A0A061HWD9_CRIGR Loading...

Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes.

AlphaFold DB , UniProt , Accession A0A061HWD9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 896 aa.

						>A0A061HWD9_CRIGR|A0A061HWD9
MAPIKIQGLVQIRSKNRNRHTRASQWKEAVIEIVERKQKVTMVFSFKLEKRKRVFQLGNNVAGVVVSCCEMGLHCLYLTLKGDTSLLIDKLSSADIEQLKAFLDLAHLSDTQDPDDPMRKQEFLEGGHPFCKKHPEPVCGSSETAQEREAPLPGKMPLSLAKSTSRYAKKDKAEKEIKKRKRMAAPSVDVEEEILTEFSPEPQKKYKICNPRSKRGKGEKPMASREQEKPTNWKLETSLMASARRKTNLDDTTVLSTQTLAEERSGPKFNQEPPVCAEIQLPLDTYAKQLNREGFPNLGNTCYMNSILQSVFGIPTFAKDLLTQGIPWDKVSCDDLIKPLSQLLVLKDIRDVEIKGQLLMTVKKTISTVADTFLGDEQNDAHEFLSQCLEQLKLNMEKLNAMCCSERENEAASSRRFICPVAANFEIELHSSIVCEGCGEATLNTEVSNYLSVDLPQGTKDHPLSIQKSLDLFFTPEKIEHNCENCKNKNSVLRYTWRRLPRVLIVHLKRYHFTANRMLVKSQQPVEISKYLTVASHCNENTKQPFPVTTRNSNGDFDVPGVEGTMHEIFGHSIPSIQPTSVSIDFTVLQVGSNEDAEMQNFQIMCDDQQQLGLEGVSGIDPDLLKTEKWMLCENTSPSWDSIICEPISIQDLGLREKGLQKLPENPDSKNYKKINVYGNPNHHTIIEICNNFCDLKEQKFLEDTQEIGKQLLQQHGKRIQKELLPWALPQSVRGTQEDMGKNMNRYSEMVDPKIDADFLSALGYTESPRVAGMDHSDAANEAMAEDPQNYRLVGVVSHFGSSQDSGHYVSDVYDFQRRAWLLYSDVQVFEIPEALIQENRLHTGYIFFYMQNEIFEWLLKKASECRLLSTPKDEKRTMDLFSTLLNGFTYLLEES
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	55.4	Low	80.2	Confident	139 Å²	139	60.5 Å²	60.5	69%	0.685	33%	0.334	S	S	*	.				0	178.8	0	-64.7	162.8	86.4	0	0	109.2	F102 L105	M1-F102 HydrophobicContact CB-CE2 4.29Å; M1-F102 HydrophobicContact CE-CD2 3.74Å; M1-F102 HydrophobicContact CE-CE2 4.21Å; M1-F102 HydrophobicContact CG-CE2 4.49Å; M1-F102 HydrophobicContact SD-CD2 3.64Å; M1-F102 HydrophobicContact SD-CE2 3.45Å; M1-F102 WeakPolarHBondContact SD-CE2 3.27Å; M1-F102 HydrophobicContact SD-CZ 4.41Å; M1-L105 HydrophobicContact CE-CD2 3.58Å; M1-L105 HydrophobicContact SD-CD2 3.79Å
2	A	54.3	Low	80.9	Confident	82 Å²	82	57.9 Å²	57.9	68%	0.678	32%	0.319	S	S	*	.			trans	-66	144.6	170.8	0	0	0	0	0	110.7	I4	A2-I4 PolarHBondContact O-N 3.48Å
3	P	68.1	Low	81.3	Confident	113 Å²	113	60.3 Å²	60.3	73%	0.734	32%	0.32	S	S	*	.			trans	-75.6	104.6	-179.8	29.8	-33.4	0	0	0	110.9	K5	P3-K5 PolarHBondContact O-N 3.43Å
4	I	81.3	Confident	81.3	Confident	17 Å²	17	59.6 Å²	59.6	9%	0.087	32%	0.322	C	S	.	.			trans	-67.9	127.1	177.4	-64.5	170.5	0	0	0	109.4	A2 I6 E32 I33 Q98 F102	A2-I4 PolarHBondContact O-N 3.48Å; I4-I6 HydrophobicContact CG2-CG2 3.8Å; I4-E32 WeakPolarHBondContact O-CA 3.39Å; I4-I33 HydrophobicContact CB-CB 4.25Å; I4-I33 HydrophobicContact CB-CD1 4.39Å; I4-I33 HydrophobicContact CB-CG1 4.5Å; I4-I33 HydrophobicContact CD1-CD1 4.28Å; I4-I33 PolarHBondContact O-N 3.43Å; I4-Q98 HydrophobicContact CD1-CB 4.44Å; I4-Q98 WeakPolarHBondContact CD1-O 3.11Å; I4-F102 HydrophobicContact CD1-CB 3.51Å; I4-F102 HydrophobicContact CD1-CD2 3.82Å; I4-F102 HydrophobicContact CD1-CG 3.79Å
5	K	87.9	Confident	80.5	Confident	136 Å²	136	62.3 Å²	62.3	59%	0.591	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.2	104	179	177	165.1	178.5	149.2	0	110.5	P3 V30 I31 E32	P3-K5 PolarHBondContact O-N 3.43Å; K5-V30 HydrophobicContact CG-CG1 4.09Å; K5-I31 WeakPolarHBondContact CA-O 3.43Å; K5-E32 HydrophobicContact CD-CG 4.19Å; K5-E32 WeakPolarHBondContact CE-OE1 3.3Å; K5-E32 HydrophobicContact CG-CG 4.14Å; K5-E32 IonicContact NZ-OE1 3.9Å; K5-E32 PolarHBondContact NZ-OE1 2.61Å
6	I	90.6	Very high	79.2	Confident	7 Å²	7	65.4 Å²	65.4	4%	0.036	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	168.1	-170.9	66.8	-175.8	0	0	0	110.4	I4 V30 I31 L91 D95 L99	I4-I6 HydrophobicContact CG2-CG2 3.8Å; I6-V30 WeakPolarHBondContact O-CA 3.43Å; I6-I31 HydrophobicContact CD1-CB 4.37Å; I6-I31 HydrophobicContact CD1-CD1 4.35Å; I6-I31 HydrophobicContact CG1-CB 3.78Å; I6-I31 HydrophobicContact CG1-CD1 4.24Å; I6-I31 HydrophobicContact CG1-CG1 4.33Å; I6-I31 PolarHBondContact N-O 2.97Å; I6-I31 PolarHBondContact O-N 3.44Å; I6-L91 HydrophobicContact CD1-CD2 3.82Å; I6-L91 HydrophobicContact CG1-CD2 4.32Å; I6-D95 HydrophobicContact CB-CB 4.18Å; I6-D95 HydrophobicContact CG2-CB 3.91Å; I6-D95 WeakPolarHBondContact CG2-OD1 3.32Å; I6-L99 HydrophobicContact CD1-CB 4.27Å; I6-L99 HydrophobicContact CD1-CD1 4.45Å; I6-L99 HydrophobicContact CD1-CD2 3.78Å; I6-L99 HydrophobicContact CD1-CG 4.39Å
7	Q	88.4	Confident	77.8	Confident	110 Å²	110	75.6 Å²	75.6	51%	0.514	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.1	172.3	-63	-169.7	57.2	0	0	110	V30 L91	Q7-V30 HydrophobicContact CG-CG2 4.36Å; Q7-L91 WeakPolarHBondContact O-CD2 3.49Å
8	G	87.5	Confident	76.5	Confident	7 Å²	7	78.2 Å²	78.2	7%	0.072	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	166.5	176.8	0	0	0	0	0	112.8	A29 D89	G8-A29 PolarHBondContact N-O 3.04Å; G8-A29 VanDerWaalsContact N-O 3.09Å; G8-A29 PolarHBondContact O-N 2.94Å; G8-D89 CarbonylContact C-O 3.59Å; G8-D89 WeakPolarHBondContact CA-O 3.48Å
9	L	88.7	Confident	75.3	Confident	37 Å²	37	85.9 Å²	85.9	19%	0.194	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.9	173.7	-173.8	70.4	0	0	0	108.7	W26 E28 D89 K90	L9-W26 HydrophobicContact CD1-CB 4.1Å; L9-W26 HydrophobicContact CD2-CB 4.14Å; L9-W26 HydrophobicContact CD2-CD2 4.39Å; L9-W26 HydrophobicContact CD2-CE3 4.28Å; L9-W26 HydrophobicContact CD2-CG 4.38Å; L9-W26 HydrophobicContact CG-CB 3.99Å; L9-W26 HydrophobicContact CG-CD2 4.41Å; L9-W26 HydrophobicContact CG-CE3 3.96Å; L9-W26 HydrophobicContact CG-CG 4.49Å; L9-W26 WeakPolarHBondContact O-CZ3 3.41Å; L9-E28 HydrophobicContact CD1-CG 4.07Å; L9-D89 HydrophobicContact CB-CB 4.32Å; L9-D89 PolarHBondContact N-O 3.12Å; L9-D89 PolarHBondContact O-N 2.84Å; L9-K90 HydrophobicContact CB-CD 4.48Å; L9-K90 HydrophobicContact CB-CG 4.31Å
10	V	89.6	Confident	74.4	Confident	0 Å²	0	88.9 Å²	88.9	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.2	-166	179.5	0	0	0	0	112.4	I12 W26 K27 A29 I31 F44 F46 L87 I88	V10-I12 HydrophobicContact CG1-CG1 4.42Å; V10-W26 WeakPolarHBondContact O-CA 3.05Å; V10-K27 PolarHBondContact N-O 3.09Å; V10-K27 PolarHBondContact O-N 3.44Å; V10-A29 HydrophobicContact CB-CB 4.41Å; V10-A29 HydrophobicContact CG2-CB 3.94Å; V10-I31 HydrophobicContact CG2-CD1 3.87Å; V10-I31 HydrophobicContact CG2-CG1 4.4Å; V10-F44 HydrophobicContact CB-CD1 4.31Å; V10-F44 HydrophobicContact CB-CE1 4.33Å; V10-F44 HydrophobicContact CG1-CD1 3.8Å; V10-F44 HydrophobicContact CG1-CE1 3.63Å; V10-F44 HydrophobicContact CG1-CZ 4.39Å; V10-F44 HydrophobicContact CG2-CD1 3.85Å; V10-F44 HydrophobicContact CG2-CE1 3.76Å; V10-F46 HydrophobicContact CB-CE1 4.12Å; V10-F46 HydrophobicContact CG1-CE1 4.41Å; V10-F46 HydrophobicContact CG1-CZ 4.42Å; V10-L87 WeakPolarHBondContact CA-O 3.42Å; V10-I88 HydrophobicContact CG2-CG1 4.29Å; V10-I88 HydrophobicContact CG2-CG2 4.2Å
11	Q	91.1	Very high	73.9	Confident	17 Å²	17	88.6 Å²	88.6	8%	0.079	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.7	167.8	170.1	173.2	96.2	0	0	110.2	R13 A23 S24 W26 L87	Q11-R13 HydrophobicContact CG-CG 4.25Å; Q11-R13 VanDerWaalsContact OE1-CZ 3.26Å; Q11-A23 HydrophobicContact CG-CB 4.36Å; Q11-S24 WeakPolarHBondContact CG-O 3.5Å; Q11-S24 PolarHBondContact NE2-O 3.1Å; Q11-W26 HydrophobicContact CB-CD2 3.65Å; Q11-W26 HydrophobicContact CB-CE3 3.47Å; Q11-W26 VanDerWaalsContact CB-CE3 3.47Å; Q11-W26 HydrophobicContact CB-CG 4.35Å; Q11-W26 HydrophobicContact CB-CH2 4.09Å; Q11-W26 HydrophobicContact CB-CZ2 4.22Å; Q11-W26 HydrophobicContact CB-CZ3 3.71Å; Q11-L87 HydrophobicContact CB-CB 4.36Å; Q11-L87 HydrophobicContact CB-CD1 4.43Å; Q11-L87 HydrophobicContact CG-CD1 4.21Å; Q11-L87 PolarHBondContact N-O 3.31Å; Q11-L87 PolarHBondContact O-N 2.65Å
12	I	88.2	Confident	74.6	Confident	30 Å²	30	92 Å²	92	15%	0.154	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.3	175.5	-57.8	167.5	0	0	0	107.9	V10 A23 S24 F46 R53 F55 T84 L86	V10-I12 HydrophobicContact CG1-CG1 4.42Å; I12-A23 CarbonylContact O-C 3.56Å; I12-S24 PolarHBondContact N-OG 3.08Å; I12-S24 PolarHBondContact O-N 2.6Å; I12-F46 HydrophobicContact CD1-CZ 4.11Å; I12-R53 HydrophobicContact CD1-CG 4.13Å; I12-F55 HydrophobicContact CD1-CE2 4.34Å; I12-F55 HydrophobicContact CD1-CZ 4.07Å; I12-F55 HydrophobicContact CG1-CZ 4.43Å; I12-F55 HydrophobicContact CG2-CZ 4.24Å; I12-T84 HydrophobicContact CG2-CG2 4.37Å; I12-L86 HydrophobicContact CB-CD2 4.23Å; I12-L86 HydrophobicContact CG1-CD2 3.8Å; I12-L86 HydrophobicContact CG2-CD2 3.97Å
13	R	85.8	Confident	75.9	Confident	89 Å²	89	90.5 Å²	90.5	34%	0.336	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.1	171.8	-61.1	-172.3	-176.2	171.7	5.6	109.5	Q11 T21 R22 A23 T84 S85 L87	Q11-R13 HydrophobicContact CG-CG 4.25Å; Q11-R13 VanDerWaalsContact OE1-CZ 3.26Å; R13-T21 HydrophobicContact CB-CG2 4.04Å; R13-R22 WeakPolarHBondContact CA-O 3.37Å; R13-A23 HydrophobicContact CG-CB 3.96Å; R13-T84 CarbonylContact O-C 3.47Å; R13-T84 WeakPolarHBondContact O-CA 3.24Å; R13-T84 WeakPolarHBondContact O-CG2 3.24Å; R13-S85 PolarHBondContact N-O 3.06Å; R13-S85 PolarHBondContact O-N 3.29Å; R13-S85 VanDerWaalsContact O-O 3.09Å; R13-L87 HydrophobicContact CG-CD1 3.69Å; R13-L87 VanDerWaalsContact NE-CD1 3.35Å
14	S	80.9	Confident	76.6	Confident	50 Å²	50	87 Å²	87	35%	0.35	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.4	176.1	-177.2	0	0	0	0	110	R22	S14-R22 PolarHBondContact N-O 2.83Å; S14-R22 PolarHBondContact O-N 3.46Å
15	K	69.6	Low	76.7	Confident	100 Å²	100	93.4 Å²	93.4	44%	0.435	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132	171.6	-56.4	-168.9	-154	132	0	109.2	D83	K15-D83 HydrophobicContact CB-CB 4.36Å; K15-D83 VanDerWaalsContact CD-OD1 3.28Å; K15-D83 WeakPolarHBondContact CD-OD1 3.46Å; K15-D83 WeakPolarHBondContact CE-OD1 3.42Å; K15-D83 PolarHBondContact N-O 3.48Å; K15-D83 IonicContact NZ-OD1 3.55Å; K15-D83 PolarHBondContact NZ-OD1 3.14Å
16	N	59.9	Low	76.6	Confident	112 Å²	112	92 Å²	92	60%	0.599	43%	0.427	S	S	*	.			trans	-87.5	165.8	169.2	-161.7	0.9	0	0	0	110	N18 R19 H20	N16-N18 PolarHBondContact O-N 3.41Å; N16-R19 WeakPolarHBondContact O-CA 3.08Å; N16-R19 PolarHBondContact O-N 3.3Å; N16-H20 PolarHBondContact N-O 3.14Å
17	R	54.8	Low	76.5	Confident	240 Å²	240	95.2 Å²	95.2	91%	0.906	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-26.1	-178	-70.5	-175.5	173.5	-175.7	-2.7	114.3	R19	R17-R19 PolarHBondContact O-N 2.88Å
18	N	54.9	Low	76.5	Confident	122 Å²	122	95 Å²	95	65%	0.652	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	21.8	175.8	-60	22	0	0	0	113.3	N16 H20	N16-N18 PolarHBondContact O-N 3.41Å; N18-H20 PolarHBondContact O-CD2 3.02Å; N18-H20 PolarHBondContact O-N 2.89Å
19	R	54.8	Low	76.7	Confident	224 Å²	224	94.7 Å²	94.7	85%	0.845	44%	0.436	S	S	*	.	S	Bend	trans	60.1	-10.4	-179.7	-61.9	-176.9	176.7	-178.3	-1	117.6	N16 R17 T21	N16-R19 WeakPolarHBondContact O-CA 3.08Å; N16-R19 PolarHBondContact O-N 3.3Å; R17-R19 PolarHBondContact O-N 2.88Å; R19-T21 PolarHBondContact O-N 3.27Å
20	H	55.7	Low	76.8	Confident	146 Å²	146	94.4 Å²	94.4	68%	0.676	44%	0.436	S	S	*	.			trans	-60.6	129.7	171	-59.4	-68.8	0	0	0	111.3	N16 N18	N16-H20 PolarHBondContact N-O 3.14Å; N18-H20 PolarHBondContact O-CD2 3.02Å; N18-H20 PolarHBondContact O-N 2.89Å
21	T	64	Low	76.9	Confident	83 Å²	83	94.5 Å²	94.5	51%	0.509	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118	176.1	-58.6	0	0	0	0	109.7	R13 R19	R13-T21 HydrophobicContact CB-CG2 4.04Å; R19-T21 PolarHBondContact O-N 3.27Å
