M305 VanDerWaalsContact SG-CA 3.57Å; C292-L316 PolarHBondContact N-O 2.76Å; C292-W318 PolarHBondContact O-NE1 3.4Å; C292-Y360 CarbonylContact C-O 3.56Å; C292-Y360 WeakPolarHBondContact CA-O 3.1Å
293	C	98.5	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.1	174	-45.8	0	0	0	0	109.3	W318 M339 Y360 A361 W362	C293-W318 HydrophobicContact CB-CZ2 4.49Å; C293-M339 WeakPolarHBondContact SG-CE 3.33Å; C293-Y360 PolarHBondContact N-O 2.82Å; C293-A361 HydrophobicContact CB-CB 3.78Å; C293-A361 WeakPolarHBondContact O-CA 3.1Å; C293-W362 PolarHBondContact O-N 2.88Å
294	E	97.3	Very high	95.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-76.7	169.4	-174.6	-69.9	-65.3	166.2	0	0	113.5	G303 C304 H320 G365	E294-G303 VanDerWaalsContact OE1-CA 3.31Å; E294-G303 WeakPolarHBondContact OE1-CA 3.48Å; E294-G303 WeakPolarHBondContact OE2-CA 3.23Å; E294-C304 VanDerWaalsContact CD-N 3.34Å; E294-C304 VanDerWaalsContact CD-SG 3.52Å; E294-C304 PolarHBondContact OE1-N 3.46Å; E294-C304 PolarHBondContact OE1-SG 3.41Å; E294-C304 VanDerWaalsContact OE1-SG 3.38Å; E294-C304 PolarHBondContact OE2-N 3.47Å; E294-C304 VanDerWaalsContact OE2-N 3.12Å; E294-H320 PolarHBondContact O-CE1 3.03Å; E294-H320 PolarHBondContact O-NE2 3.33Å; E294-G365 VanDerWaalsContact O-CA 3.23Å; E294-G365 WeakPolarHBondContact O-CA 3.37Å; E294-G365 PolarHBondContact O-N 3.19Å
295	G	96.6	Very high	96.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.			trans	-80.7	179.4	172.7	0	0	0	0	0	112.9	A297 G298 H320 W362	G295-A297 PolarHBondContact O-N 3.35Å; G295-A297 VanDerWaalsContact O-N 3.09Å; G295-G298 PolarHBondContact O-N 2.77Å; G295-H320 PolarHBondContact O-NE2 3.14Å; G295-W362 VanDerWaalsContact CA-CE3 3.5Å
296	N	93.8	Very high	96.2	Very high	43 Å²	43	19.4 Å²	19.4	23%	0.23	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.1	-173.2	67.1	-5.4	0	0	0	116.2	L229 Y230 P231 G232 F323 I364	L229-N296 WeakPolarHBondContact O-CB 3.49Å; L229-N296 PolarHBondContact O-ND2 2.84Å; Y230-N296 CarbonylContact C-O 3.51Å; Y230-N296 HydrophobicContact CD1-CB 4.34Å; P231-N296 VanDerWaalsContact CD-O 3.24Å; P231-N296 WeakPolarHBondContact CD-O 3.09Å; G232-N296 PolarHBondContact N-O 3.1Å; N296-F323 VanDerWaalsContact O-CZ 3.31Å; N296-F323 WeakPolarHBondContact O-CZ 3.46Å; N296-I364 HydrophobicContact CB-CB 4.47Å; N296-I364 HydrophobicContact CB-CD1 4.38Å; N296-I364 HydrophobicContact CB-CG2 3.79Å; N296-I364 VanDerWaalsContact N-CG2 3.33Å
297	A	93.2	Very high	96.3	Very high	35 Å²	35	19.7 Å²	19.7	29%	0.289	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	15.6	168.8	0	0	0	0	0	111.1	P231 G295 F299	P231-A297 HydrophobicContact CG-CB 4.15Å; G295-A297 PolarHBondContact O-N 3.35Å; G295-A297 VanDerWaalsContact O-N 3.09Å; A297-F299 WeakPolarHBondContact O-CD2 3.48Å; A297-F299 WeakPolarHBondContact O-CE2 3.31Å
298	G	93.1	Very high	96.4	Very high	6 Å²	6	11.1 Å²	11.1	6%	0.062	7%	0.073	C	C	.	.			trans	-83.9	147.8	178.8	0	0	0	0	0	111.1	G295 F323	G295-G298 PolarHBondContact O-N 2.77Å; G298-F323 VanDerWaalsContact O-CD1 3.32Å; G298-F323 WeakPolarHBondContact O-CD1 3.5Å; G298-F323 WeakPolarHBondContact O-CE1 3.26Å
299	F	96.9	Very high	96.3	Very high	1 Å²	1	10 Å²	10	0%	0.004	7%	0.067	C	C	.	.			trans	-136.8	136.5	177.8	-63.7	-92.3	0	0	0	107	Q238 M241 L245 A297 E301 V302 G303 N319 F323 A324	Q238-F299 HydrophobicContact CG-CE1 4.25Å; Q238-F299 HydrophobicContact CG-CZ 4.09Å; M241-F299 HydrophobicContact CE-CD2 3.58Å; M241-F299 HydrophobicContact CE-CE2 3.51Å; M241-F299 HydrophobicContact SD-CD2 4.24Å; M241-F299 HydrophobicContact SD-CE2 3.52Å; M241-F299 VanDerWaalsContact SD-CE2 3.52Å; M241-F299 HydrophobicContact SD-CZ 4.3Å; L245-F299 HydrophobicContact CD1-CD1 3.97Å; L245-F299 HydrophobicContact CD1-CE1 4.16Å; L245-F299 HydrophobicContact CD1-CG 4.26Å; L245-F299 HydrophobicContact CD2-CB 3.5Å; L245-F299 HydrophobicContact CD2-CD1 4.12Å; L245-F299 HydrophobicContact CD2-CD2 3.92Å; L245-F299 HydrophobicContact CD2-CG 3.58Å; A297-F299 WeakPolarHBondContact O-CD2 3.48Å; A297-F299 WeakPolarHBondContact O-CE2 3.31Å; F299-E301 WeakPolarHBondContact CB-OE2 3.47Å; F299-E301 PolarHBondContact O-N 2.85Å; F299-V302 PolarHBondContact O-N 2.77Å; F299-V302 VanDerWaalsContact O-N 3.1Å; F299-G303 VanDerWaalsContact O-CA 3.28Å; F299-G303 WeakPolarHBondContact O-CA 3.45Å; F299-G303 PolarHBondContact O-N 3.05Å; F299-N319 WeakPolarHBondContact CA-OD1 3.48Å; F299-F323 HydrophobicContact CD1-CB 4.25Å; F299-F323 HydrophobicContact CD1-CD1 4.02Å; F299-F323 HydrophobicContact CE1-CB 3.92Å; F299-F323 AromaticContact CE1-CD1 3.67Å; F299-F323 HydrophobicContact CE1-CD1 3.67Å; F299-F323 HydrophobicContact CE1-CG 4.12Å; F299-F323 AromaticContact CZ-CD1 3.98Å; F299-F323 HydrophobicContact CZ-CD1 3.98Å; F299-A324 HydrophobicContact CD1-CB 3.89Å; F299-A324 HydrophobicContact CE1-CB 4.03Å
300	Y	96.9	Very high	96.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.8	-175.9	75.1	-108.3	0	0	0	111.5	L249 L252 D272 M274 V302 M305 N319	L249-Y300 HydrophobicContact CD1-CE2 4.49Å; L252-Y300 HydrophobicContact CD1-CD2 4.1Å; L252-Y300 HydrophobicContact CD1-CE2 4.28Å; D272-Y300 HydrophobicContact CB-CE1 4.33Å; D272-Y300 PolarHBondContact OD1-OH 3.22Å; M274-Y300 HydrophobicContact CB-CD2 3.58Å; M274-Y300 HydrophobicContact CB-CE2 3.31Å; M274-Y300 HydrophobicContact CB-CG 4.43Å; M274-Y300 HydrophobicContact CE-CE2 4.39Å; M274-Y300 HydrophobicContact CG-CD2 4.43Å; M274-Y300 HydrophobicContact CG-CE2 4.16Å; Y300-V302 PolarHBondContact O-N 2.96Å; Y300-M305 HydrophobicContact CD2-SD 3.74Å; Y300-M305 HydrophobicContact CG-SD 4.21Å; Y300-M305 WeakPolarHBondContact O-CG 3.47Å; Y300-N319 HydrophobicContact CD1-CB 4.14Å; Y300-N319 VanDerWaalsContact CD1-ND2 3.29Å; Y300-N319 WeakPolarHBondContact CD1-ND2 3.43Å; Y300-N319 WeakPolarHBondContact CD1-OD1 3.29Å; Y300-N319 HydrophobicContact CE1-CB 4.38Å; Y300-N319 WeakPolarHBondContact CE1-ND2 3.48Å; Y300-N319 PolarHBondContact N-OD1 2.7Å; Y300-N319 VanDerWaalsContact N-OD1 3.08Å
301	E	96.7	Very high	95.9	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.033	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.1	-177.4	-66.2	90.7	147.5	0	0	112.9	L245 G248 L249 F299 N319	L245-E301 HydrophobicContact CB-CB 4.41Å; L245-E301 HydrophobicContact CB-CG 4.4Å; L245-E301 HydrophobicContact CD2-CB 4.14Å; G248-E301 CarbonylContact C-O 3.58Å; G248-E301 WeakPolarHBondContact CA-O 3.1Å; L249-E301 HydrophobicContact CB-CG 4.1Å; F299-E301 WeakPolarHBondContact CB-OE2 3.47Å; F299-E301 PolarHBondContact O-N 2.85Å; E301-N319 PolarHBondContact OE1-ND2 2.85Å; E301-N319 PolarHBondContact OE2-ND2 3.3Å; E301-N319 PolarHBondContact OE2-OD1 3.04Å
302	V	94.5	Very high	95.7	Very high	55 Å²	55	18.1 Å²	18.1	33%	0.333	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.2	10.6	-175.4	-65.6	0	0	0	0	113.7	M244 L245 F299 Y300	M244-V302 HydrophobicContact CG-CB 4.42Å; M244-V302 HydrophobicContact CG-CG1 3.74Å; M244-V302 HydrophobicContact CG-CG2 4.27Å; M244-V302 HydrophobicContact SD-CG1 4.49Å; M244-V302 HydrophobicContact SD-CG2 4.1Å; L245-V302 HydrophobicContact CD2-CG2 4.04Å; F299-V302 PolarHBondContact O-N 2.77Å; F299-V302 VanDerWaalsContact O-N 3.1Å; Y300-V302 PolarHBondContact O-N 2.96Å
303	G	93.4	Very high	95.7	Very high	19 Å²	19	18.9 Å²	18.9	20%	0.196	12%	0.121	C	C	.	.	S	Bend	trans	-101	-148.1	-169	0	0	0	0	0	114.2	E294 F299 M305 N306	E294-G303 VanDerWaalsContact OE1-CA 3.31Å; E294-G303 WeakPolarHBondContact OE1-CA 3.48Å; E294-G303 WeakPolarHBondContact OE2-CA 3.23Å; F299-G303 VanDerWaalsContact O-CA 3.28Å; F299-G303 WeakPolarHBondContact O-CA 3.45Å; F299-G303 PolarHBondContact O-N 3.05Å; G303-M305 PolarHBondContact O-N 3.28Å; G303-N306 PolarHBondContact O-N 3.21Å; G303-N306 PolarHBondContact O-ND2 2.87Å
304	C	94.4	Very high	95.7	Very high	9 Å²	9	18.9 Å²	18.9	6%	0.061	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.9	-170.8	72.8	0	0	0	0	113.5	E294 N306 T307 P308 Y360 W362	E294-C304 VanDerWaalsContact CD-N 3.34Å; E294-C304 VanDerWaalsContact CD-SG 3.52Å; E294-C304 PolarHBondContact OE1-N 3.46Å; E294-C304 PolarHBondContact OE1-SG 3.41Å; E294-C304 VanDerWaalsContact OE1-SG 3.38Å; E294-C304 PolarHBondContact OE2-N 3.47Å; E294-C304 VanDerWaalsContact OE2-N 3.12Å; C304-N306 PolarHBondContact O-N 3.05Å; C304-T307 PolarHBondContact O-N 3.21Å; C304-P308 WeakPolarHBondContact O-CD 3.43Å; C304-Y360 HydrophobicContact CB-CD1 4.34Å; C304-Y360 HydrophobicContact CB-CE1 3.69Å; C304-Y360 WeakPolarHBondContact O-CE1 3.47Å; C304-W362 HydrophobicContact CB-CB 4.17Å
305	M	95.8	Very high	95.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.8	176.8	83	172.2	-74.3	0	0	114.5	L252 M274 V276 C292 Y300 G303 T307 P308 L309 V315	L252-M305 HydrophobicContact CD1-CE 4.23Å; L252-M305 HydrophobicContact CD1-SD 3.76Å; L252-M305 HydrophobicContact CD2-CE 3.89Å; L252-M305 HydrophobicContact CD2-SD 4.26Å; M274-M305 HydrophobicContact CB-CE 4.41Å; M274-M305 HydrophobicContact CG-CE 4.08Å; V276-M305 HydrophobicContact CG2-CE 4.48Å; C292-M305 HydrophobicContact CB-CB 3.95Å; C292-M305 VanDerWaalsContact SG-CA 3.57Å; Y300-M305 HydrophobicContact CD2-SD 3.74Å; Y300-M305 HydrophobicContact CG-SD 4.21Å; Y300-M305 WeakPolarHBondContact O-CG 3.47Å; G303-M305 PolarHBondContact O-N 3.28Å; M305-T307 VanDerWaalsContact C-N 3.32Å; M305-T307 PolarHBondContact O-N 2.89Å; M305-P308 WeakPolarHBondContact O-CD 3.42Å; M305-P308 WeakPolarHBondContact O-CG 3.16Å; M305-L309 VanDerWaalsContact O-CB 3.26Å; M305-L309 WeakPolarHBondContact O-CB 3.44Å; M305-L309 PolarHBondContact O-N 3.29Å; M305-V315 HydrophobicContact CB-CG1 3.81Å; M305-V315 HydrophobicContact CE-CG1 4.06Å
306	N	95.3	Very high	95.9	Very high	29 Å²	29	18.9 Å²	18.9	16%	0.155	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-35.6	177.6	-70.8	-61	0	0	0	112.3	G303 C304 L309 E310	G303-N306 PolarHBondContact O-N 3.21Å; G303-N306 PolarHBondContact O-ND2 2.87Å; C304-N306 PolarHBondContact O-N 3.05Å; N306-L309 WeakPolarHBondContact O-CB 3.48Å; N306-L309 PolarHBondContact O-N 3.46Å; N306-E310 WeakPolarHBondContact O-CB 3.37Å; N306-E310 WeakPolarHBondContact O-CG 3.49Å; N306-E310 PolarHBondContact O-N 3.04Å
307	T	96.6	Very high	96.1	Very high	6 Å²	6	16.8 Å²	16.8	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-58.4	-57.4	-177.9	-59.2	0	0	0	0	113.1	C304 M305 L309 G311 Y360 L555 A557 F560	C304-T307 PolarHBondContact O-N 3.21Å; M305-T307 VanDerWaalsContact C-N 3.32Å; M305-T307 PolarHBondContact O-N 2.89Å; T307-L309 VanDerWaalsContact C-N 3.28Å; T307-L309 PolarHBondContact O-N 2.87Å; T307-G311 PolarHBondContact O-N 2.74Å; T307-Y360 HydrophobicContact CG2-CE1 4.43Å; T307-L555 WeakPolarHBondContact CB-O 3.32Å; T307-L555 HydrophobicContact CG2-CB 4.19Å; T307-L555 HydrophobicContact CG2-CD2 4.38Å; T307-L555 HydrophobicContact CG2-CG 4.36Å; T307-L555 WeakPolarHBondContact CG2-O 3.46Å; T307-L555 PolarHBondContact OG1-O 2.98Å; T307-A557 WeakPolarHBondContact O-CB 3.35Å; T307-F560 HydrophobicContact CG2-CB 3.78Å; T307-F560 HydrophobicContact CG2-CD2 4.38Å; T307-F560 HydrophobicContact CG2-CG 4.29Å
308	P	97.4	Very high	96.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.2	-26.9	175.6	28	-35.4	0	0	0	112.6	V290 C304 M305 G311 G312 Y313 V315 Y360 F560	V290-P308 HydrophobicContact CB-CB 3.79Å; V290-P308 HydrophobicContact CB-CG 4.07Å; V290-P308 HydrophobicContact CG1-CB 3.82Å; V290-P308 HydrophobicContact CG1-CG 3.8Å; V290-P308 HydrophobicContact CG2-CB 3.76Å; C304-P308 WeakPolarHBondContact O-CD 3.43Å; M305-P308 WeakPolarHBondContact O-CD 3.42Å; M305-P308 WeakPolarHBondContact O-CG 3.16Å; P308-G311 CarbonylContact O-C 3.57Å; P308-G311 WeakPolarHBondContact O-CA 3.32Å; P308-G311 PolarHBondContact O-N 3.25Å; P308-G311 VanDerWaalsContact O-N 3.14Å; P308-G312 PolarHBondContact O-N 3.42Å; P308-Y313 HydrophobicContact CB-CD2 4.26Å; P308-Y313 HydrophobicContact CB-CG 4.48Å; P308-Y313 WeakPolarHBondContact O-CB 3.19Å; P308-Y313 WeakPolarHBondContact O-CD2 3.3Å; P308-Y313 PolarHBondContact O-N 3.5Å; P308-Y313 VanDerWaalsContact O-N 3.14Å; P308-V315 HydrophobicContact CB-CG2 4Å; P308-V315 HydrophobicContact CG-CG1 4.1Å; P308-V315 HydrophobicContact CG-CG2 3.91Å; P308-Y360 HydrophobicContact CG-CD1 4.36Å; P308-F560 HydrophobicContact CB-CD1 4.39Å; P308-F560 HydrophobicContact CB-CE1 4.09Å; P308-F560 HydrophobicContact CB-CZ 4.25Å
309	L	95.9	Very high	96.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-42.1	178.3	-179.6	60.9	0	0	0	111.9	L252 Y256 V276 M305 N306 T307 G311 G312 V315	L252-L309 HydrophobicContact CD2-CD2 3.77Å; Y256-L309 HydrophobicContact CD1-CD1 4.1Å; Y256-L309 HydrophobicContact CD1-CD2 3.95Å; Y256-L309 HydrophobicContact CD1-CG 4.08Å; Y256-L309 HydrophobicContact CD2-CD2 3.78Å; Y256-L309 HydrophobicContact CE1-CD2 4.09Å; Y256-L309 HydrophobicContact CE1-CG 4.1Å; Y256-L309 HydrophobicContact CE2-CD2 3.91Å; Y256-L309 HydrophobicContact CG-CD1 4.44Å; Y256-L309 HydrophobicContact CG-CD2 3.77Å; Y256-L309 HydrophobicContact CG-CG 4.39Å; V276-L309 HydrophobicContact CB-CD1 4.01Å; V276-L309 HydrophobicContact CG1-CD1 3.62Å; V276-L309 HydrophobicContact CG2-CD1 4.29Å; M305-L309 VanDerWaalsContact O-CB 3.26Å; M305-L309 WeakPolarHBondContact O-CB 3.44Å; M305-L309 PolarHBondContact O-N 3.29Å; N306-L309 WeakPolarHBondContact O-CB 3.48Å; N306-L309 PolarHBondContact O-N 3.46Å; T307-L309 VanDerWaalsContact C-N 3.28Å; T307-L309 PolarHBondContact O-N 2.87Å; L309-G311 VanDerWaalsContact C-N 3.26Å; L309-G312 PolarHBondContact O-N 2.83Å; L309-G312 VanDerWaalsContact O-N 3.17Å; L309-V315 HydrophobicContact CB-CG2 3.98Å; L309-V315 HydrophobicContact CD1-CG2 4.43Å
310	E	95.1	Very high	96.7	Very high	119 Å²	119	14.9 Å²	14.9	56%	0.556	9%	0.093	S	C	*	.	H	α-helix	trans	-66	-30.3	171.1	-74.5	176.3	-172.2	0	0	111.8	N306 G312 A557	N306-E310 WeakPolarHBondContact O-CB 3.37Å; N306-E310 WeakPolarHBondContact O-CG 3.49Å; N306-E310 PolarHBondContact O-N 3.04Å; E310-G312 PolarHBondContact O-N 3.31Å; E310-A557 HydrophobicContact CB-CB 3.73Å
311	G	94.8	Very high	96.7	Very high	22 Å²	22	14.9 Å²	14.9	23%	0.227	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-2.3	171.5	0	0	0	0	0	115.1	H285 T307 P308 L309	H285-G311 PolarHBondContact ND1-O 2.95Å; T307-G311 PolarHBondContact O-N 2.74Å; P308-G311 CarbonylContact O-C 3.57Å; P308-G311 WeakPolarHBondContact O-CA 3.32Å; P308-G311 PolarHBondContact O-N 3.25Å; P308-G311 VanDerWaalsContact O-N 3.14Å; L309-G311 VanDerWaalsContact C-N 3.26Å
312	G	95.6	Very high	96.7	Very high	28 Å²	28	15.2 Å²	15.2	29%	0.289	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	13.8	176.7	0	0	0	0	0	115.3	P308 L309 E310	P308-G312 PolarHBondContact O-N 3.42Å; L309-G312 PolarHBondContact O-N 2.83Å; L309-G312 VanDerWaalsContact O-N 3.17Å; E310-G312 PolarHBondContact O-N 3.31Å
313	Y	98	Very high	96.8	Very high	16 Å²	16	12.6 Å²	12.6	6%	0.063	8%	0.082	C	C	.	.			trans	-78.9	155.5	176.9	-67.2	-94.1	0	0	0	111.7	R278 H285 T288 V290 P308 V315 F560	R278-Y313 WeakPolarHBondContact CG-O 3.34Å; H285-Y313 HydrophobicContact CB-CD1 3.77Å; H285-Y313 HydrophobicContact CB-CD2 4.14Å; H285-Y313 HydrophobicContact CB-CE1 3.84Å; H285-Y313 HydrophobicContact CB-CE2 4.21Å; H285-Y313 HydrophobicContact CB-CG 3.92Å; H285-Y313 AromaticContact CG-CE1 3.94Å; H285-Y313 AromaticContact CG-CE2 3.97Å; H285-Y313 AromaticContact CG-CZ 3.74Å; H285-Y313 AromaticContact ND1-CE2 3.71Å; H285-Y313 AromaticContact ND1-CZ 3.83Å; T288-Y313 HydrophobicContact CG2-CD1 3.89Å; T288-Y313 HydrophobicContact CG2-CE1 4.05Å; V290-Y313 HydrophobicContact CG2-CD1 3.75Å; V290-Y313 HydrophobicContact CG2-CG 3.75Å; P308-Y313 HydrophobicContact CB-CD2 4.26Å; P308-Y313 HydrophobicContact CB-CG 4.48Å; P308-Y313 WeakPolarHBondContact O-CB 3.19Å; P308-Y313 WeakPolarHBondContact O-CD2 3.3Å; P308-Y313 PolarHBondContact O-N 3.5Å; P308-Y313 VanDerWaalsContact O-N 3.14Å; Y313-V315 WeakPolarHBondContact O-CG2 3.42Å; Y313-F560 HydrophobicContact CD2-CD1 4.31Å; Y313-F560 HydrophobicContact CD2-CE1 4.13Å; Y313-F560 HydrophobicContact CE1-CE1 4.46Å; Y313-F560 AromaticContact CE2-CD1 3.79Å; Y313-F560 HydrophobicContact CE2-CD1 3.79Å; Y313-F560 AromaticContact CE2-CE1 3.78Å; Y313-F560 HydrophobicContact CE2-CE1 3.78Å; Y313-F560 AromaticContact CZ-CE1 3.97Å
314	S	98.5	Very high	96.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139	158.1	-69.8	0	0	0	0	108.2	V276 R278 G286 T288 L289 V290	V276-S314 WeakPolarHBondContact O-CA 3.33Å; R278-S314 PolarHBondContact N-OG 2.81Å; G286-S314 PolarHBondContact O-OG 3.38Å; T288-S314 PolarHBondContact O-N 2.87Å; L289-S314 CarbonylContact C-O 3.26Å; L289-S314 WeakPolarHBondContact CA-O 3.38Å; V290-S314 PolarHBondContact N-O 2.94Å
315	V	98.6	Very high	96.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.7	-172.9	-172.9	0	0	0	0	111.2	F275 V276 V290 M305 P308 L309 Y313	F275-V315 CarbonylContact C-O 3.48Å; F275-V315 WeakPolarHBondContact CA-O 3.36Å; F275-V315 WeakPolarHBondContact CD2-O 3.49Å; V276-V315 PolarHBondContact N-O 3.19Å; V276-V315 PolarHBondContact O-N 2.93Å; V290-V315 WeakPolarHBondContact O-CA 3.48Å; M305-V315 HydrophobicContact CB-CG1 3.81Å; M305-V315 HydrophobicContact CE-CG1 4.06Å; P308-V315 HydrophobicContact CB-CG2 4Å; P308-V315 HydrophobicContact CG-CG1 4.1Å; P308-V315 HydrophobicContact CG-CG2 3.91Å; L309-V315 HydrophobicContact CB-CG2 3.98Å; L309-V315 HydrophobicContact CD1-CG2 4.43Å; Y313-V315 WeakPolarHBondContact O-CG2 3.42Å
316	L	98.8	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	103.8	170.6	179	60.4	0	0	0	109.3	M274 F275 L289 V290 I291 C292 V342 F345 A346 L350	M274-L316 WeakPolarHBondContact O-CA 3.37Å; F275-L316 HydrophobicContact CB-CD1 4.03Å; F275-L316 HydrophobicContact CD2-CB 4.49Å; L289-L316 HydrophobicContact CD1-CB 3.94Å; L289-L316 HydrophobicContact CD2-CB 4.47Å; V290-L316 PolarHBondContact O-N 3.18Å; I291-L316 WeakPolarHBondContact CA-O 3.39Å; I291-L316 HydrophobicContact CG1-CB 4.3Å; I291-L316 HydrophobicContact CG1-CD2 4.38Å; C292-L316 PolarHBondContact N-O 2.76Å; L316-V342 HydrophobicContact CD2-CG1 3.64Å; L316-V342 HydrophobicContact CG-CG1 4.15Å; L316-F345 HydrophobicContact CD1-CE1 4.45Å; L316-F345 HydrophobicContact CD2-CD1 4.29Å; L316-A346 HydrophobicContact CD2-CB 4.16Å; L316-L350 HydrophobicContact CD2-CD1 4.33Å
317	G	98.4	Very high	97.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	148.5	170.9	0	0	0	0	0	111.1	T273 M274	T273-G317 CarbonylContact C-O 3.55Å; T273-G317 VanDerWaalsContact CA-O 3.24Å; T273-G317 WeakPolarHBondContact CA-O 3.41Å; T273-G317 WeakPolarHBondContact CB-O 3.43Å; M274-G317 PolarHBondContact N-O 2.85Å; M274-G317 PolarHBondContact O-N 2.97Å
318	W	98.6	Very high	97	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.3	176.8	66	-76.4	0	0	0	111	I271 D272 T273 C292 C293 H320 A338 M339 V342 T368	I271-W318 HydrophobicContact CG2-CB 4.35Å; I271-W318 HydrophobicContact CG2-CE3 4.02Å; D272-W318 WeakPolarHBondContact O-CA 3.47Å; T273-W318 HydrophobicContact CG2-CB 3.69Å; C292-W318 PolarHBondContact O-NE1 3.4Å; C293-W318 HydrophobicContact CB-CZ2 4.49Å; W318-H320 AromaticContact CH2-ND1 3.97Å; W318-A338 HydrophobicContact CE3-CB 4.25Å; W318-A338 HydrophobicContact CH2-CB 4.43Å; W318-A338 HydrophobicContact CZ3-CB 3.69Å; W318-M339 HydrophobicContact CZ2-CE 3.92Å; W318-V342 HydrophobicContact CB-CG2 4Å; W318-V342 HydrophobicContact CD2-CG2 4.22Å; W318-V342 HydrophobicContact CG-CG1 4.42Å; W318-V342 HydrophobicContact CG-CG2 3.93Å; W318-T368 HydrophobicContact CH2-CG2 3.8Å; W318-T368 HydrophobicContact CZ2-CG2 3.68Å
319	N	98.3	Very high	97	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-98.5	132.9	178.1	-82.6	-30.1	0	0	0	110.6	D272 F299 Y300 E301 F323 S326	D272-N319 PolarHBondContact O-N 3.34Å; F299-N319 WeakPolarHBondContact CA-OD1 3.48Å; Y300-N319 HydrophobicContact CD1-CB 4.14Å; Y300-N319 VanDerWaalsContact CD1-ND2 3.29Å; Y300-N319 WeakPolarHBondContact CD1-ND2 3.43Å; Y300-N319 WeakPolarHBondContact CD1-OD1 3.29Å; Y300-N319 HydrophobicContact CE1-CB 4.38Å; Y300-N319 WeakPolarHBondContact CE1-ND2 3.48Å; Y300-N319 PolarHBondContact N-OD1 2.7Å; Y300-N319 VanDerWaalsContact N-OD1 3.08Å; E301-N319 PolarHBondContact OE1-ND2 2.85Å; E301-N319 PolarHBondContact OE2-ND2 3.3Å; E301-N319 PolarHBondContact OE2-OD1 3.04Å; N319-F323 HydrophobicContact CB-CB 4.06Å; N319-S326 WeakPolarHBondContact CB-OG 3.28Å; N319-S326 PolarHBondContact O-OG 3.35Å
320	H	98.2	Very high	97	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-47.7	151	173.7	-64.5	-78.1	0	0	0	112.3	E294 G295 W318 G322 F323 S326 E335	E294-H320 PolarHBondContact O-CE1 3.03Å; E294-H320 PolarHBondContact O-NE2 3.33Å; G295-H320 PolarHBondContact O-NE2 3.14Å; W318-H320 AromaticContact CH2-ND1 3.97Å; H320-G322 PolarHBondContact O-N 3.43Å; H320-F323 HydrophobicContact CB-CB 4.33Å; H320-F323 HydrophobicContact CB-CD1 4.27Å; H320-F323 HydrophobicContact CB-CD2 3.56Å; H320-F323 HydrophobicContact CB-CE1 4.45Å; H320-F323 HydrophobicContact CB-CE2 3.78Å; H320-F323 HydrophobicContact CB-CG 3.83Å; H320-F323 HydrophobicContact CB-CZ 4.24Å; H320-F323 AromaticContact CD2-CE1 3.82Å; H320-F323 WeakPolarHBondContact O-CB 3.43Å; H320-F323 PolarHBondContact O-N 3.47Å; H320-S326 WeakPolarHBondContact O-CB 3.4Å; H320-E335 WeakPolarHBondContact CB-OE1 3.47Å; H320-E335 IonicContact CE1-OE2 2.71Å; H320-E335 PolarHBondContact CE1-OE2 3.03Å; H320-E335 IonicContact CG-OE1 3.36Å; H320-E335 IonicContact CG-OE2 3.14Å; H320-E335 IonicContact ND1-OE1 3.3Å; H320-E335 PolarHBondContact ND1-OE1 2.9Å; H320-E335 IonicContact ND1-OE2 4Å; H320-E335 PolarHBondContact ND1-OE2 3.4Å
321	P	98.1	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	126	171.9	-26.6	37.8	0	0	0	111.7	I271 T327 V329 P330 N334 E335 A338	I271-P321 HydrophobicContact CD1-CG 4.11Å; P321-T327 CarbonylContact C-O 3.47Å; P321-T327 VanDerWaalsContact CA-O 3.29Å; P321-T327 WeakPolarHBondContact CA-O 3.16Å; P321-V329 CarbonylContact O-C 3.6Å; P321-P330 VanDerWaalsContact O-CD 3.27Å; P321-P330 WeakPolarHBondContact O-CD 3.46Å; P321-N334 HydrophobicContact CB-CB 4.13Å; P321-N334 HydrophobicContact CG-CB 3.93Å; P321-E335 WeakPolarHBondContact CD-OE1 3.25Å; P321-A338 HydrophobicContact CG-CB 3.89Å
322	G	96.4	Very high	97.1	Very high	13 Å²	13	13.6 Å²	13.6	13%	0.134	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	5.2	-176.3	0	0	0	0	0	115.7	S233 Q238 H320 S326 T327 G328	S233-G322 WeakPolarHBondContact CA-O 3.47Å; Q238-G322 PolarHBondContact NE2-O 2.65Å; H320-G322 PolarHBondContact O-N 3.43Å; G322-S326 CarbonylContact C-O 3.17Å; G322-S326 WeakPolarHBondContact CA-O 3.47Å; G322-S326 PolarHBondContact N-O 2.94Å; G322-T327 PolarHBondContact N-O 2.98Å; G322-G328 WeakPolarHBondContact CA-O 3.28Å; G322-G328 PolarHBondContact N-O 3.23Å
323	F	97.3	Very high	97.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-99.9	130.2	175.2	-77.9	-136	0	0	0	111.2	Y230 G232 S233 N296 G298 F299 N319 H320 G325 S326 P330	Y230-F323 HydrophobicContact CD1-CE2 4.1Å; Y230-F323 AromaticContact CD1-CZ 3.9Å; Y230-F323 HydrophobicContact CD1-CZ 3.9Å; Y230-F323 HydrophobicContact CG-CE2 4.5Å; G232-F323 VanDerWaalsContact CA-CE1 3.48Å; S233-F323 VanDerWaalsContact N-CE2 3.29Å; N296-F323 VanDerWaalsContact O-CZ 3.31Å; N296-F323 WeakPolarHBondContact O-CZ 3.46Å; G298-F323 VanDerWaalsContact O-CD1 3.32Å; G298-F323 WeakPolarHBondContact O-CD1 3.5Å; G298-F323 WeakPolarHBondContact O-CE1 3.26Å; F299-F323 HydrophobicContact CD1-CB 4.25Å; F299-F323 HydrophobicContact CD1-CD1 4.02Å; F299-F323 HydrophobicContact CE1-CB 3.92Å; F299-F323 AromaticContact CE1-CD1 3.67Å; F299-F323 HydrophobicContact CE1-CD1 3.67Å; F299-F323 HydrophobicContact CE1-CG 4.12Å; F299-F323 AromaticContact CZ-CD1 3.98Å; F299-F323 HydrophobicContact CZ-CD1 3.98Å; N319-F323 HydrophobicContact CB-CB 4.06Å; H320-F323 HydrophobicContact CB-CB 4.33Å; H320-F323 HydrophobicContact CB-CD1 4.27Å; H320-F323 HydrophobicContact CB-CD2 3.56Å; H320-F323 HydrophobicContact CB-CE1 4.45Å; H320-F323 HydrophobicContact CB-CE2 3.78Å; H320-F323 HydrophobicContact CB-CG 3.83Å; H320-F323 HydrophobicContact CB-CZ 4.24Å; H320-F323 AromaticContact CD2-CE1 3.82Å; H320-F323 WeakPolarHBondContact O-CB 3.43Å; H320-F323 PolarHBondContact O-N 3.47Å; F323-G325 PolarHBondContact O-N 3.15Å; F323-G325 VanDerWaalsContact O-N 3.07Å; F323-S326 WeakPolarHBondContact O-CB 3.38Å; F323-S326 PolarHBondContact O-N 2.94Å; F323-P330 HydrophobicContact CE2-CG 4.32Å
324	A	94.5	Very high	97	Very high	37 Å²	37	15.4 Å²	15.4	31%	0.306	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-111.5	175	0	0	0	0	0	112.5	L245 F299	L245-A324 HydrophobicContact CD1-CB 4.09Å; F299-A324 HydrophobicContact CD1-CB 3.89Å; F299-A324 HydrophobicContact CE1-CB 4.03Å
325	G	94.4	Very high	97	Very high	14 Å²	14	15.4 Å²	15.4	14%	0.144	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.1	177	0	0	0	0	0	114.3	F166 D272 F323	F166-G325 WeakPolarHBondContact CD1-O 3.39Å; D272-G325 WeakPolarHBondContact OD2-CA 3.39Å; F323-G325 PolarHBondContact O-N 3.15Å; F323-G325 VanDerWaalsContact O-N 3.07Å
326	S	97.9	Very high	96.9	Very high	7 Å²	7	15.4 Å²	15.4	5%	0.049	10%	0.103	C	C	.	.			trans	-70.8	137.1	-174.9	-62.8	0	0	0	0	112.4	E270 D272 N319 H320 G322 F323	E270-S326 CarbonylContact O-C 3.58Å; E270-S326 WeakPolarHBondContact O-CA 3.35Å; D272-S326 PolarHBondContact N-OG 3.04Å; N319-S326 WeakPolarHBondContact CB-OG 3.28Å; N319-S326 PolarHBondContact O-OG 3.35Å; H320-S326 WeakPolarHBondContact O-CB 3.4Å; G322-S326 CarbonylContact C-O 3.17Å; G322-S326 WeakPolarHBondContact CA-O 3.47Å; G322-S326 PolarHBondContact N-O 2.94Å; F323-S326 WeakPolarHBondContact O-CB 3.38Å; F323-S326 PolarHBondContact O-N 2.94Å
327	T	97.6	Very high	96.9	Very high	54 Å²	54	15.5 Å²	15.5	33%	0.331	10%	0.104	S	C	.	.			trans	-86.9	174.8	174.9	68.8	0	0	0	0	111.6	N269 E270 P321 G322	N269-T327 WeakPolarHBondContact CA-OG1 3.16Å; E270-T327 HydrophobicContact CB-CG2 4.08Å; E270-T327 HydrophobicContact CG-CG2 4.38Å; E270-T327 PolarHBondContact N-OG1 3.26Å; E270-T327 PolarHBondContact O-N 2.72Å; P321-T327 CarbonylContact C-O 3.47Å; P321-T327 VanDerWaalsContact CA-O 3.29Å; P321-T327 WeakPolarHBondContact CA-O 3.16Å; G322-T327 PolarHBondContact N-O 2.98Å
328	G	95.6	Very high	96.8	Very high	32 Å²	32	15.6 Å²	15.6	33%	0.33	10%	0.104	S	C	.	.	S	Bend	trans	85.9	-155.2	176.6	0	0	0	0	0	113.3	N269 G322	N269-G328 WeakPolarHBondContact OD1-CA 3.41Å; N269-G328 PolarHBondContact OD1-N 3.09Å; G322-G328 WeakPolarHBondContact CA-O 3.28Å; G322-G328 PolarHBondContact N-O 3.23Å
329	V	95.6	Very high	96.8	Very high	44 Å²	44	15.5 Å²	15.5	27%	0.267	10%	0.104	S	C	.	.			trans	-147.3	148.5	-175.9	-66.7	0	0	0	0	110.6	R226 P321 F331 N334	R226-V329 VanDerWaalsContact CZ-CB 3.5Å; R226-V329 VanDerWaalsContact CZ-CG1 3.4Å; R226-V329 VanDerWaalsContact NH1-CB 3.29Å; R226-V329 VanDerWaalsContact NH1-CG1 3.3Å; P321-V329 CarbonylContact O-C 3.6Å; V329-F331 VanDerWaalsContact C-N 3.29Å; V329-F331 HydrophobicContact CG2-CD2 3.55Å; V329-F331 HydrophobicContact CG2-CE2 3.8Å; V329-F331 PolarHBondContact O-N 3.41Å; V329-N334 WeakPolarHBondContact O-CB 3.47Å; V329-N334 PolarHBondContact O-OD1 2.98Å
330	P	96.3	Very high	96.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.106	C	C	.	.			trans	-86.6	64.6	-169.5	35.2	-37.4	0	0	0	111.7	R226 Y230 P321 F323	R226-P330 HydrophobicContact CG-CG 4.16Å; Y230-P330 VanDerWaalsContact CB-CG 3.43Å; Y230-P330 HydrophobicContact CD1-CB 3.89Å; Y230-P330 HydrophobicContact CD1-CG 4.08Å; Y230-P330 HydrophobicContact CD2-CB 3.77Å; Y230-P330 HydrophobicContact CD2-CG 3.62Å; Y230-P330 HydrophobicContact CE1-CB 4.14Å; Y230-P330 HydrophobicContact CE2-CB 4.01Å; Y230-P330 HydrophobicContact CE2-CG 4.36Å; Y230-P330 WeakPolarHBondContact CE2-O 3.41Å; Y230-P330 HydrophobicContact CG-CB 3.7Å; Y230-P330 HydrophobicContact CG-CG 3.46Å; Y230-P330 VanDerWaalsContact CG-CG 3.46Å; P321-P330 VanDerWaalsContact O-CD 3.27Å; P321-P330 WeakPolarHBondContact O-CD 3.46Å; F323-P330 HydrophobicContact CE2-CG 4.32Å
331	F	96.4	Very high	96.8	Very high	26 Å²	26	15.8 Å²	15.8	11%	0.114	11%	0.105	C	C	.	.			trans	-83	156	164.1	-74.8	-66.5	0	0	0	110.3	H222 V329 Q333 N334 E335 M415	H222-F331 AromaticContact CD2-CE2 3.81Å; H222-F331 AromaticContact CD2-CZ 3.57Å; H222-F331 AromaticContact CE1-CZ 3.87Å; H222-F331 AromaticContact CG-CZ 3.9Å; H222-F331 AromaticContact NE2-CE2 3.79Å; H222-F331 AromaticContact NE2-CZ 3.56Å; V329-F331 VanDerWaalsContact C-N 3.29Å; V329-F331 HydrophobicContact CG2-CD2 3.55Å; V329-F331 HydrophobicContact CG2-CE2 3.8Å; V329-F331 PolarHBondContact O-N 3.41Å; F331-Q333 PolarHBondContact O-N 2.84Å; F331-N334 WeakPolarHBondContact CB-OD1 3.3Å; F331-N334 PolarHBondContact O-N 2.86Å; F331-E335 PolarHBondContact O-N 2.72Å; F331-M415 HydrophobicContact CD1-SD 3.48Å; F331-M415 WeakPolarHBondContact CD1-SD 3.48Å; F331-M415 HydrophobicContact CE1-SD 3.79Å
332	P	96.4	Very high	96.9	Very high	12 Å²	12	15.8 Å²	15.8	8%	0.078	11%	0.105	C	C	.	.	H	α-helix	trans	-48.9	-39.5	-179.9	-28	32.6	0	0	0	114.2	L190 A336 F367 Y414 L417	L190-P332 HydrophobicContact CD1-CB 4.09Å; P332-A336 PolarHBondContact O-N 3.39Å; P332-A336 VanDerWaalsContact O-N 3.13Å; P332-F367 HydrophobicContact CB-CE1 3.88Å; P332-F367 HydrophobicContact CB-CZ 3.7Å; P332-Y414 WeakPolarHBondContact CD-O 3.42Å; P332-L417 HydrophobicContact CB-CD2 4.22Å; P332-L417 HydrophobicContact CG-CD2 3.78Å
333	Q	95.1	Very high	97	Very high	54 Å²	54	15.2 Å²	15.2	25%	0.252	10%	0.099	S	C	.	.	H	α-helix	trans	-69	-40.6	178.5	-172.7	63.1	63.4	0	0	112.6	V188 L190 F331 A336 N337	V188-Q333 PolarHBondContact O-NE2 3.22Å; V188-Q333 PolarHBondContact O-OE1 2.93Å; L190-Q333 HydrophobicContact CD1-CB 4.04Å; F331-Q333 PolarHBondContact O-N 2.84Å; Q333-A336 PolarHBondContact O-N 2.81Å; Q333-N337 PolarHBondContact NE2-OD1 2.77Å; Q333-N337 WeakPolarHBondContact O-CB 3.24Å; Q333-N337 PolarHBondContact O-N 2.85Å; Q333-N337 PolarHBondContact O-ND2 3.33Å; Q333-N337 PolarHBondContact O-OD1 3.34Å
334	N	96.4	Very high	97	Very high	28 Å²	28	16 Å²	16	15%	0.15	10%	0.103	C	C	.	.	H	α-helix	trans	-69.5	-38.5	179.2	-60.6	114.4	0	0	0	110.9	D267 N269 P321 V329 F331 N337 A338	D267-N334 PolarHBondContact OD2-ND2 3.4Å; N269-N334 PolarHBondContact ND2-ND2 3.39Å; P321-N334 HydrophobicContact CB-CB 4.13Å; P321-N334 HydrophobicContact CG-CB 3.93Å; V329-N334 WeakPolarHBondContact O-CB 3.47Å; V329-N334 PolarHBondContact O-OD1 2.98Å; F331-N334 WeakPolarHBondContact CB-OD1 3.3Å; F331-N334 PolarHBondContact O-N 2.86Å; N334-N337 PolarHBondContact O-N 2.8Å; N334-A338 VanDerWaalsContact O-CB 3.31Å; N334-A338 WeakPolarHBondContact O-CB 3.37Å; N334-A338 PolarHBondContact O-N 3.16Å
335	E	97.9	Very high	97.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.8	-49.7	172.3	-73.7	-65.4	131	0	0	111.6	H320 P321 F331 A338 M339 F367 T368	H320-E335 WeakPolarHBondContact CB-OE1 3.47Å; H320-E335 IonicContact CE1-OE2 2.71Å; H320-E335 PolarHBondContact CE1-OE2 3.03Å; H320-E335 IonicContact CG-OE1 3.36Å; H320-E335 IonicContact CG-OE2 3.14Å; H320-E335 IonicContact ND1-OE1 3.3Å; H320-E335 PolarHBondContact ND1-OE1 2.9Å; H320-E335 IonicContact ND1-OE2 4Å; H320-E335 PolarHBondContact ND1-OE2 3.4Å; P321-E335 WeakPolarHBondContact CD-OE1 3.25Å; F331-E335 PolarHBondContact O-N 2.72Å; E335-A338 PolarHBondContact O-N 3.05Å; E335-M339 PolarHBondContact O-N 3.46Å; E335-F367 HydrophobicContact CB-CE1 4.43Å; E335-T368 PolarHBondContact OE2-OG1 3.46Å
336	A	97.4	Very high	97.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-45.7	178.2	0	0	0	0	0	112	V188 L190 P332 Q333 A338 M339 D340 W371	V188-A336 HydrophobicContact CG2-CB 3.45Å; V188-A336 VanDerWaalsContact CG2-CB 3.45Å; L190-A336 HydrophobicContact CD2-CB 3.55Å; P332-A336 PolarHBondContact O-N 3.39Å; P332-A336 VanDerWaalsContact O-N 3.13Å; Q333-A336 PolarHBondContact O-N 2.81Å; A336-A338 VanDerWaalsContact C-N 3.28Å; A336-A338 PolarHBondContact O-N 3.38Å; A336-M339 PolarHBondContact O-N 3.39Å; A336-D340 WeakPolarHBondContact O-CB 3.32Å; A336-D340 PolarHBondContact O-N 3.03Å; A336-W371 HydrophobicContact CB-CD2 3.72Å; A336-W371 HydrophobicContact CB-CE3 4.17Å; A336-W371 HydrophobicContact CB-CG 4.12Å; A336-W371 HydrophobicContact CB-CZ2 4.13Å; A336-W371 WeakPolarHBondContact O-CZ3 3.39Å
337	N	97.2	Very high	97.4	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-60.1	-36.6	176.1	-64.9	-16.9	0	0	0	112.7	G187 V188 A265 C266 D267 Q333 N334 V341	G187-N337 WeakPolarHBondContact CA-OD1 3.29Å; V188-N337 WeakPolarHBondContact CG2-OD1 3.45Å; V188-N337 PolarHBondContact N-OD1 3.02Å; A265-N337 HydrophobicContact CB-CB 4.41Å; C266-N337 PolarHBondContact SG-OD1 3.37Å; C266-N337 VanDerWaalsContact SG-OD1 3.35Å; D267-N337 PolarHBondContact OD2-ND2 3.48Å; Q333-N337 PolarHBondContact NE2-OD1 2.77Å; Q333-N337 WeakPolarHBondContact O-CB 3.24Å; Q333-N337 PolarHBondContact O-N 2.85Å; Q333-N337 PolarHBondContact O-ND2 3.33Å; Q333-N337 PolarHBondContact O-OD1 3.34Å; N334-N337 PolarHBondContact O-N 2.8Å; N337-V341 PolarHBondContact O-N 3.35Å
338	A	98.3	Very high	97.4	Very high	1 Å²	1	18 Å²	18	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-70.1	-47.4	178.1	0	0	0	0	0	111.5	I271 W318 P321 N334 E335 A336 D340 V341 V342	I271-A338 HydrophobicContact CD1-CB 3.63Å; I271-A338 HydrophobicContact CG1-CB 3.88Å; W318-A338 HydrophobicContact CE3-CB 4.25Å; W318-A338 HydrophobicContact CH2-CB 4.43Å; W318-A338 HydrophobicContact CZ3-CB 3.69Å; P321-A338 HydrophobicContact CG-CB 3.89Å; N334-A338 VanDerWaalsContact O-CB 3.31Å; N334-A338 WeakPolarHBondContact O-CB 3.37Å; N334-A338 PolarHBondContact O-N 3.16Å; E335-A338 PolarHBondContact O-N 3.05Å; A336-A338 VanDerWaalsContact C-N 3.28Å; A336-A338 PolarHBondContact O-N 3.38Å; A338-D340 VanDerWaalsContact C-N 3.28Å; A338-D340 PolarHBondContact O-N 3.27Å; A338-V341 WeakPolarHBondContact O-CG1 3.19Å; A338-V341 PolarHBondContact O-N 3.02Å; A338-V342 VanDerWaalsContact O-CG2 3.23Å; A338-V342 WeakPolarHBondContact O-CG2 3.3Å; A338-V342 PolarHBondContact O-N 3.03Å; A338-V342 VanDerWaalsContact O-N 3.1Å
339	M	98.4	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.8	-39.9	177	174.1	52.5	83	0	0	112.5	I291 C293 W318 E335 A336 V342 I343 I359 T368 W371 A372	I291-M339 HydrophobicContact CG2-CE 4.29Å; I291-M339 HydrophobicContact CG2-SD 4.33Å; C293-M339 WeakPolarHBondContact SG-CE 3.33Å; W318-M339 HydrophobicContact CZ2-CE 3.92Å; E335-M339 PolarHBondContact O-N 3.46Å; A336-M339 PolarHBondContact O-N 3.39Å; M339-V342 WeakPolarHBondContact O-CB 3.43Å; M339-V342 PolarHBondContact O-N 2.6Å; M339-I343 HydrophobicContact CG-CD1 3.9Å; M339-I343 HydrophobicContact CG-CG1 4.47Å; M339-I343 WeakPolarHBondContact O-CG1 3.31Å; M339-I343 PolarHBondContact O-N 2.98Å; M339-I343 HydrophobicContact SD-CD1 3.77Å; M339-I343 HydrophobicContact SD-CG1 3.84Å; M339-I359 HydrophobicContact CE-CG2 4.49Å; M339-T368 HydrophobicContact CB-CG2 3.41Å; M339-T368 VanDerWaalsContact CB-CG2 3.41Å; M339-T368 HydrophobicContact CE-CG2 3.81Å; M339-T368 HydrophobicContact CG-CG2 3.88Å; M339-W371 HydrophobicContact CB-CE3 4.16Å; M339-W371 HydrophobicContact CB-CZ3 4.06Å; M339-W371 HydrophobicContact CG-CE3 3.92Å; M339-W371 HydrophobicContact CG-CZ3 3.87Å; M339-A372 HydrophobicContact CE-CB 4.41Å; M339-A372 HydrophobicContact CG-CB 3.8Å; M339-A372 HydrophobicContact SD-CB 4.1Å
340	D	98.1	Very high	97.5	Very high	6 Å²	6	21 Å²	21	3%	0.032	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-49.4	178.1	-174.7	48.5	0	0	0	113	W175 V188 A336 A338 V342 I343 Q344 W371 Y376	W175-D340 WeakPolarHBondContact CH2-OD2 3.21Å; W175-D340 HydrophobicContact CZ3-CB 4.32Å; W175-D340 WeakPolarHBondContact CZ3-OD1 3.31Å; W175-D340 WeakPolarHBondContact CZ3-OD2 3.4Å; V188-D340 HydrophobicContact CG1-CB 3.8Å; V188-D340 WeakPolarHBondContact CG1-OD2 3.46Å; A336-D340 WeakPolarHBondContact O-CB 3.32Å; A336-D340 PolarHBondContact O-N 3.03Å; A338-D340 VanDerWaalsContact C-N 3.28Å; A338-D340 PolarHBondContact O-N 3.27Å; D340-V342 VanDerWaalsContact C-N 3.29Å; D340-V342 PolarHBondContact O-N 3.35Å; D340-I343 PolarHBondContact O-N 3.21Å; D340-Q344 WeakPolarHBondContact O-CG 3.35Å; D340-Q344 PolarHBondContact O-N 2.89Å; D340-W371 HydrophobicContact CB-CH2 3.66Å; D340-W371 HydrophobicContact CB-CZ3 4.02Å; D340-Y376 PolarHBondContact OD1-OH 2.89Å
341	V	98.2	Very high	97.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.4	-30.3	175.6	70.6	0	0	0	0	112.3	F173 W175 L263 A265 I271 N337 A338 F345	F173-V341 HydrophobicContact CD1-CG2 3.8Å; F173-V341 HydrophobicContact CE1-CG2 3.91Å; W175-V341 HydrophobicContact CB-CG2 4.32Å; L263-V341 HydrophobicContact CB-CG1 4.13Å; L263-V341 HydrophobicContact CB-CG2 4.1Å; A265-V341 HydrophobicContact CB-CB 4.48Å; A265-V341 HydrophobicContact CB-CG1 3.86Å; I271-V341 HydrophobicContact CG1-CG1 4.38Å; N337-V341 PolarHBondContact O-N 3.35Å; A338-V341 WeakPolarHBondContact O-CG1 3.19Å; A338-V341 PolarHBondContact O-N 3.02Å; V341-F345 VanDerWaalsContact O-CB 3.27Å; V341-F345 WeakPolarHBondContact O-CB 3.2Å; V341-F345 PolarHBondContact O-N 2.87Å
342	V	98.8	Very high	97.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-45.7	174	168.6	0	0	0	0	111.1	L263 I271 T273 I291 L316 W318 A338 M339 D340 F345 A346	L263-V342 HydrophobicContact CD1-CB 4.43Å; L263-V342 HydrophobicContact CD1-CG2 3.87Å; I271-V342 HydrophobicContact CG2-CG2 4.39Å; T273-V342 HydrophobicContact CG2-CG2 4.2Å; I291-V342 HydrophobicContact CD1-CG1 4.43Å; I291-V342 HydrophobicContact CG2-CG1 3.72Å; L316-V342 HydrophobicContact CD2-CG1 3.64Å; L316-V342 HydrophobicContact CG-CG1 4.15Å; W318-V342 HydrophobicContact CB-CG2 4Å; W318-V342 HydrophobicContact CD2-CG2 4.22Å; W318-V342 HydrophobicContact CG-CG1 4.42Å; W318-V342 HydrophobicContact CG-CG2 3.93Å; A338-V342 VanDerWaalsContact O-CG2 3.23Å; A338-V342 WeakPolarHBondContact O-CG2 3.3Å; A338-V342 PolarHBondContact O-N 3.03Å; A338-V342 VanDerWaalsContact O-N 3.1Å; M339-V342 WeakPolarHBondContact O-CB 3.43Å; M339-V342 PolarHBondContact O-N 2.6Å; D340-V342 VanDerWaalsContact C-N 3.29Å; D340-V342 PolarHBondContact O-N 3.35Å; V342-F345 PolarHBondContact O-N 3.43Å; V342-A346 PolarHBondContact O-N 3.27Å
343	I	98.7	Very high	97.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-65	-45	176.2	-67.6	166.6	0	0	0	110.5	I291 M339 D340 F345 A346 V347 L354 A372 Y376 I379	I291-I343 HydrophobicContact CD1-CG1 4.14Å; M339-I343 HydrophobicContact CG-CD1 3.9Å; M339-I343 HydrophobicContact CG-CG1 4.47Å; M339-I343 WeakPolarHBondContact O-CG1 3.31Å; M339-I343 PolarHBondContact O-N 2.98Å; M339-I343 HydrophobicContact SD-CD1 3.77Å; M339-I343 HydrophobicContact SD-CG1 3.84Å; D340-I343 PolarHBondContact O-N 3.21Å; I343-F345 VanDerWaalsContact C-N 3.31Å; I343-F345 PolarHBondContact O-N 3Å; I343-A346 WeakPolarHBondContact O-CB 3.29Å; I343-A346 PolarHBondContact O-N 3.4Å; I343-A346 VanDerWaalsContact O-N 3.14Å; I343-V347 HydrophobicContact CG2-CG2 4.48Å; I343-V347 WeakPolarHBondContact O-CG2 3.35Å; I343-V347 PolarHBondContact O-N 3.46Å; I343-L354 HydrophobicContact CG2-CD2 3.88Å; I343-A372 HydrophobicContact CD1-CB 3.8Å; I343-Y376 HydrophobicContact CB-CE2 4.35Å; I343-Y376 HydrophobicContact CD1-CD2 3.56Å; I343-Y376 HydrophobicContact CD1-CE2 3.76Å; I343-Y376 HydrophobicContact CD1-CG 4.26Å; I343-Y376 HydrophobicContact CG2-CD1 3.93Å; I343-Y376 HydrophobicContact CG2-CD2 4.23Å; I343-Y376 HydrophobicContact CG2-CE1 3.83Å; I343-Y376 HydrophobicContact CG2-CE2 4.15Å; I343-Y376 HydrophobicContact CG2-CG 4.12Å; I343-I379 HydrophobicContact CD1-CD1 4.22Å
344	Q	97.8	Very high	97.8	Very high	17 Å²	17	26.8 Å²	26.8	8%	0.079	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-39.7	177.1	-75.1	-159.6	-9.4	0	0	112.8	F173 W175 D340 A346 V347 H348	F173-Q344 HydrophobicContact CE1-CB 3.82Å; F173-Q344 HydrophobicContact CZ-CB 3.97Å; W175-Q344 HydrophobicContact CE3-CG 4.16Å; W175-Q344 HydrophobicContact CZ3-CG 3.73Å; W175-Q344 VanDerWaalsContact CZ3-OE1 3.25Å; D340-Q344 WeakPolarHBondContact O-CG 3.35Å; D340-Q344 PolarHBondContact O-N 2.89Å; Q344-A346 VanDerWaalsContact C-N 3.34Å; Q344-V347 PolarHBondContact O-N 3.44Å; Q344-H348 WeakPolarHBondContact O-CB 3.2Å; Q344-H348 PolarHBondContact O-CD2 3.09Å; Q344-H348 VanDerWaalsContact O-CD2 3.26Å; Q344-H348 PolarHBondContact O-N 2.95Å
345	F	98.5	Very high	97.9	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.013	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-44.9	173.9	176.5	-113.2	0	0	0	111.3	F173 N261 L263 L316 V341 V342 I343 V347 K349 L350	F173-F345 HydrophobicContact CB-CD2 3.54Å; F173-F345 HydrophobicContact CB-CE2 4.07Å; F173-F345 HydrophobicContact CB-CG 4.48Å; F173-F345 HydrophobicContact CD1-CB 3.77Å; F173-F345 HydrophobicContact CD1-CD2 4.11Å; F173-F345 HydrophobicContact CD1-CG 4.42Å; F173-F345 HydrophobicContact CD2-CD2 4.29Å; F173-F345 HydrophobicContact CE1-CB 4.07Å; F173-F345 HydrophobicContact CG-CB 4.27Å; F173-F345 AromaticContact CG-CD2 3.74Å; F173-F345 HydrophobicContact CG-CD2 3.74Å; F173-F345 HydrophobicContact CG-CG 4.48Å; N261-F345 HydrophobicContact CB-CE1 4.4Å; N261-F345 HydrophobicContact CB-CZ 4Å; L263-F345 HydrophobicContact CD1-CB 3.81Å; L263-F345 HydrophobicContact CD1-CD1 4.04Å; L263-F345 HydrophobicContact CD1-CG 3.99Å; L263-F345 HydrophobicContact CD2-CB 4.01Å; L263-F345 HydrophobicContact CD2-CD1 3.88Å; L263-F345 HydrophobicContact CD2-CD2 3.56Å; L263-F345 HydrophobicContact CD2-CE1 4.19Å; L263-F345 HydrophobicContact CD2-CE2 3.87Å; L263-F345 HydrophobicContact CD2-CG 3.54Å; L263-F345 HydrophobicContact CD2-CZ 4.19Å; L263-F345 HydrophobicContact CG-CG 4.46Å; L316-F345 HydrophobicContact CD1-CE1 4.45Å; L316-F345 HydrophobicContact CD2-CD1 4.29Å; V341-F345 VanDerWaalsContact O-CB 3.27Å; V341-F345 WeakPolarHBondContact O-CB 3.2Å; V341-F345 PolarHBondContact O-N 2.87Å; V342-F345 PolarHBondContact O-N 3.43Å; I343-F345 VanDerWaalsContact C-N 3.31Å; I343-F345 PolarHBondContact O-N 3Å; F345-V347 VanDerWaalsContact C-N 3.34Å; F345-V347 PolarHBondContact O-N 3.24Å; F345-K349 HydrophobicContact CD2-CB 3.54Å; F345-K349 HydrophobicContact CD2-CG 3.97Å; F345-K349 HydrophobicContact CE2-CB 3.7Å; F345-K349 HydrophobicContact CE2-CG 3.64Å; F345-K349 HydrophobicContact CG-CB 4.4Å; F345-K349 WeakPolarHBondContact O-CA 3.29Å; F345-K349 VanDerWaalsContact O-CB 3.25Å; F345-K349 WeakPolarHBondContact O-CB 3.47Å; F345-K349 PolarHBondContact O-N 2.99Å; F345-L350 HydrophobicContact CD1-CD1 3.93Å; F345-L350 HydrophobicContact CD1-CG 4.07Å; F345-L350 HydrophobicContact CE1-CD1 3.67Å; F345-L350 HydrophobicContact CE1-CD2 3.78Å; F345-L350 HydrophobicContact CE1-CG 3.76Å; F345-L350 HydrophobicContact CE2-CD2 4.44Å; F345-L350 HydrophobicContact CZ-CD1 4.45Å; F345-L350 HydrophobicContact CZ-CD2 3.71Å; F345-L350 HydrophobicContact CZ-CG 4.1Å; F345-L350 PolarHBondContact O-N 3.44Å
346	A	98.5	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-43.3	177	0	0	0	0	0	112.8	L289 I291 L316 V342 I343 Q344 L350 G351 F352 I357	L289-A346 HydrophobicContact CD2-CB 3.51Å; I291-A346 HydrophobicContact CD1-CB 4.23Å; L316-A346 HydrophobicContact CD2-CB 4.16Å; V342-A346 PolarHBondContact O-N 3.27Å; I343-A346 WeakPolarHBondContact O-CB 3.29Å; I343-A346 PolarHBondContact O-N 3.4Å; I343-A346 VanDerWaalsContact O-N 3.14Å; Q344-A346 VanDerWaalsContact C-N 3.34Å; A346-L350 CarbonylContact O-C 3.5Å; A346-L350 WeakPolarHBondContact O-CB 3.49Å; A346-G351 PolarHBondContact O-N 3.43Å; A346-G351 VanDerWaalsContact O-N 3.12Å; A346-F352 PolarHBondContact O-N 3.46Å; A346-F352 VanDerWaalsContact O-N 3.11Å; A346-I357 HydrophobicContact CB-CD1 4.18Å
347	V	98	Very high	97.9	Very high	39 Å²	39	30.1 Å²	30.1	24%	0.236	17%	0.165	C	C	.	.	H	α-helix	trans	-75.9	-55.3	-178.3	175.4	0	0	0	0	111.6	I343 Q344 F345 G351 F352 L354 I357	I343-V347 HydrophobicContact CG2-CG2 4.48Å; I343-V347 WeakPolarHBondContact O-CG2 3.35Å; I343-V347 PolarHBondContact O-N 3.46Å; Q344-V347 PolarHBondContact O-N 3.44Å; F345-V347 VanDerWaalsContact C-N 3.34Å; F345-V347 PolarHBondContact O-N 3.24Å; V347-G351 WeakPolarHBondContact O-CA 3.26Å; V347-G351 PolarHBondContact O-N 3.23Å; V347-F352 WeakPolarHBondContact CA-O 3.32Å; V347-L354 HydrophobicContact CG2-CD2 3.78Å; V347-L354 HydrophobicContact CG2-CG 4.15Å; V347-I357 HydrophobicContact CG2-CD1 4.21Å
348	H	97	Very high	98	Very high	111 Å²	111	30.3 Å²	30.3	51%	0.514	17%	0.166	S	C	.	.	H	α-helix	trans	-87.1	-24.2	-167.2	-62.3	-70.4	0	0	0	113.9	F173 V178 Q344	F173-H348 HydrophobicContact CE2-CB 4.46Å; V178-H348 WeakPolarHBondContact CG1-NE2 3.29Å; V178-H348 HydrophobicContact CG2-CB 4.01Å; Q344-H348 WeakPolarHBondContact O-CB 3.2Å; Q344-H348 PolarHBondContact O-CD2 3.09Å; Q344-H348 VanDerWaalsContact O-CD2 3.26Å; Q344-H348 PolarHBondContact O-N 2.95Å
349	K	96.4	Very high	98	Very high	120 Å²	120	30.2 Å²	30.2	52%	0.522	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-44.4	179.9	-159.4	75.7	172	-162.9	0	113.1	F173 F345	F173-K349 HydrophobicContact CD2-CB 4.43Å; F345-K349 HydrophobicContact CD2-CB 3.54Å; F345-K349 HydrophobicContact CD2-CG 3.97Å; F345-K349 HydrophobicContact CE2-CB 3.7Å; F345-K349 HydrophobicContact CE2-CG 3.64Å; F345-K349 HydrophobicContact CG-CB 4.4Å; F345-K349 WeakPolarHBondContact O-CA 3.29Å; F345-K349 VanDerWaalsContact O-CB 3.25Å; F345-K349 WeakPolarHBondContact O-CB 3.47Å; F345-K349 PolarHBondContact O-N 2.99Å
350	L	97.4	Very high	98	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.099	17%	0.166	C	C	.	.	S	Bend	trans	-85.9	-17.1	-178.1	-53.9	-177.4	0	0	0	113.1	F275 R279 L316 F345 A346 F352	F275-L350 HydrophobicContact CB-CD1 4.35Å; F275-L350 HydrophobicContact CD1-CD1 3.95Å; F275-L350 HydrophobicContact CD1-CD2 3.7Å; F275-L350 HydrophobicContact CD1-CG 4.43Å; F275-L350 HydrophobicContact CD2-CD1 3.67Å; F275-L350 HydrophobicContact CE1-CD1 4.14Å; F275-L350 HydrophobicContact CE1-CD2 3.85Å; F275-L350 HydrophobicContact CE1-CG 4.45Å; F275-L350 HydrophobicContact CE2-CD1 3.92Å; F275-L350 HydrophobicContact CG-CD1 3.71Å; F275-L350 HydrophobicContact CG-CD2 4.25Å; F275-L350 HydrophobicContact CZ-CD1 4.15Å; R279-L350 PolarHBondContact NH1-O 3.26Å; R279-L350 PolarHBondContact NH2-O 2.96Å; L316-L350 HydrophobicContact CD2-CD1 4.33Å; F345-L350 HydrophobicContact CD1-CD1 3.93Å; F345-L350 HydrophobicContact CD1-CG 4.07Å; F345-L350 HydrophobicContact CE1-CD1 3.67Å; F345-L350 HydrophobicContact CE1-CD2 3.78Å; F345-L350 HydrophobicContact CE1-CG 3.76Å; F345-L350 HydrophobicContact CE2-CD2 4.44Å; F345-L350 HydrophobicContact CZ-CD1 4.45Å; F345-L350 HydrophobicContact CZ-CD2 3.71Å; F345-L350 HydrophobicContact CZ-CG 4.1Å; F345-L350 PolarHBondContact O-N 3.44Å; A346-L350 CarbonylContact O-C 3.5Å; A346-L350 WeakPolarHBondContact O-CB 3.49Å; L350-F352 HydrophobicContact CB-CD2 3.79Å; L350-F352 HydrophobicContact CB-CE2 4Å
351	G	97.3	Very high	98.1	Very high	54 Å²	54	30 Å²	30	56%	0.557	17%	0.165	S	C	*	.			trans	77.8	27.6	173.2	0	0	0	0	0	114.3	A346 V347	A346-G351 PolarHBondContact O-N 3.43Å; A346-G351 VanDerWaalsContact O-N 3.12Å; V347-G351 WeakPolarHBondContact O-CA 3.26Å; V347-G351 PolarHBondContact O-N 3.23Å
352	F	98	Very high	98.1	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.031	17%	0.172	C	C	.	.			trans	-85.6	146.4	170.5	-70.5	-89.1	0	0	0	110.7	F275 R279 R287 L289 A346 V347 L350 I357	F275-F352 AromaticContact CE2-CE2 3.82Å; F275-F352 HydrophobicContact CE2-CE2 3.82Å; F275-F352 HydrophobicContact CE2-CZ 4.19Å; F275-F352 AromaticContact CZ-CE2 3.69Å; F275-F352 HydrophobicContact CZ-CE2 3.69Å; F275-F352 HydrophobicContact CZ-CZ 4.09Å; R279-F352 HydrophobicContact CG-CZ 4.46Å; R287-F352 WeakPolarHBondContact O-CE1 3.23Å; L289-F352 HydrophobicContact CB-CB 4.49Å; L289-F352 HydrophobicContact CB-CD1 3.58Å; L289-F352 HydrophobicContact CB-CD2 4.17Å; L289-F352 HydrophobicContact CB-CE1 3.71Å; L289-F352 HydrophobicContact CB-CE2 4.29Å; L289-F352 HydrophobicContact CB-CG 3.82Å; L289-F352 HydrophobicContact CB-CZ 4.07Å; L289-F352 HydrophobicContact CD1-CE2 4.19Å; L289-F352 HydrophobicContact CD1-CZ 4.27Å; L289-F352 HydrophobicContact CD2-CB 4.37Å; L289-F352 HydrophobicContact CD2-CD2 3.83Å; L289-F352 HydrophobicContact CD2-CE2 4.26Å; L289-F352 HydrophobicContact CD2-CG 4.04Å; L289-F352 HydrophobicContact CG-CD2 4.43Å; L289-F352 HydrophobicContact CG-CE2 4.5Å; L289-F352 HydrophobicContact CG-CG 4.49Å; A346-F352 PolarHBondContact O-N 3.46Å; A346-F352 VanDerWaalsContact O-N 3.11Å; V347-F352 WeakPolarHBondContact CA-O 3.32Å; L350-F352 HydrophobicContact CB-CD2 3.79Å; L350-F352 HydrophobicContact CB-CE2 4Å; F352-I357 HydrophobicContact CB-CD1 4.27Å; F352-I357 HydrophobicContact CB-CG1 4.17Å
353	Q	98	Very high	98	Very high	119 Å²	119	32 Å²	32	56%	0.556	17%	0.173	S	C	*	.			trans	-86.9	150.6	169.5	-59.1	178.5	100.8	0	0	109.4	S355 D356 I357	Q353-S355 PolarHBondContact O-N 3.4Å; Q353-D356 PolarHBondContact NE2-OD2 3.1Å; Q353-D356 WeakPolarHBondContact O-CA 3.29Å; Q353-D356 WeakPolarHBondContact O-CB 3.15Å; Q353-D356 PolarHBondContact O-N 3.48Å; Q353-I357 WeakPolarHBondContact O-CG1 3.39Å
354	L	97.9	Very high	98	Very high	35 Å²	35	32.2 Å²	32.2	18%	0.183	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-54.3	-39.5	176.3	-67.5	171.3	0	0	0	111.7	I343 V347 D356 I357 Y376 E378 I379 Q380	I343-L354 HydrophobicContact CG2-CD2 3.88Å; V347-L354 HydrophobicContact CG2-CD2 3.78Å; V347-L354 HydrophobicContact CG2-CG 4.15Å; L354-D356 PolarHBondContact O-N 2.89Å; L354-D356 VanDerWaalsContact O-N 3.08Å; L354-I357 HydrophobicContact CD2-CD1 4.34Å; L354-I357 WeakPolarHBondContact O-CB 3.2Å; L354-I357 PolarHBondContact O-N 3.43Å; L354-Y376 HydrophobicContact CD1-CD1 4.18Å; L354-Y376 HydrophobicContact CD2-CD1 4Å; L354-Y376 HydrophobicContact CD2-CG 4.48Å; L354-E378 CarbonylContact C-O 3.53Å; L354-E378 VanDerWaalsContact C-O 3.26Å; L354-E378 HydrophobicContact CB-CB 3.83Å; L354-E378 HydrophobicContact CD1-CB 3.97Å; L354-I379 HydrophobicContact CD2-CG1 4.12Å; L354-I379 VanDerWaalsContact O-CA 3.29Å; L354-I379 WeakPolarHBondContact O-CA 3.5Å; L354-Q380 PolarHBondContact O-N 2.93Å; L354-Q380 VanDerWaalsContact O-N 3.13Å
355	S	97.5	Very high	98	Very high	59 Å²	59	31.4 Å²	31.4	41%	0.413	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-65.2	-11.2	177.1	61.9	0	0	0	0	115.2	Q353 E378 Q380	Q353-S355 PolarHBondContact O-N 3.4Å; S355-E378 WeakPolarHBondContact CA-O 3.4Å; S355-E378 PolarHBondContact N-O 2.96Å; S355-Q380 WeakPolarHBondContact O-CB 3.3Å; S355-Q380 WeakPolarHBondContact O-CG 3.35Å; S355-Q380 PolarHBondContact O-NE2 3.48Å
356	D	97.6	Very high	98	Very high	39 Å²	39	31.2 Å²	31.2	21%	0.209	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-107.5	7.7	177.3	-59.3	-38.5	0	0	0	111.7	T288 L289 Q353 L354	T288-D356 WeakPolarHBondContact CA-O 3.23Å; L289-D356 PolarHBondContact N-O 2.81Å; Q353-D356 PolarHBondContact NE2-OD2 3.1Å; Q353-D356 WeakPolarHBondContact O-CA 3.29Å; Q353-D356 WeakPolarHBondContact O-CB 3.15Å; Q353-D356 PolarHBondContact O-N 3.48Å; L354-D356 PolarHBondContact O-N 2.89Å; L354-D356 VanDerWaalsContact O-N 3.08Å
357	I	98.8	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.4	-178.5	-64.9	172.8	0	0	0	110.8	L289 I291 A346 V347 F352 Q353 L354 I359 I379 Q380	L289-I357 HydrophobicContact CB-CG1 4.19Å; L289-I357 HydrophobicContact CD2-CD1 4.42Å; L289-I357 HydrophobicContact CD2-CG1 4.21Å; L289-I357 CarbonylContact O-C 2.94Å; L289-I357 WeakPolarHBondContact O-CA 3.41Å; I291-I357 HydrophobicContact CD1-CG2 3.72Å; I291-I357 HydrophobicContact CG1-CG2 3.98Å; A346-I357 HydrophobicContact CB-CD1 4.18Å; V347-I357 HydrophobicContact CG2-CD1 4.21Å; F352-I357 HydrophobicContact CB-CD1 4.27Å; F352-I357 HydrophobicContact CB-CG1 4.17Å; Q353-I357 WeakPolarHBondContact O-CG1 3.39Å; L354-I357 HydrophobicContact CD2-CD1 4.34Å; L354-I357 WeakPolarHBondContact O-CB 3.2Å; L354-I357 PolarHBondContact O-N 3.43Å; I357-I359 HydrophobicContact CG2-CD1 3.87Å; I357-I379 VanDerWaalsContact O-CG2 3.3Å; I357-I379 WeakPolarHBondContact O-CG2 3.31Å; I357-Q380 WeakPolarHBondContact O-CA 3.45Å; I357-Q380 WeakPolarHBondContact O-CB 3.24Å; I357-Q380 PolarHBondContact O-N 3.05Å