22	R	69.9	Low	76.9	Confident	210 Å²	210	95.5 Å²	95.5	79%	0.792	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.5	174.5	-170.7	178	-173.6	175.2	4.6	109.7	R13 S14	R13-R22 WeakPolarHBondContact CA-O 3.37Å; S14-R22 PolarHBondContact N-O 2.83Å; S14-R22 PolarHBondContact O-N 3.46Å
23	A	82.1	Confident	76.9	Confident	50 Å²	50	94.5 Å²	94.5	41%	0.413	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	147.4	170	0	0	0	0	0	111.3	Q11 I12 R13	Q11-A23 HydrophobicContact CG-CB 4.36Å; I12-A23 CarbonylContact O-C 3.56Å; R13-A23 HydrophobicContact CG-CB 3.96Å
24	S	83.9	Confident	76.8	Confident	41 Å²	41	92.1 Å²	92.1	29%	0.287	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-78.7	161.7	161.8	74.1	0	0	0	0	110.9	Q11 I12	Q11-S24 WeakPolarHBondContact CG-O 3.5Å; Q11-S24 PolarHBondContact NE2-O 3.1Å; I12-S24 PolarHBondContact N-OG 3.08Å; I12-S24 PolarHBondContact O-N 2.6Å
25	Q	81.9	Confident	76.8	Confident	151 Å²	151	95.2 Å²	95.2	71%	0.706	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-57.9	150.4	155.7	-70.7	166.8	-33.3	0	0	109.7
26	W	86.3	Confident	76.8	Confident	107 Å²	107	99.5 Å²	99.5	41%	0.405	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-64.6	134.3	168.2	-70.3	108.7	0	0	0	110.3	L9 V10 Q11 L87 D89	L9-W26 HydrophobicContact CD1-CB 4.1Å; L9-W26 HydrophobicContact CD2-CB 4.14Å; L9-W26 HydrophobicContact CD2-CD2 4.39Å; L9-W26 HydrophobicContact CD2-CE3 4.28Å; L9-W26 HydrophobicContact CD2-CG 4.38Å; L9-W26 HydrophobicContact CG-CB 3.99Å; L9-W26 HydrophobicContact CG-CD2 4.41Å; L9-W26 HydrophobicContact CG-CE3 3.96Å; L9-W26 HydrophobicContact CG-CG 4.49Å; L9-W26 WeakPolarHBondContact O-CZ3 3.41Å; V10-W26 WeakPolarHBondContact O-CA 3.05Å; Q11-W26 HydrophobicContact CB-CD2 3.65Å; Q11-W26 HydrophobicContact CB-CE3 3.47Å; Q11-W26 VanDerWaalsContact CB-CE3 3.47Å; Q11-W26 HydrophobicContact CB-CG 4.35Å; Q11-W26 HydrophobicContact CB-CH2 4.09Å; Q11-W26 HydrophobicContact CB-CZ2 4.22Å; Q11-W26 HydrophobicContact CB-CZ3 3.71Å; W26-L87 HydrophobicContact CH2-CB 3.64Å; W26-L87 HydrophobicContact CH2-CD2 4.29Å; W26-L87 HydrophobicContact CZ3-CB 3.94Å; W26-D89 HydrophobicContact CH2-CB 4.04Å; W26-D89 HydrophobicContact CZ3-CB 3.81Å
27	K	88.3	Confident	77.3	Confident	73 Å²	73	104.1 Å²	104.1	32%	0.317	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.7	-179.9	-62.1	-173	-174.5	-164.9	0	111.3	V10 A29 F46 E49	V10-K27 PolarHBondContact N-O 3.09Å; V10-K27 PolarHBondContact O-N 3.44Å; K27-A29 PolarHBondContact O-N 3.35Å; K27-F46 HydrophobicContact CB-CD1 3.52Å; K27-F46 HydrophobicContact CB-CE1 3.84Å; K27-F46 HydrophobicContact CD-CD1 4.47Å; K27-E49 IonicContact NZ-OE1 2.71Å; K27-E49 PolarHBondContact NZ-OE1 3.05Å
28	E	88.6	Confident	77.8	Confident	107 Å²	107	101.9 Å²	101.9	50%	0.5	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	129.1	175.3	-71.5	-174.7	-145.8	0	0	111.6	L9 F46 K47	L9-E28 HydrophobicContact CD1-CG 4.07Å; E28-F46 VanDerWaalsContact O-CA 3.32Å; E28-F46 WeakPolarHBondContact O-CA 3.4Å; E28-K47 HydrophobicContact CB-CD 3.97Å; E28-K47 HydrophobicContact CB-CG 4.26Å; E28-K47 PolarHBondContact O-N 3.4Å; E28-K47 VanDerWaalsContact OE2-CD 3.3Å; E28-K47 WeakPolarHBondContact OE2-CD 3.37Å; E28-K47 VanDerWaalsContact OE2-CE 3.28Å; E28-K47 WeakPolarHBondContact OE2-CE 3.49Å; E28-K47 IonicContact OE2-NZ 2.73Å; E28-K47 PolarHBondContact OE2-NZ 2.87Å
29	A	90.9	Very high	78.7	Confident	0 Å²	0	101.7 Å²	101.7	0%	0	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.8	177.9	0	0	0	0	0	111.8	G8 V10 K27 I31 F44 S45 F46	G8-A29 PolarHBondContact N-O 3.04Å; G8-A29 VanDerWaalsContact N-O 3.09Å; G8-A29 PolarHBondContact O-N 2.94Å; V10-A29 HydrophobicContact CB-CB 4.41Å; V10-A29 HydrophobicContact CG2-CB 3.94Å; K27-A29 PolarHBondContact O-N 3.35Å; A29-I31 HydrophobicContact CB-CG1 4.42Å; A29-F44 HydrophobicContact CB-CB 4.39Å; A29-F44 HydrophobicContact CB-CD1 4.19Å; A29-S45 WeakPolarHBondContact CA-O 3.38Å; A29-F46 HydrophobicContact CB-CD1 3.77Å; A29-F46 HydrophobicContact CB-CE1 3.89Å; A29-F46 HydrophobicContact CB-CG 4.33Å
30	V	91	Very high	80	Confident	31 Å²	31	92.4 Å²	92.4	19%	0.188	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.9	157.1	-176.7	0	0	0	0	107.1	K5 I6 Q7 E32 S45	K5-V30 HydrophobicContact CG-CG1 4.09Å; I6-V30 WeakPolarHBondContact O-CA 3.43Å; Q7-V30 HydrophobicContact CG-CG2 4.36Å; V30-E32 HydrophobicContact CG1-CG 4.13Å; V30-S45 PolarHBondContact N-O 3.41Å; V30-S45 PolarHBondContact O-N 3.46Å
31	I	92.4	Very high	81.5	Confident	1 Å²	1	86.8 Å²	86.8	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.9	-174.4	-45.5	175	0	0	0	107.2	K5 I6 V10 A29 M42 V43 F44 I88	K5-I31 WeakPolarHBondContact CA-O 3.43Å; I6-I31 HydrophobicContact CD1-CB 4.37Å; I6-I31 HydrophobicContact CD1-CD1 4.35Å; I6-I31 HydrophobicContact CG1-CB 3.78Å; I6-I31 HydrophobicContact CG1-CD1 4.24Å; I6-I31 HydrophobicContact CG1-CG1 4.33Å; I6-I31 PolarHBondContact N-O 2.97Å; I6-I31 PolarHBondContact O-N 3.44Å; V10-I31 HydrophobicContact CG2-CD1 3.87Å; V10-I31 HydrophobicContact CG2-CG1 4.4Å; A29-I31 HydrophobicContact CB-CG1 4.42Å; I31-M42 HydrophobicContact CG2-CG 3.87Å; I31-M42 HydrophobicContact CG2-SD 4.21Å; I31-V43 WeakPolarHBondContact CA-O 3.28Å; I31-F44 HydrophobicContact CB-CD1 4.46Å; I31-F44 HydrophobicContact CB-CE1 4.48Å; I31-F44 HydrophobicContact CD1-CD1 4.2Å; I31-F44 HydrophobicContact CD1-CE1 3.79Å; I31-F44 HydrophobicContact CG1-CD1 3.8Å; I31-F44 HydrophobicContact CG1-CE1 3.86Å; I31-F44 HydrophobicContact CG2-CD1 4.15Å; I31-F44 HydrophobicContact CG2-CE1 3.88Å; I31-F44 HydrophobicContact CG2-CZ 4.26Å; I31-I88 HydrophobicContact CD1-CB 4.43Å; I31-I88 HydrophobicContact CD1-CD1 4.06Å; I31-I88 HydrophobicContact CD1-CG1 4.21Å; I31-I88 HydrophobicContact CD1-CG2 3.38Å
32	E	90.8	Very high	82.8	Confident	39 Å²	39	82.8 Å²	82.8	18%	0.182	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.8	-176.2	-60.3	175.6	139.9	0	0	108.7	I4 K5 V30 V34 V43 K52	I4-E32 WeakPolarHBondContact O-CA 3.39Å; K5-E32 HydrophobicContact CD-CG 4.19Å; K5-E32 WeakPolarHBondContact CE-OE1 3.3Å; K5-E32 HydrophobicContact CG-CG 4.14Å; K5-E32 IonicContact NZ-OE1 3.9Å; K5-E32 PolarHBondContact NZ-OE1 2.61Å; V30-E32 HydrophobicContact CG1-CG 4.13Å; E32-V34 HydrophobicContact CB-CG2 4.08Å; E32-V43 HydrophobicContact CB-CB 4.35Å; E32-V43 PolarHBondContact N-O 3.17Å; E32-V43 WeakPolarHBondContact O-CB 3.32Å; E32-V43 PolarHBondContact O-N 2.89Å; E32-K52 IonicContact OE2-NZ 2.65Å; E32-K52 PolarHBondContact OE2-NZ 3.13Å
33	I	88.1	Confident	83.7	Confident	9 Å²	9	73.5 Å²	73.5	5%	0.046	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.2	169.8	-66.2	-179.7	0	0	0	108.3	I4 V40 T41 M42 L57 L99 F102	I4-I33 HydrophobicContact CB-CB 4.25Å; I4-I33 HydrophobicContact CB-CD1 4.39Å; I4-I33 HydrophobicContact CB-CG1 4.5Å; I4-I33 HydrophobicContact CD1-CD1 4.28Å; I4-I33 PolarHBondContact O-N 3.43Å; I33-V40 HydrophobicContact CG2-CG1 4.2Å; I33-T41 WeakPolarHBondContact CA-O 3.45Å; I33-M42 HydrophobicContact CD1-CE 4.06Å; I33-M42 HydrophobicContact CG1-CE 4.32Å; I33-L57 HydrophobicContact CD1-CD1 4.42Å; I33-L99 HydrophobicContact CD1-CD1 3.68Å; I33-F102 HydrophobicContact CD1-CD1 3.69Å; I33-F102 HydrophobicContact CD1-CE1 4.11Å; I33-F102 HydrophobicContact CD1-CG 4.15Å; I33-F102 HydrophobicContact CG2-CD1 4.14Å; I33-F102 HydrophobicContact CG2-CE1 3.55Å; I33-F102 HydrophobicContact CG2-CE2 3.98Å; I33-F102 HydrophobicContact CG2-CZ 3.48Å; I33-F102 VanDerWaalsContact CG2-CZ 3.48Å
34	V	84.4	Confident	84.2	Confident	38 Å²	38	71.1 Å²	71.1	23%	0.23	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.7	-171.7	-167.4	0	0	0	0	109.5	E32 R36 T41 V43	E32-V34 HydrophobicContact CB-CG2 4.08Å; V34-R36 HydrophobicContact CG1-CG 4.04Å; V34-T41 PolarHBondContact N-O 3.25Å; V34-T41 PolarHBondContact O-N 3.21Å; V34-T41 PolarHBondContact O-OG1 3.05Å; V34-V43 HydrophobicContact CB-CG2 4.46Å; V34-V43 HydrophobicContact CG2-CG2 3.98Å
35	E	80.3	Confident	84.5	Confident	115 Å²	115	70.2 Å²	70.2	54%	0.537	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123	172.7	-172.5	-178.2	175.2	0	0	109.8	V40	E35-V40 HydrophobicContact CG-CG2 4.25Å
36	R	70.7	Confident	84.8	Confident	191 Å²	191	63.8 Å²	63.8	72%	0.721	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	128.5	175.8	-70.3	-177.7	179.1	-168.7	-2.3	110.5	V34 Q38 K39	V34-R36 HydrophobicContact CG1-CG 4.04Å; R36-Q38 PolarHBondContact O-N 2.81Å; R36-K39 PolarHBondContact N-O 3.41Å; R36-K39 PolarHBondContact O-N 3.35Å
37	K	69.1	Low	84.5	Confident	208 Å²	208	63.8 Å²	63.8	90%	0.904	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	53.6	177.8	-58.8	-174.4	175.5	-171.5	0	112.5	K39	K37-K39 PolarHBondContact O-N 2.86Å
38	Q	65.3	Low	84	Confident	193 Å²	193	68.8 Å²	68.8	90%	0.902	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	12.1	-176.6	-63.6	170.5	-35.3	0	0	115.4	R36	R36-Q38 PolarHBondContact O-N 2.81Å
39	K	73.6	Confident	83.6	Confident	119 Å²	119	66.9 Å²	66.9	52%	0.517	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.4	171.8	-65.2	-166.8	172.8	-163.1	0	110.7	R36 K37	R36-K39 PolarHBondContact N-O 3.41Å; R36-K39 PolarHBondContact O-N 3.35Å; K37-K39 PolarHBondContact O-N 2.86Å
40	V	83.5	Confident	82.7	Confident	28 Å²	28	77.6 Å²	77.6	17%	0.17	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.5	173	178	0	0	0	0	109.2	I33 E35 L57 F102	I33-V40 HydrophobicContact CG2-CG1 4.2Å; E35-V40 HydrophobicContact CG-CG2 4.25Å; V40-L57 HydrophobicContact CG1-CB 4.08Å; V40-L57 HydrophobicContact CG1-CD1 3.98Å; V40-L57 HydrophobicContact CG1-CG 4.47Å; V40-L57 PolarHBondContact O-N 3.23Å; V40-F102 HydrophobicContact CG1-CE1 3.53Å; V40-F102 HydrophobicContact CG1-CZ 3.51Å; V40-F102 HydrophobicContact CG2-CZ 4.49Å
41	T	86.8	Confident	81.9	Confident	28 Å²	28	84.5 Å²	84.5	17%	0.172	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.7	-178.1	59.6	0	0	0	0	111.8	I33 V34 V54 F55	I33-T41 WeakPolarHBondContact CA-O 3.45Å; V34-T41 PolarHBondContact N-O 3.25Å; V34-T41 PolarHBondContact O-N 3.21Å; V34-T41 PolarHBondContact O-OG1 3.05Å; T41-V54 HydrophobicContact CG2-CG1 4.27Å; T41-F55 CarbonylContact C-O 3.46Å; T41-F55 WeakPolarHBondContact CA-O 3.45Å
42	M	90.1	Very high	81.6	Confident	0 Å²	0	89.9 Å²	89.9	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.1	170.1	-177.3	178.5	-81.1	0	0	109.1	I31 I33 F44 V54 F55 L57 L78 L86 L99 L103	I31-M42 HydrophobicContact CG2-CG 3.87Å; I31-M42 HydrophobicContact CG2-SD 4.21Å; I33-M42 HydrophobicContact CD1-CE 4.06Å; I33-M42 HydrophobicContact CG1-CE 4.32Å; M42-F44 HydrophobicContact CG-CD2 4.29Å; M42-F44 HydrophobicContact CG-CE2 3.64Å; M42-F44 HydrophobicContact CG-CZ 3.95Å; M42-F44 HydrophobicContact SD-CE1 4.39Å; M42-F44 HydrophobicContact SD-CE2 3.52Å; M42-F44 VanDerWaalsContact SD-CE2 3.52Å; M42-F44 HydrophobicContact SD-CZ 3.36Å; M42-F44 WeakPolarHBondContact SD-CZ 3.47Å; M42-V54 WeakPolarHBondContact O-CA 3.2Å; M42-F55 PolarHBondContact N-O 3.23Å; M42-F55 PolarHBondContact O-N 3.33Å; M42-L57 HydrophobicContact CB-CD1 4.06Å; M42-L57 HydrophobicContact CB-CD2 4.06Å; M42-L57 HydrophobicContact CB-CG 4.05Å; M42-L57 HydrophobicContact CE-CD1 4.31Å; M42-L57 HydrophobicContact CE-CD2 4.42Å; M42-L78 HydrophobicContact CE-CD2 4.01Å; M42-L78 HydrophobicContact SD-CD2 4.08Å; M42-L86 HydrophobicContact SD-CD1 4.46Å; M42-L99 HydrophobicContact CE-CD1 3.7Å; M42-L103 HydrophobicContact CE-CD1 4.42Å; M42-L103 HydrophobicContact CE-CD2 4.1Å