358	V	98.8	Very high	98	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.036	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.5	167.6	179.8	0	0	0	0	108.8	T288 L289 V290 I291 Q380 S381 V383 F560	T288-V358 HydrophobicContact CG2-CG2 3.71Å; L289-V358 PolarHBondContact O-N 3.1Å; V290-V358 CarbonylContact C-O 3.56Å; V290-V358 WeakPolarHBondContact CA-O 3.2Å; V290-V358 HydrophobicContact CG2-CB 4.3Å; I291-V358 PolarHBondContact N-O 3.05Å; V358-Q380 HydrophobicContact CG2-CB 4.48Å; V358-S381 WeakPolarHBondContact CA-O 3.37Å; V358-S381 WeakPolarHBondContact CG2-OG 3.39Å; V358-V383 HydrophobicContact CG1-CG2 4.2Å; V358-F560 HydrophobicContact CG1-CZ 4.29Å
359	I	98.9	Very high	98.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.4	168.9	-51.6	-58.7	0	0	0	108.5	I291 M339 I357 A369 A372 V373 I379 S381 V382 V383	I291-I359 HydrophobicContact CB-CD1 3.8Å; I291-I359 HydrophobicContact CD1-CD1 4.01Å; I291-I359 HydrophobicContact CG1-CD1 4.25Å; I291-I359 HydrophobicContact CG2-CD1 4.43Å; M339-I359 HydrophobicContact CE-CG2 4.49Å; I357-I359 HydrophobicContact CG2-CD1 3.87Å; I359-A369 HydrophobicContact CB-CB 4.46Å; I359-A369 HydrophobicContact CG2-CB 3.37Å; I359-A372 HydrophobicContact CD1-CB 4.42Å; I359-A372 HydrophobicContact CG1-CB 4.17Å; I359-V373 HydrophobicContact CB-CG1 4.36Å; I359-V373 HydrophobicContact CG1-CG1 3.95Å; I359-I379 HydrophobicContact CD1-CD1 4.07Å; I359-I379 HydrophobicContact CG1-CD1 3.94Å; I359-I379 HydrophobicContact CG1-CG2 4Å; I359-S381 PolarHBondContact N-O 3.02Å; I359-V382 HydrophobicContact CB-CG2 4.27Å; I359-V382 CarbonylContact O-C 3.54Å; I359-V382 VanDerWaalsContact O-CA 3.3Å; I359-V382 WeakPolarHBondContact O-CA 3.41Å; I359-V382 WeakPolarHBondContact O-CG2 3.36Å; I359-V383 PolarHBondContact O-N 2.74Å
360	Y	98.8	Very high	98.2	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.6	172.8	176.1	-139.2	0	0	0	109.1	I291 C292 C293 C304 T307 P308 V383 D385 L555 F560	I291-Y360 PolarHBondContact O-N 3.19Å; C292-Y360 CarbonylContact C-O 3.56Å; C292-Y360 WeakPolarHBondContact CA-O 3.1Å; C293-Y360 PolarHBondContact N-O 2.82Å; C304-Y360 HydrophobicContact CB-CD1 4.34Å; C304-Y360 HydrophobicContact CB-CE1 3.69Å; C304-Y360 WeakPolarHBondContact O-CE1 3.47Å; T307-Y360 HydrophobicContact CG2-CE1 4.43Å; P308-Y360 HydrophobicContact CG-CD1 4.36Å; Y360-V383 WeakPolarHBondContact CA-O 3.21Å; Y360-V383 HydrophobicContact CD2-CB 3.93Å; Y360-V383 HydrophobicContact CD2-CG1 3.86Å; Y360-V383 HydrophobicContact CE2-CG1 4.14Å; Y360-D385 HydrophobicContact CE2-CB 3.74Å; Y360-D385 PolarHBondContact OH-OD2 2.65Å; Y360-L555 HydrophobicContact CE2-CD2 4.27Å; Y360-L555 WeakPolarHBondContact OH-CB 3.5Å; Y360-L555 WeakPolarHBondContact OH-CD2 3.48Å; Y360-F560 HydrophobicContact CD1-CD2 4.48Å; Y360-F560 HydrophobicContact CD1-CE2 4.12Å; Y360-F560 HydrophobicContact CD2-CD2 4.28Å; Y360-F560 AromaticContact CD2-CE2 3.86Å; Y360-F560 HydrophobicContact CD2-CE2 3.86Å; Y360-F560 HydrophobicContact CE2-CD2 4.44Å; Y360-F560 HydrophobicContact CE2-CE2 4.46Å; Y360-F560 HydrophobicContact CG-CD2 4.33Å; Y360-F560 AromaticContact CG-CE2 3.69Å; Y360-F560 HydrophobicContact CG-CE2 3.69Å
361	A	98.4	Very high	98.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.7	176.9	0	0	0	0	0	112.8	C293 A369 V383 L384 D385	C293-A361 HydrophobicContact CB-CB 3.78Å; C293-A361 WeakPolarHBondContact O-CA 3.1Å; A361-A369 HydrophobicContact CB-CB 3.52Å; A361-V383 PolarHBondContact N-O 3.23Å; A361-L384 HydrophobicContact CB-CD2 3.89Å; A361-D385 PolarHBondContact O-N 2.86Å
362	W	98.2	Very high	98.3	Very high	38 Å²	38	15.2 Å²	15.2	14%	0.144	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.2	170.7	174.4	53.9	0	0	0	110.5	C293 G295 C304 I364 G365 D385 H551	C293-W362 PolarHBondContact O-N 2.88Å; G295-W362 VanDerWaalsContact CA-CE3 3.5Å; C304-W362 HydrophobicContact CB-CB 4.17Å; W362-I364 PolarHBondContact O-N 3.23Å; W362-G365 PolarHBondContact O-N 2.73Å; W362-D385 CarbonylContact C-O 3.39Å; W362-D385 WeakPolarHBondContact CA-O 3.46Å; W362-H551 AromaticContact CZ2-CD2 3.77Å; W362-H551 AromaticContact CZ2-NE2 3.98Å; W362-H551 AromaticContact NE1-NE2 4Å; W362-H551 PolarHBondContact NE1-O 2.95Å
363	S	97.9	Very high	98.3	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.028	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-124.8	171	-170	0	0	0	0	113.2	G365 G366 D385 A386 S387 H551	S363-G365 PolarHBondContact O-N 3.3Å; S363-G366 PolarHBondContact O-N 2.92Å; S363-D385 PolarHBondContact N-O 2.63Å; S363-A386 VanDerWaalsContact CA-O 3.29Å; S363-A386 WeakPolarHBondContact CA-O 3.18Å; S363-S387 PolarHBondContact O-OG 3.1Å; S363-H551 VanDerWaalsContact CB-NE2 3.29Å; S363-H551 WeakPolarHBondContact CB-NE2 3.38Å; S363-H551 PolarHBondContact OG-CE1 3.4Å; S363-H551 PolarHBondContact OG-NE2 2.94Å
364	I	97.9	Very high	98.3	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.021	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.5	179.2	-157.4	166	0	0	0	113.4	L229 Y230 N296 W362 G366 F367 F388 L417	L229-I364 HydrophobicContact CD1-CD1 3.54Å; L229-I364 HydrophobicContact CD2-CD1 4.19Å; L229-I364 HydrophobicContact CG-CD1 3.63Å; Y230-I364 HydrophobicContact CD2-CD1 4.43Å; Y230-I364 HydrophobicContact CE1-CD1 3.91Å; Y230-I364 HydrophobicContact CE1-CG1 4.36Å; Y230-I364 HydrophobicContact CE1-CG2 3.86Å; Y230-I364 HydrophobicContact CE2-CD1 3.81Å; N296-I364 HydrophobicContact CB-CB 4.47Å; N296-I364 HydrophobicContact CB-CD1 4.38Å; N296-I364 HydrophobicContact CB-CG2 3.79Å; N296-I364 VanDerWaalsContact N-CG2 3.33Å; W362-I364 PolarHBondContact O-N 3.23Å; I364-G366 PolarHBondContact O-N 2.88Å; I364-F367 PolarHBondContact O-N 2.68Å; I364-F388 HydrophobicContact CB-CE1 4.3Å; I364-F388 HydrophobicContact CG1-CE1 4.34Å; I364-F388 HydrophobicContact CG1-CZ 4.17Å; I364-L417 HydrophobicContact CD1-CD1 3.7Å; I364-L417 HydrophobicContact CG1-CD1 3.68Å
365	G	98.3	Very high	98.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.5	-17.8	174.5	0	0	0	0	0	112.8	E294 W362 S363 F367 T368 A369	E294-G365 VanDerWaalsContact O-CA 3.23Å; E294-G365 WeakPolarHBondContact O-CA 3.37Å; E294-G365 PolarHBondContact O-N 3.19Å; W362-G365 PolarHBondContact O-N 2.73Å; S363-G365 PolarHBondContact O-N 3.3Å; G365-F367 PolarHBondContact O-N 3.46Å; G365-T368 PolarHBondContact O-N 2.91Å; G365-T368 VanDerWaalsContact O-N 3.08Å; G365-A369 PolarHBondContact O-N 3.08Å
366	G	98.4	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.8	-26.8	173.2	0	0	0	0	0	114	S363 I364 S370 S387	S363-G366 PolarHBondContact O-N 2.92Å; I364-G366 PolarHBondContact O-N 2.88Å; G366-S370 VanDerWaalsContact O-CB 3.27Å; G366-S370 WeakPolarHBondContact O-CB 3.48Å; G366-S370 PolarHBondContact O-N 2.88Å; G366-S370 PolarHBondContact O-OG 3.21Å; G366-S387 WeakPolarHBondContact CA-OG 3.46Å
367	F	98.4	Very high	98.1	Very high	3 Å²	3	11.8 Å²	11.8	1%	0.013	6%	0.064	C	C	.	.	H	α-helix	trans	-62.4	-53.1	169.9	174.3	-100.4	0	0	0	110.7	L190 P332 E335 I364 G365 A369 S370 W371 L417 N419 Q422	L190-F367 HydrophobicContact CD2-CZ 4.35Å; P332-F367 HydrophobicContact CB-CE1 3.88Å; P332-F367 HydrophobicContact CB-CZ 3.7Å; E335-F367 HydrophobicContact CB-CE1 4.43Å; I364-F367 PolarHBondContact O-N 2.68Å; G365-F367 PolarHBondContact O-N 3.46Å; F367-A369 VanDerWaalsContact C-N 3.29Å; F367-A369 PolarHBondContact O-N 3.49Å; F367-S370 PolarHBondContact O-N 2.97Å; F367-S370 PolarHBondContact O-OG 3.4Å; F367-W371 WeakPolarHBondContact O-CB 3.34Å; F367-W371 PolarHBondContact O-N 3.47Å; F367-L417 HydrophobicContact CB-CB 4.25Å; F367-L417 HydrophobicContact CB-CD2 4.27Å; F367-L417 HydrophobicContact CD1-CD2 3.75Å; F367-L417 HydrophobicContact CD2-CB 3.79Å; F367-L417 HydrophobicContact CD2-CD2 3.71Å; F367-L417 HydrophobicContact CD2-CG 4.35Å; F367-L417 HydrophobicContact CE1-CD2 3.97Å; F367-L417 HydrophobicContact CE2-CB 4.41Å; F367-L417 HydrophobicContact CE2-CD2 3.89Å; F367-L417 HydrophobicContact CG-CB 4.13Å; F367-L417 HydrophobicContact CG-CD2 3.62Å; F367-L417 HydrophobicContact CG-CG 4.38Å; F367-L417 HydrophobicContact CZ-CD2 4.03Å; F367-N419 WeakPolarHBondContact CA-OD1 3.31Å; F367-N419 VanDerWaalsContact CB-OD1 3.29Å; F367-N419 WeakPolarHBondContact CB-OD1 3.27Å; F367-N419 PolarHBondContact N-OD1 2.86Å; F367-Q422 PolarHBondContact O-OE1 3.24Å
368	T	98	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-36.3	-177.4	-49.1	0	0	0	0	111.4	W318 E335 M339 G365 A372	W318-T368 HydrophobicContact CH2-CG2 3.8Å; W318-T368 HydrophobicContact CZ2-CG2 3.68Å; E335-T368 PolarHBondContact OE2-OG1 3.46Å; M339-T368 HydrophobicContact CB-CG2 3.41Å; M339-T368 VanDerWaalsContact CB-CG2 3.41Å; M339-T368 HydrophobicContact CE-CG2 3.81Å; M339-T368 HydrophobicContact CG-CG2 3.88Å; G365-T368 PolarHBondContact O-N 2.91Å; G365-T368 VanDerWaalsContact O-N 3.08Å; T368-A372 WeakPolarHBondContact O-CB 3.37Å; T368-A372 PolarHBondContact O-N 3Å
369	A	98.6	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-70.3	-43.2	175.7	0	0	0	0	0	114.2	I359 A361 G365 F367 W371 A372 V373 V382 L384	I359-A369 HydrophobicContact CB-CB 4.46Å; I359-A369 HydrophobicContact CG2-CB 3.37Å; A361-A369 HydrophobicContact CB-CB 3.52Å; G365-A369 PolarHBondContact O-N 3.08Å; F367-A369 VanDerWaalsContact C-N 3.29Å; F367-A369 PolarHBondContact O-N 3.49Å; A369-W371 VanDerWaalsContact C-N 3.3Å; A369-A372 WeakPolarHBondContact O-CB 3.2Å; A369-A372 PolarHBondContact O-N 3.35Å; A369-V373 PolarHBondContact O-N 3.01Å; A369-V373 VanDerWaalsContact O-N 3.13Å; A369-V382 HydrophobicContact CB-CG2 4.21Å; A369-L384 HydrophobicContact CB-CD2 3.94Å
370	S	98.6	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.2	-34.5	176.4	54.9	0	0	0	0	111.4	G366 F367 M374 N419 Q422	G366-S370 VanDerWaalsContact O-CB 3.27Å; G366-S370 WeakPolarHBondContact O-CB 3.48Å; G366-S370 PolarHBondContact O-N 2.88Å; G366-S370 PolarHBondContact O-OG 3.21Å; F367-S370 PolarHBondContact O-N 2.97Å; F367-S370 PolarHBondContact O-OG 3.4Å; S370-M374 VanDerWaalsContact O-CB 3.24Å; S370-M374 WeakPolarHBondContact O-CB 3.46Å; S370-M374 PolarHBondContact O-N 2.82Å; S370-M374 VanDerWaalsContact O-N 3.09Å; S370-N419 WeakPolarHBondContact OG-CA 3.5Å; S370-Q422 PolarHBondContact OG-OE1 3.04Å
371	W	98.4	Very high	97.9	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-44.2	168.6	179.4	85.8	0	0	0	112.3	V188 S189 A336 M339 D340 F367 A369 M374 S375 Y376	V188-W371 HydrophobicContact CB-CH2 4.23Å; V188-W371 HydrophobicContact CB-CZ2 3.68Å; V188-W371 HydrophobicContact CG1-CH2 4.3Å; V188-W371 HydrophobicContact CG1-CZ2 4.24Å; V188-W371 HydrophobicContact CG2-CH2 3.88Å; V188-W371 HydrophobicContact CG2-CZ2 3.28Å; S189-W371 PolarHBondContact O-NE1 2.97Å; A336-W371 HydrophobicContact CB-CD2 3.72Å; A336-W371 HydrophobicContact CB-CE3 4.17Å; A336-W371 HydrophobicContact CB-CG 4.12Å; A336-W371 HydrophobicContact CB-CZ2 4.13Å; A336-W371 WeakPolarHBondContact O-CZ3 3.39Å; M339-W371 HydrophobicContact CB-CE3 4.16Å; M339-W371 HydrophobicContact CB-CZ3 4.06Å; M339-W371 HydrophobicContact CG-CE3 3.92Å; M339-W371 HydrophobicContact CG-CZ3 3.87Å; D340-W371 HydrophobicContact CB-CH2 3.66Å; D340-W371 HydrophobicContact CB-CZ3 4.02Å; F367-W371 WeakPolarHBondContact O-CB 3.34Å; F367-W371 PolarHBondContact O-N 3.47Å; A369-W371 VanDerWaalsContact C-N 3.3Å; W371-M374 HydrophobicContact CG-CE 4.42Å; W371-M374 PolarHBondContact O-N 3.07Å; W371-S375 VanDerWaalsContact CZ2-OG 3.29Å; W371-S375 WeakPolarHBondContact CZ2-OG 3.5Å; W371-S375 PolarHBondContact NE1-OG 3.06Å; W371-S375 WeakPolarHBondContact O-CB 3.49Å; W371-S375 PolarHBondContact O-N 2.92Å; W371-S375 PolarHBondContact O-OG 3.09Å; W371-Y376 HydrophobicContact CH2-CE2 4.28Å; W371-Y376 HydrophobicContact CZ3-CE2 4.47Å
372	A	98.5	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.8	-54.2	179.4	0	0	0	0	0	111.8	M339 I343 I359 T368 A369 M374 S375 Y376 I379	M339-A372 HydrophobicContact CE-CB 4.41Å; M339-A372 HydrophobicContact CG-CB 3.8Å; M339-A372 HydrophobicContact SD-CB 4.1Å; I343-A372 HydrophobicContact CD1-CB 3.8Å; I359-A372 HydrophobicContact CD1-CB 4.42Å; I359-A372 HydrophobicContact CG1-CB 4.17Å; T368-A372 WeakPolarHBondContact O-CB 3.37Å; T368-A372 PolarHBondContact O-N 3Å; A369-A372 WeakPolarHBondContact O-CB 3.2Å; A369-A372 PolarHBondContact O-N 3.35Å; A372-M374 VanDerWaalsContact C-N 3.32Å; A372-M374 PolarHBondContact O-N 2.75Å; A372-S375 PolarHBondContact O-N 2.77Å; A372-Y376 WeakPolarHBondContact O-CB 3.3Å; A372-Y376 PolarHBondContact O-N 3.45Å; A372-I379 HydrophobicContact CB-CD1 4.45Å
373	V	98.3	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-73.4	-23.3	-176.8	-59.7	0	0	0	0	113.7	I359 A369 I379 V382 L423 Y426	I359-V373 HydrophobicContact CB-CG1 4.36Å; I359-V373 HydrophobicContact CG1-CG1 3.95Å; A369-V373 PolarHBondContact O-N 3.01Å; A369-V373 VanDerWaalsContact O-N 3.13Å; V373-I379 HydrophobicContact CG1-CB 4.28Å; V373-I379 HydrophobicContact CG1-CD1 4.29Å; V373-I379 HydrophobicContact CG1-CG2 3.8Å; V373-V382 HydrophobicContact CG1-CB 3.88Å; V373-V382 HydrophobicContact CG1-CG1 4.45Å; V373-V382 HydrophobicContact CG1-CG2 4.41Å; V373-V382 HydrophobicContact CG2-CB 4.46Å; V373-V382 HydrophobicContact CG2-CG1 4.28Å; V373-L423 HydrophobicContact CG2-CD1 4.42Å; V373-Y426 HydrophobicContact CB-CD1 3.95Å; V373-Y426 HydrophobicContact CB-CD2 3.66Å; V373-Y426 HydrophobicContact CB-CE1 4.19Å; V373-Y426 HydrophobicContact CB-CE2 3.93Å; V373-Y426 HydrophobicContact CB-CG 3.66Å; V373-Y426 HydrophobicContact CG1-CE1 4.47Å; V373-Y426 HydrophobicContact CG2-CD1 3.8Å; V373-Y426 HydrophobicContact CG2-CD2 4.18Å; V373-Y426 HydrophobicContact CG2-CE1 4.4Å; V373-Y426 HydrophobicContact CG2-CG 3.65Å; V373-Y426 WeakPolarHBondContact O-CD2 3.12Å
374	M	97.2	Very high	98	Very high	36 Å²	36	17.4 Å²	17.4	18%	0.177	9%	0.092	C	C	.	.	H	α-helix	trans	-68.7	-41.7	169.1	175.6	-170.4	70.7	0	0	111.4	L191 S370 W371 A372 Q422 K425	L191-M374 HydrophobicContact CB-CE 4.44Å; L191-M374 HydrophobicContact CB-SD 4.4Å; S370-M374 VanDerWaalsContact O-CB 3.24Å; S370-M374 WeakPolarHBondContact O-CB 3.46Å; S370-M374 PolarHBondContact O-N 2.82Å; S370-M374 VanDerWaalsContact O-N 3.09Å; W371-M374 HydrophobicContact CG-CE 4.42Å; W371-M374 PolarHBondContact O-N 3.07Å; A372-M374 VanDerWaalsContact C-N 3.32Å; A372-M374 PolarHBondContact O-N 2.75Å; M374-Q422 HydrophobicContact CE-CG 4.3Å; M374-Q422 HydrophobicContact SD-CB 4.1Å; M374-Q422 HydrophobicContact SD-CG 4.01Å; M374-K425 HydrophobicContact CG-CB 3.94Å; M374-K425 HydrophobicContact CG-CD 3.92Å; M374-K425 HydrophobicContact SD-CD 3.7Å
375	S	96.7	Very high	98	Very high	47 Å²	47	17.3 Å²	17.3	33%	0.329	9%	0.091	S	C	.	.	H	α-helix	trans	-82.9	-28.3	-175.4	-60.2	0	0	0	0	113.2	W371 A372 P377	W371-S375 VanDerWaalsContact CZ2-OG 3.29Å; W371-S375 WeakPolarHBondContact CZ2-OG 3.5Å; W371-S375 PolarHBondContact NE1-OG 3.06Å; W371-S375 WeakPolarHBondContact O-CB 3.49Å; W371-S375 PolarHBondContact O-N 2.92Å; W371-S375 PolarHBondContact O-OG 3.09Å; A372-S375 PolarHBondContact O-N 2.77Å; S375-P377 WeakPolarHBondContact O-CD 3.25Å
376	Y	97.3	Very high	98	Very high	40 Å²	40	17.3 Å²	17.3	16%	0.157	9%	0.091	C	C	.	.			trans	-122.3	75.1	178.9	-66	-90.6	0	0	0	109.2	D340 I343 L354 W371 A372 E378 I379	D340-Y376 PolarHBondContact OD1-OH 2.89Å; I343-Y376 HydrophobicContact CB-CE2 4.35Å; I343-Y376 HydrophobicContact CD1-CD2 3.56Å; I343-Y376 HydrophobicContact CD1-CE2 3.76Å; I343-Y376 HydrophobicContact CD1-CG 4.26Å; I343-Y376 HydrophobicContact CG2-CD1 3.93Å; I343-Y376 HydrophobicContact CG2-CD2 4.23Å; I343-Y376 HydrophobicContact CG2-CE1 3.83Å; I343-Y376 HydrophobicContact CG2-CE2 4.15Å; I343-Y376 HydrophobicContact CG2-CG 4.12Å; L354-Y376 HydrophobicContact CD1-CD1 4.18Å; L354-Y376 HydrophobicContact CD2-CD1 4Å; L354-Y376 HydrophobicContact CD2-CG 4.48Å; W371-Y376 HydrophobicContact CH2-CE2 4.28Å; W371-Y376 HydrophobicContact CZ3-CE2 4.47Å; A372-Y376 WeakPolarHBondContact O-CB 3.3Å; A372-Y376 PolarHBondContact O-N 3.45Å; Y376-E378 PolarHBondContact O-N 2.89Å; Y376-E378 VanDerWaalsContact O-N 3.13Å; Y376-I379 HydrophobicContact CG-CD1 4.47Å; Y376-I379 WeakPolarHBondContact O-CB 3.31Å; Y376-I379 VanDerWaalsContact O-CG1 3.3Å; Y376-I379 WeakPolarHBondContact O-CG1 3.04Å; Y376-I379 PolarHBondContact O-N 2.85Å; Y376-I379 VanDerWaalsContact O-N 3.07Å
377	P	95.3	Very high	98	Very high	65 Å²	65	17.6 Å²	17.6	42%	0.422	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.3	-171.8	27.1	-35.6	0	0	0	114.1	S375 I379	S375-P377 WeakPolarHBondContact O-CD 3.25Å; P377-I379 PolarHBondContact O-N 3.26Å
378	E	96.9	Very high	98	Very high	119 Å²	119	17.7 Å²	17.7	56%	0.556	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.6	175.6	-55.4	83.2	174.8	0	0	113.5	L354 S355 Y376	L354-E378 CarbonylContact C-O 3.53Å; L354-E378 VanDerWaalsContact C-O 3.26Å; L354-E378 HydrophobicContact CB-CB 3.83Å; L354-E378 HydrophobicContact CD1-CB 3.97Å; S355-E378 WeakPolarHBondContact CA-O 3.4Å; S355-E378 PolarHBondContact N-O 2.96Å; Y376-E378 PolarHBondContact O-N 2.89Å; Y376-E378 VanDerWaalsContact O-N 3.13Å
379	I	98.4	Very high	98	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.026	9%	0.093	C	C	.	.	S	Bend	trans	-53.8	141.9	172.9	-76.3	176.6	0	0	0	110	I343 L354 I357 I359 A372 V373 Y376 P377 S381 Y426	I343-I379 HydrophobicContact CD1-CD1 4.22Å; L354-I379 HydrophobicContact CD2-CG1 4.12Å; L354-I379 VanDerWaalsContact O-CA 3.29Å; L354-I379 WeakPolarHBondContact O-CA 3.5Å; I357-I379 VanDerWaalsContact O-CG2 3.3Å; I357-I379 WeakPolarHBondContact O-CG2 3.31Å; I359-I379 HydrophobicContact CD1-CD1 4.07Å; I359-I379 HydrophobicContact CG1-CD1 3.94Å; I359-I379 HydrophobicContact CG1-CG2 4Å; A372-I379 HydrophobicContact CB-CD1 4.45Å; V373-I379 HydrophobicContact CG1-CB 4.28Å; V373-I379 HydrophobicContact CG1-CD1 4.29Å; V373-I379 HydrophobicContact CG1-CG2 3.8Å; Y376-I379 HydrophobicContact CG-CD1 4.47Å; Y376-I379 WeakPolarHBondContact O-CB 3.31Å; Y376-I379 VanDerWaalsContact O-CG1 3.3Å; Y376-I379 WeakPolarHBondContact O-CG1 3.04Å; Y376-I379 PolarHBondContact O-N 2.85Å; Y376-I379 VanDerWaalsContact O-N 3.07Å; P377-I379 PolarHBondContact O-N 3.26Å; I379-S381 PolarHBondContact O-N 3.4Å; I379-Y426 PolarHBondContact O-OH 3.31Å
380	Q	97.6	Very high	97.9	Very high	38 Å²	38	18 Å²	18	18%	0.178	10%	0.095	C	C	.	.			trans	-61.3	-48.2	-173.3	-168.4	179.5	58.4	0	0	113.4	L354 S355 I357 V358 Y426 P429 R565	L354-Q380 PolarHBondContact O-N 2.93Å; L354-Q380 VanDerWaalsContact O-N 3.13Å; S355-Q380 WeakPolarHBondContact O-CB 3.3Å; S355-Q380 WeakPolarHBondContact O-CG 3.35Å; S355-Q380 PolarHBondContact O-NE2 3.48Å; I357-Q380 WeakPolarHBondContact O-CA 3.45Å; I357-Q380 WeakPolarHBondContact O-CB 3.24Å; I357-Q380 PolarHBondContact O-N 3.05Å; V358-Q380 HydrophobicContact CG2-CB 4.48Å; Q380-Y426 PolarHBondContact O-OH 2.83Å; Q380-P429 VanDerWaalsContact O-CD 3.3Å; Q380-P429 WeakPolarHBondContact O-CD 3.43Å; Q380-R565 PolarHBondContact O-NH2 3.18Å
381	S	98.3	Very high	97.9	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	167.9	-176.4	68.7	0	0	0	0	112.3	V358 I359 I379 Y426 P429 P563	V358-S381 WeakPolarHBondContact CA-O 3.37Å; V358-S381 WeakPolarHBondContact CG2-OG 3.39Å; I359-S381 PolarHBondContact N-O 3.02Å; I379-S381 PolarHBondContact O-N 3.4Å; S381-Y426 VanDerWaalsContact CA-OH 3.27Å; S381-Y426 WeakPolarHBondContact CA-OH 3.43Å; S381-Y426 PolarHBondContact N-OH 3.06Å; S381-P429 WeakPolarHBondContact CA-O 3.39Å; S381-P429 WeakPolarHBondContact CB-O 3.49Å; S381-P563 WeakPolarHBondContact OG-CD 3.48Å
382	V	98.8	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138	173	62.2	0	0	0	0	111.5	I359 A369 V373 L384 L423 Y426 P429 V430 L431 P563	I359-V382 HydrophobicContact CB-CG2 4.27Å; I359-V382 CarbonylContact O-C 3.54Å; I359-V382 VanDerWaalsContact O-CA 3.3Å; I359-V382 WeakPolarHBondContact O-CA 3.41Å; I359-V382 WeakPolarHBondContact O-CG2 3.36Å; A369-V382 HydrophobicContact CB-CG2 4.21Å; V373-V382 HydrophobicContact CG1-CB 3.88Å; V373-V382 HydrophobicContact CG1-CG1 4.45Å; V373-V382 HydrophobicContact CG1-CG2 4.41Å; V373-V382 HydrophobicContact CG2-CB 4.46Å; V373-V382 HydrophobicContact CG2-CG1 4.28Å; V382-L384 HydrophobicContact CG2-CD2 3.61Å; V382-L384 HydrophobicContact CG2-CG 3.98Å; V382-L423 HydrophobicContact CG1-CD1 3.87Å; V382-Y426 HydrophobicContact CG1-CD1 4.13Å; V382-Y426 HydrophobicContact CG1-CE1 4.01Å; V382-P429 PolarHBondContact N-O 3.16Å; V382-P429 VanDerWaalsContact N-O 3.1Å; V382-V430 HydrophobicContact CG1-CB 4.23Å; V382-V430 HydrophobicContact CG1-CG1 4.14Å; V382-V430 HydrophobicContact CG1-CG2 3.78Å; V382-V430 WeakPolarHBondContact O-CA 3.45Å; V382-L431 PolarHBondContact O-N 3.34Å; V382-P563 WeakPolarHBondContact O-CG 3.45Å
383	V	98.8	Very high	97.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.7	172.9	-177.8	0	0	0	0	108.2	V358 I359 Y360 A361 L431 V433 F560 P563	V358-V383 HydrophobicContact CG1-CG2 4.2Å; I359-V383 PolarHBondContact O-N 2.74Å; Y360-V383 WeakPolarHBondContact CA-O 3.21Å; Y360-V383 HydrophobicContact CD2-CB 3.93Å; Y360-V383 HydrophobicContact CD2-CG1 3.86Å; Y360-V383 HydrophobicContact CE2-CG1 4.14Å; A361-V383 PolarHBondContact N-O 3.23Å; V383-L431 CarbonylContact C-O 3.46Å; V383-L431 WeakPolarHBondContact CA-O 3.3Å; V383-L431 HydrophobicContact CG1-CB 4.48Å; V383-L431 HydrophobicContact CG1-CD2 4.2Å; V383-L431 HydrophobicContact CG1-CG 4.45Å; V383-L431 HydrophobicContact CG2-CB 4.32Å; V383-L431 HydrophobicContact CG2-CD2 4.47Å; V383-V433 HydrophobicContact CG1-CG2 4.4Å; V383-F560 HydrophobicContact CB-CE2 4.19Å; V383-F560 HydrophobicContact CG1-CD2 4.45Å; V383-F560 HydrophobicContact CG1-CE2 4.28Å; V383-F560 HydrophobicContact CG2-CE2 4.07Å; V383-F560 HydrophobicContact CG2-CZ 4.44Å; V383-P563 HydrophobicContact CG2-CG 3.8Å
384	L	98.8	Very high	97.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106.2	179.5	-58	-178.2	0	0	0	109.6	A361 A369 V382 L423 L431 L432 V433 L457	A361-L384 HydrophobicContact CB-CD2 3.89Å; A369-L384 HydrophobicContact CB-CD2 3.94Å; V382-L384 HydrophobicContact CG2-CD2 3.61Å; V382-L384 HydrophobicContact CG2-CG 3.98Å; L384-L423 HydrophobicContact CD1-CD1 4.27Å; L384-L423 HydrophobicContact CD1-CD2 3.84Å; L384-L431 PolarHBondContact N-O 2.79Å; L384-L432 HydrophobicContact CB-CD2 3.87Å; L384-L432 HydrophobicContact CD1-CD2 3.84Å; L384-L432 HydrophobicContact CG-CD2 4.21Å; L384-L432 WeakPolarHBondContact O-CA 3.26Å; L384-V433 PolarHBondContact O-N 3.48Å; L384-L457 HydrophobicContact CD1-CD2 3.99Å
385	D	98.5	Very high	97.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.3	176.3	172.7	22.3	0	0	0	111	Y360 A361 W362 S363 S387 V433 R435 L555	Y360-D385 HydrophobicContact CE2-CB 3.74Å; Y360-D385 PolarHBondContact OH-OD2 2.65Å; A361-D385 PolarHBondContact O-N 2.86Å; W362-D385 CarbonylContact C-O 3.39Å; W362-D385 WeakPolarHBondContact CA-O 3.46Å; S363-D385 PolarHBondContact N-O 2.63Å; D385-S387 PolarHBondContact O-N 3.42Å; D385-S387 VanDerWaalsContact O-N 3.1Å; D385-V433 HydrophobicContact CB-CB 4.16Å; D385-R435 IonicContact OD1-CZ 2.85Å; D385-R435 IonicContact OD1-NE 3.75Å; D385-R435 PolarHBondContact OD1-NE 3.22Å; D385-R435 IonicContact OD1-NH2 3.7Å; D385-R435 PolarHBondContact OD1-NH2 2.83Å; D385-R435 IonicContact OD2-CZ 3.68Å; D385-R435 IonicContact OD2-NE 3.97Å; D385-R435 IonicContact OD2-NH2 3.31Å; D385-R435 PolarHBondContact OD2-NH2 3.32Å; D385-L555 HydrophobicContact CB-CD2 4.37Å
386	A	97.6	Very high	97.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	54	32.5	177.1	0	0	0	0	0	113.6	S363 V433 R435 I441 H551	S363-A386 VanDerWaalsContact CA-O 3.29Å; S363-A386 WeakPolarHBondContact CA-O 3.18Å; A386-V433 PolarHBondContact N-O 2.94Å; A386-R435 HydrophobicContact CB-CG 4.1Å; A386-I441 WeakPolarHBondContact O-CD1 3.29Å; A386-H551 PolarHBondContact O-CE1 3.28Å
387	S	98.1	Very high	97.1	Very high	6 Å²	6	22 Å²	22	4%	0.042	12%	0.117	C	C	.	.			trans	-96.4	173.7	-178.5	-156.6	0	0	0	0	112.6	S363 G366 D385 N419 I441	S363-S387 PolarHBondContact O-OG 3.1Å; G366-S387 WeakPolarHBondContact CA-OG 3.46Å; D385-S387 PolarHBondContact O-N 3.42Å; D385-S387 VanDerWaalsContact O-N 3.1Å; S387-N419 PolarHBondContact OG-ND2 2.82Å; S387-I441 VanDerWaalsContact O-CD1 3.23Å; S387-I441 WeakPolarHBondContact O-CD1 3.34Å
388	F	98.4	Very high	96.8	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.022	13%	0.126	C	C	.	.			trans	-130.9	166.6	-172.4	57.1	-95.1	0	0	0	111.4	I364 D390 L391 L394 L417 N419 I441 R453	I364-F388 HydrophobicContact CB-CE1 4.3Å; I364-F388 HydrophobicContact CG1-CE1 4.34Å; I364-F388 HydrophobicContact CG1-CZ 4.17Å; F388-D390 VanDerWaalsContact CD2-C 3.48Å; F388-L391 HydrophobicContact CE2-CB 4.06Å; F388-L394 HydrophobicContact CB-CD1 3.91Å; F388-L394 HydrophobicContact CD1-CD1 3.74Å; F388-L394 HydrophobicContact CD2-CD1 4.12Å; F388-L394 HydrophobicContact CE1-CD1 4.26Å; F388-L394 HydrophobicContact CG-CD1 3.66Å; F388-L417 HydrophobicContact CE2-CB 4.43Å; F388-N419 VanDerWaalsContact O-CB 3.3Å; F388-N419 WeakPolarHBondContact O-CB 3.21Å; F388-N419 PolarHBondContact O-ND2 3.18Å; F388-I441 HydrophobicContact CB-CG2 4.43Å; F388-I441 HydrophobicContact CD1-CG2 3.97Å; F388-R453 HydrophobicContact CB-CB 3.45Å; F388-R453 VanDerWaalsContact CB-CB 3.45Å; F388-R453 HydrophobicContact CB-CG 4.25Å
389	D	98.4	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-82.2	-43.1	178.7	70.1	-51.1	0	0	0	113.6	N418 N419 A420 R453 D456 L457 R460	D389-N418 CarbonylContact O-C 3.49Å; D389-N418 PolarHBondContact O-OD1 3.46Å; D389-N419 PolarHBondContact O-N 2.7Å; D389-A420 HydrophobicContact CB-CB 3.97Å; D389-A420 PolarHBondContact O-N 3.31Å; D389-A420 VanDerWaalsContact O-N 3.09Å; D389-R453 IonicContact OD1-CZ 2.77Å; D389-R453 IonicContact OD1-NE 3.91Å; D389-R453 PolarHBondContact OD1-NE 3.4Å; D389-R453 IonicContact OD1-NH2 3.73Å; D389-R453 PolarHBondContact OD1-NH2 3.05Å; D389-R453 IonicContact OD2-CZ 3.65Å; D389-R453 IonicContact OD2-NH2 3.23Å; D389-R453 PolarHBondContact OD2-NH2 3.03Å; D389-D456 HydrophobicContact CB-CB 4.07Å; D389-L457 HydrophobicContact CB-CB 3.94Å; D389-L457 HydrophobicContact CB-CD1 4.42Å; D389-R460 IonicContact OD2-CZ 3.71Å; D389-R460 IonicContact OD2-NH1 3.82Å; D389-R460 PolarHBondContact OD2-NH1 3.44Å; D389-R460 IonicContact OD2-NH2 2.9Å
390	D	97.6	Very high	96.1	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.037	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-149.9	138.7	-174.3	-169.3	-36	0	0	0	110	F388 L392 P393 R412	F388-D390 VanDerWaalsContact CD2-C 3.48Å; D390-L392 WeakPolarHBondContact OD1-CB 3.5Å; D390-L392 PolarHBondContact OD1-N 3.26Å; D390-P393 WeakPolarHBondContact O-CD 3.31Å; D390-R412 VanDerWaalsContact CG-NH1 3.32Å; D390-R412 IonicContact OD1-CZ 2.82Å; D390-R412 IonicContact OD1-NH1 2.97Å; D390-R412 PolarHBondContact OD1-NH1 3.2Å; D390-R412 VanDerWaalsContact OD1-NH1 3.08Å; D390-R412 IonicContact OD1-NH2 3.39Å; D390-R412 PolarHBondContact OD1-NH2 2.94Å; D390-R412 IonicContact OD2-CZ 3.06Å; D390-R412 IonicContact OD2-NH1 2.74Å; D390-R412 PolarHBondContact OD2-NH1 3.34Å; D390-R412 IonicContact OD2-NH2 2.86Å; D390-R412 PolarHBondContact OD2-NH2 3.23Å
391	L	97.2	Very high	95.8	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.052	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-32.3	177.7	174.9	67.5	0	0	0	113.6	L229 F388 L394 A395 V411 M415 L417	L229-L391 HydrophobicContact CD1-CD1 3.63Å; L229-L391 HydrophobicContact CD1-CD2 4.22Å; L229-L391 HydrophobicContact CD2-CD2 3.7Å; F388-L391 HydrophobicContact CE2-CB 4.06Å; L391-L394 WeakPolarHBondContact O-CB 3.39Å; L391-L394 PolarHBondContact O-N 3.05Å; L391-A395 PolarHBondContact O-N 3.47Å; L391-V411 HydrophobicContact CD2-CG1 4.09Å; L391-V411 HydrophobicContact CG-CG1 4.35Å; L391-M415 HydrophobicContact CD2-CB 4.16Å; L391-M415 WeakPolarHBondContact CD2-O 3.46Å; L391-L417 HydrophobicContact CB-CB 3.95Å; L391-L417 HydrophobicContact CB-CG 4.43Å; L391-L417 HydrophobicContact CD2-CB 4.45Å; L391-L417 HydrophobicContact CD2-CD1 3.98Å; L391-L417 HydrophobicContact CD2-CG 4.03Å; L391-L417 PolarHBondContact N-O 3.41Å
392	L	96.6	Very high	95.5	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.089	18%	0.178	C	C	.	.	H	α-helix	trans	-56	-46.9	-168.6	175.9	64.7	0	0	0	113.5	D390 L394 A395 L396 Q408 V411	D390-L392 WeakPolarHBondContact OD1-CB 3.5Å; D390-L392 PolarHBondContact OD1-N 3.26Å; L392-L394 VanDerWaalsContact C-N 3.28Å; L392-L394 PolarHBondContact O-N 3.49Å; L392-A395 PolarHBondContact O-N 3.4Å; L392-L396 HydrophobicContact CD1-CD1 4.03Å; L392-L396 HydrophobicContact CD1-CD2 4.48Å; L392-L396 HydrophobicContact CD1-CG 3.97Å; L392-L396 HydrophobicContact CG-CD1 4.05Å; L392-L396 HydrophobicContact CG-CG 4.4Å; L392-L396 WeakPolarHBondContact O-CG 3.37Å; L392-L396 PolarHBondContact O-N 3.33Å; L392-Q408 HydrophobicContact CD1-CB 4.08Å; L392-Q408 HydrophobicContact CD1-CG 4.32Å; L392-Q408 HydrophobicContact CD2-CG 3.96Å; L392-V411 HydrophobicContact CB-CG1 4.17Å; L392-V411 HydrophobicContact CD1-CB 4.23Å; L392-V411 HydrophobicContact CD1-CG1 4.33Å; L392-V411 HydrophobicContact CD1-CG2 4.49Å
393	P	96.3	Very high	95.1	Very high	37 Å²	37	36.6 Å²	36.6	24%	0.24	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-39.5	176.3	-25.2	35.7	0	0	0	113.3	D390 L396 K397 T443	D390-P393 WeakPolarHBondContact O-CD 3.31Å; P393-L396 PolarHBondContact O-N 3.43Å; P393-K397 PolarHBondContact O-N 3.4Å; P393-K397 VanDerWaalsContact O-N 3.09Å; P393-T443 HydrophobicContact CB-CG2 3.78Å
394	L	95.9	Very high	94.7	Very high	18 Å²	18	42.2 Å²	42.2	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-69.8	-40.2	178.8	-60.6	176.5	0	0	0	111.6	F388 L391 L392 L396 K397 V398 I441 T443 R453	F388-L394 HydrophobicContact CB-CD1 3.91Å; F388-L394 HydrophobicContact CD1-CD1 3.74Å; F388-L394 HydrophobicContact CD2-CD1 4.12Å; F388-L394 HydrophobicContact CE1-CD1 4.26Å; F388-L394 HydrophobicContact CG-CD1 3.66Å; L391-L394 WeakPolarHBondContact O-CB 3.39Å; L391-L394 PolarHBondContact O-N 3.05Å; L392-L394 VanDerWaalsContact C-N 3.28Å; L392-L394 PolarHBondContact O-N 3.49Å; L394-L396 VanDerWaalsContact C-N 3.33Å; L394-L396 PolarHBondContact O-N 3.13Å; L394-K397 WeakPolarHBondContact O-CB 3.37Å; L394-K397 PolarHBondContact O-N 3.36Å; L394-V398 PolarHBondContact O-N 3.45Å; L394-I441 HydrophobicContact CD1-CG2 4.29Å; L394-T443 HydrophobicContact CD2-CG2 4.36Å; L394-R453 HydrophobicContact CD1-CG 4.38Å; L394-R453 HydrophobicContact CD2-CG 3.63Å; L394-R453 HydrophobicContact CG-CG 3.98Å
395	A	94.3	Very high	94.3	Very high	18 Å²	18	46.7 Å²	46.7	15%	0.149	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-39	175.2	0	0	0	0	0	111.8	L391 L392 V398 M399 V407 V411	L391-A395 PolarHBondContact O-N 3.47Å; L392-A395 PolarHBondContact O-N 3.4Å; A395-V398 PolarHBondContact O-N 2.91Å; A395-M399 WeakPolarHBondContact O-CB 3.37Å; A395-M399 WeakPolarHBondContact O-CG 3.42Å; A395-M399 PolarHBondContact O-N 2.93Å; A395-M399 VanDerWaalsContact O-N 3.13Å; A395-V407 HydrophobicContact CB-CG1 3.95Å; A395-V411 HydrophobicContact CB-CG2 3.83Å
396	L	94.7	Very high	93.9	Very high	31 Å²	31	48.3 Å²	48.3	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-31.9	177.3	-69.7	176.1	0	0	0	112.8	L392 P393 L394 V398 R404 V407	L392-L396 HydrophobicContact CD1-CD1 4.03Å; L392-L396 HydrophobicContact CD1-CD2 4.48Å; L392-L396 HydrophobicContact CD1-CG 3.97Å; L392-L396 HydrophobicContact CG-CD1 4.05Å; L392-L396 HydrophobicContact CG-CG 4.4Å; L392-L396 WeakPolarHBondContact O-CG 3.37Å; L392-L396 PolarHBondContact O-N 3.33Å; P393-L396 PolarHBondContact O-N 3.43Å; L394-L396 VanDerWaalsContact C-N 3.33Å; L394-L396 PolarHBondContact O-N 3.13Å; L396-V398 VanDerWaalsContact C-N 3.31Å; L396-V398 PolarHBondContact O-N 3.38Å; L396-R404 HydrophobicContact CD2-CB 4.04Å; L396-R404 HydrophobicContact CD2-CG 3.76Å; L396-V407 HydrophobicContact CD2-CB 4.03Å; L396-V407 HydrophobicContact CD2-CG1 3.87Å; L396-V407 HydrophobicContact CG-CG1 4.5Å
397	K	92.6	Very high	93.6	Very high	79 Å²	79	48.9 Å²	48.9	34%	0.343	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-41.9	172.2	175.3	-169.2	-174.9	178.6	0	112.1	P393 L394 E439 T442 T444	P393-K397 PolarHBondContact O-N 3.4Å; P393-K397 VanDerWaalsContact O-N 3.09Å; L394-K397 WeakPolarHBondContact O-CB 3.37Å; L394-K397 PolarHBondContact O-N 3.36Å; K397-E439 PolarHBondContact NZ-O 3.21Å; K397-T442 WeakPolarHBondContact CD-O 3.47Å; K397-T442 WeakPolarHBondContact CE-O 3.26Å; K397-T442 PolarHBondContact NZ-O 3.47Å; K397-T442 PolarHBondContact NZ-OG1 3.48Å; K397-T444 WeakPolarHBondContact CE-O 3.38Å; K397-T444 PolarHBondContact NZ-O 3.38Å
398	V	89.6	Confident	93.4	Very high	100 Å²	100	52.2 Å²	52.2	61%	0.606	28%	0.276	S	S	*	.	H	α-helix	trans	-84.6	-30.2	-171.6	176.9	0	0	0	0	112.3	M228 L394 A395 L396	M228-V398 HydrophobicContact CE-CG1 4.22Å; L394-V398 PolarHBondContact O-N 3.45Å; A395-V398 PolarHBondContact O-N 2.91Å; L396-V398 VanDerWaalsContact C-N 3.31Å; L396-V398 PolarHBondContact O-N 3.38Å
399	M	90.5	Very high	93	Very high	39 Å²	39	53.9 Å²	53.9	19%	0.192	28%	0.283	C	S	.	.	S	Bend	trans	-91.5	154	-173.2	-64	-62.1	-65.5	0	0	112.3	A395 E401 W403 V407	A395-M399 WeakPolarHBondContact O-CB 3.37Å; A395-M399 WeakPolarHBondContact O-CG 3.42Å; A395-M399 PolarHBondContact O-N 2.93Å; A395-M399 VanDerWaalsContact O-N 3.13Å; M399-E401 PolarHBondContact O-N 3.47Å; M399-W403 HydrophobicContact CE-CE3 3.44Å; M399-W403 VanDerWaalsContact CE-CE3 3.44Å; M399-W403 HydrophobicContact CE-CZ3 3.7Å; M399-V407 HydrophobicContact CB-CG2 3.68Å; M399-V407 HydrophobicContact CE-CG2 4.23Å; M399-V407 HydrophobicContact CG-CG1 4.31Å; M399-V407 HydrophobicContact CG-CG2 3.78Å
400	P	90.6	Very high	92.6	Very high	67 Å²	67	54.4 Å²	54.4	44%	0.435	29%	0.287	S	S	.	.			trans	-59.4	137.6	175.5	-23	33.6	0	0	0	112.3	S402 W403	P400-S402 PolarHBondContact O-N 2.89Å; P400-S402 VanDerWaalsContact O-N 3.14Å; P400-W403 WeakPolarHBondContact O-CB 3.21Å; P400-W403 PolarHBondContact O-N 3.49Å
401	E	89.9	Confident	92.5	Very high	117 Å²	117	54.6 Å²	54.6	55%	0.547	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-58.3	-32.5	-178.1	-171.3	60.1	-156.3	0	0	112.5	M399 W403 R404	M399-E401 PolarHBondContact O-N 3.47Å; E401-W403 PolarHBondContact O-N 3.35Å; E401-W403 VanDerWaalsContact O-N 3.09Å; E401-R404 WeakPolarHBondContact O-CB 3.28Å; E401-R404 PolarHBondContact O-N 2.85Å; E401-R404 VanDerWaalsContact O-N 3.07Å; E401-R404 WeakPolarHBondContact OE1-CD 3.04Å; E401-R404 IonicContact OE1-CZ 3.04Å; E401-R404 IonicContact OE1-NE 2.87Å; E401-R404 IonicContact OE1-NH1 2.73Å; E401-R404 PolarHBondContact OE1-NH1 2.96Å
402	S	91.6	Very high	92.2	Very high	102 Å²	102	57.1 Å²	57.1	71%	0.713	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.9	-17.8	175.7	59.6	0	0	0	0	113.8	P400	P400-S402 PolarHBondContact O-N 2.89Å; P400-S402 VanDerWaalsContact O-N 3.14Å
403	W	90.3	Very high	91.9	Very high	111 Å²	111	61.9 Å²	61.9	42%	0.42	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-98.9	1.1	179.6	-68.3	19	0	0	0	112.8	F224 M399 P400 E401 L406 V407	F224-W403 HydrophobicContact CZ-CZ3 4.26Å; M399-W403 HydrophobicContact CE-CE3 3.44Å; M399-W403 VanDerWaalsContact CE-CE3 3.44Å; M399-W403 HydrophobicContact CE-CZ3 3.7Å; P400-W403 WeakPolarHBondContact O-CB 3.21Å; P400-W403 PolarHBondContact O-N 3.49Å; E401-W403 PolarHBondContact O-N 3.35Å; E401-W403 VanDerWaalsContact O-N 3.09Å; W403-L406 WeakPolarHBondContact O-CA 3.39Å; W403-L406 WeakPolarHBondContact O-CB 3.04Å; W403-L406 PolarHBondContact O-N 3.44Å; W403-V407 HydrophobicContact CB-CG2 4.08Å; W403-V407 WeakPolarHBondContact O-CG2 3.18Å; W403-V407 PolarHBondContact O-N 2.86Å
404	R	91.9	Very high	91.6	Very high	119 Å²	119	62.9 Å²	62.9	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-47.1	-47.9	-174.5	172.3	167.2	-174.3	164.5	5	114.9	L396 E401 L406 V407 Q408	L396-R404 HydrophobicContact CD2-CB 4.04Å; L396-R404 HydrophobicContact CD2-CG 3.76Å; E401-R404 WeakPolarHBondContact O-CB 3.28Å; E401-R404 PolarHBondContact O-N 2.85Å; E401-R404 VanDerWaalsContact O-N 3.07Å; E401-R404 WeakPolarHBondContact OE1-CD 3.04Å; E401-R404 IonicContact OE1-CZ 3.04Å; E401-R404 IonicContact OE1-NE 2.87Å; E401-R404 IonicContact OE1-NH1 2.73Å; E401-R404 PolarHBondContact OE1-NH1 2.96Å; R404-L406 VanDerWaalsContact C-N 3.33Å; R404-L406 PolarHBondContact O-N 2.88Å; R404-V407 PolarHBondContact O-N 3.21Å; R404-Q408 VanDerWaalsContact O-CB 3.31Å; R404-Q408 WeakPolarHBondContact O-CB 3.19Å; R404-Q408 PolarHBondContact O-N 2.94Å
405	P	90.3	Very high	91.5	Very high	97 Å²	97	62.4 Å²	62.4	63%	0.63	32%	0.316	S	S	*	.	H	α-helix	trans	-62.8	-37.8	178	-22.6	34.1	0	0	0	113.3	H409	P405-H409 WeakPolarHBondContact O-CB 3.5Å; P405-H409 PolarHBondContact O-N 3.07Å
406	L	89.8	Confident	91.5	Very high	35 Å²	35	63 Å²	63	18%	0.183	32%	0.316	C	S	.	.	H	α-helix	trans	-71.8	-42.5	179.2	178.1	62	0	0	0	111.4	I216 I220 W403 R404 H409 T410	I216-L406 HydrophobicContact CB-CD1 4.29Å; I216-L406 HydrophobicContact CG2-CD1 3.93Å; I216-L406 HydrophobicContact CG2-CD2 3.82Å; I216-L406 HydrophobicContact CG2-CG 4.49Å; I220-L406 HydrophobicContact CD1-CD1 4.38Å; I220-L406 HydrophobicContact CD1-CD2 3.62Å; I220-L406 HydrophobicContact CD1-CG 4.02Å; W403-L406 WeakPolarHBondContact O-CA 3.39Å; W403-L406 WeakPolarHBondContact O-CB 3.04Å; W403-L406 PolarHBondContact O-N 3.44Å; R404-L406 VanDerWaalsContact C-N 3.33Å; R404-L406 PolarHBondContact O-N 2.88Å; L406-H409 PolarHBondContact O-N 3.09Å; L406-T410 VanDerWaalsContact O-CB 3.3Å; L406-T410 WeakPolarHBondContact O-CB 3.44Å; L406-T410 PolarHBondContact O-N 3.37Å; L406-T410 PolarHBondContact O-OG1 3.32Å
407	V	91.7	Very high	91.6	Very high	12 Å²	12	61.5 Å²	61.5	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-48.7	174.9	175	0	0	0	0	109.8	A395 L396 M399 W403 R404 H409 T410 V411	A395-V407 HydrophobicContact CB-CG1 3.95Å; L396-V407 HydrophobicContact CD2-CB 4.03Å; L396-V407 HydrophobicContact CD2-CG1 3.87Å; L396-V407 HydrophobicContact CG-CG1 4.5Å; M399-V407 HydrophobicContact CB-CG2 3.68Å; M399-V407 HydrophobicContact CE-CG2 4.23Å; M399-V407 HydrophobicContact CG-CG1 4.31Å; M399-V407 HydrophobicContact CG-CG2 3.78Å; W403-V407 HydrophobicContact CB-CG2 4.08Å; W403-V407 WeakPolarHBondContact O-CG2 3.18Å; W403-V407 PolarHBondContact O-N 2.86Å; R404-V407 PolarHBondContact O-N 3.21Å; V407-H409 VanDerWaalsContact C-N 3.34Å; V407-H409 PolarHBondContact O-N 3.23Å; V407-T410 PolarHBondContact O-N 3.17Å; V407-V411 HydrophobicContact CG1-CG2 4.14Å; V407-V411 WeakPolarHBondContact O-CB 3.49Å; V407-V411 WeakPolarHBondContact O-CG2 3.38Å; V407-V411 PolarHBondContact O-N 3.09Å
408	Q	93	Very high	91.8	Very high	75 Å²	75	58 Å²	58	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-45.8	177	-179.3	175.7	-18	0	0	112	L392 R404 R412	L392-Q408 HydrophobicContact CD1-CB 4.08Å; L392-Q408 HydrophobicContact CD1-CG 4.32Å; L392-Q408 HydrophobicContact CD2-CG 3.96Å; R404-Q408 VanDerWaalsContact O-CB 3.31Å; R404-Q408 WeakPolarHBondContact O-CB 3.19Å; R404-Q408 PolarHBondContact O-N 2.94Å; Q408-R412 HydrophobicContact CG-CG 4.5Å; Q408-R412 VanDerWaalsContact O-CB 3.3Å; Q408-R412 WeakPolarHBondContact O-CB 3.32Å; Q408-R412 WeakPolarHBondContact O-CG 3.33Å; Q408-R412 PolarHBondContact O-N 2.68Å; Q408-R412 VanDerWaalsContact O-N 3.08Å
409	H	89.9	Confident	92.2	Very high	40 Å²	40	53.2 Å²	53.2	19%	0.185	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-49.4	175.7	-179.9	74.5	0	0	0	111.7	C213 H214 P405 L406 V407 R412 Q413	C213-H409 PolarHBondContact O-CD2 2.9Å; H214-H409 AromaticContact CD2-CE1 3.34Å; H214-H409 PolarHBondContact CD2-CE1 2.85Å; H214-H409 AromaticContact CD2-NE2 3.39Å; H214-H409 PolarHBondContact CD2-NE2 2.83Å; H214-H409 AromaticContact CE1-CE1 3.82Å; H214-H409 AromaticContact CG-CE1 3.84Å; H214-H409 AromaticContact CG-NE2 3.61Å; H214-H409 AromaticContact NE2-CE1 3.33Å; H214-H409 PolarHBondContact NE2-CE1 3.27Å; H214-H409 VanDerWaalsContact NE2-CE1 3.33Å; H214-H409 AromaticContact NE2-NE2 3.88Å; P405-H409 WeakPolarHBondContact O-CB 3.5Å; P405-H409 PolarHBondContact O-N 3.07Å; L406-H409 PolarHBondContact O-N 3.09Å; V407-H409 VanDerWaalsContact C-N 3.34Å; V407-H409 PolarHBondContact O-N 3.23Å; H409-R412 PolarHBondContact O-N 2.82Å; H409-Q413 WeakPolarHBondContact O-CB 3.47Å; H409-Q413 VanDerWaalsContact O-CG 3.25Å; H409-Q413 WeakPolarHBondContact O-CG 3.34Å; H409-Q413 PolarHBondContact O-N 3.46Å
410	T	91.5	Very high	92.5	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-47.8	-175.9	-56.3	0	0	0	0	111.9	G217 I220 A221 L406 V407 Q413 Y414	G217-T410 VanDerWaalsContact CA-OG1 3.26Å; G217-T410 WeakPolarHBondContact CA-OG1 3.28Å; G217-T410 WeakPolarHBondContact O-CG2 3.27Å; I220-T410 HydrophobicContact CB-CG2 4.36Å; I220-T410 HydrophobicContact CG2-CG2 4.11Å; A221-T410 HydrophobicContact CB-CG2 3.99Å; L406-T410 VanDerWaalsContact O-CB 3.3Å; L406-T410 WeakPolarHBondContact O-CB 3.44Å; L406-T410 PolarHBondContact O-N 3.37Å; L406-T410 PolarHBondContact O-OG1 3.32Å; V407-T410 PolarHBondContact O-N 3.17Å; T410-Q413 PolarHBondContact O-N 3.03Å; T410-Y414 HydrophobicContact CG2-CD2 4.3Å; T410-Y414 WeakPolarHBondContact O-CB 2.95Å; T410-Y414 PolarHBondContact O-N 2.77Å
411	V	93.6	Very high	92.8	Very high	12 Å²	12	52 Å²	52	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-52.6	177.5	169.2	0	0	0	0	109.9	L391 L392 A395 V407 Q413 M415 N416	L391-V411 HydrophobicContact CD2-CG1 4.09Å; L391-V411 HydrophobicContact CG-CG1 4.35Å; L392-V411 HydrophobicContact CB-CG1 4.17Å; L392-V411 HydrophobicContact CD1-CB 4.23Å; L392-V411 HydrophobicContact CD1-CG1 4.33Å; L392-V411 HydrophobicContact CD1-CG2 4.49Å; A395-V411 HydrophobicContact CB-CG2 3.83Å; V407-V411 HydrophobicContact CG1-CG2 4.14Å; V407-V411 WeakPolarHBondContact O-CB 3.49Å; V407-V411 WeakPolarHBondContact O-CG2 3.38Å; V407-V411 PolarHBondContact O-N 3.09Å; V411-Q413 VanDerWaalsContact C-N 3.29Å; V411-Q413 PolarHBondContact O-N 2.86Å; V411-M415 CarbonylContact O-C 3.56Å; V411-M415 WeakPolarHBondContact O-CA 3.11Å; V411-M415 PolarHBondContact O-N 2.79Å; V411-N416 WeakPolarHBondContact O-CA 3.49Å; V411-N416 PolarHBondContact O-N 2.96Å
412	R	92.4	Very high	93.2	Very high	63 Å²	63	46.7 Å²	46.7	24%	0.238	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-27.7	-176	-66	-60.5	-175.1	-164.7	-1.1	114.2	D390 Q408 H409 N416	D390-R412 VanDerWaalsContact CG-NH1 3.32Å; D390-R412 IonicContact OD1-CZ 2.82Å; D390-R412 IonicContact OD1-NH1 2.97Å; D390-R412 PolarHBondContact OD1-NH1 3.2Å; D390-R412 VanDerWaalsContact OD1-NH1 3.08Å; D390-R412 IonicContact OD1-NH2 3.39Å; D390-R412 PolarHBondContact OD1-NH2 2.94Å; D390-R412 IonicContact OD2-CZ 3.06Å; D390-R412 IonicContact OD2-NH1 2.74Å; D390-R412 PolarHBondContact OD2-NH1 3.34Å; D390-R412 IonicContact OD2-NH2 2.86Å; D390-R412 PolarHBondContact OD2-NH2 3.23Å; Q408-R412 HydrophobicContact CG-CG 4.5Å; Q408-R412 VanDerWaalsContact O-CB 3.3Å; Q408-R412 WeakPolarHBondContact O-CB 3.32Å; Q408-R412 WeakPolarHBondContact O-CG 3.33Å; Q408-R412 PolarHBondContact O-N 2.68Å; Q408-R412 VanDerWaalsContact O-N 3.08Å; H409-R412 PolarHBondContact O-N 2.82Å; R412-N416 WeakPolarHBondContact CD-OD1 3.32Å; R412-N416 PolarHBondContact NH1-OD1 2.99Å
413	Q	88.8	Confident	93.5	Very high	116 Å²	116	41.9 Å²	41.9	54%	0.542	19%	0.194	S	C	.	.	H	α-helix	trans	-88.2	-40.3	179.8	-69	-59	-61.4	0	0	113.2	H409 T410 V411	H409-Q413 WeakPolarHBondContact O-CB 3.47Å; H409-Q413 VanDerWaalsContact O-CG 3.25Å; H409-Q413 WeakPolarHBondContact O-CG 3.34Å; H409-Q413 PolarHBondContact O-N 3.46Å; T410-Q413 PolarHBondContact O-N 3.03Å; V411-Q413 VanDerWaalsContact C-N 3.29Å; V411-Q413 PolarHBondContact O-N 2.86Å
414	Y	90.7	Very high	93.8	Very high	59 Å²	59	37.6 Å²	37.6	23%	0.231	18%	0.18	C	C	.	.	H	α-helix	trans	-116.8	-24.6	-167.9	-58.2	-73.6	0	0	0	114.2	H214 F218 A221 P332 T410	H214-Y414 PolarHBondContact O-OH 2.88Å; F218-Y414 HydrophobicContact CB-CE1 4.45Å; F218-Y414 HydrophobicContact CB-CE2 4.36Å; F218-Y414 AromaticContact CD2-CE1 3.88Å; F218-Y414 HydrophobicContact CD2-CE1 3.88Å; A221-Y414 HydrophobicContact CB-CD2 3.98Å; A221-Y414 HydrophobicContact CB-CG 3.8Å; P332-Y414 WeakPolarHBondContact CD-O 3.42Å; T410-Y414 HydrophobicContact CG2-CD2 4.3Å; T410-Y414 WeakPolarHBondContact O-CB 2.95Å; T410-Y414 PolarHBondContact O-N 2.77Å
415	M	93.4	Very high	94	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.039	18%	0.181	C	C	.	.			trans	-133.5	45.3	-175.4	-57.9	-56.4	-64.3	0	0	111.2	L229 Y230 F331 L391 V411 L417	L229-M415 HydrophobicContact CD2-CB 4.28Å; L229-M415 HydrophobicContact CD2-CE 3.28Å; L229-M415 HydrophobicContact CD2-CG 4.34Å; L229-M415 HydrophobicContact CG-CE 4.44Å; Y230-M415 HydrophobicContact CD2-CE 4.26Å; Y230-M415 HydrophobicContact CE2-CE 3.91Å; F331-M415 HydrophobicContact CD1-SD 3.48Å; F331-M415 WeakPolarHBondContact CD1-SD 3.48Å; F331-M415 HydrophobicContact CE1-SD 3.79Å; L391-M415 HydrophobicContact CD2-CB 4.16Å; L391-M415 WeakPolarHBondContact CD2-O 3.46Å; V411-M415 CarbonylContact O-C 3.56Å; V411-M415 WeakPolarHBondContact O-CA 3.11Å; V411-M415 PolarHBondContact O-N 2.79Å; M415-L417 VanDerWaalsContact C-N 3.29Å; M415-L417 PolarHBondContact O-N 3.39Å
416	N	94.6	Very high	94.4	Very high	29 Å²	29	32.3 Å²	32.3	16%	0.155	15%	0.151	C	C	.	.			trans	-76.8	80.8	-175.9	-170.5	46.8	0	0	0	110.8	V411 R412 N418	V411-N416 WeakPolarHBondContact O-CA 3.49Å; V411-N416 PolarHBondContact O-N 2.96Å; R412-N416 WeakPolarHBondContact CD-OD1 3.32Å; R412-N416 PolarHBondContact NH1-OD1 2.99Å; N416-N418 PolarHBondContact O-N 3.09Å
417	L	96.5	Very high	94.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.			trans	-90.2	91.4	175.4	-44.8	-178.2	0	0	0	108.9	L229 P332 I364 F367 F388 L391 M415	L229-L417 HydrophobicContact CD2-CD1 4.03Å; P332-L417 HydrophobicContact CB-CD2 4.22Å; P332-L417 HydrophobicContact CG-CD2 3.78Å; I364-L417 HydrophobicContact CD1-CD1 3.7Å; I364-L417 HydrophobicContact CG1-CD1 3.68Å; F367-L417 HydrophobicContact CB-CB 4.25Å; F367-L417 HydrophobicContact CB-CD2 4.27Å; F367-L417 HydrophobicContact CD1-CD2 3.75Å; F367-L417 HydrophobicContact CD2-CB 3.79Å; F367-L417 HydrophobicContact CD2-CD2 3.71Å; F367-L417 HydrophobicContact CD2-CG 4.35Å; F367-L417 HydrophobicContact CE1-CD2 3.97Å; F367-L417 HydrophobicContact CE2-CB 4.41Å; F367-L417 HydrophobicContact CE2-CD2 3.89Å; F367-L417 HydrophobicContact CG-CB 4.13Å; F367-L417 HydrophobicContact CG-CD2 3.62Å; F367-L417 HydrophobicContact CG-CG 4.38Å; F367-L417 HydrophobicContact CZ-CD2 4.03Å; F388-L417 HydrophobicContact CE2-CB 4.43Å; L391-L417 HydrophobicContact CB-CB 3.95Å; L391-L417 HydrophobicContact CB-CG 4.43Å; L391-L417 HydrophobicContact CD2-CB 4.45Å; L391-L417 HydrophobicContact CD2-CD1 3.98Å; L391-L417 HydrophobicContact CD2-CG 4.03Å; L391-L417 PolarHBondContact N-O 3.41Å; M415-L417 VanDerWaalsContact C-N 3.29Å; M415-L417 PolarHBondContact O-N 3.39Å
418	N	96.7	Very high	94.8	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.032	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-114.3	89.8	177	-167.3	-27.5	0	0	0	109.6	D389 N416 A420 E421	D389-N418 CarbonylContact O-C 3.49Å; D389-N418 PolarHBondContact O-OD1 3.46Å; N416-N418 PolarHBondContact O-N 3.09Å; N418-A420 VanDerWaalsContact C-N 3.32Å; N418-A420 PolarHBondContact OD1-N 2.8Å; N418-E421 HydrophobicContact CB-CB 4.3Å; N418-E421 HydrophobicContact CB-CG 4.46Å; N418-E421 VanDerWaalsContact ND2-CG 3.3Å; N418-E421 WeakPolarHBondContact ND2-CG 3.37Å; N418-E421 PolarHBondContact ND2-OE1 3.01Å; N418-E421 PolarHBondContact ND2-OE2 2.86Å; N418-E421 PolarHBondContact OD1-N 3.39Å
419	N	98.1	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.1	-35.3	-175.5	-53.3	-6	0	0	0	110.2	F367 S370 S387 F388 D389 Q422 L423	F367-N419 WeakPolarHBondContact CA-OD1 3.31Å; F367-N419 VanDerWaalsContact CB-OD1 3.29Å; F367-N419 WeakPolarHBondContact CB-OD1 3.27Å; F367-N419 PolarHBondContact N-OD1 2.86Å; S370-N419 WeakPolarHBondContact OG-CA 3.5Å; S387-N419 PolarHBondContact OG-ND2 2.82Å; F388-N419 VanDerWaalsContact O-CB 3.3Å; F388-N419 WeakPolarHBondContact O-CB 3.21Å; F388-N419 PolarHBondContact O-ND2 3.18Å; D389-N419 PolarHBondContact O-N 2.7Å; N419-Q422 PolarHBondContact O-N 3.25Å; N419-L423 WeakPolarHBondContact O-CB 3.12Å; N419-L423 PolarHBondContact O-N 3.26Å
420	A	98.1	Very high	95.4	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-45.4	-179.9	0	0	0	0	0	112.2	D389 N418 Q422 L423 V424 L457 R460	D389-A420 HydrophobicContact CB-CB 3.97Å; D389-A420 PolarHBondContact O-N 3.31Å; D389-A420 VanDerWaalsContact O-N 3.09Å; N418-A420 VanDerWaalsContact C-N 3.32Å; N418-A420 PolarHBondContact OD1-N 2.8Å; A420-Q422 PolarHBondContact O-N 3.22Å; A420-L423 PolarHBondContact O-N 2.95Å; A420-V424 WeakPolarHBondContact O-CG1 3.27Å; A420-V424 WeakPolarHBondContact O-CG2 3.24Å; A420-V424 PolarHBondContact O-N 3.49Å; A420-L457 HydrophobicContact CB-CD1 3.93Å; A420-R460 HydrophobicContact CB-CB 4.11Å; A420-R460 HydrophobicContact CB-CG 4.44Å
421	E	96.5	Very high	95.8	Very high	78 Å²	78	29.6 Å²	29.6	36%	0.364	14%	0.142	S	C	.	.	H	α-helix	trans	-62.2	-29.2	177.8	-79.5	178.4	-170.2	0	0	113.3	L191 N418 V424	L191-E421 HydrophobicContact CD2-CB 3.56Å; N418-E421 HydrophobicContact CB-CB 4.3Å; N418-E421 HydrophobicContact CB-CG 4.46Å; N418-E421 VanDerWaalsContact ND2-CG 3.3Å; N418-E421 WeakPolarHBondContact ND2-CG 3.37Å; N418-E421 PolarHBondContact ND2-OE1 3.01Å; N418-E421 PolarHBondContact ND2-OE2 2.86Å; N418-E421 PolarHBondContact OD1-N 3.39Å; E421-V424 WeakPolarHBondContact O-CG2 3.07Å
422	Q	97.6	Very high	96	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.023	14%	0.14	C	C	.	.	H	α-helix	trans	-79.5	-48.8	174.6	-66.2	174.9	-6.9	0	0	111	L191 F367 S370 M374 N419 A420 V424 K425	L191-Q422 HydrophobicContact CB-CG 4.41Å; L191-Q422 HydrophobicContact CD2-CG 4.19Å; F367-Q422 PolarHBondContact O-OE1 3.24Å; S370-Q422 PolarHBondContact OG-OE1 3.04Å; M374-Q422 HydrophobicContact CE-CG 4.3Å; M374-Q422 HydrophobicContact SD-CB 4.1Å; M374-Q422 HydrophobicContact SD-CG 4.01Å; N419-Q422 PolarHBondContact O-N 3.25Å; A420-Q422 PolarHBondContact O-N 3.22Å; Q422-V424 VanDerWaalsContact C-N 3.35Å; Q422-V424 PolarHBondContact O-N 3.46Å; Q422-K425 WeakPolarHBondContact O-CB 3.46Å; Q422-K425 PolarHBondContact O-N 3.31Å; Q422-K425 VanDerWaalsContact O-N 3.15Å
423	L	98.1	Very high	96.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-63.3	-36.3	-174.3	-172.1	66.3	0	0	0	113	V373 V382 L384 N419 A420 K425 Y426 V430 L432 L457 L461	V373-L423 HydrophobicContact CG2-CD1 4.42Å; V382-L423 HydrophobicContact CG1-CD1 3.87Å; L384-L423 HydrophobicContact CD1-CD1 4.27Å; L384-L423 HydrophobicContact CD1-CD2 3.84Å; N419-L423 WeakPolarHBondContact O-CB 3.12Å; N419-L423 PolarHBondContact O-N 3.26Å; A420-L423 PolarHBondContact O-N 2.95Å; L423-K425 PolarHBondContact O-N 2.91Å; L423-Y426 WeakPolarHBondContact O-CB 3.12Å; L423-Y426 PolarHBondContact O-N 3.04Å; L423-Y426 VanDerWaalsContact O-N 3.1Å; L423-V430 HydrophobicContact CD1-CG1 4.26Å; L423-V430 HydrophobicContact CD1-CG2 3.98Å; L423-V430 HydrophobicContact CD2-CG1 4.15Å; L423-L432 HydrophobicContact CD2-CD2 4.41Å; L423-L457 HydrophobicContact CD2-CD1 3.74Å; L423-L457 HydrophobicContact CD2-CG 4.24Å; L423-L461 HydrophobicContact CD2-CD1 4.46Å; L423-L461 HydrophobicContact CD2-CD2 4.24Å; L423-L461 HydrophobicContact CG-CD1 4.25Å
424	V	97.3	Very high	96.7	Very high	21 Å²	21	21.2 Å²	21.2	13%	0.127	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.5	178.7	-67.5	0	0	0	0	113.3	A420 E421 Q422 Y426 F464	A420-V424 WeakPolarHBondContact O-CG1 3.27Å; A420-V424 WeakPolarHBondContact O-CG2 3.24Å; A420-V424 PolarHBondContact O-N 3.49Å; E421-V424 WeakPolarHBondContact O-CG2 3.07Å; Q422-V424 VanDerWaalsContact C-N 3.35Å; Q422-V424 PolarHBondContact O-N 3.46Å; V424-Y426 VanDerWaalsContact C-N 3.33Å; V424-F464 HydrophobicContact CB-CB 3.95Å; V424-F464 HydrophobicContact CB-CD1 3.77Å; V424-F464 HydrophobicContact CB-CD2 4.06Å; V424-F464 HydrophobicContact CB-CE1 4.29Å; V424-F464 HydrophobicContact CB-CG 3.64Å; V424-F464 HydrophobicContact CG1-CB 3.63Å; V424-F464 HydrophobicContact CG1-CD1 4.37Å; V424-F464 HydrophobicContact CG1-CG 3.94Å; V424-F464 HydrophobicContact CG2-CD2 4.36Å; V424-F464 HydrophobicContact CG2-CG 4.42Å; V424-F464 VanDerWaalsContact O-CD1 3.29Å; V424-F464 WeakPolarHBondContact O-CD1 3.1Å; V424-F464 WeakPolarHBondContact O-CE1 3.29Å