43	V	90	Very high	81.5	Confident	15 Å²	15	93.7 Å²	93.7	9%	0.091	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114	-172.9	-177.9	0	0	0	0	110	I31 E32 V34 K52 R53 V54	I31-V43 WeakPolarHBondContact CA-O 3.28Å; E32-V43 HydrophobicContact CB-CB 4.35Å; E32-V43 PolarHBondContact N-O 3.17Å; E32-V43 WeakPolarHBondContact O-CB 3.32Å; E32-V43 PolarHBondContact O-N 2.89Å; V34-V43 HydrophobicContact CB-CG2 4.46Å; V34-V43 HydrophobicContact CG2-CG2 3.98Å; V43-K52 HydrophobicContact CG1-CB 4.24Å; V43-K52 HydrophobicContact CG1-CD 3.64Å; V43-R53 CarbonylContact C-O 3.54Å; V43-R53 WeakPolarHBondContact CA-O 3.36Å; V43-V54 HydrophobicContact CG1-CG2 4.3Å; V43-V54 HydrophobicContact CG2-CG1 4.26Å; V43-V54 HydrophobicContact CG2-CG2 4.22Å
44	F	91.4	Very high	81.5	Confident	0 Å²	0	97.6 Å²	97.6	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.4	175.6	-64	-92.3	0	0	0	110.3	V10 A29 I31 M42 F46 K52 R53 F55 L86 I88	V10-F44 HydrophobicContact CB-CD1 4.31Å; V10-F44 HydrophobicContact CB-CE1 4.33Å; V10-F44 HydrophobicContact CG1-CD1 3.8Å; V10-F44 HydrophobicContact CG1-CE1 3.63Å; V10-F44 HydrophobicContact CG1-CZ 4.39Å; V10-F44 HydrophobicContact CG2-CD1 3.85Å; V10-F44 HydrophobicContact CG2-CE1 3.76Å; A29-F44 HydrophobicContact CB-CB 4.39Å; A29-F44 HydrophobicContact CB-CD1 4.19Å; I31-F44 HydrophobicContact CB-CD1 4.46Å; I31-F44 HydrophobicContact CB-CE1 4.48Å; I31-F44 HydrophobicContact CD1-CD1 4.2Å; I31-F44 HydrophobicContact CD1-CE1 3.79Å; I31-F44 HydrophobicContact CG1-CD1 3.8Å; I31-F44 HydrophobicContact CG1-CE1 3.86Å; I31-F44 HydrophobicContact CG2-CD1 4.15Å; I31-F44 HydrophobicContact CG2-CE1 3.88Å; I31-F44 HydrophobicContact CG2-CZ 4.26Å; M42-F44 HydrophobicContact CG-CD2 4.29Å; M42-F44 HydrophobicContact CG-CE2 3.64Å; M42-F44 HydrophobicContact CG-CZ 3.95Å; M42-F44 HydrophobicContact SD-CE1 4.39Å; M42-F44 HydrophobicContact SD-CE2 3.52Å; M42-F44 VanDerWaalsContact SD-CE2 3.52Å; M42-F44 HydrophobicContact SD-CZ 3.36Å; M42-F44 WeakPolarHBondContact SD-CZ 3.47Å; F44-F46 HydrophobicContact CB-CE2 3.87Å; F44-F46 HydrophobicContact CB-CZ 4.06Å; F44-K52 CarbonylContact O-C 3.52Å; F44-K52 WeakPolarHBondContact O-CA 3.34Å; F44-R53 HydrophobicContact CB-CB 4.31Å; F44-R53 PolarHBondContact N-O 3.04Å; F44-R53 PolarHBondContact O-N 3.17Å; F44-F55 AromaticContact CD2-CD2 3.66Å; F44-F55 HydrophobicContact CD2-CD2 3.66Å; F44-F55 AromaticContact CD2-CE2 3.63Å; F44-F55 HydrophobicContact CD2-CE2 3.63Å; F44-F55 AromaticContact CE2-CD2 3.55Å; F44-F55 HydrophobicContact CE2-CD2 3.55Å; F44-F55 AromaticContact CE2-CE2 3.72Å; F44-F55 HydrophobicContact CE2-CE2 3.72Å; F44-L86 HydrophobicContact CE2-CD1 3.93Å; F44-L86 HydrophobicContact CZ-CD1 4.07Å; F44-I88 HydrophobicContact CE1-CD1 4.12Å; F44-I88 HydrophobicContact CE1-CG1 4.17Å; F44-I88 HydrophobicContact CZ-CD1 4.11Å; F44-I88 HydrophobicContact CZ-CG1 4.43Å
45	S	90.1	Very high	81.6	Confident	21 Å²	21	97.5 Å²	97.5	15%	0.147	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	95	178.3	-46.4	0	0	0	0	109.1	A29 V30 K52	A29-S45 WeakPolarHBondContact CA-O 3.38Å; V30-S45 PolarHBondContact N-O 3.41Å; V30-S45 PolarHBondContact O-N 3.46Å; S45-K52 VanDerWaalsContact OG-CD 3.31Å; S45-K52 WeakPolarHBondContact OG-CD 3.45Å; S45-K52 WeakPolarHBondContact OG-CE 3.35Å; S45-K52 PolarHBondContact OG-NZ 3.08Å
46	F	89.5	Confident	81.8	Confident	17 Å²	17	96.1 Å²	96.1	8%	0.075	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.7	-175	-64.9	-82.1	0	0	0	111.7	V10 I12 K27 E28 A29 F44 L48 E49 R53	V10-F46 HydrophobicContact CB-CE1 4.12Å; V10-F46 HydrophobicContact CG1-CE1 4.41Å; V10-F46 HydrophobicContact CG1-CZ 4.42Å; I12-F46 HydrophobicContact CD1-CZ 4.11Å; K27-F46 HydrophobicContact CB-CD1 3.52Å; K27-F46 HydrophobicContact CB-CE1 3.84Å; K27-F46 HydrophobicContact CD-CD1 4.47Å; E28-F46 VanDerWaalsContact O-CA 3.32Å; E28-F46 WeakPolarHBondContact O-CA 3.4Å; A29-F46 HydrophobicContact CB-CD1 3.77Å; A29-F46 HydrophobicContact CB-CE1 3.89Å; A29-F46 HydrophobicContact CB-CG 4.33Å; F44-F46 HydrophobicContact CB-CE2 3.87Å; F44-F46 HydrophobicContact CB-CZ 4.06Å; F46-L48 PolarHBondContact O-N 2.81Å; F46-L48 VanDerWaalsContact O-N 3.11Å; F46-E49 HydrophobicContact CB-CB 4.15Å; F46-E49 HydrophobicContact CB-CG 4.41Å; F46-E49 PolarHBondContact O-N 2.88Å; F46-E49 VanDerWaalsContact O-N 3.14Å; F46-E49 VanDerWaalsContact O-O 3.14Å; F46-R53 HydrophobicContact CE2-CB 4.35Å; F46-R53 HydrophobicContact CE2-CG 3.8Å
47	K	80.2	Confident	82.4	Confident	107 Å²	107	87 Å²	87	47%	0.465	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30	-172.5	-66.6	-175.7	-175.2	172.2	0	113.9	E28	E28-K47 HydrophobicContact CB-CD 3.97Å; E28-K47 HydrophobicContact CB-CG 4.26Å; E28-K47 PolarHBondContact O-N 3.4Å; E28-K47 VanDerWaalsContact OE2-CD 3.3Å; E28-K47 WeakPolarHBondContact OE2-CD 3.37Å; E28-K47 VanDerWaalsContact OE2-CE 3.28Å; E28-K47 WeakPolarHBondContact OE2-CE 3.49Å; E28-K47 IonicContact OE2-NZ 2.73Å; E28-K47 PolarHBondContact OE2-NZ 2.87Å
48	L	78.3	Confident	82.6	Confident	178 Å²	178	78 Å²	78	93%	0.932	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-0.5	-177.9	-61.3	176.3	0	0	0	114.4	F46	F46-L48 PolarHBondContact O-N 2.81Å; F46-L48 VanDerWaalsContact O-N 3.11Å
49	E	78.8	Confident	82.9	Confident	66 Å²	66	73 Å²	73	31%	0.308	35%	0.345	S	S	.	.			trans	-121.4	131.5	179	-61.6	-170.3	-160.3	0	0	112	K27 F46 R51	K27-E49 IonicContact NZ-OE1 2.71Å; K27-E49 PolarHBondContact NZ-OE1 3.05Å; F46-E49 HydrophobicContact CB-CB 4.15Å; F46-E49 HydrophobicContact CB-CG 4.41Å; F46-E49 PolarHBondContact O-N 2.88Å; F46-E49 VanDerWaalsContact O-N 3.14Å; F46-E49 VanDerWaalsContact O-O 3.14Å; E49-R51 PolarHBondContact O-N 2.86Å
50	K	73.4	Confident	83.3	Confident	225 Å²	225	69.4 Å²	69.4	98%	0.978	33%	0.331	S	S	*	.	S	Bend	trans	-69	16.4	169.5	-63.6	-173.4	177.9	-178.2	0	113.7
51	R	73.2	Confident	83.3	Confident	176 Å²	176	68.3 Å²	68.3	66%	0.664	32%	0.324	S	S	*	.			trans	-123.1	122.3	-174.5	-70.6	-179.4	172	177.6	-3.2	109.8	E49	E49-R51 PolarHBondContact O-N 2.86Å
52	K	85.3	Confident	83.1	Confident	115 Å²	115	69.3 Å²	69.3	50%	0.5	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	151.2	169	-59.8	-161.8	175	-146.8	0	110.6	E32 V43 F44 S45	E32-K52 IonicContact OE2-NZ 2.65Å; E32-K52 PolarHBondContact OE2-NZ 3.13Å; V43-K52 HydrophobicContact CG1-CB 4.24Å; V43-K52 HydrophobicContact CG1-CD 3.64Å; F44-K52 CarbonylContact O-C 3.52Å; F44-K52 WeakPolarHBondContact O-CA 3.34Å; S45-K52 VanDerWaalsContact OG-CD 3.31Å; S45-K52 WeakPolarHBondContact OG-CD 3.45Å; S45-K52 WeakPolarHBondContact OG-CE 3.35Å; S45-K52 PolarHBondContact OG-NZ 3.08Å
53	R	88.7	Confident	82.7	Confident	119 Å²	119	70.2 Å²	70.2	45%	0.449	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144.3	163.5	-61.1	-64.2	-179.5	-168.6	0.8	109	I12 V43 F44 F46 F55	I12-R53 HydrophobicContact CD1-CG 4.13Å; V43-R53 CarbonylContact C-O 3.54Å; V43-R53 WeakPolarHBondContact CA-O 3.36Å; F44-R53 HydrophobicContact CB-CB 4.31Å; F44-R53 PolarHBondContact N-O 3.04Å; F44-R53 PolarHBondContact O-N 3.17Å; F46-R53 HydrophobicContact CE2-CB 4.35Å; F46-R53 HydrophobicContact CE2-CG 3.8Å; R53-F55 HydrophobicContact CB-CE2 3.91Å; R53-F55 HydrophobicContact CB-CZ 4.45Å
54	V	88.1	Confident	82.6	Confident	91 Å²	91	70.7 Å²	70.7	55%	0.552	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.4	-176.9	-175.7	0	0	0	0	108.4	T41 M42 V43	T41-V54 HydrophobicContact CG2-CG1 4.27Å; M42-V54 WeakPolarHBondContact O-CA 3.2Å; V43-V54 HydrophobicContact CG1-CG2 4.3Å; V43-V54 HydrophobicContact CG2-CG1 4.26Å; V43-V54 HydrophobicContact CG2-CG2 4.22Å
55	F	87.8	Confident	82.1	Confident	35 Å²	35	74.9 Å²	74.9	15%	0.154	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.4	175.9	-60	-89.1	0	0	0	108.7	I12 T41 M42 F44 R53 L80 T84 L86	I12-F55 HydrophobicContact CD1-CE2 4.34Å; I12-F55 HydrophobicContact CD1-CZ 4.07Å; I12-F55 HydrophobicContact CG1-CZ 4.43Å; I12-F55 HydrophobicContact CG2-CZ 4.24Å; T41-F55 CarbonylContact C-O 3.46Å; T41-F55 WeakPolarHBondContact CA-O 3.45Å; M42-F55 PolarHBondContact N-O 3.23Å; M42-F55 PolarHBondContact O-N 3.33Å; F44-F55 AromaticContact CD2-CD2 3.66Å; F44-F55 HydrophobicContact CD2-CD2 3.66Å; F44-F55 AromaticContact CD2-CE2 3.63Å; F44-F55 HydrophobicContact CD2-CE2 3.63Å; F44-F55 AromaticContact CE2-CD2 3.55Å; F44-F55 HydrophobicContact CE2-CD2 3.55Å; F44-F55 AromaticContact CE2-CE2 3.72Å; F44-F55 HydrophobicContact CE2-CE2 3.72Å; R53-F55 HydrophobicContact CB-CE2 3.91Å; R53-F55 HydrophobicContact CB-CZ 4.45Å; F55-L80 HydrophobicContact CB-CD1 4.11Å; F55-L80 HydrophobicContact CD1-CD1 3.76Å; F55-L80 HydrophobicContact CG-CD1 4.21Å; F55-T84 HydrophobicContact CE1-CG2 4.14Å; F55-L86 HydrophobicContact CD1-CD1 4.44Å; F55-L86 HydrophobicContact CD2-CD1 4.07Å; F55-L86 HydrophobicContact CD2-CD2 4.44Å; F55-L86 HydrophobicContact CE1-CD2 4.11Å; F55-L86 HydrophobicContact CE2-CD1 4.3Å; F55-L86 HydrophobicContact CE2-CD2 3.86Å; F55-L86 HydrophobicContact CG-CD1 4.13Å; F55-L86 HydrophobicContact CZ-CD2 3.67Å
56	Q	84.9	Confident	81.8	Confident	87 Å²	87	76.4 Å²	76.4	41%	0.407	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.3	171.2	-170.2	-178.8	-59.2	0	0	108.4	N60	Q56-N60 PolarHBondContact O-ND2 3.36Å
57	L	83.3	Confident	81.3	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.398	C	S	.	.			trans	-91.5	-42.5	179.5	-64.7	-179.7	0	0	0	112.1	I33 V40 M42 N59 N60 V61 L78 L80 F102 L103	I33-L57 HydrophobicContact CD1-CD1 4.42Å; V40-L57 HydrophobicContact CG1-CB 4.08Å; V40-L57 HydrophobicContact CG1-CD1 3.98Å; V40-L57 HydrophobicContact CG1-CG 4.47Å; V40-L57 PolarHBondContact O-N 3.23Å; M42-L57 HydrophobicContact CB-CD1 4.06Å; M42-L57 HydrophobicContact CB-CD2 4.06Å; M42-L57 HydrophobicContact CB-CG 4.05Å; M42-L57 HydrophobicContact CE-CD1 4.31Å; M42-L57 HydrophobicContact CE-CD2 4.42Å; L57-N59 PolarHBondContact O-N 2.9Å; L57-N60 PolarHBondContact O-N 3.24Å; L57-V61 HydrophobicContact CB-CG2 4.35Å; L57-V61 HydrophobicContact CD2-CG2 4.24Å; L57-V61 PolarHBondContact O-N 3.03Å; L57-L78 HydrophobicContact CD2-CD2 4.09Å; L57-L80 HydrophobicContact CD2-CD2 4.42Å; L57-F102 HydrophobicContact CD1-CE1 4.08Å; L57-L103 HydrophobicContact CD1-CD2 3.78Å; L57-L103 HydrophobicContact CD2-CD2 3.94Å; L57-L103 HydrophobicContact CG-CD2 4.46Å
58	G	72.9	Confident	80.2	Confident	19 Å²	19	77.5 Å²	77.5	20%	0.196	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	121.8	-175	0	0	0	0	0	112.8	N60	G58-N60 PolarHBondContact O-N 3.26Å
59	N	71	Confident	78.9	Confident	88 Å²	88	71.4 Å²	71.4	47%	0.471	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	11.7	-175.4	-54.5	59.9	0	0	0	115.2	L57 K81 D110	L57-N59 PolarHBondContact O-N 2.9Å; N59-K81 VanDerWaalsContact O-CD 3.27Å; N59-K81 WeakPolarHBondContact O-CD 3.49Å; N59-K81 WeakPolarHBondContact O-CE 3.31Å; N59-K81 PolarHBondContact O-NZ 3.16Å; N59-D110 PolarHBondContact ND2-OD1 2.86Å
60	N	81.6	Confident	77.3	Confident	43 Å²	43	78 Å²	78	23%	0.23	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-6.6	-176.1	-177.2	44.8	0	0	0	113.4	Q56 L57 G58 L80 K81	Q56-N60 PolarHBondContact O-ND2 3.36Å; L57-N60 PolarHBondContact O-N 3.24Å; G58-N60 PolarHBondContact O-N 3.26Å; N60-L80 CarbonylContact O-C 3.59Å; N60-L80 WeakPolarHBondContact O-CA 3.31Å; N60-K81 PolarHBondContact O-N 3.4Å; N60-K81 PolarHBondContact OD1-N 3.44Å