425	K	96.3	Very high	96.9	Very high	105 Å²	105	18.5 Å²	18.5	46%	0.457	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.9	178.7	-62	-176.7	177.4	-152.7	0	112.9	M374 Q422 L423 Q427	M374-K425 HydrophobicContact CG-CB 3.94Å; M374-K425 HydrophobicContact CG-CD 3.92Å; M374-K425 HydrophobicContact SD-CD 3.7Å; Q422-K425 WeakPolarHBondContact O-CB 3.46Å; Q422-K425 PolarHBondContact O-N 3.31Å; Q422-K425 VanDerWaalsContact O-N 3.15Å; L423-K425 PolarHBondContact O-N 2.91Å; K425-Q427 PolarHBondContact O-NE2 2.97Å
426	Y	97	Very high	97	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	10%	0.099	C	C	.	.			trans	-77.7	127.7	177.9	176.9	-125.1	0	0	0	110.7	V373 I379 Q380 S381 V382 L423 V424 G428 P429 V430 R465	V373-Y426 HydrophobicContact CB-CD1 3.95Å; V373-Y426 HydrophobicContact CB-CD2 3.66Å; V373-Y426 HydrophobicContact CB-CE1 4.19Å; V373-Y426 HydrophobicContact CB-CE2 3.93Å; V373-Y426 HydrophobicContact CB-CG 3.66Å; V373-Y426 HydrophobicContact CG1-CE1 4.47Å; V373-Y426 HydrophobicContact CG2-CD1 3.8Å; V373-Y426 HydrophobicContact CG2-CD2 4.18Å; V373-Y426 HydrophobicContact CG2-CE1 4.4Å; V373-Y426 HydrophobicContact CG2-CG 3.65Å; V373-Y426 WeakPolarHBondContact O-CD2 3.12Å; I379-Y426 PolarHBondContact O-OH 3.31Å; Q380-Y426 PolarHBondContact O-OH 2.83Å; S381-Y426 VanDerWaalsContact CA-OH 3.27Å; S381-Y426 WeakPolarHBondContact CA-OH 3.43Å; S381-Y426 PolarHBondContact N-OH 3.06Å; V382-Y426 HydrophobicContact CG1-CD1 4.13Å; V382-Y426 HydrophobicContact CG1-CE1 4.01Å; L423-Y426 WeakPolarHBondContact O-CB 3.12Å; L423-Y426 PolarHBondContact O-N 3.04Å; L423-Y426 VanDerWaalsContact O-N 3.1Å; V424-Y426 VanDerWaalsContact C-N 3.33Å; Y426-G428 WeakPolarHBondContact CE1-O 3.41Å; Y426-G428 WeakPolarHBondContact OH-CA 3.19Å; Y426-P429 WeakPolarHBondContact CE1-O 3.35Å; Y426-V430 HydrophobicContact CD1-CG2 3.92Å; Y426-V430 HydrophobicContact CE1-CG2 4.21Å; Y426-R465 PolarHBondContact O-NH2 3.35Å
427	Q	95.1	Very high	96.9	Very high	71 Å²	71	24.2 Å²	24.2	33%	0.332	12%	0.116	S	C	.	.			trans	-88.2	-19.9	-176.4	-60.8	-58.6	-44.9	0	0	112.9	K425 F519	K425-Q427 PolarHBondContact O-NE2 2.97Å; Q427-F519 WeakPolarHBondContact O-CE2 3.21Å
428	G	95.4	Very high	96.8	Very high	17 Å²	17	24.3 Å²	24.3	18%	0.175	12%	0.116	C	C	.	.	S	Bend	trans	-81.8	-174.2	-174	0	0	0	0	0	114.9	Y426 R465	Y426-G428 WeakPolarHBondContact CE1-O 3.41Å; Y426-G428 WeakPolarHBondContact OH-CA 3.19Å; G428-R465 PolarHBondContact O-NH1 2.98Å; G428-R465 VanDerWaalsContact O-NH1 3.09Å; G428-R465 PolarHBondContact O-NH2 3.07Å
429	P	97.6	Very high	96.7	Very high	22 Å²	22	27.4 Å²	27.4	14%	0.143	13%	0.131	C	C	.	.			trans	-67.4	138	-176.8	-23.9	37.2	0	0	0	113.8	Q380 S381 V382 Y426 P563 R565	Q380-P429 VanDerWaalsContact O-CD 3.3Å; Q380-P429 WeakPolarHBondContact O-CD 3.43Å; S381-P429 WeakPolarHBondContact CA-O 3.39Å; S381-P429 WeakPolarHBondContact CB-O 3.49Å; V382-P429 PolarHBondContact N-O 3.16Å; V382-P429 VanDerWaalsContact N-O 3.1Å; Y426-P429 WeakPolarHBondContact CE1-O 3.35Å; P429-P563 HydrophobicContact CB-CB 3.68Å; P429-R565 HydrophobicContact CB-CG 4.14Å; P429-R565 HydrophobicContact CG-CG 3.56Å
430	V	98.6	Very high	96.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.9	-179.1	178.7	0	0	0	0	109.7	V382 L423 Y426 L432 L461 Y543	V382-V430 HydrophobicContact CG1-CB 4.23Å; V382-V430 HydrophobicContact CG1-CG1 4.14Å; V382-V430 HydrophobicContact CG1-CG2 3.78Å; V382-V430 WeakPolarHBondContact O-CA 3.45Å; L423-V430 HydrophobicContact CD1-CG1 4.26Å; L423-V430 HydrophobicContact CD1-CG2 3.98Å; L423-V430 HydrophobicContact CD2-CG1 4.15Å; Y426-V430 HydrophobicContact CD1-CG2 3.92Å; Y426-V430 HydrophobicContact CE1-CG2 4.21Å; V430-L432 HydrophobicContact CG1-CD2 3.84Å; V430-L432 HydrophobicContact CG1-CG 4.29Å; V430-L461 HydrophobicContact CB-CD2 4.02Å; V430-L461 HydrophobicContact CG1-CD2 3.8Å; V430-L461 HydrophobicContact CG2-CD2 4.27Å; V430-Y543 HydrophobicContact CB-CD1 4.17Å; V430-Y543 HydrophobicContact CB-CE1 4.24Å
431	L	98.8	Very high	96.3	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.5	167.2	177	62.1	0	0	0	109.6	V382 V383 L384 V433 R545 H561 P563	V382-L431 PolarHBondContact O-N 3.34Å; V383-L431 CarbonylContact C-O 3.46Å; V383-L431 WeakPolarHBondContact CA-O 3.3Å; V383-L431 HydrophobicContact CG1-CB 4.48Å; V383-L431 HydrophobicContact CG1-CD2 4.2Å; V383-L431 HydrophobicContact CG1-CG 4.45Å; V383-L431 HydrophobicContact CG2-CB 4.32Å; V383-L431 HydrophobicContact CG2-CD2 4.47Å; L384-L431 PolarHBondContact N-O 2.79Å; L431-V433 HydrophobicContact CD2-CG2 4.37Å; L431-V433 HydrophobicContact CG-CG2 4.29Å; L431-R545 HydrophobicContact CD1-CB 4.48Å; L431-R545 HydrophobicContact CD1-CG 4.06Å; L431-H561 HydrophobicContact CD2-CB 4.09Å; L431-H561 WeakPolarHBondContact CD2-O 3.49Å; L431-P563 HydrophobicContact CB-CB 3.9Å; L431-P563 HydrophobicContact CB-CG 3.68Å
432	L	98.8	Very high	96.2	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.1	170.7	-52.6	-177.6	0	0	0	108.7	L384 L423 V430 L457 L458 Y543 M544 R545	L384-L432 HydrophobicContact CB-CD2 3.87Å; L384-L432 HydrophobicContact CD1-CD2 3.84Å; L384-L432 HydrophobicContact CG-CD2 4.21Å; L384-L432 WeakPolarHBondContact O-CA 3.26Å; L423-L432 HydrophobicContact CD2-CD2 4.41Å; V430-L432 HydrophobicContact CG1-CD2 3.84Å; V430-L432 HydrophobicContact CG1-CG 4.29Å; L432-L457 HydrophobicContact CD1-CD2 4.41Å; L432-L457 HydrophobicContact CD1-CG 4.16Å; L432-L457 HydrophobicContact CD2-CD2 3.89Å; L432-L457 HydrophobicContact CD2-CG 4.33Å; L432-L458 HydrophobicContact CD1-CB 3.79Å; L432-L458 HydrophobicContact CD1-CD1 4.04Å; L432-Y543 PolarHBondContact N-O 3.33Å; L432-M544 HydrophobicContact CB-CB 4.31Å; L432-M544 HydrophobicContact CB-CE 4.25Å; L432-M544 HydrophobicContact CB-CG 4.4Å; L432-M544 HydrophobicContact CD1-CE 4.12Å; L432-M544 CarbonylContact O-C 3.53Å; L432-M544 VanDerWaalsContact O-CA 3.28Å; L432-M544 WeakPolarHBondContact O-CA 3.19Å; L432-R545 PolarHBondContact O-N 3.27Å
433	V	98.4	Very high	96	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.042	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	107.1	170.4	-177.5	0	0	0	0	107.7	V383 L384 D385 A386 L431 R545 F547 L555	V383-V433 HydrophobicContact CG1-CG2 4.4Å; L384-V433 PolarHBondContact O-N 3.48Å; D385-V433 HydrophobicContact CB-CB 4.16Å; A386-V433 PolarHBondContact N-O 2.94Å; L431-V433 HydrophobicContact CD2-CG2 4.37Å; L431-V433 HydrophobicContact CG-CG2 4.29Å; V433-R545 CarbonylContact C-O 3.57Å; V433-R545 WeakPolarHBondContact CA-O 3.34Å; V433-F547 HydrophobicContact CG1-CB 3.78Å; V433-L555 HydrophobicContact CG1-CD1 4.04Å
434	R	97.1	Very high	95.5	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.011	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.2	178.9	-177.5	179.4	71.6	154.1	7.9	109.4	N455 L482 M544 R545 N546 F547	R434-N455 WeakPolarHBondContact CD-OD1 3.3Å; R434-N455 PolarHBondContact NH1-OD1 2.98Å; R434-L482 PolarHBondContact NH1-O 3.13Å; R434-L482 PolarHBondContact NH2-O 3.05Å; R434-M544 HydrophobicContact CB-CE 4.1Å; R434-M544 HydrophobicContact CB-CG 4.01Å; R434-M544 HydrophobicContact CB-SD 3.77Å; R434-M544 HydrophobicContact CG-SD 4.33Å; R434-R545 PolarHBondContact N-O 2.97Å; R434-N546 PolarHBondContact NE-OD1 3.09Å; R434-N546 PolarHBondContact NH2-ND2 2.98Å; R434-N546 PolarHBondContact NH2-OD1 3.24Å; R434-N546 CarbonylContact O-C 3.54Å; R434-N546 WeakPolarHBondContact O-CA 3.44Å; R434-F547 PolarHBondContact O-N 2.96Å
435	R	95.6	Very high	94.6	Very high	2 Å²	2	38 Å²	38	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.7	173.1	-67.4	-179	-178.9	-111.2	0.6	110	D385 A386 R437 D438 N452 F547 T550 T553	D385-R435 IonicContact OD1-CZ 2.85Å; D385-R435 IonicContact OD1-NE 3.75Å; D385-R435 PolarHBondContact OD1-NE 3.22Å; D385-R435 IonicContact OD1-NH2 3.7Å; D385-R435 PolarHBondContact OD1-NH2 2.83Å; D385-R435 IonicContact OD2-CZ 3.68Å; D385-R435 IonicContact OD2-NE 3.97Å; D385-R435 IonicContact OD2-NH2 3.31Å; D385-R435 PolarHBondContact OD2-NH2 3.32Å; A386-R435 HydrophobicContact CB-CG 4.1Å; R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 3.12Å; R435-D438 HydrophobicContact CB-CB 3.97Å; R435-D438 WeakPolarHBondContact O-CB 3.44Å; R435-N452 PolarHBondContact O-ND2 3.27Å; R435-F547 WeakPolarHBondContact CA-O 3.22Å; R435-F547 HydrophobicContact CG-CD1 4.33Å; R435-T550 WeakPolarHBondContact CD-O 3.21Å; R435-T550 PolarHBondContact NH1-O 3.26Å; R435-T553 PolarHBondContact NH1-O 3.23Å; R435-T553 PolarHBondContact NH2-O 3.46Å
436	T	94.1	Very high	93.8	Very high	20 Å²	20	34.6 Å²	34.6	12%	0.123	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.3	-171.5	60.2	0	0	0	0	113.7	I449 N546 F547 E548	T436-I449 HydrophobicContact CG2-CD1 4.11Å; T436-N546 HydrophobicContact CG2-CB 3.75Å; T436-F547 PolarHBondContact N-O 3.33Å; T436-F547 VanDerWaalsContact N-O 3.1Å; T436-E548 WeakPolarHBondContact OG1-CA 3.39Å
437	R	93.8	Very high	93	Very high	137 Å²	137	42.1 Å²	42.1	52%	0.517	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	33.7	177.6	-51.4	-173.4	-169.8	179.2	0.8	112.2	R435 E439 E548 S549 T550	R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 3.12Å; R437-E439 PolarHBondContact O-N 3.03Å; R437-E548 IonicContact CZ-OE1 2.97Å; R437-E548 IonicContact NE-OE1 3.77Å; R437-E548 PolarHBondContact NE-OE1 2.86Å; R437-E548 IonicContact NH2-OE1 3.66Å; R437-E548 PolarHBondContact NH2-OE1 2.93Å; R437-S549 CarbonylContact C-O 3.6Å; R437-S549 WeakPolarHBondContact CB-O 3.29Å; R437-S549 PolarHBondContact N-O 2.94Å; R437-T550 HydrophobicContact CB-CG2 4.5Å
438	D	94.5	Very high	92.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.219	C	C	.	.			trans	-76.5	118.7	-173.2	-159.7	-58.2	0	0	0	112.8	R435 I440 I441 T442 H551	R435-D438 HydrophobicContact CB-CB 3.97Å; R435-D438 WeakPolarHBondContact O-CB 3.44Å; D438-I440 PolarHBondContact OD1-N 3.24Å; D438-I441 HydrophobicContact CB-CG1 4.06Å; D438-I441 VanDerWaalsContact OD1-CG1 3.23Å; D438-I441 WeakPolarHBondContact OD1-CG1 3.42Å; D438-I441 PolarHBondContact OD1-N 3.03Å; D438-I441 VanDerWaalsContact OD2-CG1 3.32Å; D438-I441 WeakPolarHBondContact OD2-CG1 3.47Å; D438-T442 WeakPolarHBondContact O-CB 3.37Å; D438-T442 WeakPolarHBondContact O-CG2 3.31Å; D438-T442 PolarHBondContact O-OG1 3.4Å; D438-H551 VanDerWaalsContact CG-ND1 3.25Å; D438-H551 IonicContact OD1-CG 2.79Å; D438-H551 IonicContact OD1-ND1 3.45Å; D438-H551 PolarHBondContact OD1-ND1 3.01Å; D438-H551 IonicContact OD2-CE1 2.94Å; D438-H551 IonicContact OD2-CG 3.43Å; D438-H551 IonicContact OD2-ND1 2.73Å; D438-H551 PolarHBondContact OD2-ND1 3.47Å
439	E	93.3	Very high	92.6	Very high	71 Å²	71	41.3 Å²	41.3	33%	0.332	21%	0.213	S	C	.	.	S	Bend	trans	-90.2	-14.4	-178.8	73.1	-77.1	-169.3	0	0	114.1	K397 R437 T442 A446 H551	K397-E439 PolarHBondContact NZ-O 3.21Å; R437-E439 PolarHBondContact O-N 3.03Å; E439-T442 PolarHBondContact O-OG1 2.89Å; E439-A446 HydrophobicContact CB-CB 3.93Å; E439-H551 WeakPolarHBondContact OE2-CB 3.49Å; E439-H551 PolarHBondContact OE2-N 2.95Å
440	I	93.8	Very high	92.5	Very high	79 Å²	79	43.1 Å²	43.1	41%	0.405	22%	0.22	S	C	.	.	S	Bend	trans	-99.5	-48	-170	-58.7	-59.2	0	0	0	111.5	D438 T442 H551	D438-I440 PolarHBondContact OD1-N 3.24Å; I440-T442 VanDerWaalsContact C-N 3.35Å; I440-H551 HydrophobicContact CB-CB 3.98Å; I440-H551 HydrophobicContact CG1-CB 3.56Å
441	I	94.6	Very high	92.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.222	C	C	.	.	S	Bend	trans	-95.1	15.3	-178.4	60.6	149.3	0	0	0	113.5	A386 S387 F388 L394 D438 N452 R453	A386-I441 WeakPolarHBondContact O-CD1 3.29Å; S387-I441 VanDerWaalsContact O-CD1 3.23Å; S387-I441 WeakPolarHBondContact O-CD1 3.34Å; F388-I441 HydrophobicContact CB-CG2 4.43Å; F388-I441 HydrophobicContact CD1-CG2 3.97Å; L394-I441 HydrophobicContact CD1-CG2 4.29Å; D438-I441 HydrophobicContact CB-CG1 4.06Å; D438-I441 VanDerWaalsContact OD1-CG1 3.23Å; D438-I441 WeakPolarHBondContact OD1-CG1 3.42Å; D438-I441 PolarHBondContact OD1-N 3.03Å; D438-I441 VanDerWaalsContact OD2-CG1 3.32Å; D438-I441 WeakPolarHBondContact OD2-CG1 3.47Å; I441-N452 VanDerWaalsContact CD1-OD1 3.26Å; I441-N452 WeakPolarHBondContact CD1-OD1 3.39Å; I441-R453 WeakPolarHBondContact O-CB 3.43Å; I441-R453 VanDerWaalsContact O-CG 3.31Å; I441-R453 WeakPolarHBondContact O-CG 3.26Å; I441-R453 PolarHBondContact O-N 3.36Å
442	T	94.2	Very high	92.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-89.7	147.9	167.4	41.9	0	0	0	0	110.9	K397 D438 E439 I440 S451 N452	K397-T442 WeakPolarHBondContact CD-O 3.47Å; K397-T442 WeakPolarHBondContact CE-O 3.26Å; K397-T442 PolarHBondContact NZ-O 3.47Å; K397-T442 PolarHBondContact NZ-OG1 3.48Å; D438-T442 WeakPolarHBondContact O-CB 3.37Å; D438-T442 WeakPolarHBondContact O-CG2 3.31Å; D438-T442 PolarHBondContact O-OG1 3.4Å; E439-T442 PolarHBondContact O-OG1 2.89Å; I440-T442 VanDerWaalsContact C-N 3.35Å; T442-S451 WeakPolarHBondContact CA-O 3.2Å; T442-S451 WeakPolarHBondContact CB-OG 3.48Å; T442-S451 WeakPolarHBondContact CG2-OG 3.34Å; T442-N452 HydrophobicContact CG2-CB 4.05Å
443	T	93	Very high	92.3	Very high	45 Å²	45	44.2 Å²	44.2	28%	0.276	23%	0.225	S	C	.	.	S	Bend	trans	-89.5	-11.7	176.3	49.5	0	0	0	0	114.6	P393 L394 S451 R453	P393-T443 HydrophobicContact CB-CG2 3.78Å; L394-T443 HydrophobicContact CD2-CG2 4.36Å; T443-S451 PolarHBondContact N-O 3.45Å; T443-S451 PolarHBondContact N-OG 2.93Å; T443-S451 WeakPolarHBondContact OG1-CB 3.45Å; T443-S451 PolarHBondContact OG1-O 3.34Å; T443-R453 HydrophobicContact CG2-CG 4.24Å
444	T	88.8	Confident	92.3	Very high	58 Å²	58	44.1 Å²	44.1	36%	0.356	23%	0.225	S	C	.	.	S	Bend	trans	-122.9	-106.4	-179.8	54.9	0	0	0	0	109.5	K397 D448 S451	K397-T444 WeakPolarHBondContact CE-O 3.38Å; K397-T444 PolarHBondContact NZ-O 3.38Å; T444-D448 VanDerWaalsContact OG1-CB 3.27Å; T444-D448 WeakPolarHBondContact OG1-CB 3.3Å; T444-D448 VanDerWaalsContact OG1-CG 3.29Å; T444-D448 PolarHBondContact OG1-OD2 3.14Å; T444-S451 WeakPolarHBondContact OG1-CB 3.38Å; T444-S451 PolarHBondContact OG1-OG 2.96Å; T444-S451 VanDerWaalsContact OG1-OG 3.04Å
445	H	79.1	Confident	92.3	Very high	146 Å²	146	44 Å²	44	68%	0.676	23%	0.225	S	C	*	.			trans	-113.2	160	-179.7	-57.1	-71.9	0	0	0	110.5	D447 D448	H445-D447 PolarHBondContact O-N 2.58Å; H445-D448 PolarHBondContact O-N 3.47Å; H445-D448 VanDerWaalsContact O-N 3.1Å
446	A	77.6	Confident	92.4	Very high	32 Å²	32	45.5 Å²	45.5	26%	0.264	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.1	-179.4	0	0	0	0	0	113.2	E439 D448	E439-A446 HydrophobicContact CB-CB 3.93Å; A446-D448 VanDerWaalsContact C-N 3.29Å
447	D	81.3	Confident	92.7	Very high	159 Å²	159	44.6 Å²	44.6	85%	0.85	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11	179.1	-55.2	-35.2	0	0	0	113	H445 I449	H445-D447 PolarHBondContact O-N 2.58Å; D447-I449 PolarHBondContact O-N 2.85Å
448	D	90.2	Very high	92.9	Very high	62 Å²	62	38.1 Å²	38.1	33%	0.332	20%	0.203	S	C	.	.			trans	-92.6	82.9	175.5	179.7	3.9	0	0	0	109.8	T444 H445 A446 M450 S451	T444-D448 VanDerWaalsContact OG1-CB 3.27Å; T444-D448 WeakPolarHBondContact OG1-CB 3.3Å; T444-D448 VanDerWaalsContact OG1-CG 3.29Å; T444-D448 PolarHBondContact OG1-OD2 3.14Å; H445-D448 PolarHBondContact O-N 3.47Å; H445-D448 VanDerWaalsContact O-N 3.1Å; A446-D448 VanDerWaalsContact C-N 3.29Å; D448-M450 PolarHBondContact O-N 2.88Å; D448-M450 VanDerWaalsContact O-N 3.14Å; D448-M450 PolarHBondContact OD1-N 3.46Å; D448-S451 WeakPolarHBondContact O-CB 3.41Å; D448-S451 PolarHBondContact O-N 3.39Å; D448-S451 PolarHBondContact O-OG 2.79Å; D448-S451 PolarHBondContact OD1-N 3.08Å; D448-S451 WeakPolarHBondContact OD2-CB 3.33Å
449	I	92.6	Very high	93.1	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.051	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.5	-27.7	-179.8	-163	170.6	0	0	0	112.8	T436 D447 S451 N452 N455	T436-I449 HydrophobicContact CG2-CD1 4.11Å; D447-I449 PolarHBondContact O-N 2.85Å; I449-S451 VanDerWaalsContact C-N 3.27Å; I449-S451 PolarHBondContact O-N 3.41Å; I449-N452 WeakPolarHBondContact O-CB 3.37Å; I449-N452 PolarHBondContact O-N 3.4Å; I449-N455 PolarHBondContact O-ND2 2.92Å
450	M	95.2	Very high	93.3	Very high	59 Å²	59	39.3 Å²	39.3	29%	0.291	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-71.1	-26.3	180	-77.4	-58.8	-65.1	0	0	112.4	D448 N452 N455 R479 L482 A483	D448-M450 PolarHBondContact O-N 2.88Å; D448-M450 VanDerWaalsContact O-N 3.14Å; D448-M450 PolarHBondContact OD1-N 3.46Å; M450-N452 PolarHBondContact O-N 3.39Å; M450-N455 WeakPolarHBondContact CA-ND2 3.49Å; M450-N455 PolarHBondContact O-ND2 3.04Å; M450-N455 VanDerWaalsContact O-ND2 3.12Å; M450-R479 HydrophobicContact CE-CB 4.34Å; M450-R479 HydrophobicContact CE-CG 4.46Å; M450-L482 HydrophobicContact SD-CB 4.12Å; M450-A483 HydrophobicContact CG-CB 3.93Å; M450-A483 WeakPolarHBondContact SD-CA 3.27Å; M450-A483 HydrophobicContact SD-CB 3.62Å; M450-A483 PolarHBondContact SD-N 2.98Å; M450-A483 VanDerWaalsContact SD-N 3.41Å
451	S	95.6	Very high	93.6	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.063	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-75.9	-7.7	175.7	81.3	0	0	0	0	114.2	T442 T443 T444 D448 I449 R453	T442-S451 WeakPolarHBondContact CA-O 3.2Å; T442-S451 WeakPolarHBondContact CB-OG 3.48Å; T442-S451 WeakPolarHBondContact CG2-OG 3.34Å; T443-S451 PolarHBondContact N-O 3.45Å; T443-S451 PolarHBondContact N-OG 2.93Å; T443-S451 WeakPolarHBondContact OG1-CB 3.45Å; T443-S451 PolarHBondContact OG1-O 3.34Å; T444-S451 WeakPolarHBondContact OG1-CB 3.38Å; T444-S451 PolarHBondContact OG1-OG 2.96Å; T444-S451 VanDerWaalsContact OG1-OG 3.04Å; D448-S451 WeakPolarHBondContact O-CB 3.41Å; D448-S451 PolarHBondContact O-N 3.39Å; D448-S451 PolarHBondContact O-OG 2.79Å; D448-S451 PolarHBondContact OD1-N 3.08Å; D448-S451 WeakPolarHBondContact OD2-CB 3.33Å; I449-S451 VanDerWaalsContact C-N 3.27Å; I449-S451 PolarHBondContact O-N 3.41Å; S451-R453 PolarHBondContact O-N 3.02Å
452	N	97.1	Very high	93.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-65	119.5	178.5	-172.3	-50.4	0	0	0	110.4	R435 I441 T442 I449 M450 G454 N455	R435-N452 PolarHBondContact O-ND2 3.27Å; I441-N452 VanDerWaalsContact CD1-OD1 3.26Å; I441-N452 WeakPolarHBondContact CD1-OD1 3.39Å; T442-N452 HydrophobicContact CG2-CB 4.05Å; I449-N452 WeakPolarHBondContact O-CB 3.37Å; I449-N452 PolarHBondContact O-N 3.4Å; M450-N452 PolarHBondContact O-N 3.39Å; N452-G454 PolarHBondContact O-N 3.38Å; N452-G454 VanDerWaalsContact O-N 3.14Å; N452-G454 WeakPolarHBondContact OD1-CA 3.42Å; N452-G454 PolarHBondContact OD1-N 3.09Å; N452-N455 WeakPolarHBondContact O-CB 3.49Å; N452-N455 PolarHBondContact O-N 3.45Å; N452-N455 PolarHBondContact O-ND2 3.44Å
453	R	98.1	Very high	94	Very high	25 Å²	25	39.3 Å²	39.3	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-13.4	-176.7	-63.9	-50.2	-59.9	162.3	-0.7	114.3	F388 D389 L394 I441 T443 S451 N455 D456 L457	F388-R453 HydrophobicContact CB-CB 3.45Å; F388-R453 VanDerWaalsContact CB-CB 3.45Å; F388-R453 HydrophobicContact CB-CG 4.25Å; D389-R453 IonicContact OD1-CZ 2.77Å; D389-R453 IonicContact OD1-NE 3.91Å; D389-R453 PolarHBondContact OD1-NE 3.4Å; D389-R453 IonicContact OD1-NH2 3.73Å; D389-R453 PolarHBondContact OD1-NH2 3.05Å; D389-R453 IonicContact OD2-CZ 3.65Å; D389-R453 IonicContact OD2-NH2 3.23Å; D389-R453 PolarHBondContact OD2-NH2 3.03Å; L394-R453 HydrophobicContact CD1-CG 4.38Å; L394-R453 HydrophobicContact CD2-CG 3.63Å; L394-R453 HydrophobicContact CG-CG 3.98Å; I441-R453 WeakPolarHBondContact O-CB 3.43Å; I441-R453 VanDerWaalsContact O-CG 3.31Å; I441-R453 WeakPolarHBondContact O-CG 3.26Å; I441-R453 PolarHBondContact O-N 3.36Å; T443-R453 HydrophobicContact CG2-CG 4.24Å; S451-R453 PolarHBondContact O-N 3.02Å; R453-N455 PolarHBondContact O-N 2.94Å; R453-D456 IonicContact CZ-OD1 3.74Å; R453-D456 IonicContact CZ-OD2 3.84Å; R453-D456 VanDerWaalsContact CZ-OD2 3.31Å; R453-D456 IonicContact NE-OD2 2.81Å; R453-D456 IonicContact NH1-OD1 3.39Å; R453-D456 PolarHBondContact NH1-OD1 3.14Å; R453-D456 IonicContact NH1-OD2 2.97Å; R453-D456 PolarHBondContact NH1-OD2 3.08Å; R453-D456 IonicContact NH2-OD1 2.68Å; R453-D456 PolarHBondContact NH2-OD1 3.46Å; R453-D456 IonicContact NH2-OD2 3.73Å; R453-D456 PolarHBondContact O-N 3.42Å; R453-L457 PolarHBondContact O-N 3.44Å
454	G	97.9	Very high	94.2	Very high	5 Å²	5	41 Å²	41	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-29	167.9	0	0	0	0	0	112.5	N452 L457 L458 M544	N452-G454 PolarHBondContact O-N 3.38Å; N452-G454 VanDerWaalsContact O-N 3.14Å; N452-G454 WeakPolarHBondContact OD1-CA 3.42Å; N452-G454 PolarHBondContact OD1-N 3.09Å; G454-L457 PolarHBondContact O-N 2.97Å; G454-L458 PolarHBondContact O-N 3.46Å; G454-M544 WeakPolarHBondContact O-CE 3.43Å
455	N	98.1	Very high	94.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-50.7	175.5	-62.2	-17.6	0	0	0	111.2	R434 I449 M450 N452 R453 L457 L458 L459 L482	R434-N455 WeakPolarHBondContact CD-OD1 3.3Å; R434-N455 PolarHBondContact NH1-OD1 2.98Å; I449-N455 PolarHBondContact O-ND2 2.92Å; M450-N455 WeakPolarHBondContact CA-ND2 3.49Å; M450-N455 PolarHBondContact O-ND2 3.04Å; M450-N455 VanDerWaalsContact O-ND2 3.12Å; N452-N455 WeakPolarHBondContact O-CB 3.49Å; N452-N455 PolarHBondContact O-N 3.45Å; N452-N455 PolarHBondContact O-ND2 3.44Å; R453-N455 PolarHBondContact O-N 2.94Å; N455-L457 VanDerWaalsContact C-N 3.27Å; N455-L457 PolarHBondContact O-N 3.34Å; N455-L458 PolarHBondContact O-N 2.96Å; N455-L459 WeakPolarHBondContact O-CB 3.42Å; N455-L459 VanDerWaalsContact O-CG 3.31Å; N455-L459 WeakPolarHBondContact O-CG 3.35Å; N455-L459 PolarHBondContact O-N 3.1Å; N455-L482 HydrophobicContact CB-CD1 4.01Å
456	D	98.4	Very high	95.5	Very high	33 Å²	33	31.6 Å²	31.6	18%	0.176	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-34.2	177.4	-64.8	-114.2	0	0	0	111.9	D389 R453 L459 R460	D389-D456 HydrophobicContact CB-CB 4.07Å; R453-D456 IonicContact CZ-OD1 3.74Å; R453-D456 IonicContact CZ-OD2 3.84Å; R453-D456 VanDerWaalsContact CZ-OD2 3.31Å; R453-D456 IonicContact NE-OD2 2.81Å; R453-D456 IonicContact NH1-OD1 3.39Å; R453-D456 PolarHBondContact NH1-OD1 3.14Å; R453-D456 IonicContact NH1-OD2 2.97Å; R453-D456 PolarHBondContact NH1-OD2 3.08Å; R453-D456 IonicContact NH2-OD1 2.68Å; R453-D456 PolarHBondContact NH2-OD1 3.46Å; R453-D456 IonicContact NH2-OD2 3.73Å; R453-D456 PolarHBondContact O-N 3.42Å; D456-L459 PolarHBondContact O-N 3.39Å; D456-R460 WeakPolarHBondContact O-CB 3.34Å; D456-R460 WeakPolarHBondContact O-CG 3.42Å; D456-R460 PolarHBondContact O-N 2.91Å
457	L	98.8	Very high	96.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-47.8	176.4	179.8	59.4	0	0	0	111	L384 D389 A420 L423 L432 R453 G454 N455 L461	L384-L457 HydrophobicContact CD1-CD2 3.99Å; D389-L457 HydrophobicContact CB-CB 3.94Å; D389-L457 HydrophobicContact CB-CD1 4.42Å; A420-L457 HydrophobicContact CB-CD1 3.93Å; L423-L457 HydrophobicContact CD2-CD1 3.74Å; L423-L457 HydrophobicContact CD2-CG 4.24Å; L432-L457 HydrophobicContact CD1-CD2 4.41Å; L432-L457 HydrophobicContact CD1-CG 4.16Å; L432-L457 HydrophobicContact CD2-CD2 3.89Å; L432-L457 HydrophobicContact CD2-CG 4.33Å; R453-L457 PolarHBondContact O-N 3.44Å; G454-L457 PolarHBondContact O-N 2.97Å; N455-L457 VanDerWaalsContact C-N 3.27Å; N455-L457 PolarHBondContact O-N 3.34Å; L457-L461 WeakPolarHBondContact O-CB 3.45Å; L457-L461 PolarHBondContact O-N 2.81Å
458	L	98.8	Very high	97.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-49.5	174.7	178.4	66.8	0	0	0	111.4	L432 G454 N455 R460 L461 L462 V478 W481 L482 A540 M544	L432-L458 HydrophobicContact CD1-CB 3.79Å; L432-L458 HydrophobicContact CD1-CD1 4.04Å; G454-L458 PolarHBondContact O-N 3.46Å; N455-L458 PolarHBondContact O-N 2.96Å; L458-R460 PolarHBondContact O-N 3.24Å; L458-L461 PolarHBondContact O-N 3.08Å; L458-L462 HydrophobicContact CD1-CD1 3.86Å; L458-L462 HydrophobicContact CD1-CD2 4.48Å; L458-L462 HydrophobicContact CD1-CG 3.93Å; L458-L462 HydrophobicContact CD2-CD1 4.45Å; L458-L462 HydrophobicContact CG-CD1 3.93Å; L458-L462 HydrophobicContact CG-CG 4.27Å; L458-L462 WeakPolarHBondContact O-CG 3.48Å; L458-L462 PolarHBondContact O-N 3.46Å; L458-V478 HydrophobicContact CD2-CG1 4.48Å; L458-W481 HydrophobicContact CD2-CZ3 4.31Å; L458-L482 HydrophobicContact CD2-CD2 4.04Å; L458-A540 HydrophobicContact CD2-CB 4.14Å; L458-M544 HydrophobicContact CB-CE 3.56Å; L458-M544 HydrophobicContact CD1-CB 4.14Å; L458-M544 HydrophobicContact CD2-CB 3.88Å; L458-M544 HydrophobicContact CD2-CE 3.89Å; L458-M544 HydrophobicContact CD2-SD 3.88Å; L458-M544 HydrophobicContact CG-CE 4.24Å
459	L	98.7	Very high	97.5	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-59.7	-46.4	-177.6	-73	172.3	0	0	0	111.1	N455 D456 L461 L462 Q463 M470 V475 V478 R479 L482	N455-L459 WeakPolarHBondContact O-CB 3.42Å; N455-L459 VanDerWaalsContact O-CG 3.31Å; N455-L459 WeakPolarHBondContact O-CG 3.35Å; N455-L459 PolarHBondContact O-N 3.1Å; D456-L459 PolarHBondContact O-N 3.39Å; L459-L461 VanDerWaalsContact C-N 3.34Å; L459-L461 PolarHBondContact O-N 2.64Å; L459-L462 PolarHBondContact O-N 3.49Å; L459-Q463 WeakPolarHBondContact O-CB 3.19Å; L459-Q463 WeakPolarHBondContact O-CG 3.36Å; L459-Q463 PolarHBondContact O-N 2.8Å; L459-Q463 PolarHBondContact O-OE1 3.34Å; L459-M470 HydrophobicContact CD2-CE 3.93Å; L459-V475 HydrophobicContact CD2-CG1 4.34Å; L459-V478 HydrophobicContact CD2-CB 4.13Å; L459-V478 HydrophobicContact CD2-CG1 3.66Å; L459-R479 HydrophobicContact CD1-CG 3.99Å; L459-R479 VanDerWaalsContact CD1-CZ 3.4Å; L459-L482 HydrophobicContact CD1-CD1 4.27Å; L459-L482 HydrophobicContact CD2-CD1 4.37Å; L459-L482 HydrophobicContact CG-CD1 4.14Å
460	R	98.4	Very high	97.8	Very high	94 Å²	94	25.8 Å²	25.8	36%	0.355	12%	0.122	S	C	.	.	H	α-helix	trans	-61.7	-41.3	176.2	-78.8	-167.1	-179.9	135.4	12	112.5	D389 A420 D456 L458 F464	D389-R460 IonicContact OD2-CZ 3.71Å; D389-R460 IonicContact OD2-NH1 3.82Å; D389-R460 PolarHBondContact OD2-NH1 3.44Å; D389-R460 IonicContact OD2-NH2 2.9Å; A420-R460 HydrophobicContact CB-CB 4.11Å; A420-R460 HydrophobicContact CB-CG 4.44Å; D456-R460 WeakPolarHBondContact O-CB 3.34Å; D456-R460 WeakPolarHBondContact O-CG 3.42Å; D456-R460 PolarHBondContact O-N 2.91Å; L458-R460 PolarHBondContact O-N 3.24Å; R460-F464 WeakPolarHBondContact O-CB 3.36Å; R460-F464 PolarHBondContact O-N 3.46Å