61	V	84.2	Confident	76	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.1	164.6	-179.9	0	0	0	0	108.9	L57 V64 L78 K81 L103 H107	L57-V61 HydrophobicContact CB-CG2 4.35Å; L57-V61 HydrophobicContact CD2-CG2 4.24Å; L57-V61 PolarHBondContact O-N 3.03Å; V61-V64 HydrophobicContact CG1-CG2 3.9Å; V61-L78 HydrophobicContact CG1-CD1 3.86Å; V61-L78 HydrophobicContact CG2-CD1 4.2Å; V61-K81 WeakPolarHBondContact O-CE 3.28Å; V61-L103 HydrophobicContact CG2-CD2 4.28Å; V61-H107 HydrophobicContact CG1-CB 4.47Å
62	A	82.6	Confident	74.8	Confident	49 Å²	49	68.7 Å²	68.7	41%	0.405	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-10.6	178.1	0	0	0	0	0	113.4	T79 K81	A62-T79 HydrophobicContact CB-CG2 4.13Å; A62-T79 PolarHBondContact N-O 3.46Å; A62-K81 HydrophobicContact CB-CB 4.49Å; A62-K81 HydrophobicContact CB-CG 3.76Å
63	G	81.7	Confident	73.7	Confident	20 Å²	20	65.8 Å²	65.8	21%	0.206	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.1	146	177.8	0	0	0	0	0	111.5	T79	G63-T79 PolarHBondContact N-O 2.95Å; G63-T79 PolarHBondContact O-N 3.3Å
64	V	86.9	Confident	73.3	Confident	25 Å²	25	61.5 Å²	61.5	15%	0.152	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.6	178.3	-172.3	0	0	0	0	107.4	V61 L76 L78 K100 L103	V61-V64 HydrophobicContact CG1-CG2 3.9Å; V64-L76 HydrophobicContact CG1-CD1 3.89Å; V64-L76 HydrophobicContact CG1-CD2 4.21Å; V64-L76 HydrophobicContact CG1-CG 4.1Å; V64-L78 HydrophobicContact CG2-CD1 4.2Å; V64-K100 HydrophobicContact CG1-CG 4.31Å; V64-L103 HydrophobicContact CG1-CD1 4.22Å; V64-L103 HydrophobicContact CG2-CB 3.81Å; V64-L103 HydrophobicContact CG2-CD1 4.34Å
65	V	82.9	Confident	73.2	Confident	88 Å²	88	58 Å²	58	53%	0.533	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139	173.1	-178.9	0	0	0	0	108	Y77	V65-Y77 PolarHBondContact N-O 3.26Å; V65-Y77 PolarHBondContact O-N 3.4Å
66	V	82.4	Confident	73.2	Confident	52 Å²	52	56.3 Å²	56.3	32%	0.315	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.1	176.3	175.4	0	0	0	0	108	C75 L76 I96 K100	V66-C75 WeakPolarHBondContact CA-O 3.2Å; V66-L76 HydrophobicContact CG2-CD1 3.91Å; V66-L76 HydrophobicContact CG2-CG 4.25Å; V66-I96 HydrophobicContact CG1-CD1 3.85Å; V66-I96 HydrophobicContact CG1-CG1 3.56Å; V66-I96 HydrophobicContact CG2-CD1 3.96Å; V66-I96 HydrophobicContact CG2-CG1 4.08Å; V66-K100 HydrophobicContact CG2-CB 4.49Å; V66-K100 HydrophobicContact CG2-CD 4.07Å; V66-K100 HydrophobicContact CG2-CG 4.16Å
67	S	78.7	Confident	73.4	Confident	61 Å²	61	56.1 Å²	56.1	43%	0.427	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.3	174.1	55.8	0	0	0	0	109.4	C75	S67-C75 PolarHBondContact N-O 3.22Å; S67-C75 PolarHBondContact O-N 3.46Å
68	C	58	Low	73.6	Confident	86 Å²	86	56.1 Å²	56.1	58%	0.581	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	146.5	172.8	-163.7	0	0	0	0	110.2
69	C	51.4	Low	74.2	Confident	51 Å²	51	57.4 Å²	57.4	35%	0.345	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	163.1	167.8	-58.4	0	0	0	0	109.5	M71 G72 L73	C69-M71 PolarHBondContact O-N 2.98Å; C69-G72 PolarHBondContact O-N 2.89Å; C69-L73 WeakPolarHBondContact CA-O 3.2Å; C69-L73 WeakPolarHBondContact CB-O 3.37Å; C69-L73 PolarHBondContact N-O 2.92Å
70	E	45.2	Very low	75	Confident	203 Å²	203	53.5 Å²	53.5	95%	0.949	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	15.3	-160.1	-60.7	168.7	157.3	0	0	116.3
71	M	44.6	Very low	75	Confident	161 Å²	161	56.9 Å²	56.9	79%	0.793	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	20.2	-177.4	-60.8	-172.1	75	0	0	113.6	C69 L73	C69-M71 PolarHBondContact O-N 2.98Å; M71-L73 HydrophobicContact CB-CD1 4.46Å; M71-L73 HydrophobicContact CB-CG 4.45Å; M71-L73 PolarHBondContact O-N 2.92Å
72	G	49.3	Very low	74.3	Confident	45 Å²	45	59 Å²	59	46%	0.464	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	14.7	-170.7	0	0	0	0	0	113.4	C69	C69-G72 PolarHBondContact O-N 2.89Å
73	L	61.3	Low	73.8	Confident	55 Å²	55	60.7 Å²	60.7	29%	0.288	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.2	174.8	-70	177.6	0	0	0	108.9	C69 M71 K90 L91	C69-L73 WeakPolarHBondContact CA-O 3.2Å; C69-L73 WeakPolarHBondContact CB-O 3.37Å; C69-L73 PolarHBondContact N-O 2.92Å; M71-L73 HydrophobicContact CB-CD1 4.46Å; M71-L73 HydrophobicContact CB-CG 4.45Å; M71-L73 PolarHBondContact O-N 2.92Å; L73-K90 HydrophobicContact CD1-CB 4.21Å; L73-K90 HydrophobicContact CD1-CG 4.33Å; L73-L91 CarbonylContact C-O 3.59Å; L73-L91 VanDerWaalsContact CA-O 3.31Å; L73-L91 WeakPolarHBondContact CA-O 3.23Å
74	H	81.1	Confident	73.9	Confident	28 Å²	28	60.9 Å²	60.9	13%	0.13	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.9	-173.6	-60	-98.5	0	0	0	111.3	L91 S93 I96	H74-L91 PolarHBondContact N-O 3.41Å; H74-L91 WeakPolarHBondContact O-CB 3.32Å; H74-L91 PolarHBondContact O-N 2.96Å; H74-L91 VanDerWaalsContact O-N 3.12Å; H74-S93 PolarHBondContact NE2-OG 2.83Å; H74-I96 HydrophobicContact CB-CB 3.85Å; H74-I96 HydrophobicContact CB-CD1 3.87Å; H74-I96 HydrophobicContact CB-CG1 3.71Å; H74-I96 HydrophobicContact CB-CG2 4.04Å
75	C	84.6	Confident	73.9	Confident	18 Å²	18	60.3 Å²	60.3	12%	0.122	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.9	170.3	-175.4	0	0	0	0	109.9	V66 S67 I88	V66-C75 WeakPolarHBondContact CA-O 3.2Å; S67-C75 PolarHBondContact N-O 3.22Å; S67-C75 PolarHBondContact O-N 3.46Å; C75-I88 CarbonylContact C-O 3.52Å; C75-I88 VanDerWaalsContact CA-O 3.3Å; C75-I88 WeakPolarHBondContact CA-O 3.42Å
76	L	89.7	Confident	74.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.4	173.9	-167.6	138.3	0	0	0	110.6	V64 V66 L78 L87 I88 L91 I96 L99 L103	V64-L76 HydrophobicContact CG1-CD1 3.89Å; V64-L76 HydrophobicContact CG1-CD2 4.21Å; V64-L76 HydrophobicContact CG1-CG 4.1Å; V66-L76 HydrophobicContact CG2-CD1 3.91Å; V66-L76 HydrophobicContact CG2-CG 4.25Å; L76-L78 HydrophobicContact CD2-CB 3.68Å; L76-L87 WeakPolarHBondContact O-CA 3.29Å; L76-I88 HydrophobicContact CB-CB 4.46Å; L76-I88 HydrophobicContact CD2-CD1 4.32Å; L76-I88 PolarHBondContact N-O 3.24Å; L76-I88 PolarHBondContact O-N 3.13Å; L76-L91 HydrophobicContact CB-CD1 4.16Å; L76-I96 HydrophobicContact CB-CD1 3.67Å; L76-I96 HydrophobicContact CD1-CD1 3.75Å; L76-I96 HydrophobicContact CG-CD1 4.26Å; L76-L99 HydrophobicContact CD1-CD2 3.82Å; L76-L99 HydrophobicContact CD1-CG 3.97Å; L76-L99 HydrophobicContact CD2-CD2 4.33Å; L76-L99 HydrophobicContact CG-CD2 4.45Å; L76-L103 HydrophobicContact CD1-CD1 4.12Å; L76-L103 HydrophobicContact CD2-CD1 3.92Å
77	Y	87.9	Confident	74.6	Confident	83 Å²	83	54.4 Å²	54.4	33%	0.325	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	103.3	173.2	-174.1	-94.6	0	0	0	109.8	V65 T79 S85 L87	V65-Y77 PolarHBondContact N-O 3.26Å; V65-Y77 PolarHBondContact O-N 3.4Å; Y77-T79 WeakPolarHBondContact CE1-OG1 3.43Å; Y77-S85 VanDerWaalsContact OH-CB 3.28Å; Y77-S85 WeakPolarHBondContact OH-CB 3.42Å; Y77-S85 PolarHBondContact OH-OG 2.83Å; Y77-L87 HydrophobicContact CD2-CD1 4.43Å; Y77-L87 HydrophobicContact CD2-CD2 3.96Å; Y77-L87 HydrophobicContact CD2-CG 3.77Å; Y77-L87 HydrophobicContact CE2-CD1 4.26Å; Y77-L87 HydrophobicContact CE2-CD2 4.32Å; Y77-L87 HydrophobicContact CE2-CG 4.09Å
78	L	88.6	Confident	75.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.7	178.5	168.1	58.6	0	0	0	110	M42 L57 V61 V64 L76 L80 S85 L86 L103	M42-L78 HydrophobicContact CE-CD2 4.01Å; M42-L78 HydrophobicContact SD-CD2 4.08Å; L57-L78 HydrophobicContact CD2-CD2 4.09Å; V61-L78 HydrophobicContact CG1-CD1 3.86Å; V61-L78 HydrophobicContact CG2-CD1 4.2Å; V64-L78 HydrophobicContact CG2-CD1 4.2Å; L76-L78 HydrophobicContact CD2-CB 3.68Å; L78-L80 HydrophobicContact CD1-CD2 4.09Å; L78-L80 HydrophobicContact CD2-CD2 4.33Å; L78-L80 HydrophobicContact CG-CD2 4.11Å; L78-S85 CarbonylContact O-C 3.56Å; L78-S85 VanDerWaalsContact O-CA 3.27Å; L78-S85 WeakPolarHBondContact O-CA 3.47Å; L78-L86 HydrophobicContact CB-CB 4.29Å; L78-L86 HydrophobicContact CD2-CD1 3.99Å; L78-L86 HydrophobicContact CG-CD1 4.43Å; L78-L86 PolarHBondContact N-O 3.29Å; L78-L86 PolarHBondContact O-N 2.84Å; L78-L103 HydrophobicContact CD1-CD1 4.5Å; L78-L103 HydrophobicContact CD1-CD2 4.31Å; L78-L103 HydrophobicContact CD2-CD1 4.23Å; L78-L103 HydrophobicContact CD2-CD2 4.02Å
79	T	85.6	Confident	76.5	Confident	45 Å²	45	48.9 Å²	48.9	28%	0.276	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.3	172.1	-54.1	0	0	0	0	110	A62 G63 Y77	A62-T79 HydrophobicContact CB-CG2 4.13Å; A62-T79 PolarHBondContact N-O 3.46Å; G63-T79 PolarHBondContact N-O 2.95Å; G63-T79 PolarHBondContact O-N 3.3Å; Y77-T79 WeakPolarHBondContact CE1-OG1 3.43Å
80	L	87.4	Confident	78.1	Confident	7 Å²	7	52.1 Å²	52.1	4%	0.037	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	148.1	173.5	-56.5	177.4	0	0	0	110.6	F55 L57 N60 L78 G82 T84 L86	F55-L80 HydrophobicContact CB-CD1 4.11Å; F55-L80 HydrophobicContact CD1-CD1 3.76Å; F55-L80 HydrophobicContact CG-CD1 4.21Å; L57-L80 HydrophobicContact CD2-CD2 4.42Å; N60-L80 CarbonylContact O-C 3.59Å; N60-L80 WeakPolarHBondContact O-CA 3.31Å; L78-L80 HydrophobicContact CD1-CD2 4.09Å; L78-L80 HydrophobicContact CD2-CD2 4.33Å; L78-L80 HydrophobicContact CG-CD2 4.11Å; L80-G82 PolarHBondContact O-N 2.88Å; L80-G82 VanDerWaalsContact O-N 3.07Å; L80-T84 WeakPolarHBondContact CB-O 3.4Å; L80-T84 PolarHBondContact N-O 3.4Å; L80-L86 HydrophobicContact CD1-CD1 4.14Å
81	K	80.4	Confident	79.9	Confident	113 Å²	113	42.4 Å²	42.4	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.2	-178.9	-63.6	-175.9	-170.1	171	0	112.2	N59 N60 V61 A62 D83 D110	N59-K81 VanDerWaalsContact O-CD 3.27Å; N59-K81 WeakPolarHBondContact O-CD 3.49Å; N59-K81 WeakPolarHBondContact O-CE 3.31Å; N59-K81 PolarHBondContact O-NZ 3.16Å; N60-K81 PolarHBondContact O-N 3.4Å; N60-K81 PolarHBondContact OD1-N 3.44Å; V61-K81 WeakPolarHBondContact O-CE 3.28Å; A62-K81 HydrophobicContact CB-CB 4.49Å; A62-K81 HydrophobicContact CB-CG 3.76Å; K81-D83 PolarHBondContact O-N 3.41Å; K81-D110 IonicContact NZ-OD2 2.71Å; K81-D110 PolarHBondContact NZ-OD2 2.95Å
82	G	70.5	Confident	81.8	Confident	48 Å²	48	36.9 Å²	36.9	50%	0.495	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	53.8	176.1	0	0	0	0	0	116.5	L80 T84	L80-G82 PolarHBondContact O-N 2.88Å; L80-G82 VanDerWaalsContact O-N 3.07Å; G82-T84 WeakPolarHBondContact O-CB 3.22Å; G82-T84 PolarHBondContact O-N 3.03Å; G82-T84 PolarHBondContact O-OG1 3.45Å
83	D	71.8	Confident	83.4	Confident	86 Å²	86	37.4 Å²	37.4	46%	0.46	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	27.8	168.8	-126	2.4	0	0	0	116.3	K15 K81	K15-D83 HydrophobicContact CB-CB 4.36Å; K15-D83 VanDerWaalsContact CD-OD1 3.28Å; K15-D83 WeakPolarHBondContact CD-OD1 3.46Å; K15-D83 WeakPolarHBondContact CE-OD1 3.42Å; K15-D83 PolarHBondContact N-O 3.48Å; K15-D83 IonicContact NZ-OD1 3.55Å; K15-D83 PolarHBondContact NZ-OD1 3.14Å; K81-D83 PolarHBondContact O-N 3.41Å
84	T	83.3	Confident	84.5	Confident	24 Å²	24	37.1 Å²	37.1	15%	0.147	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.7	-173.1	-58.7	0	0	0	0	109.3	I12 R13 F55 L80 G82	I12-T84 HydrophobicContact CG2-CG2 4.37Å; R13-T84 CarbonylContact O-C 3.47Å; R13-T84 WeakPolarHBondContact O-CA 3.24Å; R13-T84 WeakPolarHBondContact O-CG2 3.24Å; F55-T84 HydrophobicContact CE1-CG2 4.14Å; L80-T84 WeakPolarHBondContact CB-O 3.4Å; L80-T84 PolarHBondContact N-O 3.4Å; G82-T84 WeakPolarHBondContact O-CB 3.22Å; G82-T84 PolarHBondContact O-N 3.03Å; G82-T84 PolarHBondContact O-OG1 3.45Å
85	S	88.3	Confident	84.8	Confident	12 Å²	12	37.7 Å²	37.7	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.5	172.9	61.6	0	0	0	0	112.1	R13 Y77 L78	R13-S85 PolarHBondContact N-O 3.06Å; R13-S85 PolarHBondContact O-N 3.29Å; R13-S85 VanDerWaalsContact O-O 3.09Å; Y77-S85 VanDerWaalsContact OH-CB 3.28Å; Y77-S85 WeakPolarHBondContact OH-CB 3.42Å; Y77-S85 PolarHBondContact OH-OG 2.83Å; L78-S85 CarbonylContact O-C 3.56Å; L78-S85 VanDerWaalsContact O-CA 3.27Å; L78-S85 WeakPolarHBondContact O-CA 3.47Å
86	L	89.6	Confident	84.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.9	-173.2	-58.3	171.6	0	0	0	107.4	I12 M42 F44 F55 L78 L80	I12-L86 HydrophobicContact CB-CD2 4.23Å; I12-L86 HydrophobicContact CG1-CD2 3.8Å; I12-L86 HydrophobicContact CG2-CD2 3.97Å; M42-L86 HydrophobicContact SD-CD1 4.46Å; F44-L86 HydrophobicContact CE2-CD1 3.93Å; F44-L86 HydrophobicContact CZ-CD1 4.07Å; F55-L86 HydrophobicContact CD1-CD1 4.44Å; F55-L86 HydrophobicContact CD2-CD1 4.07Å; F55-L86 HydrophobicContact CD2-CD2 4.44Å; F55-L86 HydrophobicContact CE1-CD2 4.11Å; F55-L86 HydrophobicContact CE2-CD1 4.3Å; F55-L86 HydrophobicContact CE2-CD2 3.86Å; F55-L86 HydrophobicContact CG-CD1 4.13Å; F55-L86 HydrophobicContact CZ-CD2 3.67Å; L78-L86 HydrophobicContact CB-CB 4.29Å; L78-L86 HydrophobicContact CD2-CD1 3.99Å; L78-L86 HydrophobicContact CG-CD1 4.43Å; L78-L86 PolarHBondContact N-O 3.29Å; L78-L86 PolarHBondContact O-N 2.84Å; L80-L86 HydrophobicContact CD1-CD1 4.14Å
87	L	88.6	Confident	84.6	Confident	16 Å²	16	43.8 Å²	43.8	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.9	170.8	-58.8	94.4	0	0	0	108	V10 Q11 R13 W26 L76 Y77	V10-L87 WeakPolarHBondContact CA-O 3.42Å; Q11-L87 HydrophobicContact CB-CB 4.36Å; Q11-L87 HydrophobicContact CB-CD1 4.43Å; Q11-L87 HydrophobicContact CG-CD1 4.21Å; Q11-L87 PolarHBondContact N-O 3.31Å; Q11-L87 PolarHBondContact O-N 2.65Å; R13-L87 HydrophobicContact CG-CD1 3.69Å; R13-L87 VanDerWaalsContact NE-CD1 3.35Å; W26-L87 HydrophobicContact CH2-CB 3.64Å; W26-L87 HydrophobicContact CH2-CD2 4.29Å; W26-L87 HydrophobicContact CZ3-CB 3.94Å; L76-L87 WeakPolarHBondContact O-CA 3.29Å; Y77-L87 HydrophobicContact CD2-CD1 4.43Å; Y77-L87 HydrophobicContact CD2-CD2 3.96Å; Y77-L87 HydrophobicContact CD2-CG 3.77Å; Y77-L87 HydrophobicContact CE2-CD1 4.26Å; Y77-L87 HydrophobicContact CE2-CD2 4.32Å; Y77-L87 HydrophobicContact CE2-CG 4.09Å
88	I	90.1	Very high	84.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	103.6	179.6	-53.2	166.9	0	0	0	106.9	V10 I31 F44 C75 L76 L91 L99	V10-I88 HydrophobicContact CG2-CG1 4.29Å; V10-I88 HydrophobicContact CG2-CG2 4.2Å; I31-I88 HydrophobicContact CD1-CB 4.43Å; I31-I88 HydrophobicContact CD1-CD1 4.06Å; I31-I88 HydrophobicContact CD1-CG1 4.21Å; I31-I88 HydrophobicContact CD1-CG2 3.38Å; F44-I88 HydrophobicContact CE1-CD1 4.12Å; F44-I88 HydrophobicContact CE1-CG1 4.17Å; F44-I88 HydrophobicContact CZ-CD1 4.11Å; F44-I88 HydrophobicContact CZ-CG1 4.43Å; C75-I88 CarbonylContact C-O 3.52Å; C75-I88 VanDerWaalsContact CA-O 3.3Å; C75-I88 WeakPolarHBondContact CA-O 3.42Å; L76-I88 HydrophobicContact CB-CB 4.46Å; L76-I88 HydrophobicContact CD2-CD1 4.32Å; L76-I88 PolarHBondContact N-O 3.24Å; L76-I88 PolarHBondContact O-N 3.13Å; I88-L91 HydrophobicContact CB-CD1 4.29Å; I88-L91 HydrophobicContact CG2-CD1 3.73Å; I88-L91 HydrophobicContact CG2-CD2 3.71Å; I88-L91 HydrophobicContact CG2-CG 3.79Å; I88-L99 HydrophobicContact CD1-CD2 4.1Å
89	D	87.3	Confident	84.4	Confident	31 Å²	31	44.8 Å²	44.8	17%	0.166	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	164.1	179.5	177.1	36.3	0	0	0	110.7	G8 L9 W26	G8-D89 CarbonylContact C-O 3.59Å; G8-D89 WeakPolarHBondContact CA-O 3.48Å; L9-D89 HydrophobicContact CB-CB 4.32Å; L9-D89 PolarHBondContact N-O 3.12Å; L9-D89 PolarHBondContact O-N 2.84Å; W26-D89 HydrophobicContact CH2-CB 4.04Å; W26-D89 HydrophobicContact CZ3-CB 3.81Å
90	K	84.9	Confident	84.5	Confident	119 Å²	119	46.2 Å²	46.2	52%	0.517	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.2	38.5	179.2	-49.2	-164.6	177.7	-168.4	0	115.3	L9 L73	L9-K90 HydrophobicContact CB-CD 4.48Å; L9-K90 HydrophobicContact CB-CG 4.31Å; L73-K90 HydrophobicContact CD1-CB 4.21Å; L73-K90 HydrophobicContact CD1-CG 4.33Å
91	L	83.4	Confident	84.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	142.9	170.3	-62.5	179.9	0	0	0	111.2	I6 Q7 L73 H74 L76 I88 D95 I96 L99	I6-L91 HydrophobicContact CD1-CD2 3.82Å; I6-L91 HydrophobicContact CG1-CD2 4.32Å; Q7-L91 WeakPolarHBondContact O-CD2 3.49Å; L73-L91 CarbonylContact C-O 3.59Å; L73-L91 VanDerWaalsContact CA-O 3.31Å; L73-L91 WeakPolarHBondContact CA-O 3.23Å; H74-L91 PolarHBondContact N-O 3.41Å; H74-L91 WeakPolarHBondContact O-CB 3.32Å; H74-L91 PolarHBondContact O-N 2.96Å; H74-L91 VanDerWaalsContact O-N 3.12Å; L76-L91 HydrophobicContact CB-CD1 4.16Å; I88-L91 HydrophobicContact CB-CD1 4.29Å; I88-L91 HydrophobicContact CG2-CD1 3.73Å; I88-L91 HydrophobicContact CG2-CD2 3.71Å; I88-L91 HydrophobicContact CG2-CG 3.79Å; L91-D95 HydrophobicContact CB-CB 4.23Å; L91-D95 HydrophobicContact CD2-CB 4.34Å; L91-I96 HydrophobicContact CB-CB 4.47Å; L91-I96 HydrophobicContact CD1-CD1 3.68Å; L91-L99 HydrophobicContact CD1-CD2 3.8Å
92	S	84.9	Confident	84.6	Confident	44 Å²	44	44.1 Å²	44.1	31%	0.308	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	163.4	170.4	75.2	0	0	0	0	111.8	A94 D95 I96	S92-A94 PolarHBondContact O-N 3.22Å; S92-A94 PolarHBondContact OG-N 3.25Å; S92-D95 VanDerWaalsContact CB-OD2 3.28Å; S92-D95 WeakPolarHBondContact CB-OD2 3.45Å; S92-D95 PolarHBondContact N-OD2 3.28Å; S92-D95 VanDerWaalsContact N-OD2 3.15Å; S92-D95 PolarHBondContact O-N 2.71Å; S92-D95 PolarHBondContact OG-N 3.07Å; S92-D95 PolarHBondContact OG-OD2 3.24Å; S92-I96 PolarHBondContact O-N 3.13Å
93	S	82.3	Confident	85.3	Confident	56 Å²	56	41.8 Å²	41.8	39%	0.392	23%	0.231	S	C	.	.	H	α-helix	trans	-54.9	-34.2	173.1	-55.5	0	0	0	0	113	H74 I96 E97	H74-S93 PolarHBondContact NE2-OG 2.83Å; S93-I96 VanDerWaalsContact O-CG2 3.3Å; S93-I96 WeakPolarHBondContact O-CG2 3.19Å; S93-E97 VanDerWaalsContact O-CG 3.31Å; S93-E97 WeakPolarHBondContact O-CG 3.45Å; S93-E97 PolarHBondContact O-N 3.45Å
94	A	83.8	Confident	85.7	Confident	50 Å²	50	40.3 Å²	40.3	41%	0.413	22%	0.223	S	C	.	.	H	α-helix	trans	-73.8	-35.1	175.9	0	0	0	0	0	112.7	S92 Q98	S92-A94 PolarHBondContact O-N 3.22Å; S92-A94 PolarHBondContact OG-N 3.25Å; A94-Q98 WeakPolarHBondContact O-CB 3.47Å; A94-Q98 VanDerWaalsContact O-CG 3.26Å; A94-Q98 WeakPolarHBondContact O-CG 3.35Å; A94-Q98 PolarHBondContact O-N 2.85Å; A94-Q98 PolarHBondContact O-NE2 2.8Å
95	D	87.6	Confident	85.3	Confident	39 Å²	39	43.8 Å²	43.8	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-71.8	-41.4	177.9	-61.7	-56.5	0	0	0	111.6	I6 L91 S92 L99	I6-D95 HydrophobicContact CB-CB 4.18Å; I6-D95 HydrophobicContact CG2-CB 3.91Å; I6-D95 WeakPolarHBondContact CG2-OD1 3.32Å; L91-D95 HydrophobicContact CB-CB 4.23Å; L91-D95 HydrophobicContact CD2-CB 4.34Å; S92-D95 VanDerWaalsContact CB-OD2 3.28Å; S92-D95 WeakPolarHBondContact CB-OD2 3.45Å; S92-D95 PolarHBondContact N-OD2 3.28Å; S92-D95 VanDerWaalsContact N-OD2 3.15Å; S92-D95 PolarHBondContact O-N 2.71Å; S92-D95 PolarHBondContact OG-N 3.07Å; S92-D95 PolarHBondContact OG-OD2 3.24Å; D95-L99 WeakPolarHBondContact O-CB 3.41Å; D95-L99 PolarHBondContact O-N 2.84Å
96	I	86.9	Confident	84.3	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-41	-177.9	-165.4	73.7	0	0	0	111.6	V66 H74 L76 L91 S92 S93 L99 K100	V66-I96 HydrophobicContact CG1-CD1 3.85Å; V66-I96 HydrophobicContact CG1-CG1 3.56Å; V66-I96 HydrophobicContact CG2-CD1 3.96Å; V66-I96 HydrophobicContact CG2-CG1 4.08Å; H74-I96 HydrophobicContact CB-CB 3.85Å; H74-I96 HydrophobicContact CB-CD1 3.87Å; H74-I96 HydrophobicContact CB-CG1 3.71Å; H74-I96 HydrophobicContact CB-CG2 4.04Å; L76-I96 HydrophobicContact CB-CD1 3.67Å; L76-I96 HydrophobicContact CD1-CD1 3.75Å; L76-I96 HydrophobicContact CG-CD1 4.26Å; L91-I96 HydrophobicContact CB-CB 4.47Å; L91-I96 HydrophobicContact CD1-CD1 3.68Å; S92-I96 PolarHBondContact O-N 3.13Å; S93-I96 VanDerWaalsContact O-CG2 3.3Å; S93-I96 WeakPolarHBondContact O-CG2 3.19Å; I96-L99 PolarHBondContact O-N 2.81Å; I96-K100 WeakPolarHBondContact O-CB 3.41Å; I96-K100 PolarHBondContact O-N 3.03Å
97	E	84.2	Confident	83.1	Confident	138 Å²	138	48.1 Å²	48.1	65%	0.645	26%	0.261	S	S	*	.	H	α-helix	trans	-63.6	-49.1	177.2	-75.9	174.8	-169.9	0	0	111.1	S93 L99 K100 A101	S93-E97 VanDerWaalsContact O-CG 3.31Å; S93-E97 WeakPolarHBondContact O-CG 3.45Å; S93-E97 PolarHBondContact O-N 3.45Å; E97-L99 PolarHBondContact O-N 3.42Å; E97-K100 PolarHBondContact O-N 3.29Å; E97-A101 VanDerWaalsContact O-CB 3.26Å; E97-A101 WeakPolarHBondContact O-CB 3.42Å; E97-A101 PolarHBondContact O-N 3.26Å
98	Q	85.7	Confident	81.4	Confident	104 Å²	104	52.7 Å²	52.7	49%	0.486	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-44.9	176.7	-73	174.1	62.8	0	0	111.9	I4 A94 F102	I4-Q98 HydrophobicContact CD1-CB 4.44Å; I4-Q98 WeakPolarHBondContact CD1-O 3.11Å; A94-Q98 WeakPolarHBondContact O-CB 3.47Å; A94-Q98 VanDerWaalsContact O-CG 3.26Å; A94-Q98 WeakPolarHBondContact O-CG 3.35Å; A94-Q98 PolarHBondContact O-N 2.85Å; A94-Q98 PolarHBondContact O-NE2 2.8Å; Q98-F102 WeakPolarHBondContact O-CB 3.43Å; Q98-F102 PolarHBondContact O-N 3.11Å
99	L	86.8	Confident	79.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-44.5	-180	180	60.5	0	0	0	111.9	I6 I33 M42 L76 I88 L91 D95 I96 E97 F102 L103	I6-L99 HydrophobicContact CD1-CB 4.27Å; I6-L99 HydrophobicContact CD1-CD1 4.45Å; I6-L99 HydrophobicContact CD1-CD2 3.78Å; I6-L99 HydrophobicContact CD1-CG 4.39Å; I33-L99 HydrophobicContact CD1-CD1 3.68Å; M42-L99 HydrophobicContact CE-CD1 3.7Å; L76-L99 HydrophobicContact CD1-CD2 3.82Å; L76-L99 HydrophobicContact CD1-CG 3.97Å; L76-L99 HydrophobicContact CD2-CD2 4.33Å; L76-L99 HydrophobicContact CG-CD2 4.45Å; I88-L99 HydrophobicContact CD1-CD2 4.1Å; L91-L99 HydrophobicContact CD1-CD2 3.8Å; D95-L99 WeakPolarHBondContact O-CB 3.41Å; D95-L99 PolarHBondContact O-N 2.84Å; I96-L99 PolarHBondContact O-N 2.81Å; E97-L99 PolarHBondContact O-N 3.42Å; L99-F102 PolarHBondContact O-N 3.48Å; L99-L103 HydrophobicContact CD1-CD1 3.92Å; L99-L103 HydrophobicContact CD1-CG 4.24Å; L99-L103 HydrophobicContact CG-CD1 3.92Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.45Å; L99-L103 PolarHBondContact O-N 2.93Å
100	K	87.1	Confident	77.7	Confident	75 Å²	75	58.6 Å²	58.6	33%	0.326	32%	0.322	S	S	.	.	H	α-helix	trans	-66.7	-50.3	-179.5	-166.5	-160.1	180	-57.2	0	110.9	V64 V66 I96 E97 F102 L103 D104	V64-K100 HydrophobicContact CG1-CG 4.31Å; V66-K100 HydrophobicContact CG2-CB 4.49Å; V66-K100 HydrophobicContact CG2-CD 4.07Å; V66-K100 HydrophobicContact CG2-CG 4.16Å; I96-K100 WeakPolarHBondContact O-CB 3.41Å; I96-K100 PolarHBondContact O-N 3.03Å; E97-K100 PolarHBondContact O-N 3.29Å; K100-F102 PolarHBondContact O-N 2.92Å; K100-L103 PolarHBondContact O-N 2.78Å; K100-D104 IonicContact NZ-OD1 3.1Å; K100-D104 PolarHBondContact NZ-OD1 2.85Å; K100-D104 IonicContact NZ-OD2 3.01Å; K100-D104 PolarHBondContact NZ-OD2 2.87Å; K100-D104 WeakPolarHBondContact O-CB 3.29Å; K100-D104 PolarHBondContact O-N 2.94Å