461	L	98.7	Very high	97.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-49.8	177.4	-177.7	62.5	0	0	0	111.4	L423 V430 L457 L458 L459 F464 R465 Y543	L423-L461 HydrophobicContact CD2-CD1 4.46Å; L423-L461 HydrophobicContact CD2-CD2 4.24Å; L423-L461 HydrophobicContact CG-CD1 4.25Å; V430-L461 HydrophobicContact CB-CD2 4.02Å; V430-L461 HydrophobicContact CG1-CD2 3.8Å; V430-L461 HydrophobicContact CG2-CD2 4.27Å; L457-L461 WeakPolarHBondContact O-CB 3.45Å; L457-L461 PolarHBondContact O-N 2.81Å; L458-L461 PolarHBondContact O-N 3.08Å; L459-L461 VanDerWaalsContact C-N 3.34Å; L459-L461 PolarHBondContact O-N 2.64Å; L461-F464 PolarHBondContact O-N 2.8Å; L461-R465 HydrophobicContact CD1-CG 4.18Å; L461-R465 WeakPolarHBondContact O-CB 3.25Å; L461-R465 WeakPolarHBondContact O-CG 3.41Å; L461-R465 PolarHBondContact O-N 3.11Å; L461-Y543 HydrophobicContact CD2-CD1 3.68Å; L461-Y543 HydrophobicContact CD2-CE1 3.96Å
462	L	98.6	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-39.9	-179.3	-65.1	-177.6	0	0	0	112	L458 L459 F464 R465 Y466 M470 L539 A540 Y543	L458-L462 HydrophobicContact CD1-CD1 3.86Å; L458-L462 HydrophobicContact CD1-CD2 4.48Å; L458-L462 HydrophobicContact CD1-CG 3.93Å; L458-L462 HydrophobicContact CD2-CD1 4.45Å; L458-L462 HydrophobicContact CG-CD1 3.93Å; L458-L462 HydrophobicContact CG-CG 4.27Å; L458-L462 WeakPolarHBondContact O-CG 3.48Å; L458-L462 PolarHBondContact O-N 3.46Å; L459-L462 PolarHBondContact O-N 3.49Å; L462-F464 VanDerWaalsContact C-N 3.26Å; L462-F464 PolarHBondContact O-N 2.96Å; L462-R465 PolarHBondContact O-N 3.29Å; L462-Y466 HydrophobicContact CD2-CD2 4.03Å; L462-Y466 HydrophobicContact CD2-CE2 4.07Å; L462-Y466 WeakPolarHBondContact O-CA 3.2Å; L462-Y466 PolarHBondContact O-N 2.9Å; L462-M470 HydrophobicContact CB-CE 3.95Å; L462-M470 HydrophobicContact CB-CG 3.76Å; L462-M470 HydrophobicContact CB-SD 3.94Å; L462-M470 HydrophobicContact CD1-CE 4.33Å; L462-M470 HydrophobicContact CD1-SD 4.27Å; L462-M470 WeakPolarHBondContact O-CG 3.29Å; L462-L539 HydrophobicContact CD2-CB 4.08Å; L462-A540 HydrophobicContact CD1-CB 4.19Å; L462-Y543 HydrophobicContact CD2-CD2 3.84Å; L462-Y543 HydrophobicContact CD2-CE2 4.15Å; L462-Y543 HydrophobicContact CD2-CG 4.12Å
463	Q	98.4	Very high	97.7	Very high	82 Å²	82	34.1 Å²	34.1	38%	0.383	17%	0.167	S	C	.	.	H	α-helix	trans	-60.8	-37.6	175.8	-76.4	175	-49.3	0	0	111.9	L459 P467 M470 V475	L459-Q463 WeakPolarHBondContact O-CB 3.19Å; L459-Q463 WeakPolarHBondContact O-CG 3.36Å; L459-Q463 PolarHBondContact O-N 2.8Å; L459-Q463 PolarHBondContact O-OE1 3.34Å; Q463-P467 WeakPolarHBondContact O-CA 3.3Å; Q463-M470 HydrophobicContact CB-CB 4.43Å; Q463-M470 HydrophobicContact CG-CB 3.93Å; Q463-M470 HydrophobicContact CG-CE 4.42Å; Q463-V475 HydrophobicContact CG-CG2 4.09Å
464	F	97.8	Very high	97.7	Very high	80 Å²	80	33 Å²	33	35%	0.351	16%	0.164	S	C	.	.	H	α-helix	trans	-73	-48.7	174	-177	-91.7	0	0	0	111.9	V424 R460 L461 L462 P467 F519 P520	V424-F464 HydrophobicContact CB-CB 3.95Å; V424-F464 HydrophobicContact CB-CD1 3.77Å; V424-F464 HydrophobicContact CB-CD2 4.06Å; V424-F464 HydrophobicContact CB-CE1 4.29Å; V424-F464 HydrophobicContact CB-CG 3.64Å; V424-F464 HydrophobicContact CG1-CB 3.63Å; V424-F464 HydrophobicContact CG1-CD1 4.37Å; V424-F464 HydrophobicContact CG1-CG 3.94Å; V424-F464 HydrophobicContact CG2-CD2 4.36Å; V424-F464 HydrophobicContact CG2-CG 4.42Å; V424-F464 VanDerWaalsContact O-CD1 3.29Å; V424-F464 WeakPolarHBondContact O-CD1 3.1Å; V424-F464 WeakPolarHBondContact O-CE1 3.29Å; R460-F464 WeakPolarHBondContact O-CB 3.36Å; R460-F464 PolarHBondContact O-N 3.46Å; L461-F464 PolarHBondContact O-N 2.8Å; L462-F464 VanDerWaalsContact C-N 3.26Å; L462-F464 PolarHBondContact O-N 2.96Å; F464-P467 WeakPolarHBondContact O-CD 3.47Å; F464-F519 HydrophobicContact CE1-CB 4.39Å; F464-P520 WeakPolarHBondContact O-CB 3.44Å
465	R	97.3	Very high	97.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-70.1	-35	-174.9	-73	-169.9	174	-160.5	-1.5	113.2	Y426 G428 L461 L462 F519 W521 Y543	Y426-R465 PolarHBondContact O-NH2 3.35Å; G428-R465 PolarHBondContact O-NH1 2.98Å; G428-R465 VanDerWaalsContact O-NH1 3.09Å; G428-R465 PolarHBondContact O-NH2 3.07Å; L461-R465 HydrophobicContact CD1-CG 4.18Å; L461-R465 WeakPolarHBondContact O-CB 3.25Å; L461-R465 WeakPolarHBondContact O-CG 3.41Å; L461-R465 PolarHBondContact O-N 3.11Å; L462-R465 PolarHBondContact O-N 3.29Å; R465-F519 HydrophobicContact CB-CB 4.44Å; R465-F519 HydrophobicContact CB-CD1 3.5Å; R465-F519 HydrophobicContact CB-CE1 3.8Å; R465-F519 HydrophobicContact CB-CG 3.92Å; R465-F519 HydrophobicContact CB-CZ 4.45Å; R465-F519 HydrophobicContact CG-CB 4.05Å; R465-F519 HydrophobicContact CG-CD1 3.69Å; R465-F519 HydrophobicContact CG-CD2 3.84Å; R465-F519 HydrophobicContact CG-CE1 4.06Å; R465-F519 HydrophobicContact CG-CE2 4.2Å; R465-F519 HydrophobicContact CG-CG 3.57Å; R465-F519 HydrophobicContact CG-CZ 4.3Å; R465-F519 WeakPolarHBondContact O-CD1 3.34Å; R465-W521 PolarHBondContact O-N 3.34Å; R465-Y543 WeakPolarHBondContact CD-OH 3.3Å; R465-Y543 VanDerWaalsContact NH1-CE1 3.31Å; R465-Y543 PolarHBondContact NH1-OH 2.86Å
466	Y	97.3	Very high	97.7	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.016	19%	0.187	C	C	.	.			trans	-135.2	58.5	-171.5	-50.9	-79.1	0	0	0	112	L462 K468 I469 M470 L508 F519 W521 V523 L539 Y543	L462-Y466 HydrophobicContact CD2-CD2 4.03Å; L462-Y466 HydrophobicContact CD2-CE2 4.07Å; L462-Y466 WeakPolarHBondContact O-CA 3.2Å; L462-Y466 PolarHBondContact O-N 2.9Å; Y466-K468 PolarHBondContact O-N 3.04Å; Y466-K468 VanDerWaalsContact O-N 3.1Å; Y466-I469 HydrophobicContact CD1-CD1 4.23Å; Y466-I469 HydrophobicContact CG-CD1 4.4Å; Y466-I469 PolarHBondContact O-N 3.1Å; Y466-M470 WeakPolarHBondContact O-CB 3.16Å; Y466-M470 PolarHBondContact O-N 3.43Å; Y466-L508 HydrophobicContact CE1-CD2 4.46Å; Y466-F519 AromaticContact CE1-CE1 3.7Å; Y466-F519 HydrophobicContact CE1-CE1 3.7Å; Y466-F519 HydrophobicContact CE2-CE1 4.25Å; Y466-F519 AromaticContact CZ-CE1 3.55Å; Y466-F519 WeakPolarHBondContact OH-CE1 3.26Å; Y466-W521 HydrophobicContact CD1-CB 4.25Å; Y466-W521 HydrophobicContact CD1-CE3 4.39Å; Y466-W521 HydrophobicContact CE1-CD2 4.14Å; Y466-W521 AromaticContact CE1-CE3 3.78Å; Y466-W521 HydrophobicContact CE1-CE3 3.78Å; Y466-W521 HydrophobicContact CE1-CZ3 4.38Å; Y466-V523 HydrophobicContact CD1-CG1 3.91Å; Y466-L539 HydrophobicContact CD1-CD1 4.04Å; Y466-L539 HydrophobicContact CD2-CD1 3.65Å; Y466-L539 HydrophobicContact CD2-CD2 4.44Å; Y466-L539 HydrophobicContact CE1-CD1 4.24Å; Y466-L539 HydrophobicContact CE1-CD2 4.27Å; Y466-L539 HydrophobicContact CE2-CD1 3.88Å; Y466-L539 HydrophobicContact CE2-CD2 3.81Å; Y466-L539 HydrophobicContact CE2-CG 4.38Å; Y466-L539 HydrophobicContact CG-CD1 3.73Å; Y466-Y543 AromaticContact CE2-CE2 3.96Å; Y466-Y543 HydrophobicContact CE2-CE2 3.96Å; Y466-Y543 PolarHBondContact OH-OH 3.42Å
467	P	97.2	Very high	97.7	Very high	54 Å²	54	37.5 Å²	37.5	35%	0.351	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.3	-171.5	22.9	-35.8	0	0	0	114	Q463 F464 P520 W521	Q463-P467 WeakPolarHBondContact O-CA 3.3Å; F464-P467 WeakPolarHBondContact O-CD 3.47Å; P467-P520 HydrophobicContact CG-CB 4.1Å; P467-W521 WeakPolarHBondContact CD-O 3.44Å
468	K	97.1	Very high	97.6	Very high	79 Å²	79	37.4 Å²	37.4	34%	0.343	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-21.2	-179.4	-56	-69.5	179.5	154.5	0	113.1	Y466 V523 E525 R532	Y466-K468 PolarHBondContact O-N 3.04Å; Y466-K468 VanDerWaalsContact O-N 3.1Å; K468-V523 WeakPolarHBondContact CB-O 3.27Å; K468-E525 HydrophobicContact CD-CB 4.38Å; K468-E525 WeakPolarHBondContact CE-OE1 3.35Å; K468-E525 HydrophobicContact CG-CB 4.27Å; K468-E525 IonicContact NZ-OE1 3.69Å; K468-E525 PolarHBondContact NZ-OE1 3.16Å; K468-R532 WeakPolarHBondContact O-CD 3.48Å
469	I	97.9	Very high	97.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-46.1	168.6	-69.9	165.7	0	0	0	109.9	Y466 T471 V523 L535 A536 L539	Y466-I469 HydrophobicContact CD1-CD1 4.23Å; Y466-I469 HydrophobicContact CG-CD1 4.4Å; Y466-I469 PolarHBondContact O-N 3.1Å; I469-T471 PolarHBondContact O-N 3.37Å; I469-V523 HydrophobicContact CD1-CB 4.47Å; I469-V523 HydrophobicContact CD1-CG1 3.56Å; I469-V523 HydrophobicContact CD1-CG2 4.3Å; I469-V523 HydrophobicContact CG1-CG1 4.36Å; I469-V523 WeakPolarHBondContact CG1-O 3.49Å; I469-L535 HydrophobicContact CD1-CB 3.92Å; I469-L535 HydrophobicContact CD1-CD1 3.85Å; I469-L535 HydrophobicContact CD1-CG 4.41Å; I469-L535 HydrophobicContact CG1-CB 4.24Å; I469-L535 HydrophobicContact CG1-CD1 4.16Å; I469-L535 HydrophobicContact CG2-CB 4.03Å; I469-A536 HydrophobicContact CG2-CB 3.75Å; I469-L539 HydrophobicContact CD1-CD1 3.85Å; I469-L539 HydrophobicContact CG2-CD1 4.37Å
470	M	97.9	Very high	97.5	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.044	22%	0.215	C	C	.	.	S	Bend	trans	-85.3	47.5	-175.5	-64.2	-61	-63.6	0	0	112.9	L459 L462 Q463 Y466 V475 V478 A536	L459-M470 HydrophobicContact CD2-CE 3.93Å; L462-M470 HydrophobicContact CB-CE 3.95Å; L462-M470 HydrophobicContact CB-CG 3.76Å; L462-M470 HydrophobicContact CB-SD 3.94Å; L462-M470 HydrophobicContact CD1-CE 4.33Å; L462-M470 HydrophobicContact CD1-SD 4.27Å; L462-M470 WeakPolarHBondContact O-CG 3.29Å; Q463-M470 HydrophobicContact CB-CB 4.43Å; Q463-M470 HydrophobicContact CG-CB 3.93Å; Q463-M470 HydrophobicContact CG-CE 4.42Å; Y466-M470 WeakPolarHBondContact O-CB 3.16Å; Y466-M470 PolarHBondContact O-N 3.43Å; M470-V475 HydrophobicContact CE-CG2 4.01Å; M470-V478 HydrophobicContact CE-CB 4.38Å; M470-V478 HydrophobicContact CE-CG2 4.1Å; M470-V478 HydrophobicContact SD-CG2 4.22Å; M470-A536 HydrophobicContact SD-CB 3.95Å
471	T	96.1	Very high	97.5	Very high	45 Å²	45	42 Å²	42	28%	0.276	20%	0.199	S	C	.	.	S	Bend	trans	-69.5	178.9	166.1	61.9	0	0	0	0	110.6	I469 E473 G474 V475	I469-T471 PolarHBondContact O-N 3.37Å; T471-E473 PolarHBondContact O-N 3.39Å; T471-E473 VanDerWaalsContact O-N 3.1Å; T471-G474 WeakPolarHBondContact O-CA 3.38Å; T471-G474 PolarHBondContact O-N 2.97Å; T471-V475 WeakPolarHBondContact O-CG2 3.44Å; T471-V475 PolarHBondContact O-N 3.06Å
472	D	96.1	Very high	97.4	Very high	146 Å²	146	41.9 Å²	41.9	78%	0.781	20%	0.198	S	C	*	.	H	α-helix	trans	-50.1	-40.4	-179.9	-63.6	-25.9	0	0	0	112.8	R476	D472-R476 WeakPolarHBondContact O-CB 3.27Å; D472-R476 PolarHBondContact O-N 2.95Å
473	E	95.2	Very high	97.2	Very high	53 Å²	53	44 Å²	44	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-71.5	-40.6	177.2	-75.7	-66.9	112.5	0	0	113	T471 V475 R476 V477 L529 R533	T471-E473 PolarHBondContact O-N 3.39Å; T471-E473 VanDerWaalsContact O-N 3.1Å; E473-V475 VanDerWaalsContact C-N 3.35Å; E473-R476 WeakPolarHBondContact O-CB 3.32Å; E473-R476 PolarHBondContact O-N 3.1Å; E473-R476 IonicContact OE1-CZ 2.74Å; E473-R476 IonicContact OE1-NE 2.76Å; E473-R476 PolarHBondContact OE1-NE 2.9Å; E473-R476 IonicContact OE1-NH2 3.49Å; E473-R476 IonicContact OE2-CZ 2.81Å; E473-R476 IonicContact OE2-NE 3.72Å; E473-R476 PolarHBondContact OE2-NE 2.97Å; E473-R476 IonicContact OE2-NH2 3.4Å; E473-R476 PolarHBondContact OE2-NH2 3.07Å; E473-V477 WeakPolarHBondContact O-CG1 3.18Å; E473-V477 PolarHBondContact O-N 3.27Å; E473-L529 HydrophobicContact CB-CD1 3.63Å; E473-L529 HydrophobicContact CG-CD1 3.8Å; E473-R533 IonicContact OE2-CZ 2.72Å; E473-R533 IonicContact OE2-NE 3.56Å; E473-R533 IonicContact OE2-NH2 3.46Å; E473-R533 PolarHBondContact OE2-NH2 3.42Å
474	G	97.3	Very high	96.9	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-44.1	174.1	0	0	0	0	0	111.7	T471 R476 V477 V478	T471-G474 WeakPolarHBondContact O-CA 3.38Å; T471-G474 PolarHBondContact O-N 2.97Å; G474-R476 VanDerWaalsContact C-N 3.34Å; G474-R476 PolarHBondContact O-N 3.19Å; G474-V477 VanDerWaalsContact O-CG2 3.25Å; G474-V477 WeakPolarHBondContact O-CG2 3.46Å; G474-V477 PolarHBondContact O-N 2.98Å; G474-V478 VanDerWaalsContact O-CG2 3.31Å; G474-V478 WeakPolarHBondContact O-CG2 3.49Å; G474-V478 PolarHBondContact O-N 3.31Å
475	V	98.1	Very high	96.2	Very high	18 Å²	18	39.8 Å²	39.8	11%	0.109	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-41.9	174.2	174.7	0	0	0	0	110.9	L459 Q463 M470 T471 E473 V478 R479	L459-V475 HydrophobicContact CD2-CG1 4.34Å; Q463-V475 HydrophobicContact CG-CG2 4.09Å; M470-V475 HydrophobicContact CE-CG2 4.01Å; T471-V475 WeakPolarHBondContact O-CG2 3.44Å; T471-V475 PolarHBondContact O-N 3.06Å; E473-V475 VanDerWaalsContact C-N 3.35Å; V475-V478 PolarHBondContact O-N 3.2Å; V475-R479 HydrophobicContact CG1-CG 4.37Å; V475-R479 WeakPolarHBondContact O-CB 3.49Å; V475-R479 VanDerWaalsContact O-CG 3.31Å; V475-R479 WeakPolarHBondContact O-CG 3.46Å; V475-R479 PolarHBondContact O-N 3.5Å
476	R	97.8	Very high	95.7	Very high	114 Å²	114	41.4 Å²	41.4	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-60.9	-47.7	179	-172.6	176.8	70.3	80.3	4.9	112	D472 E473 G474 R479 Q480	D472-R476 WeakPolarHBondContact O-CB 3.27Å; D472-R476 PolarHBondContact O-N 2.95Å; E473-R476 WeakPolarHBondContact O-CB 3.32Å; E473-R476 PolarHBondContact O-N 3.1Å; E473-R476 IonicContact OE1-CZ 2.74Å; E473-R476 IonicContact OE1-NE 2.76Å; E473-R476 PolarHBondContact OE1-NE 2.9Å; E473-R476 IonicContact OE1-NH2 3.49Å; E473-R476 IonicContact OE2-CZ 2.81Å; E473-R476 IonicContact OE2-NE 3.72Å; E473-R476 PolarHBondContact OE2-NE 2.97Å; E473-R476 IonicContact OE2-NH2 3.4Å; E473-R476 PolarHBondContact OE2-NH2 3.07Å; G474-R476 VanDerWaalsContact C-N 3.34Å; G474-R476 PolarHBondContact O-N 3.19Å; R476-R479 PolarHBondContact O-N 3.28Å; R476-Q480 PolarHBondContact O-N 2.9Å
477	V	97.7	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.7	-38.2	-180	-57.4	0	0	0	0	112.1	E473 G474 R479 Q480 W481 Y497 R533 A536 L537	E473-V477 WeakPolarHBondContact O-CG1 3.18Å; E473-V477 PolarHBondContact O-N 3.27Å; G474-V477 VanDerWaalsContact O-CG2 3.25Å; G474-V477 WeakPolarHBondContact O-CG2 3.46Å; G474-V477 PolarHBondContact O-N 2.98Å; V477-R479 VanDerWaalsContact C-N 3.35Å; V477-R479 PolarHBondContact O-N 2.95Å; V477-Q480 WeakPolarHBondContact O-CB 3.45Å; V477-Q480 PolarHBondContact O-N 3.48Å; V477-W481 PolarHBondContact O-N 3.39Å; V477-Y497 HydrophobicContact CB-CE2 4.29Å; V477-Y497 HydrophobicContact CG1-CD1 4.4Å; V477-Y497 HydrophobicContact CG1-CE1 3.62Å; V477-Y497 HydrophobicContact CG1-CE2 4.14Å; V477-Y497 VanDerWaalsContact CG1-CZ 3.47Å; V477-Y497 WeakPolarHBondContact CG1-OH 3.3Å; V477-R533 HydrophobicContact CG1-CB 4.32Å; V477-R533 HydrophobicContact CG1-CG 3.83Å; V477-R533 HydrophobicContact CG2-CB 4.25Å; V477-R533 HydrophobicContact CG2-CG 4.29Å; V477-A536 HydrophobicContact CG2-CB 4.14Å; V477-L537 HydrophobicContact CB-CD2 4.35Å; V477-L537 HydrophobicContact CB-CG 4.38Å; V477-L537 HydrophobicContact CG2-CD2 4.31Å; V477-L537 HydrophobicContact CG2-CG 4.07Å
478	V	98.3	Very high	95.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-39.3	174.6	174.2	0	0	0	0	110.9	L458 L459 M470 G474 V475 Q480 W481 L482 A536 A540	L458-V478 HydrophobicContact CD2-CG1 4.48Å; L459-V478 HydrophobicContact CD2-CB 4.13Å; L459-V478 HydrophobicContact CD2-CG1 3.66Å; M470-V478 HydrophobicContact CE-CB 4.38Å; M470-V478 HydrophobicContact CE-CG2 4.1Å; M470-V478 HydrophobicContact SD-CG2 4.22Å; G474-V478 VanDerWaalsContact O-CG2 3.31Å; G474-V478 WeakPolarHBondContact O-CG2 3.49Å; G474-V478 PolarHBondContact O-N 3.31Å; V475-V478 PolarHBondContact O-N 3.2Å; V478-Q480 VanDerWaalsContact C-N 3.32Å; V478-Q480 PolarHBondContact O-N 3.25Å; V478-W481 PolarHBondContact O-N 3.4Å; V478-L482 HydrophobicContact CG1-CD1 3.9Å; V478-L482 HydrophobicContact CG1-CG 4.24Å; V478-L482 WeakPolarHBondContact O-CB 3.37Å; V478-L482 VanDerWaalsContact O-CG 3.27Å; V478-L482 WeakPolarHBondContact O-CG 3.47Å; V478-L482 PolarHBondContact O-N 3.39Å; V478-A536 HydrophobicContact CG2-CB 3.85Å; V478-A536 WeakPolarHBondContact CG2-O 3.29Å; V478-A540 HydrophobicContact CG1-CB 3.91Å; V478-A540 HydrophobicContact CG2-CB 4.09Å
479	R	98	Very high	95	Very high	99 Å²	99	50.8 Å²	50.8	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-36.8	173.1	-77.2	-176.5	-177.5	-74.7	0.5	112.6	M450 L459 V475 R476 V477 W481 L482 A483	M450-R479 HydrophobicContact CE-CB 4.34Å; M450-R479 HydrophobicContact CE-CG 4.46Å; L459-R479 HydrophobicContact CD1-CG 3.99Å; L459-R479 VanDerWaalsContact CD1-CZ 3.4Å; V475-R479 HydrophobicContact CG1-CG 4.37Å; V475-R479 WeakPolarHBondContact O-CB 3.49Å; V475-R479 VanDerWaalsContact O-CG 3.31Å; V475-R479 WeakPolarHBondContact O-CG 3.46Å; V475-R479 PolarHBondContact O-N 3.5Å; R476-R479 PolarHBondContact O-N 3.28Å; V477-R479 VanDerWaalsContact C-N 3.35Å; V477-R479 PolarHBondContact O-N 2.95Å; R479-W481 VanDerWaalsContact C-N 3.35Å; R479-L482 PolarHBondContact O-N 3.26Å; R479-A483 WeakPolarHBondContact O-CB 3.46Å; R479-A483 PolarHBondContact O-N 3.4Å
480	Q	96.9	Very high	94.7	Very high	88 Å²	88	52.3 Å²	52.3	41%	0.411	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-42.6	173.8	-175.4	-178.2	-4	0	0	111.2	R476 V477 V478 A483 V493 Y497	R476-Q480 PolarHBondContact O-N 2.9Å; V477-Q480 WeakPolarHBondContact O-CB 3.45Å; V477-Q480 PolarHBondContact O-N 3.48Å; V478-Q480 VanDerWaalsContact C-N 3.32Å; V478-Q480 PolarHBondContact O-N 3.25Å; Q480-A483 PolarHBondContact O-N 3.48Å; Q480-V493 HydrophobicContact CG-CG1 4.25Å; Q480-V493 HydrophobicContact CG-CG2 4.21Å; Q480-Y497 PolarHBondContact OE1-OH 3.49Å
481	W	97.4	Very high	94.5	Very high	5 Å²	5	54.2 Å²	54.2	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-41.6	174.2	177.7	78.4	0	0	0	112.3	L458 V477 V478 R479 A483 A484 V493 L537 A540 M544	L458-W481 HydrophobicContact CD2-CZ3 4.31Å; V477-W481 PolarHBondContact O-N 3.39Å; V478-W481 PolarHBondContact O-N 3.4Å; R479-W481 VanDerWaalsContact C-N 3.35Å; W481-A483 PolarHBondContact O-N 2.96Å; W481-A484 WeakPolarHBondContact O-CB 3.36Å; W481-A484 PolarHBondContact O-N 2.63Å; W481-A484 VanDerWaalsContact O-N 3.08Å; W481-V493 HydrophobicContact CB-CG1 4.06Å; W481-L537 HydrophobicContact CB-CD2 3.66Å; W481-L537 HydrophobicContact CG-CD2 4.27Å; W481-A540 HydrophobicContact CE3-CB 4.02Å; W481-A540 HydrophobicContact CZ3-CB 4.09Å; W481-M544 HydrophobicContact CH2-CB 4.4Å; W481-M544 HydrophobicContact CH2-CG 4.45Å; W481-M544 HydrophobicContact CZ3-SD 4.23Å
482	L	97.1	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-25	177	-70.6	169	0	0	0	113.2	R434 M450 N455 L458 L459 V478 R479 A484 M544	R434-L482 PolarHBondContact NH1-O 3.13Å; R434-L482 PolarHBondContact NH2-O 3.05Å; M450-L482 HydrophobicContact SD-CB 4.12Å; N455-L482 HydrophobicContact CB-CD1 4.01Å; L458-L482 HydrophobicContact CD2-CD2 4.04Å; L459-L482 HydrophobicContact CD1-CD1 4.27Å; L459-L482 HydrophobicContact CD2-CD1 4.37Å; L459-L482 HydrophobicContact CG-CD1 4.14Å; V478-L482 HydrophobicContact CG1-CD1 3.9Å; V478-L482 HydrophobicContact CG1-CG 4.24Å; V478-L482 WeakPolarHBondContact O-CB 3.37Å; V478-L482 VanDerWaalsContact O-CG 3.27Å; V478-L482 WeakPolarHBondContact O-CG 3.47Å; V478-L482 PolarHBondContact O-N 3.39Å; R479-L482 PolarHBondContact O-N 3.26Å; L482-A484 VanDerWaalsContact C-N 3.28Å; L482-M544 HydrophobicContact CD2-CE 4.47Å; L482-M544 HydrophobicContact CD2-SD 3.63Å
483	A	95.4	Very high	94.5	Very high	43 Å²	43	49.9 Å²	49.9	36%	0.355	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.7	175.7	0	0	0	0	0	113.1	M450 R479 Q480 W481 S485	M450-A483 HydrophobicContact CG-CB 3.93Å; M450-A483 WeakPolarHBondContact SD-CA 3.27Å; M450-A483 HydrophobicContact SD-CB 3.62Å; M450-A483 PolarHBondContact SD-N 2.98Å; M450-A483 VanDerWaalsContact SD-N 3.41Å; R479-A483 WeakPolarHBondContact O-CB 3.46Å; R479-A483 PolarHBondContact O-N 3.4Å; Q480-A483 PolarHBondContact O-N 3.48Å; W481-A483 PolarHBondContact O-N 2.96Å; A483-S485 PolarHBondContact O-N 3.21Å; A483-S485 PolarHBondContact O-OG 2.97Å
484	A	91.8	Very high	94.5	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	27%	0.267	C	S	.	.			trans	-64.8	126.4	175.5	0	0	0	0	0	110	W481 L482 E489 E490	W481-A484 WeakPolarHBondContact O-CB 3.36Å; W481-A484 PolarHBondContact O-N 2.63Å; W481-A484 VanDerWaalsContact O-N 3.08Å; L482-A484 VanDerWaalsContact C-N 3.28Å; A484-E489 WeakPolarHBondContact CA-OE2 3.29Å; A484-E489 HydrophobicContact CB-CB 3.65Å; A484-E490 HydrophobicContact CB-CB 4.3Å; A484-E490 HydrophobicContact CB-CG 3.57Å
485	S	81.5	Confident	94.4	Very high	71 Å²	71	52.2 Å²	52.2	50%	0.497	30%	0.295	S	S	.	.			trans	-98	-8.3	-174.9	-58.7	0	0	0	0	112.5	A483 E489	A483-S485 PolarHBondContact O-N 3.21Å; A483-S485 PolarHBondContact O-OG 2.97Å; S485-E489 PolarHBondContact N-OE2 3.41Å
486	S	87.8	Confident	94.3	Very high	36 Å²	36	54.2 Å²	54.2	25%	0.252	32%	0.319	S	S	.	.	S	Bend	trans	-136.2	155.2	178.8	72.3	0	0	0	0	112.4	I488 E489 E490	S486-I488 PolarHBondContact O-N 3.06Å; S486-I488 VanDerWaalsContact O-N 3.13Å; S486-E489 PolarHBondContact O-N 2.86Å; S486-E489 VanDerWaalsContact O-N 3.12Å; S486-E489 WeakPolarHBondContact OG-CG 3.41Å; S486-E489 PolarHBondContact OG-N 2.75Å; S486-E490 WeakPolarHBondContact O-CG 3.07Å; S486-E490 PolarHBondContact O-N 2.98Å
487	P	90.5	Very high	94.2	Very high	99 Å²	99	50.4 Å²	50.4	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-56.7	-28.8	174.7	-26.8	35.2	0	0	0	114	A491	P487-A491 VanDerWaalsContact O-CB 3.31Å; P487-A491 WeakPolarHBondContact O-CB 3.45Å; P487-A491 PolarHBondContact O-N 2.88Å
488	I	92.8	Very high	94.1	Very high	139 Å²	139	57.9 Å²	57.9	71%	0.713	34%	0.34	S	S	*	.	H	α-helix	trans	-70.7	-45.7	178.7	-62.5	170.2	0	0	0	110.3	S486 E490 A491 S492	S486-I488 PolarHBondContact O-N 3.06Å; S486-I488 VanDerWaalsContact O-N 3.13Å; I488-E490 VanDerWaalsContact C-N 3.35Å; I488-A491 PolarHBondContact O-N 3.24Å; I488-S492 WeakPolarHBondContact O-CB 3.33Å; I488-S492 PolarHBondContact O-N 3.4Å
489	E	92.7	Very high	94.1	Very high	95 Å²	95	58.8 Å²	58.8	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-41.6	175.9	-73.3	173.3	-173.1	0	0	111.3	A484 S485 S486 A491 S492 V493	A484-E489 WeakPolarHBondContact CA-OE2 3.29Å; A484-E489 HydrophobicContact CB-CB 3.65Å; S485-E489 PolarHBondContact N-OE2 3.41Å; S486-E489 PolarHBondContact O-N 2.86Å; S486-E489 VanDerWaalsContact O-N 3.12Å; S486-E489 WeakPolarHBondContact OG-CG 3.41Å; S486-E489 PolarHBondContact OG-N 2.75Å; E489-A491 PolarHBondContact O-N 2.94Å; E489-S492 WeakPolarHBondContact O-CB 3.43Å; E489-S492 PolarHBondContact O-N 3.24Å; E489-V493 WeakPolarHBondContact O-CG2 3.29Å; E489-V493 PolarHBondContact O-N 2.87Å
490	E	92.6	Very high	94	Very high	32 Å²	32	57.8 Å²	57.8	15%	0.15	35%	0.348	C	S	.	.	H	α-helix	trans	-57.8	-48.7	174.7	-72.6	175	-136.5	0	0	111.4	A484 S486 I488 S492 V493 Y494 N546	A484-E490 HydrophobicContact CB-CB 4.3Å; A484-E490 HydrophobicContact CB-CG 3.57Å; S486-E490 WeakPolarHBondContact O-CG 3.07Å; S486-E490 PolarHBondContact O-N 2.98Å; I488-E490 VanDerWaalsContact C-N 3.35Å; E490-S492 VanDerWaalsContact C-N 3.29Å; E490-S492 PolarHBondContact O-N 3.42Å; E490-V493 PolarHBondContact O-N 2.98Å; E490-Y494 WeakPolarHBondContact O-CB 3.41Å; E490-Y494 PolarHBondContact O-N 3.35Å; E490-N546 PolarHBondContact OE1-ND2 3.18Å; E490-N546 PolarHBondContact OE2-ND2 3.12Å
491	A	93.9	Very high	94	Very high	50 Å²	50	55.7 Å²	55.7	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-35.1	177.2	0	0	0	0	0	112	P487 I488 E489 Y494 S495	P487-A491 VanDerWaalsContact O-CB 3.31Å; P487-A491 WeakPolarHBondContact O-CB 3.45Å; P487-A491 PolarHBondContact O-N 2.88Å; I488-A491 PolarHBondContact O-N 3.24Å; E489-A491 PolarHBondContact O-N 2.94Å; A491-Y494 PolarHBondContact O-N 3.12Å; A491-S495 VanDerWaalsContact O-CB 3.31Å; A491-S495 WeakPolarHBondContact O-CB 3.44Å; A491-S495 PolarHBondContact O-N 2.83Å; A491-S495 PolarHBondContact O-OG 3.28Å
492	S	95.9	Very high	94	Very high	81 Å²	81	61.5 Å²	61.5	57%	0.566	37%	0.371	S	S	*	.	H	α-helix	trans	-66.6	-42.3	175.6	-173.3	0	0	0	0	112.1	I488 E489 E490 G496	I488-S492 WeakPolarHBondContact O-CB 3.33Å; I488-S492 PolarHBondContact O-N 3.4Å; E489-S492 WeakPolarHBondContact O-CB 3.43Å; E489-S492 PolarHBondContact O-N 3.24Å; E490-S492 VanDerWaalsContact C-N 3.29Å; E490-S492 PolarHBondContact O-N 3.42Å; S492-G496 PolarHBondContact O-N 3.42Å
493	V	95.5	Very high	94	Very high	19 Å²	19	65.5 Å²	65.5	12%	0.115	39%	0.386	C	S	.	.	H	α-helix	trans	-64.3	-46.1	174.4	175.7	0	0	0	0	109.7	Q480 W481 E489 E490 S495 G496 Y497 L537	Q480-V493 HydrophobicContact CG-CG1 4.25Å; Q480-V493 HydrophobicContact CG-CG2 4.21Å; W481-V493 HydrophobicContact CB-CG1 4.06Å; E489-V493 WeakPolarHBondContact O-CG2 3.29Å; E489-V493 PolarHBondContact O-N 2.87Å; E490-V493 PolarHBondContact O-N 2.98Å; V493-S495 PolarHBondContact O-N 3.32Å; V493-G496 PolarHBondContact O-N 3.47Å; V493-Y497 HydrophobicContact CG1-CD2 4.19Å; V493-Y497 HydrophobicContact CG1-CE2 4.17Å; V493-Y497 WeakPolarHBondContact O-CD2 3.47Å; V493-Y497 PolarHBondContact O-N 3.34Å; V493-L537 HydrophobicContact CG1-CD2 4.43Å
494	Y	95.6	Very high	94.1	Very high	18 Å²	18	63.5 Å²	63.5	7%	0.071	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-45.5	179.9	-155.6	-98.9	0	0	0	112.3	E490 A491 V499 D501 L537 R541	E490-Y494 WeakPolarHBondContact O-CB 3.41Å; E490-Y494 PolarHBondContact O-N 3.35Å; A491-Y494 PolarHBondContact O-N 3.12Å; Y494-V499 HydrophobicContact CD1-CB 3.88Å; Y494-V499 HydrophobicContact CD1-CG1 4.49Å; Y494-V499 HydrophobicContact CD1-CG2 4.35Å; Y494-V499 HydrophobicContact CD2-CB 4.37Å; Y494-V499 HydrophobicContact CD2-CG2 4.17Å; Y494-V499 HydrophobicContact CE1-CB 3.54Å; Y494-V499 HydrophobicContact CE1-CG1 3.7Å; Y494-V499 HydrophobicContact CE1-CG2 4.35Å; Y494-V499 HydrophobicContact CE2-CB 4.05Å; Y494-V499 HydrophobicContact CE2-CG1 3.83Å; Y494-V499 HydrophobicContact CE2-CG2 4.14Å; Y494-V499 HydrophobicContact CG-CB 4.29Å; Y494-V499 HydrophobicContact CG-CG2 4.27Å; Y494-V499 WeakPolarHBondContact O-CG2 3.49Å; Y494-V499 PolarHBondContact O-N 2.81Å; Y494-V499 WeakPolarHBondContact OH-CG1 3.34Å; Y494-D501 WeakPolarHBondContact CE1-OD1 3.45Å; Y494-D501 PolarHBondContact OH-OD1 2.92Å; Y494-L537 HydrophobicContact CD2-CB 4.22Å; Y494-L537 HydrophobicContact CE2-CB 4.15Å; Y494-R541 HydrophobicContact CE2-CB 4.34Å
495	S	95.4	Very high	94.4	Very high	85 Å²	85	65.2 Å²	65.2	59%	0.594	38%	0.378	S	S	*	.	H	α-helix	trans	-71.5	-32.7	178.6	-51.5	0	0	0	0	112.2	A491 V493 Y497 E498	A491-S495 VanDerWaalsContact O-CB 3.31Å; A491-S495 WeakPolarHBondContact O-CB 3.44Å; A491-S495 PolarHBondContact O-N 2.83Å; A491-S495 PolarHBondContact O-OG 3.28Å; V493-S495 PolarHBondContact O-N 3.32Å; S495-Y497 VanDerWaalsContact C-N 3.25Å; S495-Y497 PolarHBondContact O-N 2.71Å; S495-E498 PolarHBondContact O-N 2.64Å
496	G	95.8	Very high	95	Very high	61 Å²	61	64.9 Å²	64.9	63%	0.629	38%	0.375	S	S	*	.	H	α-helix	trans	-67.8	-21.2	179.5	0	0	0	0	0	114.6	S492 V493	S492-G496 PolarHBondContact O-N 3.42Å; V493-G496 PolarHBondContact O-N 3.47Å
497	Y	95.8	Very high	95.4	Very high	34 Å²	34	64.8 Å²	64.8	13%	0.133	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	12.7	170.3	-73.5	-81	0	0	0	112.6	V477 Q480 V493 S495 V499 R533 Q534 L537	V477-Y497 HydrophobicContact CB-CE2 4.29Å; V477-Y497 HydrophobicContact CG1-CD1 4.4Å; V477-Y497 HydrophobicContact CG1-CE1 3.62Å; V477-Y497 HydrophobicContact CG1-CE2 4.14Å; V477-Y497 VanDerWaalsContact CG1-CZ 3.47Å; V477-Y497 WeakPolarHBondContact CG1-OH 3.3Å; Q480-Y497 PolarHBondContact OE1-OH 3.49Å; V493-Y497 HydrophobicContact CG1-CD2 4.19Å; V493-Y497 HydrophobicContact CG1-CE2 4.17Å; V493-Y497 WeakPolarHBondContact O-CD2 3.47Å; V493-Y497 PolarHBondContact O-N 3.34Å; S495-Y497 VanDerWaalsContact C-N 3.25Å; S495-Y497 PolarHBondContact O-N 2.71Å; Y497-V499 PolarHBondContact O-N 3.43Å; Y497-V499 VanDerWaalsContact O-N 3.09Å; Y497-R533 HydrophobicContact CD1-CB 4.29Å; Y497-Q534 WeakPolarHBondContact O-CG 3.37Å; Y497-L537 HydrophobicContact CD2-CD1 3.51Å; Y497-L537 HydrophobicContact CE2-CD1 4.35Å; Y497-L537 HydrophobicContact CG-CD1 3.72Å
498	E	96.4	Very high	95.5	Very high	157 Å²	157	60 Å²	60	73%	0.734	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	41.2	175.9	-58.1	-176.9	159.9	0	0	112.9	S495 D500 Q534	S495-E498 PolarHBondContact O-N 2.64Å; E498-D500 PolarHBondContact O-N 3.45Å; E498-D500 VanDerWaalsContact O-N 3.12Å; E498-Q534 PolarHBondContact O-NE2 2.89Å; E498-Q534 PolarHBondContact O-OE1 3.43Å
499	V	96.9	Very high	95.6	Very high	18 Å²	18	58.2 Å²	58.2	11%	0.109	33%	0.329	C	S	.	.			trans	-67	115.4	-173.9	-174.4	0	0	0	0	110.3	Y494 Y497 Q534 L537 F538	Y494-V499 HydrophobicContact CD1-CB 3.88Å; Y494-V499 HydrophobicContact CD1-CG1 4.49Å; Y494-V499 HydrophobicContact CD1-CG2 4.35Å; Y494-V499 HydrophobicContact CD2-CB 4.37Å; Y494-V499 HydrophobicContact CD2-CG2 4.17Å; Y494-V499 HydrophobicContact CE1-CB 3.54Å; Y494-V499 HydrophobicContact CE1-CG1 3.7Å; Y494-V499 HydrophobicContact CE1-CG2 4.35Å; Y494-V499 HydrophobicContact CE2-CB 4.05Å; Y494-V499 HydrophobicContact CE2-CG1 3.83Å; Y494-V499 HydrophobicContact CE2-CG2 4.14Å; Y494-V499 HydrophobicContact CG-CB 4.29Å; Y494-V499 HydrophobicContact CG-CG2 4.27Å; Y494-V499 WeakPolarHBondContact O-CG2 3.49Å; Y494-V499 PolarHBondContact O-N 2.81Å; Y494-V499 WeakPolarHBondContact OH-CG1 3.34Å; Y497-V499 PolarHBondContact O-N 3.43Å; Y497-V499 VanDerWaalsContact O-N 3.09Å; V499-Q534 HydrophobicContact CG1-CB 4.24Å; V499-Q534 HydrophobicContact CG2-CB 4.4Å; V499-Q534 HydrophobicContact CG2-CG 4.29Å; V499-L537 HydrophobicContact CG2-CB 4Å; V499-L537 HydrophobicContact CG2-CD1 3.82Å; V499-F538 HydrophobicContact CG1-CB 4.11Å
500	D	97.3	Very high	95.5	Very high	79 Å²	79	57 Å²	57	42%	0.422	33%	0.331	S	S	.	.			trans	-93.7	106.7	174.4	-178.6	-19.6	0	0	0	110.2	E498 D502 W503 C504	E498-D500 PolarHBondContact O-N 3.45Å; E498-D500 VanDerWaalsContact O-N 3.12Å; D500-D502 VanDerWaalsContact C-N 3.32Å; D500-D502 PolarHBondContact O-N 3.11Å; D500-D502 PolarHBondContact OD1-N 3.07Å; D500-W503 HydrophobicContact CB-CB 3.82Å; D500-W503 VanDerWaalsContact CG-CB 3.47Å; D500-W503 PolarHBondContact O-N 3.48Å; D500-W503 PolarHBondContact OD1-N 3.05Å; D500-C504 WeakPolarHBondContact O-CB 3.21Å; D500-C504 PolarHBondContact O-N 3.43Å; D500-C504 PolarHBondContact O-SG 3.04Å
501	D	96.8	Very high	95.3	Very high	44 Å²	44	57.2 Å²	57.2	24%	0.235	33%	0.331	C	S	.	.	H	α-helix	trans	-58.3	-40.3	178.5	-90.5	62.8	0	0	0	112.2	Y494 C504 L505 F538 K542	Y494-D501 WeakPolarHBondContact CE1-OD1 3.45Å; Y494-D501 PolarHBondContact OH-OD1 2.92Å; D501-C504 PolarHBondContact O-N 2.93Å; D501-L505 WeakPolarHBondContact O-CB 3.4Å; D501-L505 VanDerWaalsContact O-CG 3.27Å; D501-L505 WeakPolarHBondContact O-CG 3.49Å; D501-L505 PolarHBondContact O-N 3.47Å; D501-F538 HydrophobicContact CB-CD2 4.31Å; D501-F538 HydrophobicContact CB-CE2 4Å; D501-F538 WeakPolarHBondContact OD2-CE2 3.25Å; D501-K542 IonicContact OD2-NZ 3.54Å; D501-K542 PolarHBondContact OD2-NZ 3.27Å
502	D	97.5	Very high	95	Very high	127 Å²	127	58.8 Å²	58.8	68%	0.679	33%	0.33	S	S	*	.	H	α-helix	trans	-73.2	-41.5	-175.9	-72.7	-32.7	0	0	0	110.6	D500 L505 S506	D500-D502 VanDerWaalsContact C-N 3.32Å; D500-D502 PolarHBondContact O-N 3.11Å; D500-D502 PolarHBondContact OD1-N 3.07Å; D502-L505 PolarHBondContact O-N 2.89Å; D502-S506 WeakPolarHBondContact O-CB 3.22Å; D502-S506 PolarHBondContact O-N 3Å; D502-S506 PolarHBondContact O-OG 2.98Å
503	W	97	Very high	94.2	Very high	84 Å²	84	60.5 Å²	60.5	32%	0.318	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-48	171.8	175.9	81.7	0	0	0	110.9	D500 L505 S506 V507 M527 Q534 L535	D500-W503 HydrophobicContact CB-CB 3.82Å; D500-W503 VanDerWaalsContact CG-CB 3.47Å; D500-W503 PolarHBondContact O-N 3.48Å; D500-W503 PolarHBondContact OD1-N 3.05Å; W503-L505 VanDerWaalsContact C-N 3.34Å; W503-L505 PolarHBondContact O-N 3.21Å; W503-S506 PolarHBondContact O-N 2.78Å; W503-S506 VanDerWaalsContact O-N 3.15Å; W503-S506 PolarHBondContact O-OG 3.07Å; W503-V507 HydrophobicContact CD2-CG2 4.16Å; W503-V507 HydrophobicContact CH2-CG2 4.39Å; W503-V507 HydrophobicContact CZ2-CG2 3.82Å; W503-V507 WeakPolarHBondContact O-CG2 3.43Å; W503-V507 PolarHBondContact O-N 3.36Å; W503-M527 HydrophobicContact CH2-CE 3.28Å; W503-M527 HydrophobicContact CZ2-CE 3.53Å; W503-M527 HydrophobicContact CZ3-CE 4.45Å; W503-Q534 HydrophobicContact CZ3-CB 3.96Å; W503-L535 HydrophobicContact CH2-CD1 4.42Å; W503-L535 HydrophobicContact CH2-CG 4.31Å; W503-L535 HydrophobicContact CZ3-CG 4.04Å
504	C	97.4	Very high	92.9	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-57.4	-45.3	177.6	-72.2	0	0	0	0	112	D500 D501 L508 L535 F538	D500-C504 WeakPolarHBondContact O-CB 3.21Å; D500-C504 PolarHBondContact O-N 3.43Å; D500-C504 PolarHBondContact O-SG 3.04Å; D501-C504 PolarHBondContact O-N 2.93Å; C504-L508 VanDerWaalsContact O-CG 3.3Å; C504-L508 WeakPolarHBondContact O-CG 2.99Å; C504-L508 PolarHBondContact O-N 2.79Å; C504-L508 VanDerWaalsContact O-N 3.13Å; C504-L535 HydrophobicContact CB-CD2 3.86Å; C504-F538 HydrophobicContact CB-CB 4Å; C504-F538 HydrophobicContact CB-CD1 3.77Å; C504-F538 HydrophobicContact CB-CD2 3.62Å; C504-F538 HydrophobicContact CB-CE1 4.13Å; C504-F538 HydrophobicContact CB-CE2 3.95Å; C504-F538 HydrophobicContact CB-CG 3.51Å; C504-F538 HydrophobicContact CB-CZ 4.21Å
505	L	96.6	Very high	91.6	Very high	41 Å²	41	71.4 Å²	71.4	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-61.9	-43.7	176.2	-77.4	171.3	0	0	0	112.2	D501 D502 W503 L508 K509 F538 W564 L566	D501-L505 WeakPolarHBondContact O-CB 3.4Å; D501-L505 VanDerWaalsContact O-CG 3.27Å; D501-L505 WeakPolarHBondContact O-CG 3.49Å; D501-L505 PolarHBondContact O-N 3.47Å; D502-L505 PolarHBondContact O-N 2.89Å; W503-L505 VanDerWaalsContact C-N 3.34Å; W503-L505 PolarHBondContact O-N 3.21Å; L505-L508 PolarHBondContact O-N 3.35Å; L505-K509 WeakPolarHBondContact O-CB 3.49Å; L505-K509 WeakPolarHBondContact O-CG 3.43Å; L505-K509 PolarHBondContact O-N 3.36Å; L505-F538 HydrophobicContact CD2-CE1 4.35Å; L505-F538 HydrophobicContact CD2-CZ 3.63Å; L505-F538 HydrophobicContact CG-CE2 4.15Å; L505-F538 HydrophobicContact CG-CZ 3.65Å; L505-W564 HydrophobicContact CD2-CZ2 4.17Å; L505-L566 HydrophobicContact CD2-CD1 4.11Å
506	S	95.6	Very high	89.9	Confident	64 Å²	64	75.7 Å²	75.7	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-64.5	-42.2	-179.4	68.8	0	0	0	0	112.1	D502 W503 K509 S510	D502-S506 WeakPolarHBondContact O-CB 3.22Å; D502-S506 PolarHBondContact O-N 3Å; D502-S506 PolarHBondContact O-OG 2.98Å; W503-S506 PolarHBondContact O-N 2.78Å; W503-S506 VanDerWaalsContact O-N 3.15Å; W503-S506 PolarHBondContact O-OG 3.07Å; S506-K509 PolarHBondContact O-N 3.49Å; S506-S510 WeakPolarHBondContact O-CB 3.05Å; S506-S510 PolarHBondContact O-N 3.23Å
507	V	94.6	Very high	88.6	Confident	33 Å²	33	74.8 Å²	74.8	20%	0.2	38%	0.383	C	S	.	.	H	α-helix	trans	-60.2	-48.3	175.5	171.8	0	0	0	0	111.1	W503 S510 Y511 V523 M527 L535	W503-V507 HydrophobicContact CD2-CG2 4.16Å; W503-V507 HydrophobicContact CH2-CG2 4.39Å; W503-V507 HydrophobicContact CZ2-CG2 3.82Å; W503-V507 WeakPolarHBondContact O-CG2 3.43Å; W503-V507 PolarHBondContact O-N 3.36Å; V507-S510 PolarHBondContact O-N 2.97Å; V507-Y511 PolarHBondContact O-N 3.46Å; V507-V523 HydrophobicContact CG1-CG2 4.07Å; V507-M527 HydrophobicContact CG1-CE 4.26Å; V507-M527 HydrophobicContact CG1-SD 4.18Å; V507-L535 HydrophobicContact CG1-CD1 4.12Å
508	L	94.4	Very high	88.2	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-66.5	-42	-178.4	-68.1	172.1	0	0	0	111.8	Y466 C504 L505 Y511 Q512 W521 V523 L535 F538 L539 W564 L566	Y466-L508 HydrophobicContact CE1-CD2 4.46Å; C504-L508 VanDerWaalsContact O-CG 3.3Å; C504-L508 WeakPolarHBondContact O-CG 2.99Å; C504-L508 PolarHBondContact O-N 2.79Å; C504-L508 VanDerWaalsContact O-N 3.13Å; L505-L508 PolarHBondContact O-N 3.35Å; L508-Y511 PolarHBondContact O-N 3.12Å; L508-Q512 PolarHBondContact O-N 3.42Å; L508-W521 HydrophobicContact CD2-CE3 4.46Å; L508-W521 HydrophobicContact CD2-CZ3 4.26Å; L508-V523 HydrophobicContact CD2-CG1 4.33Å; L508-V523 HydrophobicContact CD2-CG2 4.43Å; L508-L535 HydrophobicContact CD1-CD2 4.23Å; L508-L535 HydrophobicContact CD2-CD2 4.31Å; L508-L535 HydrophobicContact CG-CD2 4.01Å; L508-F538 HydrophobicContact CD1-CD1 4.14Å; L508-F538 HydrophobicContact CD1-CE1 3.83Å; L508-L539 HydrophobicContact CD1-CD2 3.94Å; L508-W564 HydrophobicContact CD1-CH2 4Å; L508-L566 HydrophobicContact CB-CD1 3.6Å; L508-L566 HydrophobicContact CB-CD2 3.72Å; L508-L566 HydrophobicContact CB-CG 4.32Å; L508-L566 HydrophobicContact CD1-CD1 4.32Å
509	K	93.1	Very high	88.1	Confident	100 Å²	100	70.4 Å²	70.4	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-66.3	-39.5	177.9	-76.4	178.8	177.2	179.1	0	112.8	L505 S506 Y511 Q512 T513 L566	L505-K509 WeakPolarHBondContact O-CB 3.49Å; L505-K509 WeakPolarHBondContact O-CG 3.43Å; L505-K509 PolarHBondContact O-N 3.36Å; S506-K509 PolarHBondContact O-N 3.49Å; K509-Y511 VanDerWaalsContact C-N 3.32Å; K509-Q512 PolarHBondContact O-N 3.03Å; K509-T513 PolarHBondContact O-N 3.3Å; K509-T513 VanDerWaalsContact O-N 3.09Å; K509-T513 PolarHBondContact O-OG1 2.99Å; K509-L566 WeakPolarHBondContact CE-OXT 3.36Å; K509-L566 HydrophobicContact CG-CD1 3.96Å; K509-L566 HydrophobicContact CG-CG 4.03Å
510	S	90.9	Very high	88	Confident	69 Å²	69	73.3 Å²	73.3	48%	0.483	39%	0.391	S	S	.	.	H	α-helix	trans	-58.9	-48.2	172.8	-170	0	0	0	0	110	S506 V507 Q512 T513 D514	S506-S510 WeakPolarHBondContact O-CB 3.05Å; S506-S510 PolarHBondContact O-N 3.23Å; V507-S510 PolarHBondContact O-N 2.97Å; S510-Q512 VanDerWaalsContact C-N 3.29Å; S510-Q512 PolarHBondContact O-N 3.47Å; S510-T513 PolarHBondContact O-N 3.46Å; S510-D514 PolarHBondContact O-N 3.26Å
511	Y	89.3	Confident	87.8	Confident	37 Å²	37	70.1 Å²	70.1	15%	0.145	37%	0.373	C	S	.	.	H	α-helix	trans	-61.8	-36.5	178.7	-166.5	-87.2	0	0	0	112.8	V507 L508 K509 R515 V517 W521 S522 V523	V507-Y511 PolarHBondContact O-N 3.46Å; L508-Y511 PolarHBondContact O-N 3.12Å; K509-Y511 VanDerWaalsContact C-N 3.32Å; Y511-R515 PolarHBondContact OH-NH1 2.91Å; Y511-V517 HydrophobicContact CD1-CG1 4.13Å; Y511-V517 HydrophobicContact CE1-CG1 3.72Å; Y511-W521 HydrophobicContact CD1-CB 4.45Å; Y511-W521 HydrophobicContact CD1-CD2 4.02Å; Y511-W521 AromaticContact CD1-CE3 3.73Å; Y511-W521 HydrophobicContact CD1-CE3 3.73Å; Y511-W521 HydrophobicContact CD1-CG 4.34Å; Y511-W521 HydrophobicContact CD1-CZ3 4.27Å; Y511-W521 HydrophobicContact CE1-CB 3.83Å; Y511-W521 HydrophobicContact CE1-CD2 4.1Å; Y511-W521 HydrophobicContact CE1-CE3 4.24Å; Y511-W521 AromaticContact CE1-CG 3.94Å; Y511-W521 HydrophobicContact CE1-CG 3.94Å; Y511-S522 WeakPolarHBondContact OH-CA 3.4Å; Y511-S522 WeakPolarHBondContact OH-CB 3.39Å; Y511-S522 PolarHBondContact OH-N 3.19Å; Y511-S522 PolarHBondContact OH-OG 2.78Å; Y511-V523 HydrophobicContact CD1-CB 4.23Å; Y511-V523 HydrophobicContact CD2-CB 3.72Å; Y511-V523 HydrophobicContact CD2-CG2 4.19Å; Y511-V523 HydrophobicContact CE1-CB 4.43Å; Y511-V523 HydrophobicContact CE2-CB 3.93Å; Y511-V523 HydrophobicContact CG-CB 3.89Å; Y511-V523 HydrophobicContact CG-CG2 4.35Å
512	Q	87.3	Confident	87.6	Confident	84 Å²	84	69.4 Å²	69.4	39%	0.393	37%	0.372	S	S	.	.	H	α-helix	trans	-69.2	-37.1	179.6	-171.6	-177	22.2	0	0	113.2	L508 K509 S510 D514 V517 W521 L566	L508-Q512 PolarHBondContact O-N 3.42Å; K509-Q512 PolarHBondContact O-N 3.03Å; S510-Q512 VanDerWaalsContact C-N 3.29Å; S510-Q512 PolarHBondContact O-N 3.47Å; Q512-D514 VanDerWaalsContact C-N 3.31Å; Q512-D514 PolarHBondContact O-N 3.33Å; Q512-V517 HydrophobicContact CB-CG2 4.39Å; Q512-V517 HydrophobicContact CG-CG2 4Å; Q512-V517 WeakPolarHBondContact O-CG2 3.22Å; Q512-W521 HydrophobicContact CB-CH2 4.04Å; Q512-W521 HydrophobicContact CG-CH2 4.27Å; Q512-L566 HydrophobicContact CB-CD2 4.1Å
513	T	79.9	Confident	87.4	Confident	117 Å²	117	63.6 Å²	63.6	72%	0.718	34%	0.341	S	S	*	.	H	α-helix	trans	-71.4	-30.4	-176.8	-52.3	0	0	0	0	111.7	K509 S510	K509-T513 PolarHBondContact O-N 3.3Å; K509-T513 VanDerWaalsContact O-N 3.09Å; K509-T513 PolarHBondContact O-OG1 2.99Å; S510-T513 PolarHBondContact O-N 3.46Å
514	D	67.8	Low	87.2	Confident	120 Å²	120	59.8 Å²	59.8	64%	0.642	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-8.3	-172.6	-67.3	-21.8	0	0	0	113.9	S510 Q512	S510-D514 PolarHBondContact O-N 3.26Å; Q512-D514 VanDerWaalsContact C-N 3.31Å; Q512-D514 PolarHBondContact O-N 3.33Å
515	R	68.7	Low	86.8	Confident	146 Å²	146	64.7 Å²	64.7	55%	0.551	35%	0.351	S	S	*	.	S	Bend	trans	-145.3	156.1	-171.5	-64.1	-170.1	178.4	-171.1	0.1	113.9	Y511 V517 S522	Y511-R515 PolarHBondContact OH-NH1 2.91Å; R515-V517 HydrophobicContact CB-CG1 4.16Å; R515-V517 HydrophobicContact CB-CG2 4.32Å; R515-V517 WeakPolarHBondContact O-CG2 3.3Å; R515-V517 PolarHBondContact O-N 2.99Å; R515-S522 PolarHBondContact NH1-OG 3.29Å
516	D	58.3	Low	86.5	Confident	174 Å²	174	70.3 Å²	70.3	93%	0.93	38%	0.381	S	S	*	.			trans	-82.2	87.2	169.7	-149.5	6.1	0	0	0	108	S518	D516-S518 PolarHBondContact O-N 3.46Å
517	V	69.6	Low	86.4	Confident	42 Å²	42	69.4 Å²	69.4	26%	0.255	37%	0.37	S	S	.	.			trans	-99.7	86.8	-156.2	-117.5	0	0	0	0	114.4	Y511 Q512 R515 W521	Y511-V517 HydrophobicContact CD1-CG1 4.13Å; Y511-V517 HydrophobicContact CE1-CG1 3.72Å; Q512-V517 HydrophobicContact CB-CG2 4.39Å; Q512-V517 HydrophobicContact CG-CG2 4Å; Q512-V517 WeakPolarHBondContact O-CG2 3.22Å; R515-V517 HydrophobicContact CB-CG1 4.16Å; R515-V517 HydrophobicContact CB-CG2 4.32Å; R515-V517 WeakPolarHBondContact O-CG2 3.3Å; R515-V517 PolarHBondContact O-N 2.99Å; V517-W521 HydrophobicContact CB-CZ2 3.92Å; V517-W521 VanDerWaalsContact CG1-CD1 3.46Å; V517-W521 HydrophobicContact CG1-CD2 4.02Å; V517-W521 HydrophobicContact CG1-CG 3.97Å; V517-W521 HydrophobicContact CG1-CZ2 4.17Å; V517-W521 VanDerWaalsContact CG1-NE1 3.25Å; V517-W521 HydrophobicContact CG2-CZ2 4.18Å
518	S	88	Confident	86.4	Confident	79 Å²	79	72.6 Å²	72.6	55%	0.552	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-77.3	145.4	150.8	58.7	0	0	0	0	110.2	D516	D516-S518 PolarHBondContact O-N 3.46Å
519	F	93.3	Very high	86.5	Confident	21 Å²	21	75.8 Å²	75.8	9%	0.092	41%	0.407	C	S	.	.	S	Bend	trans	-60.1	144.6	164	-63.9	-63.9	0	0	0	110.7	Q427 F464 R465 Y466 W521	Q427-F519 WeakPolarHBondContact O-CE2 3.21Å; F464-F519 HydrophobicContact CE1-CB 4.39Å; R465-F519 HydrophobicContact CB-CB 4.44Å; R465-F519 HydrophobicContact CB-CD1 3.5Å; R465-F519 HydrophobicContact CB-CE1 3.8Å; R465-F519 HydrophobicContact CB-CG 3.92Å; R465-F519 HydrophobicContact CB-CZ 4.45Å; R465-F519 HydrophobicContact CG-CB 4.05Å; R465-F519 HydrophobicContact CG-CD1 3.69Å; R465-F519 HydrophobicContact CG-CD2 3.84Å; R465-F519 HydrophobicContact CG-CE1 4.06Å; R465-F519 HydrophobicContact CG-CE2 4.2Å; R465-F519 HydrophobicContact CG-CG 3.57Å; R465-F519 HydrophobicContact CG-CZ 4.3Å; R465-F519 WeakPolarHBondContact O-CD1 3.34Å; Y466-F519 AromaticContact CE1-CE1 3.7Å; Y466-F519 HydrophobicContact CE1-CE1 3.7Å; Y466-F519 HydrophobicContact CE2-CE1 4.25Å; Y466-F519 AromaticContact CZ-CE1 3.55Å; Y466-F519 WeakPolarHBondContact OH-CE1 3.26Å; F519-W521 AromaticContact CD1-CD1 3.47Å; F519-W521 VanDerWaalsContact CD1-CD1 3.47Å; F519-W521 HydrophobicContact CD1-CD2 4.23Å; F519-W521 AromaticContact CD1-CG 3.85Å; F519-W521 HydrophobicContact CD1-CG 3.85Å; F519-W521 AromaticContact CD1-NE1 3.56Å; F519-W521 AromaticContact CE1-CD1 3.87Å; F519-W521 AromaticContact CE1-CD2 3.87Å; F519-W521 HydrophobicContact CE1-CD2 3.87Å; F519-W521 AromaticContact CE1-CE2 3.68Å; F519-W521 AromaticContact CE1-CG 3.98Å; F519-W521 HydrophobicContact CE1-CG 3.98Å; F519-W521 HydrophobicContact CE1-CZ2 4.27Å; F519-W521 AromaticContact CE1-NE1 3.63Å; F519-W521 HydrophobicContact CZ-CZ2 4.47Å
520	P	94.9	Very high	86.6	Confident	78 Å²	78	74.3 Å²	74.3	51%	0.506	40%	0.401	S	S	.	.	S	Bend	cis	-80.2	143.5	7.2	32.8	-37.7	0	0	0	114.3	F464 P467	F464-P520 WeakPolarHBondContact O-CB 3.44Å; P467-P520 HydrophobicContact CG-CB 4.1Å
521	W	93.9	Very high	86.8	Confident	12 Å²	12	71.2 Å²	71.2	5%	0.045	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-92.6	138.1	174.3	-67.7	8.6	0	0	0	111.3	R465 Y466 P467 L508 Y511 Q512 V517 F519 V523 L566	R465-W521 PolarHBondContact O-N 3.34Å; Y466-W521 HydrophobicContact CD1-CB 4.25Å; Y466-W521 HydrophobicContact CD1-CE3 4.39Å; Y466-W521 HydrophobicContact CE1-CD2 4.14Å; Y466-W521 AromaticContact CE1-CE3 3.78Å; Y466-W521 HydrophobicContact CE1-CE3 3.78Å; Y466-W521 HydrophobicContact CE1-CZ3 4.38Å; P467-W521 WeakPolarHBondContact CD-O 3.44Å; L508-W521 HydrophobicContact CD2-CE3 4.46Å; L508-W521 HydrophobicContact CD2-CZ3 4.26Å; Y511-W521 HydrophobicContact CD1-CB 4.45Å; Y511-W521 HydrophobicContact CD1-CD2 4.02Å; Y511-W521 AromaticContact CD1-CE3 3.73Å; Y511-W521 HydrophobicContact CD1-CE3 3.73Å; Y511-W521 HydrophobicContact CD1-CG 4.34Å; Y511-W521 HydrophobicContact CD1-CZ3 4.27Å; Y511-W521 HydrophobicContact CE1-CB 3.83Å; Y511-W521 HydrophobicContact CE1-CD2 4.1Å; Y511-W521 HydrophobicContact CE1-CE3 4.24Å; Y511-W521 AromaticContact CE1-CG 3.94Å; Y511-W521 HydrophobicContact CE1-CG 3.94Å; Q512-W521 HydrophobicContact CB-CH2 4.04Å; Q512-W521 HydrophobicContact CG-CH2 4.27Å; V517-W521 HydrophobicContact CB-CZ2 3.92Å; V517-W521 VanDerWaalsContact CG1-CD1 3.46Å; V517-W521 HydrophobicContact CG1-CD2 4.02Å; V517-W521 HydrophobicContact CG1-CG 3.97Å; V517-W521 HydrophobicContact CG1-CZ2 4.17Å; V517-W521 VanDerWaalsContact CG1-NE1 3.25Å; V517-W521 HydrophobicContact CG2-CZ2 4.18Å; F519-W521 AromaticContact CD1-CD1 3.47Å; F519-W521 VanDerWaalsContact CD1-CD1 3.47Å; F519-W521 HydrophobicContact CD1-CD2 4.23Å; F519-W521 AromaticContact CD1-CG 3.85Å; F519-W521 HydrophobicContact CD1-CG 3.85Å; F519-W521 AromaticContact CD1-NE1 3.56Å; F519-W521 AromaticContact CE1-CD1 3.87Å; F519-W521 AromaticContact CE1-CD2 3.87Å; F519-W521 HydrophobicContact CE1-CD2 3.87Å; F519-W521 AromaticContact CE1-CE2 3.68Å; F519-W521 AromaticContact CE1-CG 3.98Å; F519-W521 HydrophobicContact CE1-CG 3.98Å; F519-W521 HydrophobicContact CE1-CZ2 4.27Å; F519-W521 AromaticContact CE1-NE1 3.63Å; F519-W521 HydrophobicContact CZ-CZ2 4.47Å; W521-V523 VanDerWaalsContact C-N 3.29Å; W521-V523 HydrophobicContact CB-CG1 3.92Å; W521-V523 HydrophobicContact CE3-CG1 4.2Å; W521-L566 HydrophobicContact CH2-CD2 3.62Å; W521-L566 HydrophobicContact CZ3-CD2 3.88Å
522	S	92.6	Very high	87.2	Confident	29 Å²	29	72.2 Å²	72.2	20%	0.203	38%	0.384	C	S	.	.			trans	-88	8.1	175.9	81.5	0	0	0	0	113.7	Y511 R515 G524 E525	Y511-S522 WeakPolarHBondContact OH-CA 3.4Å; Y511-S522 WeakPolarHBondContact OH-CB 3.39Å; Y511-S522 PolarHBondContact OH-N 3.19Å; Y511-S522 PolarHBondContact OH-OG 2.78Å; R515-S522 PolarHBondContact NH1-OG 3.29Å; S522-G524 PolarHBondContact O-N 2.97Å; S522-E525 WeakPolarHBondContact O-CB 3.47Å; S522-E525 PolarHBondContact O-N 2.92Å
523	V	92.9	Very high	87.7	Confident	6 Å²	6	70.4 Å²	70.4	4%	0.036	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	134.3	174	59.4	0	0	0	0	109.9	Y466 K468 I469 V507 L508 Y511 W521 M527	Y466-V523 HydrophobicContact CD1-CG1 3.91Å; K468-V523 WeakPolarHBondContact CB-O 3.27Å; I469-V523 HydrophobicContact CD1-CB 4.47Å; I469-V523 HydrophobicContact CD1-CG1 3.56Å; I469-V523 HydrophobicContact CD1-CG2 4.3Å; I469-V523 HydrophobicContact CG1-CG1 4.36Å; I469-V523 WeakPolarHBondContact CG1-O 3.49Å; V507-V523 HydrophobicContact CG1-CG2 4.07Å; L508-V523 HydrophobicContact CD2-CG1 4.33Å; L508-V523 HydrophobicContact CD2-CG2 4.43Å; Y511-V523 HydrophobicContact CD1-CB 4.23Å; Y511-V523 HydrophobicContact CD2-CB 3.72Å; Y511-V523 HydrophobicContact CD2-CG2 4.19Å; Y511-V523 HydrophobicContact CE1-CB 4.43Å; Y511-V523 HydrophobicContact CE2-CB 3.93Å; Y511-V523 HydrophobicContact CG-CB 3.89Å; Y511-V523 HydrophobicContact CG-CG2 4.35Å; W521-V523 VanDerWaalsContact C-N 3.29Å; W521-V523 HydrophobicContact CB-CG1 3.92Å; W521-V523 HydrophobicContact CE3-CG1 4.2Å; V523-M527 HydrophobicContact CG2-SD 4.41Å
524	G	91.7	Very high	88.5	Confident	4 Å²	4	66 Å²	66	4%	0.041	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-9	-175	0	0	0	0	0	115.5	S522 D526 M527 R532	S522-G524 PolarHBondContact O-N 2.97Å; G524-D526 PolarHBondContact O-N 3.31Å; G524-M527 PolarHBondContact O-N 2.92Å; G524-R532 WeakPolarHBondContact O-CD 3.43Å
525	E	90.1	Very high	90	Very high	102 Å²	102	60.3 Å²	60.3	48%	0.477	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-46.6	-178	-173.5	148.7	-130.5	0	0	113.1	K468 S522	K468-E525 HydrophobicContact CD-CB 4.38Å; K468-E525 WeakPolarHBondContact CE-OE1 3.35Å; K468-E525 HydrophobicContact CG-CB 4.27Å; K468-E525 IonicContact NZ-OE1 3.69Å; K468-E525 PolarHBondContact NZ-OE1 3.16Å; S522-E525 WeakPolarHBondContact O-CB 3.47Å; S522-E525 PolarHBondContact O-N 2.92Å
526	D	89.3	Confident	91.4	Very high	160 Å²	160	53.3 Å²	53.3	86%	0.856	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	15.5	-179.7	-55	-55.1	0	0	0	113	G524	G524-D526 PolarHBondContact O-N 3.31Å
527	M	93.6	Very high	93.3	Very high	44 Å²	44	45 Å²	45	22%	0.217	24%	0.244	C	C	.	.			trans	-91.6	148.5	-175.2	-66	-173.7	69.9	0	0	112.4	W503 V507 V523 G524 R532 L535	W503-M527 HydrophobicContact CH2-CE 3.28Å; W503-M527 HydrophobicContact CZ2-CE 3.53Å; W503-M527 HydrophobicContact CZ3-CE 4.45Å; V507-M527 HydrophobicContact CG1-CE 4.26Å; V507-M527 HydrophobicContact CG1-SD 4.18Å; V523-M527 HydrophobicContact CG2-SD 4.41Å; G524-M527 PolarHBondContact O-N 2.92Å; M527-R532 HydrophobicContact CB-CG 3.96Å; M527-L535 HydrophobicContact CE-CD1 3.45Å; M527-L535 VanDerWaalsContact CE-CD1 3.45Å; M527-L535 HydrophobicContact CE-CG 4.46Å; M527-L535 HydrophobicContact SD-CD1 3.53Å; M527-L535 VanDerWaalsContact SD-CD1 3.53Å
528	T	95.3	Very high	94.7	Very high	100 Å²	100	43 Å²	43	61%	0.613	23%	0.232	S	C	*	.			trans	-60.1	158.1	170.6	64.7	0	0	0	0	110.8	E530 G531 R532	T528-E530 PolarHBondContact O-N 3.43Å; T528-G531 PolarHBondContact O-N 3.39Å; T528-G531 PolarHBondContact OG1-N 3.34Å; T528-R532 PolarHBondContact O-N 2.92Å; T528-R532 VanDerWaalsContact O-N 3.14Å
529	L	95.2	Very high	95.2	Very high	68 Å²	68	39.3 Å²	39.3	36%	0.356	21%	0.205	S	C	.	.	H	α-helix	trans	-56.5	-39.5	175.8	-179.2	59.2	0	0	0	111.7	E473 R532 R533	E473-L529 HydrophobicContact CB-CD1 3.63Å; E473-L529 HydrophobicContact CG-CD1 3.8Å; L529-R532 PolarHBondContact O-N 3.49Å; L529-R533 WeakPolarHBondContact O-CG 3.35Å; L529-R533 PolarHBondContact O-N 2.89Å; L529-R533 VanDerWaalsContact O-N 3.1Å
530	E	95.6	Very high	95.4	Very high	68 Å²	68	38.3 Å²	38.3	32%	0.318	20%	0.201	S	C	.	.	H	α-helix	trans	-65.5	-48	-179.9	-165.6	50.7	-135.2	0	0	112.1	T528 R532 R533 Q534	T528-E530 PolarHBondContact O-N 3.43Å; E530-R532 VanDerWaalsContact C-N 3.25Å; E530-R532 PolarHBondContact O-N 3.21Å; E530-R533 WeakPolarHBondContact O-CB 3.44Å; E530-R533 PolarHBondContact O-N 2.9Å; E530-R533 IonicContact OE2-NH1 2.89Å; E530-R533 PolarHBondContact OE2-NH1 2.88Å; E530-Q534 PolarHBondContact O-N 3.27Å
531	G	95.9	Very high	95.5	Very high	4 Å²	4	40.5 Å²	40.5	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-36	177.3	0	0	0	0	0	113.2	T528 L535	T528-G531 PolarHBondContact O-N 3.39Å; T528-G531 PolarHBondContact OG1-N 3.34Å; G531-L535 WeakPolarHBondContact O-CG 3.5Å; G531-L535 PolarHBondContact O-N 3.01Å; G531-L535 VanDerWaalsContact O-N 3.11Å
532	R	97	Very high	95.6	Very high	59 Å²	59	42.4 Å²	42.4	22%	0.223	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-39.1	174.5	-71.8	-169.2	-73.6	-172	-0.7	112.9	K468 G524 M527 T528 L529 E530 A536	K468-R532 WeakPolarHBondContact O-CD 3.48Å; G524-R532 WeakPolarHBondContact O-CD 3.43Å; M527-R532 HydrophobicContact CB-CG 3.96Å; T528-R532 PolarHBondContact O-N 2.92Å; T528-R532 VanDerWaalsContact O-N 3.14Å; L529-R532 PolarHBondContact O-N 3.49Å; E530-R532 VanDerWaalsContact C-N 3.25Å; E530-R532 PolarHBondContact O-N 3.21Å; R532-A536 WeakPolarHBondContact O-CB 3.49Å; R532-A536 PolarHBondContact O-N 3.26Å