101	A	84.9	Confident	75.5	Confident	61 Å²	61	58.3 Å²	58.3	50%	0.504	33%	0.331	S	S	.	.	H	α-helix	trans	-58	-35.5	179.3	0	0	0	0	0	112.4	E97 L105	E97-A101 VanDerWaalsContact O-CB 3.26Å; E97-A101 WeakPolarHBondContact O-CB 3.42Å; E97-A101 PolarHBondContact O-N 3.26Å; A101-L105 PolarHBondContact O-N 2.86Å
102	F	84.3	Confident	73	Confident	15 Å²	15	67.5 Å²	67.5	7%	0.066	37%	0.373	C	S	.	.	H	α-helix	trans	-68.6	-45.2	173.2	-173.4	-77.3	0	0	0	112.7	M1 I4 I33 V40 L57 Q98 L99 K100 L105 A106	M1-F102 HydrophobicContact CB-CE2 4.29Å; M1-F102 HydrophobicContact CE-CD2 3.74Å; M1-F102 HydrophobicContact CE-CE2 4.21Å; M1-F102 HydrophobicContact CG-CE2 4.49Å; M1-F102 HydrophobicContact SD-CD2 3.64Å; M1-F102 HydrophobicContact SD-CE2 3.45Å; M1-F102 WeakPolarHBondContact SD-CE2 3.27Å; M1-F102 HydrophobicContact SD-CZ 4.41Å; I4-F102 HydrophobicContact CD1-CB 3.51Å; I4-F102 HydrophobicContact CD1-CD2 3.82Å; I4-F102 HydrophobicContact CD1-CG 3.79Å; I33-F102 HydrophobicContact CD1-CD1 3.69Å; I33-F102 HydrophobicContact CD1-CE1 4.11Å; I33-F102 HydrophobicContact CD1-CG 4.15Å; I33-F102 HydrophobicContact CG2-CD1 4.14Å; I33-F102 HydrophobicContact CG2-CE1 3.55Å; I33-F102 HydrophobicContact CG2-CE2 3.98Å; I33-F102 HydrophobicContact CG2-CZ 3.48Å; I33-F102 VanDerWaalsContact CG2-CZ 3.48Å; V40-F102 HydrophobicContact CG1-CE1 3.53Å; V40-F102 HydrophobicContact CG1-CZ 3.51Å; V40-F102 HydrophobicContact CG2-CZ 4.49Å; L57-F102 HydrophobicContact CD1-CE1 4.08Å; Q98-F102 WeakPolarHBondContact O-CB 3.43Å; Q98-F102 PolarHBondContact O-N 3.11Å; L99-F102 PolarHBondContact O-N 3.48Å; K100-F102 PolarHBondContact O-N 2.92Å; F102-L105 PolarHBondContact O-N 3.43Å; F102-A106 WeakPolarHBondContact O-CB 3.27Å; F102-A106 PolarHBondContact O-N 3.44Å
103	L	85.2	Confident	70.4	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-68.8	-35	-179.8	-71.1	169.2	0	0	0	112.5	M42 L57 V61 V64 L76 L78 L99 K100 A106 H107	M42-L103 HydrophobicContact CE-CD1 4.42Å; M42-L103 HydrophobicContact CE-CD2 4.1Å; L57-L103 HydrophobicContact CD1-CD2 3.78Å; L57-L103 HydrophobicContact CD2-CD2 3.94Å; L57-L103 HydrophobicContact CG-CD2 4.46Å; V61-L103 HydrophobicContact CG2-CD2 4.28Å; V64-L103 HydrophobicContact CG1-CD1 4.22Å; V64-L103 HydrophobicContact CG2-CB 3.81Å; V64-L103 HydrophobicContact CG2-CD1 4.34Å; L76-L103 HydrophobicContact CD1-CD1 4.12Å; L76-L103 HydrophobicContact CD2-CD1 3.92Å; L78-L103 HydrophobicContact CD1-CD1 4.5Å; L78-L103 HydrophobicContact CD1-CD2 4.31Å; L78-L103 HydrophobicContact CD2-CD1 4.23Å; L78-L103 HydrophobicContact CD2-CD2 4.02Å; L99-L103 HydrophobicContact CD1-CD1 3.92Å; L99-L103 HydrophobicContact CD1-CG 4.24Å; L99-L103 HydrophobicContact CG-CD1 3.92Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.45Å; L99-L103 PolarHBondContact O-N 2.93Å; K100-L103 PolarHBondContact O-N 2.78Å; L103-A106 CarbonylContact O-C 3.54Å; L103-A106 PolarHBondContact O-N 2.78Å; L103-H107 PolarHBondContact O-N 3.32Å
104	D	80.7	Confident	68.2	Low	55 Å²	55	75.8 Å²	75.8	29%	0.294	42%	0.416	S	S	.	.	H	α-helix	trans	-62.7	-45.2	172.9	-64.4	-25.2	0	0	0	110.4	K100 A106 H107 L108	K100-D104 IonicContact NZ-OD1 3.1Å; K100-D104 PolarHBondContact NZ-OD1 2.85Å; K100-D104 IonicContact NZ-OD2 3.01Å; K100-D104 PolarHBondContact NZ-OD2 2.87Å; K100-D104 WeakPolarHBondContact O-CB 3.29Å; K100-D104 PolarHBondContact O-N 2.94Å; D104-A106 VanDerWaalsContact C-N 3.32Å; D104-A106 PolarHBondContact O-N 2.79Å; D104-H107 WeakPolarHBondContact O-CA 3.48Å; D104-H107 WeakPolarHBondContact O-CB 3.21Å; D104-H107 PolarHBondContact O-N 2.88Å; D104-L108 WeakPolarHBondContact O-CG 3.46Å; D104-L108 PolarHBondContact O-N 2.86Å
105	L	74.6	Confident	65.7	Low	96 Å²	96	81 Å²	81	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-64.8	-35.9	175.9	-167.8	69.9	0	0	0	112.2	M1 A101 F102 H107 L108	M1-L105 HydrophobicContact CE-CD2 3.58Å; M1-L105 HydrophobicContact SD-CD2 3.79Å; A101-L105 PolarHBondContact O-N 2.86Å; F102-L105 PolarHBondContact O-N 3.43Å; L105-H107 PolarHBondContact O-N 2.86Å; L105-L108 PolarHBondContact O-N 2.96Å
106	A	68.4	Low	62.8	Low	15 Å²	15	86 Å²	86	12%	0.124	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.4	173.1	0	0	0	0	0	114	F102 L103 D104	F102-A106 WeakPolarHBondContact O-CB 3.27Å; F102-A106 PolarHBondContact O-N 3.44Å; L103-A106 CarbonylContact O-C 3.54Å; L103-A106 PolarHBondContact O-N 2.78Å; D104-A106 VanDerWaalsContact C-N 3.32Å; D104-A106 PolarHBondContact O-N 2.79Å
107	H	62.8	Low	60.1	Low	89 Å²	89	90.9 Å²	90.9	41%	0.412	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-29	171.6	-169.6	-45	0	0	0	111.7	V61 L103 D104 L105 S109	V61-H107 HydrophobicContact CG1-CB 4.47Å; L103-H107 PolarHBondContact O-N 3.32Å; D104-H107 WeakPolarHBondContact O-CA 3.48Å; D104-H107 WeakPolarHBondContact O-CB 3.21Å; D104-H107 PolarHBondContact O-N 2.88Å; L105-H107 PolarHBondContact O-N 2.86Å; H107-S109 VanDerWaalsContact C-N 3.27Å; H107-S109 PolarHBondContact O-N 3.27Å
108	L	53.3	Low	57.4	Low	111 Å²	111	92.1 Å²	92.1	58%	0.581	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-76.7	-5.5	-179.8	-74	166.3	0	0	0	114.4	D104 L105 D110 T111	D104-L108 WeakPolarHBondContact O-CG 3.46Å; D104-L108 PolarHBondContact O-N 2.86Å; L105-L108 PolarHBondContact O-N 2.96Å; L108-D110 PolarHBondContact O-N 2.98Å; L108-T111 PolarHBondContact O-OG1 3.18Å
109	S	52	Low	54.6	Low	68 Å²	68	97.7 Å²	97.7	48%	0.476	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-79.5	7.5	178.2	68.2	0	0	0	0	115.1	H107	H107-S109 VanDerWaalsContact C-N 3.27Å; H107-S109 PolarHBondContact O-N 3.27Å
110	D	48.2	Very low	51.8	Low	87 Å²	87	106.8 Å²	106.8	47%	0.465	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-96.6	8.9	176.3	-96.4	-16.7	0	0	0	112.5	N59 K81 L108	N59-D110 PolarHBondContact ND2-OD1 2.86Å; K81-D110 IonicContact NZ-OD2 2.71Å; K81-D110 PolarHBondContact NZ-OD2 2.95Å; L108-D110 PolarHBondContact O-N 2.98Å
111	T	38.3	Very low	49.1	Very low	114 Å²	114	110.3 Å²	110.3	70%	0.699	58%	0.577	S	S	*	*			trans	-128.1	30.7	-173.2	56.3	0	0	0	0	116.6	L108	L108-T111 PolarHBondContact O-OG1 3.18Å
112	Q	31.8	Very low	46.3	Very low	192 Å²	192	115 Å²	115	90%	0.897	59%	0.589	S	S	*	*			trans	-121	102.9	161.1	-81	-168.4	-28.6	0	0	110.7
113	D	30.7	Very low	43.4	Very low	162 Å²	162	122.8 Å²	122.8	87%	0.866	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-95	126.6	163.8	-151	9.9	0	0	0	107
114	P	36.1	Very low	40.5	Very low	113 Å²	113	129.3 Å²	129.3	73%	0.734	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-81.6	150.8	-171.5	31.9	-35	0	0	0	113.4
115	D	30	Very low	37.8	Very low	158 Å²	158	134.9 Å²	134.9	85%	0.845	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-56.9	138.4	-176.6	-58.8	-90.4	0	0	0	115.2
116	D	26.3	Very low	35.3	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	70%	0.697	S	S	*	*			trans	-110.4	99.5	151.2	-178.2	8.6	0	0	0	110.1	M118	D116-M118 PolarHBondContact O-N 2.87Å
117	P	31.3	Very low	33.3	Very low	109 Å²	109	137.2 Å²	137.2	71%	0.708	73%	0.73	S	S	*	*			trans	-99	64	-171.9	38	-35.2	0	0	0	113.8
118	M	27.8	Very low	31.5	Very low	164 Å²	164	141.8 Å²	141.8	81%	0.808	75%	0.751	S	S	*	*			trans	-128.1	94.4	174.3	-82.5	-105.8	80.3	0	0	114.4	D116	D116-M118 PolarHBondContact O-N 2.87Å
119	R	26.2	Very low	30.6	Very low	221 Å²	221	141.6 Å²	141.6	83%	0.834	76%	0.757	S	S	*	*				156.1	121.2	111.2	-169.8	171	-168.5	178.8	3.1	112.7
120	K	28.5	Very low	29.3	Very low	192 Å²	192	147.1 Å²	147.1	84%	0.835	77%	0.772	S	S	*	*			trans	-88.6	135.3	164.5	-67.6	-180	178	179.3	0	110.1
121	Q	28.9	Very low	28.2	Very low	148 Å²	148	148.1 Å²	148.1	69%	0.692	79%	0.785	S	S	*	*			trans	160.2	140.8	149.9	-94.4	176.4	-56.6	0	0	108.5
122	E	26.5	Very low	27.6	Very low	160 Å²	160	150.8 Å²	150.8	75%	0.748	79%	0.787	S	S	*	*			cis	-151.2	180	-1.2	-152	144	-128.5	0	0	112.5
123	F	23.4	Very low	27.3	Very low	178 Å²	178	150.8 Å²	150.8	78%	0.781	78%	0.784	S	S	*	*			trans	-68.2	154.4	-173.1	-86.6	-80	0	0	0	117.2
124	L	24.5	Very low	27.1	Very low	138 Å²	138	152 Å²	152	72%	0.723	78%	0.784	S	S	*	*			trans	65.9	157.2	143.8	-62.3	164	0	0	0	117.7
125	E	23.8	Very low	26.8	Very low	171 Å²	171	151.9 Å²	151.9	80%	0.799	78%	0.783	S	S	*	*			cis	-153.5	155.1	1.1	-145.3	154.9	-151.2	0	0	113.1
126	G	23.7	Very low	26.6	Very low	80 Å²	80	152.1 Å²	152.1	83%	0.825	78%	0.779	S	S	*	*			trans	74.9	155.1	156.9	0	0	0	0	0	118.7
127	G	25.2	Very low	26.6	Very low	80 Å²	80	151.3 Å²	151.3	83%	0.825	78%	0.782	S	S	*	*			trans	142.3	-0.8	160.2	0	0	0	0	0	121.3
128	H	26.1	Very low	26.2	Very low	186 Å²	186	151.9 Å²	151.9	86%	0.861	78%	0.783	S	S	*	*			trans	-86.7	150.6	156.6	-84.4	-26.9	0	0	0	108.9
129	P	34.4	Very low	25.8	Very low	106 Å²	106	150 Å²	150	69%	0.688	79%	0.785	S	S	*	*			cis	-144	158.7	34.1	39.4	-20	0	0	0	118.9
130	F	24.1	Very low	25.7	Very low	184 Å²	184	143.3 Å²	143.3	81%	0.807	78%	0.784	S	S	*	*			trans	66.7	159.9	151.9	-80.9	-134.2	0	0	0	117.4
131	C	24.2	Very low	25.5	Very low	108 Å²	108	138.9 Å²	138.9	73%	0.73	78%	0.778	S	S	*	*			cis	-137.1	176.2	4.8	-154.5	0	0	0	0	113.7
132	K	27.1	Very low	25.2	Very low	170 Å²	170	136.4 Å²	136.4	74%	0.739	78%	0.777	S	S	*	*			trans	-73.8	163.9	-169.1	-56	165.5	179.5	176.1	0	115
133	K	25.3	Very low	25.2	Very low	193 Å²	193	136.9 Å²	136.9	84%	0.839	78%	0.779	S	S	*	*			trans	78.3	137.3	164.8	-54.4	-178.1	177.2	-175.5	0	116.7
134	H	25.5	Very low	25.2	Very low	188 Å²	188	134.4 Å²	134.4	87%	0.87	78%	0.779	S	S	*	*				-139.9	155.1	118.6	-106	-85.3	0	0	0	109.5
135	P	31	Very low	25.3	Very low	110 Å²	110	132 Å²	132	71%	0.714	78%	0.779	S	S	*	*			trans	-105.3	-151.5	-173.7	42.7	-34.7	0	0	0	112.1
136	E	24.7	Very low	25.4	Very low	162 Å²	162	131.7 Å²	131.7	76%	0.757	78%	0.778	S	S	*	*			trans	-46.3	152.2	174.9	-55.8	177.6	159.4	0	0	115.5
137	P	26	Very low	25.6	Very low	130 Å²	130	133.7 Å²	133.7	84%	0.844	77%	0.765	S	S	*	*			trans	-95.1	111	152	34	-25.3	0	0	0	111.3
138	V	22.9	Very low	25.7	Very low	121 Å²	121	138.6 Å²	138.6	73%	0.733	76%	0.759	S	S	*	*			trans	-125.6	142.1	156.7	178.7	0	0	0	0	108.2
139	C	20.8	Very low	25.7	Very low	124 Å²	124	137.4 Å²	137.4	84%	0.838	75%	0.754	S	S	*	*			trans	79.6	155.4	173.8	-146.3	0	0	0	0	117.7
140	G	24	Very low	25.4	Very low	80 Å²	80	136.7 Å²	136.7	83%	0.825	76%	0.757	S	S	*	*			trans	157.5	83.6	-172.7	0	0	0	0	0	110
141	S	23.8	Very low	26.2	Very low	100 Å²	100	133.3 Å²	133.3	70%	0.699	75%	0.753	S	S	*	*			trans	-108	173.3	-164.4	57.1	0	0	0	0	115
142	S	23	Very low	26.4	Very low	96 Å²	96	136.3 Å²	136.3	67%	0.671	76%	0.761	S	S	*	*			trans	71.9	141.4	177.6	-71.2	0	0	0	0	115.6
143	E	24.8	Very low	27.6	Very low	169 Å²	169	134.1 Å²	134.1	79%	0.79	77%	0.765	S	S	*	*			cis	-157.7	-175.2	-8.4	-120.1	166.2	-94.3	0	0	108.5
144	T	24.9	Very low	27.6	Very low	126 Å²	126	128.3 Å²	128.3	77%	0.773	76%	0.759	S	S	*	*			cis	-136.1	169.8	24.9	48.6	0	0	0	0	113.1
145	A	25.8	Very low	27.8	Very low	89 Å²	89	129.6 Å²	129.6	74%	0.736	76%	0.762	S	S	*	*			trans	-18.2	145.6	169.1	0	0	0	0	0	118.6
146	Q	25.9	Very low	27.6	Very low	164 Å²	164	131.8 Å²	131.8	77%	0.766	77%	0.765	S	S	*	*				-158.4	153.3	60.7	-119.8	177.5	-63.2	0	0	115
147	E	27.2	Very low	28.3	Very low	121 Å²	121	129.5 Å²	129.5	57%	0.565	76%	0.764	S	S	*	*			trans	22.7	139.6	143.4	-64.4	177.7	112.1	0	0	120.9
148	R	28.2	Very low	28.3	Very low	184 Å²	184	130.1 Å²	130.1	69%	0.694	76%	0.759	S	S	*	*			cis	-168.6	158.6	13.6	-118.6	167.1	-157	-117.8	9.5	113.6
149	E	25.6	Very low	28.5	Very low	161 Å²	161	129.9 Å²	129.9	75%	0.752	76%	0.763	S	S	*	*			trans	66.3	147.3	147.9	-71.6	161.7	-143.3	0	0	122.4
150	A	28.1	Very low	28.6	Very low	91 Å²	91	131.9 Å²	131.9	75%	0.752	77%	0.765	S	S	*	*			trans	-146	167.6	174.2	0	0	0	0	0	107.7
151	P	40.8	Very low	28.7	Very low	112 Å²	112	131.9 Å²	131.9	73%	0.727	76%	0.757	S	S	*	*				-164.2	156.7	81.5	41.4	-19.2	0	0	0	120.5
152	L	30.1	Very low	28.8	Very low	171 Å²	171	136.9 Å²	136.9	90%	0.895	77%	0.766	S	S	*	*			trans	69.1	164.8	138.9	-68	171.7	0	0	0	122.8
153	P	51.1	Low	29.1	Very low	125 Å²	125	137 Å²	137	81%	0.812	77%	0.767	S	S	*	*			trans	-125.4	-175.3	-155.4	45.5	-33.5	0	0	0	117.1
154	G	25.6	Very low	29.1	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	77%	0.768	S	S	*	*			trans	-155.8	105.1	176.6	0	0	0	0	0	119.5
155	K	28.8	Very low	29.2	Very low	216 Å²	216	134.1 Å²	134.1	94%	0.939	77%	0.765	S	S	*	*			trans	49.1	138.3	136.1	-61.1	179.7	179.4	176.5	0	124.5
156	M	27	Very low	29.2	Very low	156 Å²	156	140.9 Å²	140.9	77%	0.768	77%	0.771	S	S	*	*			trans	-59	172.3	152.9	-79.2	-179.3	76.5	0	0	113.3	L158	M156-L158 HydrophobicContact CE-CD1 4.38Å; M156-L158 HydrophobicContact CE-CG 4.22Å
157	P	39.9	Very low	29.3	Very low	113 Å²	113	143.4 Å²	143.4	73%	0.734	78%	0.776	S	S	*	*			cis	-153.9	169.3	34.6	44.9	-23.1	0	0	0	122.2
158	L	26.3	Very low	29.2	Very low	143 Å²	143	141.9 Å²	141.9	75%	0.749	78%	0.784	S	S	*	*			trans	15.7	160.7	141.3	-66	164.5	0	0	0	125	M156	M156-L158 HydrophobicContact CE-CD1 4.38Å; M156-L158 HydrophobicContact CE-CG 4.22Å
159	S	25.9	Very low	29.1	Very low	117 Å²	117	142.6 Å²	142.6	82%	0.818	79%	0.792	S	S	*	*			trans	93.3	151.1	150.3	78.5	0	0	0	0	119
160	L	24.8	Very low	29.2	Very low	166 Å²	166	143.3 Å²	143.3	87%	0.869	79%	0.793	S	S	*	*			cis	-169.5	159.7	-27.1	179.6	63.6	0	0	0	109.5
161	A	25.3	Very low	29.1	Very low	80 Å²	80	145 Å²	145	66%	0.661	79%	0.789	S	S	*	*			trans	71.3	136.6	169.2	0	0	0	0	0	116.4
162	K	26.4	Very low	28.4	Very low	204 Å²	204	149.4 Å²	149.4	89%	0.887	80%	0.796	S	S	*	*				62.7	132.3	55.6	-63.6	-175.3	177.3	-179.4	0	111.1
163	S	28.1	Very low	28.2	Very low	100 Å²	100	146 Å²	146	70%	0.699	79%	0.793	S	S	*	*			cis	-170	151.3	33.2	50.6	0	0	0	0	115.7
164	T	25.2	Very low	27.1	Very low	133 Å²	133	148.2 Å²	148.2	82%	0.816	79%	0.792	S	S	*	*			trans	53.6	144.1	138.3	58.6	0	0	0	0	125.1
165	S	26.5	Very low	27.1	Very low	101 Å²	101	153.2 Å²	153.2	71%	0.706	79%	0.794	S	S	*	*			trans	117.3	109.1	150.4	-162.4	0	0	0	0	113
166	R	27.4	Very low	27.1	Very low	230 Å²	230	149.7 Å²	149.7	87%	0.868	78%	0.781	S	S	*	*				76.6	150.5	61.2	-74.1	-166.5	-179.7	-175.3	3.1	114.4
167	Y	26	Very low	27	Very low	218 Å²	218	148 Å²	148	86%	0.855	77%	0.774	S	S	*	*			trans	73.9	142.5	-172.4	-61.7	-95.4	0	0	0	115.1
168	A	27.1	Very low	26.4	Very low	89 Å²	89	152.4 Å²	152.4	74%	0.736	78%	0.782	S	S	*	*			cis	-161.2	163.4	-20.4	0	0	0	0	0	112.5
169	K	25.9	Very low	26.4	Very low	199 Å²	199	154.7 Å²	154.7	87%	0.865	79%	0.786	S	S	*	*			trans	-24.9	139.3	168.3	-56.9	167.9	178.1	177.9	0	116.6
170	K	27.2	Very low	26.6	Very low	176 Å²	176	161.3 Å²	161.3	77%	0.765	79%	0.792	S	S	*	*				-172.1	147	107.3	-108.3	176.8	162	-90.4	0	116.3
171	D	26.6	Very low	26.8	Very low	126 Å²	126	162.5 Å²	162.5	67%	0.674	79%	0.791	S	S	*	*			trans	57.7	135.2	142.7	-56.3	-18	0	0	0	124.9
172	K	25.1	Very low	26.9	Very low	204 Å²	204	169.9 Å²	169.9	89%	0.887	80%	0.802	S	S	*	*			trans	-62.9	154.6	169.9	-47.2	161	177.7	179	0	112.7
173	A	25.4	Very low	26.7	Very low	99 Å²	99	168.9 Å²	168.9	82%	0.818	80%	0.802	S	S	*	*				-167.6	150.8	126.2	0	0	0	0	0	111.9
174	E	28.1	Very low	26.7	Very low	172 Å²	172	168.9 Å²	168.9	80%	0.804	81%	0.808	S	S	*	*			trans	-89.3	152.3	169.5	-52.6	140	108.5	0	0	110.7
175	K	26.2	Very low	26.7	Very low	175 Å²	175	167 Å²	167	76%	0.761	81%	0.806	S	S	*	*				171.4	127.3	111.7	-95.3	176.8	179.1	-178.6	0	116.9
176	E	27.7	Very low	27.1	Very low	143 Å²	143	167.8 Å²	167.8	67%	0.668	81%	0.809	S	S	*	*				44.8	121.3	128.9	-66.6	-166.7	118	0	0	124.4
177	I	26.4	Very low	26.9	Very low	119 Å²	119	161.4 Å²	161.4	61%	0.61	80%	0.799	S	S	*	*				62.7	114.5	125.1	-52.7	168.6	0	0	0	119.4
178	K	26.5	Very low	27	Very low	207 Å²	207	157.7 Å²	157.7	90%	0.9	80%	0.799	S	S	*	*				-161.6	126.1	117.4	-109.1	153.9	-165.6	166.2	0	117.2
179	K	27.3	Very low	26.9	Very low	191 Å²	191	160.3 Å²	160.3	83%	0.83	80%	0.801	S	S	*	*			trans	-52.9	153.9	175	-57.8	158.5	177.2	172	0	115.1
180	R	29.3	Very low	27	Very low	255 Å²	255	157.8 Å²	157.8	96%	0.962	80%	0.802	S	S	*	*			trans	-136.5	168	143.7	-102.7	177.2	177.1	161.4	-0.1	110.9
181	K	28.2	Very low	26.9	Very low	191 Å²	191	157.9 Å²	157.9	83%	0.83	81%	0.805	S	S	*	*			trans	-124.9	152.2	-162.1	-75.8	-179.7	173.1	178.5	0	113.6
182	R	27.2	Very low	27	Very low	236 Å²	236	159.5 Å²	159.5	89%	0.891	81%	0.808	S	S	*	*			trans	32.9	132.4	142.7	-67.5	-176.9	172.2	-175	-4.4	120.3
183	M	24.1	Very low	27	Very low	183 Å²	183	158.2 Å²	158.2	90%	0.901	81%	0.806	S	S	*	*				-148.8	132.1	103.1	-64.6	-152.7	85.6	0	0	106.3
184	A	26.3	Very low	27.1	Very low	99 Å²	99	159.4 Å²	159.4	82%	0.818	80%	0.797	S	S	*	*				85.5	133.3	63.6	0	0	0	0	0	113.5
185	A	25.2	Very low	26.9	Very low	93 Å²	93	158.2 Å²	158.2	77%	0.769	80%	0.795	S	S	*	*			trans	-109.1	174.7	-168	0	0	0	0	0	113.8
186	P	34.9	Very low	26.8	Very low	118 Å²	118	155.9 Å²	155.9	77%	0.766	80%	0.796	S	S	*	*				-128.5	144.4	108.7	10.1	11.4	0	0	0	111.4
187	S	24.5	Very low	26.7	Very low	97 Å²	97	157.1 Å²	157.1	68%	0.678	80%	0.801	S	S	*	*			cis	85.5	104.6	45.6	79.9	0	0	0	0	115.1
188	V	26.8	Very low	26.6	Very low	140 Å²	140	161.8 Å²	161.8	85%	0.848	82%	0.818	S	S	*	*			trans	-145.6	129.6	155.9	179.2	0	0	0	0	106.7
189	D	25.5	Very low	26.5	Very low	143 Å²	143	156.5 Å²	156.5	77%	0.765	81%	0.807	S	S	*	*			trans	-108.7	145.6	-177	-52.9	-74.9	0	0	0	111.4
190	V	28.8	Very low	26.5	Very low	146 Å²	146	153 Å²	153	89%	0.885	80%	0.804	S	S	*	*			trans	-144.6	124.3	157.4	-177.1	0	0	0	0	109
191	E	24.8	Very low	26.2	Very low	178 Å²	178	149.2 Å²	149.2	83%	0.832	80%	0.797	S	S	*	*			trans	-79.6	168.4	178.3	-69.2	157.5	148.4	0	0	112.2
192	E	27.9	Very low	26.2	Very low	161 Å²	161	146 Å²	146	75%	0.752	80%	0.796	S	S	*	*			cis	-164.1	-149.1	-31.6	-157.1	-176.1	-159.5	0	0	106.9	I194	E192-I194 HydrophobicContact CG-CD1 4.05Å
193	E	26	Very low	26.2	Very low	177 Å²	177	142 Å²	142	83%	0.827	79%	0.787	S	S	*	*			trans	61.9	103.7	177.1	-56.5	-158.9	133.4	0	0	117.1
194	I	27.1	Very low	26.2	Very low	123 Å²	123	143 Å²	143	63%	0.631	79%	0.786	S	S	*	*			cis	92.3	104.3	34.4	-55.3	160.3	0	0	0	113.8	E192	E192-I194 HydrophobicContact CG-CD1 4.05Å
195	L	24.8	Very low	26.2	Very low	147 Å²	147	147.8 Å²	147.8	77%	0.77	79%	0.789	S	S	*	*				179.8	126.1	117.1	-97	-176	0	0	0	115.6
196	T	24.2	Very low	26.2	Very low	127 Å²	127	154.1 Å²	154.1	78%	0.779	80%	0.795	S	S	*	*			trans	62.9	134.9	147.4	45.4	0	0	0	0	123.6
197	E	24.6	Very low	25.6	Very low	168 Å²	168	157.7 Å²	157.7	79%	0.785	80%	0.798	S	S	*	*			trans	-85.2	166.7	173.4	-50	159.6	117.6	0	0	112.5
198	F	24.2	Very low	25.6	Very low	217 Å²	217	160.8 Å²	160.8	95%	0.952	81%	0.805	S	S	*	*			trans	-139.3	118.3	137	-95.8	-76.2	0	0	0	109.4
199	S	24.8	Very low	25.4	Very low	96 Å²	96	159.4 Å²	159.4	67%	0.671	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-103.1	142.9	-179.2	-170.2	0	0	0	0	111
200	P	26.2	Very low	25.3	Very low	119 Å²	119	159.6 Å²	159.6	77%	0.773	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.4	129.7	178.3	29.9	-33.9	0	0	0	112.2
201	E	24.1	Very low	25.1	Very low	175 Å²	175	158.3 Å²	158.3	82%	0.818	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-67	144.5	179.9	-63.4	-177.9	124.7	0	0	113.6
202	P	28.3	Very low	25.1	Very low	124 Å²	124	161.6 Å²	161.6	81%	0.805	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-74.5	141	176.8	30.9	-35	0	0	0	112.5
203	Q	26.9	Very low	25	Very low	151 Å²	151	159.3 Å²	159.3	71%	0.706	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.4	147.2	176.6	-67.6	-178.5	-21.6	0	0	112.2	K205	Q203-K205 PolarHBondContact O-N 2.87Å
204	K	24.3	Very low	24.9	Very low	203 Å²	203	160.6 Å²	160.6	88%	0.883	81%	0.806	S	S	*	*			trans	-66.6	111.3	-176.8	-65.1	175	-179	174.3	0	111.3
205	K	27.1	Very low	24.8	Very low	201 Å²	201	166.8 Å²	166.8	87%	0.874	82%	0.821	S	S	*	*			trans	-80.7	135.5	162.9	-68	-172	177.1	-175.9	0	110	Q203	Q203-K205 PolarHBondContact O-N 2.87Å
206	Y	24.6	Very low	24.7	Very low	226 Å²	226	163.1 Å²	163.1	89%	0.886	82%	0.818	S	S	*	*			trans	-67.4	140.9	176.4	-74.3	-107.8	0	0	0	110.5	I208	Y206-I208 PolarHBondContact O-N 3.47Å
207	K	22.4	Very low	24.7	Very low	193 Å²	193	167.6 Å²	167.6	84%	0.839	83%	0.827	S	S	*	*			trans	-87.2	104.4	178.2	-76.6	-174.5	176.3	-179.7	0	110.9	C209	K207-C209 PolarHBondContact O-N 2.76Å
208	I	24.8	Very low	24.6	Very low	162 Å²	162	162.9 Å²	162.9	83%	0.831	82%	0.824	S	S	*	*			trans	-78.5	109.4	162	-60.1	176.4	0	0	0	107.7	Y206	Y206-I208 PolarHBondContact O-N 3.47Å
209	C	21.8	Very low	24.6	Very low	110 Å²	110	162.1 Å²	162.1	74%	0.743	82%	0.823	S	S	*	*			trans	-95.5	107.5	179.9	-77.1	0	0	0	0	110.6	K207	K207-C209 PolarHBondContact O-N 2.76Å
210	N	23.5	Very low	24.4	Very low	148 Å²	148	167 Å²	167	79%	0.791	83%	0.833	S	S	*	*			trans	-98.8	113.2	-178.3	-152.3	-20.5	0	0	0	110.8	R212	N210-R212 PolarHBondContact O-N 3.37Å
211	P	25.6	Very low	24.7	Very low	119 Å²	119	166.7 Å²	166.7	77%	0.773	83%	0.831	S	S	*	*			trans	-81.4	117.5	-168.3	30.6	-34.4	0	0	0	113.3
212	R	24.9	Very low	24.5	Very low	247 Å²	247	167.5 Å²	167.5	93%	0.932	84%	0.837	S	S	*	*			trans	-97.2	115.2	169.9	-85.3	-174.9	169.7	171.2	-1.4	112.1	N210	N210-R212 PolarHBondContact O-N 3.37Å
213	S	23.9	Very low	24.3	Very low	112 Å²	112	166.7 Å²	166.7	78%	0.783	84%	0.84	S	S	*	*			trans	-65.4	139.7	174.7	179.1	0	0	0	0	113.1
214	K	25.8	Very low	24	Very low	205 Å²	205	165.2 Å²	165.2	89%	0.891	85%	0.846	S	S	*	*			trans	-140.2	136.1	157.4	-78.4	-167.8	175.3	-178.9	0	110.1
215	R	24.3	Very low	23.9	Very low	252 Å²	252	166.5 Å²	166.5	95%	0.951	85%	0.846	S	S	*	*			trans	-79	145.4	176.5	-76.3	176.2	163.5	179.5	-5.7	112
216	G	21.8	Very low	23.7	Very low	70 Å²	70	163.5 Å²	163.5	72%	0.722	84%	0.835	S	S	*	*				130.1	117.3	124.5	0	0	0	0	0	119.7
217	K	24.2	Very low	23.6	Very low	221 Å²	221	160.3 Å²	160.3	96%	0.961	83%	0.828	S	S	*	*			trans	69.5	131.8	151.5	-58	-174.5	174.7	-172	0	120.2
218	G	22.7	Very low	23.8	Very low	70 Å²	70	159.8 Å²	159.8	72%	0.722	83%	0.829	S	S	*	*				128.3	69	115.9	0	0	0	0	0	121.4
219	E	25	Very low	23.7	Very low	200 Å²	200	160.7 Å²	160.7	94%	0.935	83%	0.827	S	S	*	*			trans	69.4	-177.7	144.4	-55.6	-171.7	139	0	0	120.3
220	K	20.8	Very low	23.9	Very low	200 Å²	200	161 Å²	161	87%	0.87	83%	0.827	S	S	*	*			trans	-131.5	-169.1	-157.1	-42.5	175.4	178.5	173.4	0	110.6
221	P	33	Very low	23.9	Very low	112 Å²	112	159.3 Å²	159.3	73%	0.727	82%	0.822	S	S	*	*			cis	-135.8	173	-12.2	36.2	-16	0	0	0	116.8
222	M	19.8	Very low	23.7	Very low	192 Å²	192	160 Å²	160	95%	0.946	82%	0.82	S	S	*	*			trans	34.2	125.4	147.8	-67.5	-179.5	173.6	0	0	123
223	A	23.4	Very low	23.6	Very low	107 Å²	107	160.1 Å²	160.1	88%	0.884	82%	0.82	S	S	*	*			trans	-148.8	157.4	132	0	0	0	0	0	109.2