533	R	97.8	Very high	95.9	Very high	45 Å²	45	41.5 Å²	41.5	17%	0.17	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-44.7	177.7	-71.9	169.7	174.7	166.4	-2.8	111.3	E473 V477 Y497 L529 E530 A536 L537	E473-R533 IonicContact OE2-CZ 2.72Å; E473-R533 IonicContact OE2-NE 3.56Å; E473-R533 IonicContact OE2-NH2 3.46Å; E473-R533 PolarHBondContact OE2-NH2 3.42Å; V477-R533 HydrophobicContact CG1-CB 4.32Å; V477-R533 HydrophobicContact CG1-CG 3.83Å; V477-R533 HydrophobicContact CG2-CB 4.25Å; V477-R533 HydrophobicContact CG2-CG 4.29Å; Y497-R533 HydrophobicContact CD1-CB 4.29Å; L529-R533 WeakPolarHBondContact O-CG 3.35Å; L529-R533 PolarHBondContact O-N 2.89Å; L529-R533 VanDerWaalsContact O-N 3.1Å; E530-R533 WeakPolarHBondContact O-CB 3.44Å; E530-R533 PolarHBondContact O-N 2.9Å; E530-R533 IonicContact OE2-NH1 2.89Å; E530-R533 PolarHBondContact OE2-NH1 2.88Å; R533-A536 PolarHBondContact O-N 3.29Å; R533-L537 PolarHBondContact O-N 2.93Å; R533-L537 VanDerWaalsContact O-N 3.09Å
534	Q	98	Very high	96.2	Very high	25 Å²	25	41.4 Å²	41.4	12%	0.117	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-49.6	176.7	-68.9	-170.7	31	0	0	111.8	Y497 E498 V499 W503 E530 A536 L537 F538	Y497-Q534 WeakPolarHBondContact O-CG 3.37Å; E498-Q534 PolarHBondContact O-NE2 2.89Å; E498-Q534 PolarHBondContact O-OE1 3.43Å; V499-Q534 HydrophobicContact CG1-CB 4.24Å; V499-Q534 HydrophobicContact CG2-CB 4.4Å; V499-Q534 HydrophobicContact CG2-CG 4.29Å; W503-Q534 HydrophobicContact CZ3-CB 3.96Å; E530-Q534 PolarHBondContact O-N 3.27Å; Q534-A536 VanDerWaalsContact C-N 3.33Å; Q534-A536 PolarHBondContact O-N 3Å; Q534-L537 PolarHBondContact O-N 3.29Å; Q534-F538 WeakPolarHBondContact O-CB 3.36Å; Q534-F538 PolarHBondContact O-N 3.49Å
535	L	98.1	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-40.4	176.5	-77.8	171	0	0	0	112.8	I469 W503 C504 V507 L508 M527 G531 F538 L539	I469-L535 HydrophobicContact CD1-CB 3.92Å; I469-L535 HydrophobicContact CD1-CD1 3.85Å; I469-L535 HydrophobicContact CD1-CG 4.41Å; I469-L535 HydrophobicContact CG1-CB 4.24Å; I469-L535 HydrophobicContact CG1-CD1 4.16Å; I469-L535 HydrophobicContact CG2-CB 4.03Å; W503-L535 HydrophobicContact CH2-CD1 4.42Å; W503-L535 HydrophobicContact CH2-CG 4.31Å; W503-L535 HydrophobicContact CZ3-CG 4.04Å; C504-L535 HydrophobicContact CB-CD2 3.86Å; V507-L535 HydrophobicContact CG1-CD1 4.12Å; L508-L535 HydrophobicContact CD1-CD2 4.23Å; L508-L535 HydrophobicContact CD2-CD2 4.31Å; L508-L535 HydrophobicContact CG-CD2 4.01Å; M527-L535 HydrophobicContact CE-CD1 3.45Å; M527-L535 VanDerWaalsContact CE-CD1 3.45Å; M527-L535 HydrophobicContact CE-CG 4.46Å; M527-L535 HydrophobicContact SD-CD1 3.53Å; M527-L535 VanDerWaalsContact SD-CD1 3.53Å; G531-L535 WeakPolarHBondContact O-CG 3.5Å; G531-L535 PolarHBondContact O-N 3.01Å; G531-L535 VanDerWaalsContact O-N 3.11Å; L535-F538 PolarHBondContact O-N 2.94Å; L535-L539 WeakPolarHBondContact O-CB 3.33Å; L535-L539 WeakPolarHBondContact O-CD1 3.34Å; L535-L539 WeakPolarHBondContact O-CG 3.49Å; L535-L539 PolarHBondContact O-N 3.44Å
536	A	98.4	Very high	96.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-46.2	178.8	0	0	0	0	0	111.6	I469 M470 V477 V478 R532 R533 Q534 A540	I469-A536 HydrophobicContact CG2-CB 3.75Å; M470-A536 HydrophobicContact SD-CB 3.95Å; V477-A536 HydrophobicContact CG2-CB 4.14Å; V478-A536 HydrophobicContact CG2-CB 3.85Å; V478-A536 WeakPolarHBondContact CG2-O 3.29Å; R532-A536 WeakPolarHBondContact O-CB 3.49Å; R532-A536 PolarHBondContact O-N 3.26Å; R533-A536 PolarHBondContact O-N 3.29Å; Q534-A536 VanDerWaalsContact C-N 3.33Å; Q534-A536 PolarHBondContact O-N 3Å; A536-A540 WeakPolarHBondContact O-CB 3.41Å; A536-A540 PolarHBondContact O-N 2.81Å
537	L	98.4	Very high	96.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.9	-42.6	177.3	-70.6	174.2	0	0	0	112.3	V477 W481 V493 Y494 Y497 V499 R533 Q534 A540 R541	V477-L537 HydrophobicContact CB-CD2 4.35Å; V477-L537 HydrophobicContact CB-CG 4.38Å; V477-L537 HydrophobicContact CG2-CD2 4.31Å; V477-L537 HydrophobicContact CG2-CG 4.07Å; W481-L537 HydrophobicContact CB-CD2 3.66Å; W481-L537 HydrophobicContact CG-CD2 4.27Å; V493-L537 HydrophobicContact CG1-CD2 4.43Å; Y494-L537 HydrophobicContact CD2-CB 4.22Å; Y494-L537 HydrophobicContact CE2-CB 4.15Å; Y497-L537 HydrophobicContact CD2-CD1 3.51Å; Y497-L537 HydrophobicContact CE2-CD1 4.35Å; Y497-L537 HydrophobicContact CG-CD1 3.72Å; V499-L537 HydrophobicContact CG2-CB 4Å; V499-L537 HydrophobicContact CG2-CD1 3.82Å; R533-L537 PolarHBondContact O-N 2.93Å; R533-L537 VanDerWaalsContact O-N 3.09Å; Q534-L537 PolarHBondContact O-N 3.29Å; L537-A540 PolarHBondContact O-N 3.02Å; L537-R541 PolarHBondContact O-N 3.42Å; L537-R541 VanDerWaalsContact O-N 3.07Å
538	F	98.4	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-50.8	174.7	174.9	-90.8	0	0	0	111.2	V499 D501 C504 L505 L508 Q534 L535 A540 R541 K542 W564	V499-F538 HydrophobicContact CG1-CB 4.11Å; D501-F538 HydrophobicContact CB-CD2 4.31Å; D501-F538 HydrophobicContact CB-CE2 4Å; D501-F538 WeakPolarHBondContact OD2-CE2 3.25Å; C504-F538 HydrophobicContact CB-CB 4Å; C504-F538 HydrophobicContact CB-CD1 3.77Å; C504-F538 HydrophobicContact CB-CD2 3.62Å; C504-F538 HydrophobicContact CB-CE1 4.13Å; C504-F538 HydrophobicContact CB-CE2 3.95Å; C504-F538 HydrophobicContact CB-CG 3.51Å; C504-F538 HydrophobicContact CB-CZ 4.21Å; L505-F538 HydrophobicContact CD2-CE1 4.35Å; L505-F538 HydrophobicContact CD2-CZ 3.63Å; L505-F538 HydrophobicContact CG-CE2 4.15Å; L505-F538 HydrophobicContact CG-CZ 3.65Å; L508-F538 HydrophobicContact CD1-CD1 4.14Å; L508-F538 HydrophobicContact CD1-CE1 3.83Å; Q534-F538 WeakPolarHBondContact O-CB 3.36Å; Q534-F538 PolarHBondContact O-N 3.49Å; L535-F538 PolarHBondContact O-N 2.94Å; F538-A540 PolarHBondContact O-N 3.48Å; F538-R541 PolarHBondContact O-N 2.86Å; F538-K542 HydrophobicContact CD1-CG 4.23Å; F538-K542 HydrophobicContact CE1-CG 3.82Å; F538-K542 HydrophobicContact CE2-CD 4.44Å; F538-K542 HydrophobicContact CE2-CG 4.44Å; F538-K542 HydrophobicContact CZ-CD 4.18Å; F538-K542 HydrophobicContact CZ-CG 3.93Å; F538-K542 WeakPolarHBondContact O-CG 3.33Å; F538-K542 PolarHBondContact O-N 2.95Å; F538-W564 HydrophobicContact CE1-CH2 4.17Å; F538-W564 HydrophobicContact CE1-CZ2 4.05Å; F538-W564 HydrophobicContact CZ-CZ2 4.42Å
539	L	98.3	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.8	-43.5	178.7	-70.8	167.2	0	0	0	111.7	L462 Y466 I469 L508 L535 R541 K542 Y543 W564	L462-L539 HydrophobicContact CD2-CB 4.08Å; Y466-L539 HydrophobicContact CD1-CD1 4.04Å; Y466-L539 HydrophobicContact CD2-CD1 3.65Å; Y466-L539 HydrophobicContact CD2-CD2 4.44Å; Y466-L539 HydrophobicContact CE1-CD1 4.24Å; Y466-L539 HydrophobicContact CE1-CD2 4.27Å; Y466-L539 HydrophobicContact CE2-CD1 3.88Å; Y466-L539 HydrophobicContact CE2-CD2 3.81Å; Y466-L539 HydrophobicContact CE2-CG 4.38Å; Y466-L539 HydrophobicContact CG-CD1 3.73Å; I469-L539 HydrophobicContact CD1-CD1 3.85Å; I469-L539 HydrophobicContact CG2-CD1 4.37Å; L508-L539 HydrophobicContact CD1-CD2 3.94Å; L535-L539 WeakPolarHBondContact O-CB 3.33Å; L535-L539 WeakPolarHBondContact O-CD1 3.34Å; L535-L539 WeakPolarHBondContact O-CG 3.49Å; L535-L539 PolarHBondContact O-N 3.44Å; L539-R541 VanDerWaalsContact C-N 3.28Å; L539-R541 PolarHBondContact O-N 3.33Å; L539-K542 PolarHBondContact O-N 3.42Å; L539-K542 VanDerWaalsContact O-N 3.12Å; L539-Y543 HydrophobicContact CD2-CE2 4.15Å; L539-Y543 VanDerWaalsContact O-CD2 3.31Å; L539-Y543 WeakPolarHBondContact O-CD2 3.35Å; L539-Y543 PolarHBondContact O-N 3.33Å; L539-W564 HydrophobicContact CD2-CH2 4.12Å; L539-W564 HydrophobicContact CD2-CZ3 3.93Å
540	A	98.1	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54	-45.8	175.6	0	0	0	0	0	112	L458 L462 V478 W481 A536 L537 F538 K542 Y543 M544	L458-A540 HydrophobicContact CD2-CB 4.14Å; L462-A540 HydrophobicContact CD1-CB 4.19Å; V478-A540 HydrophobicContact CG1-CB 3.91Å; V478-A540 HydrophobicContact CG2-CB 4.09Å; W481-A540 HydrophobicContact CE3-CB 4.02Å; W481-A540 HydrophobicContact CZ3-CB 4.09Å; A536-A540 WeakPolarHBondContact O-CB 3.41Å; A536-A540 PolarHBondContact O-N 2.81Å; L537-A540 PolarHBondContact O-N 3.02Å; F538-A540 PolarHBondContact O-N 3.48Å; A540-K542 PolarHBondContact O-N 2.87Å; A540-Y543 PolarHBondContact O-N 2.84Å; A540-M544 PolarHBondContact O-N 3.47Å
541	R	96.6	Very high	96.8	Very high	125 Å²	125	32.4 Å²	32.4	47%	0.472	14%	0.144	S	C	.	.	H	α-helix	trans	-69	-30	178.4	-170.4	179.7	177.2	-161.6	1	113.9	Y494 L537 F538 L539	Y494-R541 HydrophobicContact CE2-CB 4.34Å; L537-R541 PolarHBondContact O-N 3.42Å; L537-R541 VanDerWaalsContact O-N 3.07Å; F538-R541 PolarHBondContact O-N 2.86Å; L539-R541 VanDerWaalsContact C-N 3.28Å; L539-R541 PolarHBondContact O-N 3.33Å
542	K	97.3	Very high	96.7	Very high	52 Å²	52	36.2 Å²	36.2	23%	0.226	17%	0.169	C	C	.	.	H	α-helix	trans	-77.2	-33.3	176	-63.4	-51.1	178.7	-162.1	0	112.9	D501 F538 L539 A540 W564	D501-K542 IonicContact OD2-NZ 3.54Å; D501-K542 PolarHBondContact OD2-NZ 3.27Å; F538-K542 HydrophobicContact CD1-CG 4.23Å; F538-K542 HydrophobicContact CE1-CG 3.82Å; F538-K542 HydrophobicContact CE2-CD 4.44Å; F538-K542 HydrophobicContact CE2-CG 4.44Å; F538-K542 HydrophobicContact CZ-CD 4.18Å; F538-K542 HydrophobicContact CZ-CG 3.93Å; F538-K542 WeakPolarHBondContact O-CG 3.33Å; F538-K542 PolarHBondContact O-N 2.95Å; L539-K542 PolarHBondContact O-N 3.42Å; L539-K542 VanDerWaalsContact O-N 3.12Å; A540-K542 PolarHBondContact O-N 2.87Å; K542-W564 HydrophobicContact CB-CB 4.18Å; K542-W564 HydrophobicContact CB-CD2 3.59Å; K542-W564 HydrophobicContact CB-CE3 3.55Å; K542-W564 HydrophobicContact CB-CG 3.87Å; K542-W564 HydrophobicContact CB-CZ3 4.17Å; K542-W564 HydrophobicContact CD-CD2 4.42Å; K542-W564 HydrophobicContact CD-CG 4.32Å; K542-W564 HydrophobicContact CG-CD2 3.84Å; K542-W564 HydrophobicContact CG-CE3 4.11Å; K542-W564 HydrophobicContact CG-CG 4.19Å; K542-W564 HydrophobicContact CG-CZ2 4.35Å; K542-W564 HydrophobicContact CG-CZ3 4.48Å
543	Y	98.4	Very high	96.6	Very high	10 Å²	10	36 Å²	36	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-89.5	-25.4	-177.9	-83.1	-95.8	0	0	0	113.9	V430 L432 L461 L462 R465 Y466 L539 A540 W564	V430-Y543 HydrophobicContact CB-CD1 4.17Å; V430-Y543 HydrophobicContact CB-CE1 4.24Å; L432-Y543 PolarHBondContact N-O 3.33Å; L461-Y543 HydrophobicContact CD2-CD1 3.68Å; L461-Y543 HydrophobicContact CD2-CE1 3.96Å; L462-Y543 HydrophobicContact CD2-CD2 3.84Å; L462-Y543 HydrophobicContact CD2-CE2 4.15Å; L462-Y543 HydrophobicContact CD2-CG 4.12Å; R465-Y543 WeakPolarHBondContact CD-OH 3.3Å; R465-Y543 VanDerWaalsContact NH1-CE1 3.31Å; R465-Y543 PolarHBondContact NH1-OH 2.86Å; Y466-Y543 AromaticContact CE2-CE2 3.96Å; Y466-Y543 HydrophobicContact CE2-CE2 3.96Å; Y466-Y543 PolarHBondContact OH-OH 3.42Å; L539-Y543 HydrophobicContact CD2-CE2 4.15Å; L539-Y543 VanDerWaalsContact O-CD2 3.31Å; L539-Y543 WeakPolarHBondContact O-CD2 3.35Å; L539-Y543 PolarHBondContact O-N 3.33Å; A540-Y543 PolarHBondContact O-N 2.84Å; Y543-W564 HydrophobicContact CD2-CE3 4.32Å; Y543-W564 HydrophobicContact CD2-CZ3 4.43Å; Y543-W564 AromaticContact CE2-CE3 3.94Å; Y543-W564 HydrophobicContact CE2-CE3 3.94Å; Y543-W564 AromaticContact CE2-CZ3 3.78Å; Y543-W564 HydrophobicContact CE2-CZ3 3.78Å
544	M	98.1	Very high	96.3	Very high	3 Å²	3	39 Å²	39	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.4	-178.8	-179.6	177.9	-80.1	0	0	112.1	L432 R434 G454 L458 W481 L482 A540	L432-M544 HydrophobicContact CB-CB 4.31Å; L432-M544 HydrophobicContact CB-CE 4.25Å; L432-M544 HydrophobicContact CB-CG 4.4Å; L432-M544 HydrophobicContact CD1-CE 4.12Å; L432-M544 CarbonylContact O-C 3.53Å; L432-M544 VanDerWaalsContact O-CA 3.28Å; L432-M544 WeakPolarHBondContact O-CA 3.19Å; R434-M544 HydrophobicContact CB-CE 4.1Å; R434-M544 HydrophobicContact CB-CG 4.01Å; R434-M544 HydrophobicContact CB-SD 3.77Å; R434-M544 HydrophobicContact CG-SD 4.33Å; G454-M544 WeakPolarHBondContact O-CE 3.43Å; L458-M544 HydrophobicContact CB-CE 3.56Å; L458-M544 HydrophobicContact CD1-CB 4.14Å; L458-M544 HydrophobicContact CD2-CB 3.88Å; L458-M544 HydrophobicContact CD2-CE 3.89Å; L458-M544 HydrophobicContact CD2-SD 3.88Å; L458-M544 HydrophobicContact CG-CE 4.24Å; W481-M544 HydrophobicContact CH2-CB 4.4Å; W481-M544 HydrophobicContact CH2-CG 4.45Å; W481-M544 HydrophobicContact CZ3-SD 4.23Å; L482-M544 HydrophobicContact CD2-CE 4.47Å; L482-M544 HydrophobicContact CD2-SD 3.63Å; A540-M544 PolarHBondContact O-N 3.47Å
545	R	95.7	Very high	96.3	Very high	92 Å²	92	38 Å²	38	35%	0.347	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.4	169.2	-72	-174.6	60.3	161.9	-14.5	110.7	L431 L432 V433 R434 E559 H561	L431-R545 HydrophobicContact CD1-CB 4.48Å; L431-R545 HydrophobicContact CD1-CG 4.06Å; L432-R545 PolarHBondContact O-N 3.27Å; V433-R545 CarbonylContact C-O 3.57Å; V433-R545 WeakPolarHBondContact CA-O 3.34Å; R434-R545 PolarHBondContact N-O 2.97Å; R545-E559 IonicContact CZ-OE2 3.73Å; R545-E559 IonicContact NH2-OE2 2.74Å; R545-E559 PolarHBondContact NH2-OE2 2.99Å; R545-H561 PolarHBondContact NH1-CD2 2.95Å; R545-H561 PolarHBondContact NH1-NE2 3.1Å; R545-H561 PolarHBondContact NH2-NE2 2.95Å
546	N	95.2	Very high	96.2	Very high	34 Å²	34	40.7 Å²	40.7	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.6	172.8	-71.1	-25.1	0	0	0	110.3	R434 T436 E490	R434-N546 PolarHBondContact NE-OD1 3.09Å; R434-N546 PolarHBondContact NH2-ND2 2.98Å; R434-N546 PolarHBondContact NH2-OD1 3.24Å; R434-N546 CarbonylContact O-C 3.54Å; R434-N546 WeakPolarHBondContact O-CA 3.44Å; T436-N546 HydrophobicContact CG2-CB 3.75Å; E490-N546 PolarHBondContact OE1-ND2 3.18Å; E490-N546 PolarHBondContact OE2-ND2 3.12Å
547	F	95.1	Very high	96.1	Very high	29 Å²	29	41.9 Å²	41.9	13%	0.127	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.4	171.7	177.1	-126.4	0	0	0	108.4	V433 R434 R435 T436 S549 L555 P556 E559	V433-F547 HydrophobicContact CG1-CB 3.78Å; R434-F547 PolarHBondContact O-N 2.96Å; R435-F547 WeakPolarHBondContact CA-O 3.22Å; R435-F547 HydrophobicContact CG-CD1 4.33Å; T436-F547 PolarHBondContact N-O 3.33Å; T436-F547 VanDerWaalsContact N-O 3.1Å; F547-S549 PolarHBondContact O-N 3.31Å; F547-L555 HydrophobicContact CD1-CD1 3.71Å; F547-L555 HydrophobicContact CE1-CD1 3.96Å; F547-L555 HydrophobicContact CG-CD1 4.05Å; F547-P556 HydrophobicContact CE2-CG 4.24Å; F547-P556 VanDerWaalsContact CZ-CD 3.43Å; F547-P556 HydrophobicContact CZ-CG 3.99Å; F547-E559 HydrophobicContact CD2-CG 3.99Å; F547-E559 HydrophobicContact CE2-CG 4.11Å
548	E	93.9	Very high	95.9	Very high	124 Å²	124	45.4 Å²	45.4	58%	0.579	25%	0.252	S	S	*	.			trans	-77	89.5	-176.3	-171.1	177.7	-165.8	0	0	110.9	T436 R437	T436-E548 WeakPolarHBondContact OG1-CA 3.39Å; R437-E548 IonicContact CZ-OE1 2.97Å; R437-E548 IonicContact NE-OE1 3.77Å; R437-E548 PolarHBondContact NE-OE1 2.86Å; R437-E548 IonicContact NH2-OE1 3.66Å; R437-E548 PolarHBondContact NH2-OE1 2.93Å
549	S	94.7	Very high	95.8	Very high	14 Å²	14	48 Å²	48	10%	0.098	26%	0.264	C	S	.	.	S	Bend	trans	-162.2	165.3	-177.8	-152.9	0	0	0	0	113	R437 F547 T553	R437-S549 CarbonylContact C-O 3.6Å; R437-S549 WeakPolarHBondContact CB-O 3.29Å; R437-S549 PolarHBondContact N-O 2.94Å; F547-S549 PolarHBondContact O-N 3.31Å; S549-T553 WeakPolarHBondContact OG-CB 3.3Å; S549-T553 VanDerWaalsContact OG-CG2 3.28Å; S549-T553 WeakPolarHBondContact OG-CG2 3.48Å; S549-T553 PolarHBondContact OG-OG1 3.47Å
550	T	94.9	Very high	95.6	Very high	60 Å²	60	48.6 Å²	48.6	37%	0.368	27%	0.266	S	S	.	.			trans	-80.9	169.1	168.7	59	0	0	0	0	111.1	R435 R437 C552 T553	R435-T550 WeakPolarHBondContact CD-O 3.21Å; R435-T550 PolarHBondContact NH1-O 3.26Å; R437-T550 HydrophobicContact CB-CG2 4.5Å; T550-C552 PolarHBondContact O-N 3.33Å; T550-T553 PolarHBondContact O-N 3.22Å; T550-T553 PolarHBondContact OG1-OG1 3.45Å; T550-T553 VanDerWaalsContact OG1-OG1 3.06Å
551	H	95.1	Very high	95.4	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.019	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-42.9	-170.7	-166.7	76.1	0	0	0	114.2	W362 S363 A386 D438 E439 I440	W362-H551 AromaticContact CZ2-CD2 3.77Å; W362-H551 AromaticContact CZ2-NE2 3.98Å; W362-H551 AromaticContact NE1-NE2 4Å; W362-H551 PolarHBondContact NE1-O 2.95Å; S363-H551 VanDerWaalsContact CB-NE2 3.29Å; S363-H551 WeakPolarHBondContact CB-NE2 3.38Å; S363-H551 PolarHBondContact OG-CE1 3.4Å; S363-H551 PolarHBondContact OG-NE2 2.94Å; A386-H551 PolarHBondContact O-CE1 3.28Å; D438-H551 VanDerWaalsContact CG-ND1 3.25Å; D438-H551 IonicContact OD1-CG 2.79Å; D438-H551 IonicContact OD1-ND1 3.45Å; D438-H551 PolarHBondContact OD1-ND1 3.01Å; D438-H551 IonicContact OD2-CE1 2.94Å; D438-H551 IonicContact OD2-CG 3.43Å; D438-H551 IonicContact OD2-ND1 2.73Å; D438-H551 PolarHBondContact OD2-ND1 3.47Å; E439-H551 WeakPolarHBondContact OE2-CB 3.49Å; E439-H551 PolarHBondContact OE2-N 2.95Å; I440-H551 HydrophobicContact CB-CB 3.98Å; I440-H551 HydrophobicContact CG1-CB 3.56Å
552	C	92.9	Very high	95.3	Very high	85 Å²	85	49.7 Å²	49.7	57%	0.574	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	2.7	-170.7	-64.6	0	0	0	0	114.8	T550	T550-C552 PolarHBondContact O-N 3.33Å
553	T	94.5	Very high	95.2	Very high	55 Å²	55	47.6 Å²	47.6	34%	0.337	28%	0.278	S	S	.	.	S	Bend	trans	-75.3	127.5	177.8	-60.9	0	0	0	0	109.6	R435 S549 T550 L555	R435-T553 PolarHBondContact NH1-O 3.23Å; R435-T553 PolarHBondContact NH2-O 3.46Å; S549-T553 WeakPolarHBondContact OG-CB 3.3Å; S549-T553 VanDerWaalsContact OG-CG2 3.28Å; S549-T553 WeakPolarHBondContact OG-CG2 3.48Å; S549-T553 PolarHBondContact OG-OG1 3.47Å; T550-T553 PolarHBondContact O-N 3.22Å; T550-T553 PolarHBondContact OG1-OG1 3.45Å; T550-T553 VanDerWaalsContact OG1-OG1 3.06Å; T553-L555 PolarHBondContact O-N 3.39Å
554	P	93.2	Very high	95.1	Very high	106 Å²	106	49.7 Å²	49.7	69%	0.688	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-56.4	138.5	178	-26.5	35.4	0	0	0	112.3	P556	P554-P556 WeakPolarHBondContact O-CD 2.97Å
555	L	96.5	Very high	94.7	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-71	123.9	174.2	-171.7	69	0	0	0	108.9	T307 Y360 D385 V433 F547 T553 E559	T307-L555 WeakPolarHBondContact CB-O 3.32Å; T307-L555 HydrophobicContact CG2-CB 4.19Å; T307-L555 HydrophobicContact CG2-CD2 4.38Å; T307-L555 HydrophobicContact CG2-CG 4.36Å; T307-L555 WeakPolarHBondContact CG2-O 3.46Å; T307-L555 PolarHBondContact OG1-O 2.98Å; Y360-L555 HydrophobicContact CE2-CD2 4.27Å; Y360-L555 WeakPolarHBondContact OH-CB 3.5Å; Y360-L555 WeakPolarHBondContact OH-CD2 3.48Å; D385-L555 HydrophobicContact CB-CD2 4.37Å; V433-L555 HydrophobicContact CG1-CD1 4.04Å; F547-L555 HydrophobicContact CD1-CD1 3.71Å; F547-L555 HydrophobicContact CE1-CD1 3.96Å; F547-L555 HydrophobicContact CG-CD1 4.05Å; T553-L555 PolarHBondContact O-N 3.39Å; L555-E559 HydrophobicContact CD1-CB 3.69Å; L555-E559 HydrophobicContact CD1-CG 4.44Å; L555-E559 HydrophobicContact CG-CB 4.03Å
556	P	96.5	Very high	94.2	Very high	56 Å²	56	54.6 Å²	54.6	36%	0.364	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-64	147.3	176.6	-21.7	33.7	0	0	0	111.5	F547 P554 A558 E559 F560	F547-P556 HydrophobicContact CE2-CG 4.24Å; F547-P556 VanDerWaalsContact CZ-CD 3.43Å; F547-P556 HydrophobicContact CZ-CG 3.99Å; P554-P556 WeakPolarHBondContact O-CD 2.97Å; P556-A558 PolarHBondContact O-N 3.43Å; P556-A558 VanDerWaalsContact O-N 3.11Å; P556-E559 PolarHBondContact O-N 3.23Å; P556-F560 PolarHBondContact O-N 3.31Å
557	A	95.6	Very high	94.1	Very high	25 Å²	25	55.7 Å²	55.7	21%	0.207	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-55	-31.8	175.7	0	0	0	0	0	113.1	T307 E310 E559 F560	T307-A557 WeakPolarHBondContact O-CB 3.35Å; E310-A557 HydrophobicContact CB-CB 3.73Å; A557-E559 PolarHBondContact O-N 3.46Å; A557-F560 PolarHBondContact O-N 3.47Å; A557-F560 VanDerWaalsContact O-N 3.15Å
558	A	95.4	Very high	94.1	Very high	75 Å²	75	57.1 Å²	57.1	62%	0.62	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23.9	177	0	0	0	0	0	113.8	P556 H561	P556-A558 PolarHBondContact O-N 3.43Å; P556-A558 VanDerWaalsContact O-N 3.11Å; A558-H561 PolarHBondContact O-CE1 3.42Å; A558-H561 PolarHBondContact O-NE2 3.35Å
559	E	95.3	Very high	94.1	Very high	53 Å²	53	53.3 Å²	53.3	25%	0.248	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-94	-5	176.8	-64.3	-60.5	152.1	0	0	112.6	R545 F547 L555 P556 A557 H561	R545-E559 IonicContact CZ-OE2 3.73Å; R545-E559 IonicContact NH2-OE2 2.74Å; R545-E559 PolarHBondContact NH2-OE2 2.99Å; F547-E559 HydrophobicContact CD2-CG 3.99Å; F547-E559 HydrophobicContact CE2-CG 4.11Å; L555-E559 HydrophobicContact CD1-CB 3.69Å; L555-E559 HydrophobicContact CD1-CG 4.44Å; L555-E559 HydrophobicContact CG-CB 4.03Å; P556-E559 PolarHBondContact O-N 3.23Å; A557-E559 PolarHBondContact O-N 3.46Å; E559-H561 VanDerWaalsContact C-CD2 3.43Å; E559-H561 PolarHBondContact O-CD2 3.07Å; E559-H561 PolarHBondContact O-N 3.38Å
560	F	95.7	Very high	94.1	Very high	13 Å²	13	55.6 Å²	55.6	6%	0.057	32%	0.323	C	S	.	.			trans	-83.4	95.2	174.4	-174.5	-99	0	0	0	110.3	V290 T307 P308 Y313 V358 Y360 V383 P556 A557	V290-F560 HydrophobicContact CG1-CE2 4.47Å; V290-F560 HydrophobicContact CG1-CZ 3.9Å; V290-F560 HydrophobicContact CG2-CE1 4.06Å; V290-F560 HydrophobicContact CG2-CZ 3.95Å; T307-F560 HydrophobicContact CG2-CB 3.78Å; T307-F560 HydrophobicContact CG2-CD2 4.38Å; T307-F560 HydrophobicContact CG2-CG 4.29Å; P308-F560 HydrophobicContact CB-CD1 4.39Å; P308-F560 HydrophobicContact CB-CE1 4.09Å; P308-F560 HydrophobicContact CB-CZ 4.25Å; Y313-F560 HydrophobicContact CD2-CD1 4.31Å; Y313-F560 HydrophobicContact CD2-CE1 4.13Å; Y313-F560 HydrophobicContact CE1-CE1 4.46Å; Y313-F560 AromaticContact CE2-CD1 3.79Å; Y313-F560 HydrophobicContact CE2-CD1 3.79Å; Y313-F560 AromaticContact CE2-CE1 3.78Å; Y313-F560 HydrophobicContact CE2-CE1 3.78Å; Y313-F560 AromaticContact CZ-CE1 3.97Å; V358-F560 HydrophobicContact CG1-CZ 4.29Å; Y360-F560 HydrophobicContact CD1-CD2 4.48Å; Y360-F560 HydrophobicContact CD1-CE2 4.12Å; Y360-F560 HydrophobicContact CD2-CD2 4.28Å; Y360-F560 AromaticContact CD2-CE2 3.86Å; Y360-F560 HydrophobicContact CD2-CE2 3.86Å; Y360-F560 HydrophobicContact CE2-CD2 4.44Å; Y360-F560 HydrophobicContact CE2-CE2 4.46Å; Y360-F560 HydrophobicContact CG-CD2 4.33Å; Y360-F560 AromaticContact CG-CE2 3.69Å; Y360-F560 HydrophobicContact CG-CE2 3.69Å; V383-F560 HydrophobicContact CB-CE2 4.19Å; V383-F560 HydrophobicContact CG1-CD2 4.45Å; V383-F560 HydrophobicContact CG1-CE2 4.28Å; V383-F560 HydrophobicContact CG2-CE2 4.07Å; V383-F560 HydrophobicContact CG2-CZ 4.44Å; P556-F560 PolarHBondContact O-N 3.31Å; A557-F560 PolarHBondContact O-N 3.47Å; A557-F560 VanDerWaalsContact O-N 3.15Å
561	H	93.6	Very high	94	Very high	62 Å²	62	55.4 Å²	55.4	29%	0.287	32%	0.32	S	S	.	.			trans	-107.3	149.1	-177.1	-61.3	-75.2	0	0	0	112.5	L431 R545 A558 E559	L431-H561 HydrophobicContact CD2-CB 4.09Å; L431-H561 WeakPolarHBondContact CD2-O 3.49Å; R545-H561 PolarHBondContact NH1-CD2 2.95Å; R545-H561 PolarHBondContact NH1-NE2 3.1Å; R545-H561 PolarHBondContact NH2-NE2 2.95Å; A558-H561 PolarHBondContact O-CE1 3.42Å; A558-H561 PolarHBondContact O-NE2 3.35Å; E559-H561 VanDerWaalsContact C-CD2 3.43Å; E559-H561 PolarHBondContact O-CD2 3.07Å; E559-H561 PolarHBondContact O-N 3.38Å
562	S	93.1	Very high	94	Very high	87 Å²	87	58.8 Å²	58.8	61%	0.608	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-60.7	131.7	165.5	-68.5	0	0	0	0	109.8
563	P	96.3	Very high	94	Very high	7 Å²	7	56.9 Å²	56.9	5%	0.045	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-59.4	147.9	175.9	-30.1	40.3	0	0	0	113.2	S381 V382 V383 P429 L431	S381-P563 WeakPolarHBondContact OG-CD 3.48Å; V382-P563 WeakPolarHBondContact O-CG 3.45Å; V383-P563 HydrophobicContact CG2-CG 3.8Å; P429-P563 HydrophobicContact CB-CB 3.68Å; L431-P563 HydrophobicContact CB-CB 3.9Å; L431-P563 HydrophobicContact CB-CG 3.68Å
564	W	95.3	Very high	94	Very high	55 Å²	55	57.1 Å²	57.1	21%	0.208	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-61.3	137.4	-177.7	174.2	64	0	0	0	112.1	L505 L508 F538 L539 K542 Y543 L566	L505-W564 HydrophobicContact CD2-CZ2 4.17Å; L508-W564 HydrophobicContact CD1-CH2 4Å; F538-W564 HydrophobicContact CE1-CH2 4.17Å; F538-W564 HydrophobicContact CE1-CZ2 4.05Å; F538-W564 HydrophobicContact CZ-CZ2 4.42Å; L539-W564 HydrophobicContact CD2-CH2 4.12Å; L539-W564 HydrophobicContact CD2-CZ3 3.93Å; K542-W564 HydrophobicContact CB-CB 4.18Å; K542-W564 HydrophobicContact CB-CD2 3.59Å; K542-W564 HydrophobicContact CB-CE3 3.55Å; K542-W564 HydrophobicContact CB-CG 3.87Å; K542-W564 HydrophobicContact CB-CZ3 4.17Å; K542-W564 HydrophobicContact CD-CD2 4.42Å; K542-W564 HydrophobicContact CD-CG 4.32Å; K542-W564 HydrophobicContact CG-CD2 3.84Å; K542-W564 HydrophobicContact CG-CE3 4.11Å; K542-W564 HydrophobicContact CG-CG 4.19Å; K542-W564 HydrophobicContact CG-CZ2 4.35Å; K542-W564 HydrophobicContact CG-CZ3 4.48Å; Y543-W564 HydrophobicContact CD2-CE3 4.32Å; Y543-W564 HydrophobicContact CD2-CZ3 4.43Å; Y543-W564 AromaticContact CE2-CE3 3.94Å; Y543-W564 HydrophobicContact CE2-CE3 3.94Å; Y543-W564 AromaticContact CE2-CZ3 3.78Å; Y543-W564 HydrophobicContact CE2-CZ3 3.78Å; W564-L566 HydrophobicContact CH2-CB 4.23Å; W564-L566 HydrophobicContact CH2-CD1 3.95Å; W564-L566 HydrophobicContact CZ2-CB 4.09Å; W564-L566 HydrophobicContact CZ2-CD1 3.61Å; W564-L566 HydrophobicContact CZ2-CG 4.47Å
565	R	89.5	Confident	94.1	Very high	143 Å²	143	53 Å²	53	54%	0.54	29%	0.291	S	S	.	.			trans	-124.6	134.9	173.1	-67	179.3	178.1	-155.7	-14.1	107.9	Q380 P429	Q380-R565 PolarHBondContact O-NH2 3.18Å; P429-R565 HydrophobicContact CB-CG 4.14Å; P429-R565 HydrophobicContact CG-CG 3.56Å
566	L	86	Confident	93.8	Very high	55 Å²	55	57.4 Å²	57.4	29%	0.288	32%	0.316	S	S	.	.			trans	-70.4	0	178.2	-177.1	67.1	0	0	0	111.9	L505 L508 K509 Q512 W521 W564	L505-L566 HydrophobicContact CD2-CD1 4.11Å; L508-L566 HydrophobicContact CB-CD1 3.6Å; L508-L566 HydrophobicContact CB-CD2 3.72Å; L508-L566 HydrophobicContact CB-CG 4.32Å; L508-L566 HydrophobicContact CD1-CD1 4.32Å; K509-L566 WeakPolarHBondContact CE-OXT 3.36Å; K509-L566 HydrophobicContact CG-CD1 3.96Å; K509-L566 HydrophobicContact CG-CG 4.03Å; Q512-L566 HydrophobicContact CB-CD2 4.1Å; W521-L566 HydrophobicContact CH2-CD2 3.62Å; W521-L566 HydrophobicContact CZ3-CD2 3.88Å; W564-L566 HydrophobicContact CH2-CB 4.23Å; W564-L566 HydrophobicContact CH2-CD1 3.95Å; W564-L566 HydrophobicContact CZ2-CB 4.09Å; W564-L566 HydrophobicContact CZ2-CD1 3.61Å; W564-L566 HydrophobicContact CZ2-CG 4.47Å

Retrieved 566 of 566 residues in 304.9 ms (Link to these results)

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