224	S	20.9	Very low	23.5	Very low	119 Å²	119	162.2 Å²	162.2	83%	0.832	82%	0.815	S	S	*	*			trans	-133.6	145.7	-170.1	52.4	0	0	0	0	114.1
225	R	22.5	Very low	23.3	Very low	231 Å²	231	159.5 Å²	159.5	87%	0.872	81%	0.81	S	S	*	*			trans	-165.3	167.9	132.6	-129.3	176.4	173.3	153.4	-1	113.6
226	E	22.1	Very low	23.1	Very low	138 Å²	138	154.8 Å²	154.8	65%	0.645	80%	0.799	S	S	*	*			trans	-82.5	-172.5	178.3	-44.5	128.4	93	0	0	110.4
227	Q	23	Very low	23.1	Very low	159 Å²	159	158.1 Å²	158.1	74%	0.743	81%	0.805	S	S	*	*			cis	-163.7	-173	23.4	-146.8	161.1	67.2	0	0	112.7
228	E	25.5	Very low	23	Very low	181 Å²	181	153.5 Å²	153.5	85%	0.846	80%	0.801	S	S	*	*			trans	101.7	145.6	163.4	-53.8	-159.4	157.9	0	0	119.7
229	K	22.5	Very low	23.1	Very low	182 Å²	182	157.6 Å²	157.6	79%	0.791	81%	0.805	S	S	*	*			trans	-129.9	163	-179	-50.1	173.4	-179.3	171.6	0	107.2
230	P	27.5	Very low	22.9	Very low	115 Å²	115	157.2 Å²	157.2	75%	0.747	81%	0.806	S	S	*	*				-141	147.8	82.5	40.4	-25.1	0	0	0	111.8
231	T	22.3	Very low	23.2	Very low	114 Å²	114	152 Å²	152	70%	0.699	80%	0.799	S	S	*	*				47	143.1	64.2	58.6	0	0	0	0	115
232	N	22	Very low	22.8	Very low	134 Å²	134	151.8 Å²	151.8	72%	0.717	80%	0.801	S	S	*	*			cis	-174	141.7	-21.5	173.7	28.7	0	0	0	104.9
233	W	21.9	Very low	23.2	Very low	248 Å²	248	146.7 Å²	146.7	94%	0.939	79%	0.789	S	S	*	*			trans	-143	122.1	155.5	76.6	-82.8	0	0	0	112.4
234	K	21.8	Very low	23.3	Very low	156 Å²	156	152.6 Å²	152.6	68%	0.678	79%	0.788	S	S	*	*			trans	-156.6	125.9	-179.9	-155.4	-163.7	-170.6	-159.1	0	105.7
235	L	21.7	Very low	23.5	Very low	148 Å²	148	158.8 Å²	158.8	78%	0.775	79%	0.794	S	S	*	*			trans	-179.3	106.1	157.4	-119.2	52.6	0	0	0	104.9
236	E	21.4	Very low	23.7	Very low	154 Å²	154	156.1 Å²	156.1	72%	0.72	79%	0.788	S	S	*	*				83.9	142.5	68	-75	177.8	-179	0	0	113.8
237	T	21.4	Very low	23.9	Very low	139 Å²	139	156.3 Å²	156.3	85%	0.853	80%	0.799	S	S	*	*			trans	-72	148	177.6	48.4	0	0	0	0	112.5
238	S	21.9	Very low	23.9	Very low	125 Å²	125	153.8 Å²	153.8	87%	0.874	79%	0.791	S	S	*	*			trans	-146.9	147.9	137.1	-161.9	0	0	0	0	111.8
239	L	23.9	Very low	23.9	Very low	155 Å²	155	153.2 Å²	153.2	81%	0.812	79%	0.793	S	S	*	*			trans	-101.7	146.6	176.1	-77.3	158.1	0	0	0	109.4
240	M	21.5	Very low	24	Very low	193 Å²	193	150.1 Å²	150.1	95%	0.951	79%	0.785	S	S	*	*			trans	-150.5	152.2	135.6	-98	-51.2	165.1	0	0	110.5
241	A	27.9	Very low	23.9	Very low	89 Å²	89	151.6 Å²	151.6	74%	0.736	79%	0.786	S	S	*	*			trans	-133.4	160	-175	0	0	0	0	0	111.9
242	S	24	Very low	24	Very low	108 Å²	108	151.6 Å²	151.6	76%	0.755	79%	0.787	S	S	*	*			trans	-166.7	121.3	162.6	-90.4	0	0	0	0	108.7
243	A	27.3	Very low	24.1	Very low	85 Å²	85	151.1 Å²	151.1	70%	0.702	79%	0.788	S	S	*	*				81.2	149.2	81.8	0	0	0	0	0	111.7
244	R	26.8	Very low	24.2	Very low	231 Å²	231	145.3 Å²	145.3	87%	0.872	78%	0.78	S	S	*	*			cis	-169.8	159.2	-6.1	-116.9	176.2	-172.1	-164.3	2.7	106.8
245	R	25.3	Very low	24.3	Very low	249 Å²	249	145.9 Å²	145.9	94%	0.94	79%	0.79	S	S	*	*				-175.4	146.3	127.2	-102.2	165.5	-161.1	-165.9	5.3	112.1
246	K	26.4	Very low	24.5	Very low	175 Å²	175	143.7 Å²	143.7	76%	0.761	79%	0.787	S	S	*	*			trans	-109.3	159.7	162.8	-77.7	-172.9	171.1	-167.7	0	108.2
247	T	26	Very low	24.7	Very low	142 Å²	142	143.2 Å²	143.2	87%	0.871	79%	0.794	S	S	*	*			trans	-138.6	126.1	138.6	42.2	0	0	0	0	108
248	N	23.3	Very low	24.9	Very low	107 Å²	107	145 Å²	145	57%	0.572	79%	0.793	S	S	*	*			trans	-88.8	158.3	162.5	-69.3	27.1	0	0	0	108.5
249	L	24.8	Very low	25	Very low	169 Å²	169	145 Å²	145	89%	0.885	79%	0.788	S	S	*	*				-153	151.8	125.3	-146.9	69.2	0	0	0	109.7
250	D	25.1	Very low	25	Very low	116 Å²	116	145.5 Å²	145.5	62%	0.62	79%	0.791	S	S	*	*			trans	-101.6	159.9	-171.7	-49.3	-89.2	0	0	0	110.6
251	D	24.3	Very low	25.2	Very low	146 Å²	146	141.1 Å²	141.1	78%	0.781	79%	0.785	S	S	*	*				-178.8	127.4	105.2	-115	-45.2	0	0	0	115
252	T	24.1	Very low	25.1	Very low	115 Å²	115	146.4 Å²	146.4	71%	0.706	80%	0.795	S	S	*	*			trans	32.5	133	132.2	-49.7	0	0	0	0	121.9
253	T	25.3	Very low	25.1	Very low	123 Å²	123	150.3 Å²	150.3	76%	0.755	80%	0.801	S	S	*	*				165.2	99.4	119.2	-65.3	0	0	0	0	115.1
254	V	24.8	Very low	24.9	Very low	126 Å²	126	157.5 Å²	157.5	76%	0.764	81%	0.81	S	S	*	*			trans	74.1	132.5	133.1	171.9	0	0	0	0	124.4
255	L	23.1	Very low	24.9	Very low	169 Å²	169	151.6 Å²	151.6	89%	0.885	80%	0.804	S	S	*	*			trans	70.5	149.6	157.3	-119.1	67.6	0	0	0	123
256	S	26	Very low	24.9	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	79%	0.794	S	S	*	*			trans	-122.3	153.9	-171.8	45.4	0	0	0	0	112.1
257	T	25.7	Very low	24.9	Very low	144 Å²	144	140.2 Å²	140.2	88%	0.883	79%	0.793	S	S	*	*			trans	-153.7	155.2	159.3	0.1	0	0	0	0	109
258	Q	25.8	Very low	25	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	79%	0.793	S	S	*	*			trans	-73.2	167.3	175.4	-64.3	133	-24.8	0	0	109.7
259	T	23.9	Very low	25	Very low	125 Å²	125	145.4 Å²	145.4	77%	0.767	80%	0.799	S	S	*	*			cis	-163.9	179.8	37.1	-37.8	0	0	0	0	110.3
260	L	24.4	Very low	25	Very low	164 Å²	164	144.7 Å²	144.7	86%	0.859	80%	0.796	S	S	*	*			trans	74.8	96.2	170.9	-57.3	173.8	0	0	0	115.8
261	A	25.8	Very low	25.1	Very low	102 Å²	102	146.6 Å²	146.6	84%	0.843	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-96.4	134.7	151.8	0	0	0	0	0	108.4
262	E	24.1	Very low	25.2	Very low	200 Å²	200	148.3 Å²	148.3	94%	0.935	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-88.5	117.3	172.2	-69.3	-172.4	118.2	0	0	110.4
263	E	24.2	Very low	25.5	Very low	190 Å²	190	148.2 Å²	148.2	89%	0.888	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.8	132	160.9	-67.6	-168.5	145.8	0	0	110.1
264	R	24.2	Very low	25.7	Very low	235 Å²	235	148.4 Å²	148.4	89%	0.887	81%	0.809	S	S	*	*			trans	-159.7	102.4	144.6	-113.9	162.7	-166.2	-156	0.8	113.6
265	S	25.7	Very low	25.8	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	81%	0.814	S	S	*	*			trans	22.6	103.1	140.9	59.1	0	0	0	0	117.7
266	G	25.3	Very low	26	Very low	70 Å²	70	146.1 Å²	146.1	72%	0.722	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.9	143.7	157.8	0	0	0	0	0	111
267	P	28.1	Very low	26.4	Very low	114 Å²	114	145.5 Å²	145.5	74%	0.74	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.5	142.6	-178.2	29.9	-34.6	0	0	0	112
268	K	26.2	Very low	26.6	Very low	198 Å²	198	145.3 Å²	145.3	86%	0.861	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70.2	128.5	168.7	-63	179.2	179.6	-178.6	0	109.3	N270	K268-N270 PolarHBondContact O-N 3.08Å
269	F	24.2	Very low	27.2	Very low	161 Å²	161	141.3 Å²	141.3	71%	0.706	78%	0.779	S	S	*	*			trans	-88.9	96.4	169.4	-107.3	-114.5	0	0	0	109.7	Q271	F269-Q271 HydrophobicContact CD1-CG 3.82Å; F269-Q271 VanDerWaalsContact CE1-CD 3.48Å; F269-Q271 HydrophobicContact CE1-CG 4.09Å
270	N	25.4	Very low	27.7	Very low	154 Å²	154	142.3 Å²	142.3	82%	0.824	78%	0.775	S	S	*	*			trans	-88.3	120.6	150.2	-71.9	18.9	0	0	0	106.1	K268	K268-N270 PolarHBondContact O-N 3.08Å
271	Q	26.7	Very low	28.5	Very low	156 Å²	156	136.4 Å²	136.4	73%	0.729	74%	0.744	S	S	*	*			trans	-134	125.7	163.7	-75.8	-167.1	-42	0	0	108.4	F269	F269-Q271 HydrophobicContact CD1-CG 3.82Å; F269-Q271 VanDerWaalsContact CE1-CD 3.48Å; F269-Q271 HydrophobicContact CE1-CG 4.09Å
272	E	26.7	Very low	29.1	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-67.6	151.2	171.5	-64.9	157.7	146.3	0	0	109.2
273	P	30.3	Very low	30	Very low	112 Å²	112	128.1 Å²	128.1	73%	0.727	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-61.4	144.8	173	27.6	-34.3	0	0	0	110.1	V275	P273-V275 PolarHBondContact O-N 3.45Å
274	P	29.3	Very low	31.1	Very low	128 Å²	128	124.5 Å²	124.5	83%	0.831	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-64.4	125	-177.2	26.4	-33.9	0	0	0	110.7	C276	P274-C276 PolarHBondContact O-N 2.91Å
275	V	26.7	Very low	32.4	Very low	142 Å²	142	118.6 Å²	118.6	86%	0.861	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-56	130.9	171.8	177.7	0	0	0	0	109	P273 A277	P273-V275 PolarHBondContact O-N 3.45Å; V275-A277 PolarHBondContact O-N 2.92Å
276	C	28.5	Very low	33.7	Very low	104 Å²	104	121.4 Å²	121.4	70%	0.703	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-62.5	121.9	-178.7	-162.8	0	0	0	0	110.1	P274	P274-C276 PolarHBondContact O-N 2.91Å
277	A	32.4	Very low	35.7	Very low	88 Å²	88	119.2 Å²	119.2	73%	0.727	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-67.2	135.1	178.8	0	0	0	0	0	110.2	V275 I279	V275-A277 PolarHBondContact O-N 2.92Å; A277-I279 PolarHBondContact O-N 3.38Å
278	E	30.9	Very low	38.2	Very low	141 Å²	141	120.4 Å²	120.4	66%	0.659	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-60.5	127.2	-170.7	-65.3	167.3	139.2	0	0	111.9	Q280	E278-Q280 VanDerWaalsContact C-N 3.3Å; E278-Q280 PolarHBondContact O-N 3.24Å
279	I	38.3	Very low	40.8	Very low	93 Å²	93	116.6 Å²	116.6	48%	0.477	62%	0.624	S	S	.	*			trans	-70.3	94.2	165.6	-56.8	176.1	0	0	0	106.7	A277 L281	A277-I279 PolarHBondContact O-N 3.38Å; I279-L281 HydrophobicContact CG2-CD1 4.39Å; I279-L281 HydrophobicContact CG2-CG 4.17Å; I279-L281 PolarHBondContact O-N 2.96Å
280	Q	34.4	Very low	43.4	Very low	146 Å²	146	109.6 Å²	109.6	68%	0.682	59%	0.594	S	S	*	*			trans	-70.2	69.9	171.3	-75.5	-177.4	-23.1	0	0	111.1	E278	E278-Q280 VanDerWaalsContact C-N 3.3Å; E278-Q280 PolarHBondContact O-N 3.24Å
281	L	41.5	Very low	45.7	Very low	40 Å²	40	109.3 Å²	109.3	21%	0.209	59%	0.593	C	S	.	*			trans	-49.9	150.2	144.4	-75.2	150.4	0	0	0	108.6	I279 L283 F800	I279-L281 HydrophobicContact CG2-CD1 4.39Å; I279-L281 HydrophobicContact CG2-CG 4.17Å; I279-L281 PolarHBondContact O-N 2.96Å; L281-L283 HydrophobicContact CB-CB 4.02Å; L281-L283 HydrophobicContact CB-CD1 4.12Å; L281-L283 HydrophobicContact CD1-CD2 4.42Å; L281-L283 PolarHBondContact O-N 2.72Å; L281-F800 HydrophobicContact CD2-CE1 4.29Å; L281-F800 HydrophobicContact CD2-CZ 4.26Å
282	P	38.3	Very low	48	Very low	120 Å²	120	103.6 Å²	103.6	78%	0.779	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	39.9	168.8	-22.3	35.7	0	0	0	114.4
283	L	43.4	Very low	50.7	Low	9 Å²	9	97.9 Å²	97.9	5%	0.047	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-25.1	-172.2	-118.2	70.7	0	0	0	113.2	L281 T285 Y286 A287 L823 I832	L281-L283 HydrophobicContact CB-CB 4.02Å; L281-L283 HydrophobicContact CB-CD1 4.12Å; L281-L283 HydrophobicContact CD1-CD2 4.42Å; L281-L283 PolarHBondContact O-N 2.72Å; L283-T285 PolarHBondContact O-N 2.9Å; L283-Y286 PolarHBondContact O-N 2.87Å; L283-A287 HydrophobicContact CB-CB 3.98Å; L283-A287 HydrophobicContact CD2-CB 3.63Å; L283-A287 HydrophobicContact CG-CB 3.71Å; L283-A287 PolarHBondContact O-N 3.26Å; L283-L823 HydrophobicContact CD2-CD2 3.56Å; L283-I832 HydrophobicContact CD1-CD1 4.42Å; L283-I832 HydrophobicContact CD2-CD1 4.38Å
284	D	47.3	Very low	53.7	Low	113 Å²	113	92.5 Å²	92.5	60%	0.604	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.8	-164.7	-54.2	-8	0	0	0	115.3
285	T	50.8	Low	56.8	Low	112 Å²	112	86.4 Å²	86.4	69%	0.687	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-17.3	176.8	-46.9	0	0	0	0	113.3	L283	L283-T285 PolarHBondContact O-N 2.9Å
286	Y	52.8	Low	60.2	Low	167 Å²	167	80.3 Å²	80.3	66%	0.655	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.5	-21	-168.7	-60.3	-69.3	0	0	0	115.8	L283 L836	L283-Y286 PolarHBondContact O-N 2.87Å; Y286-L836 HydrophobicContact CG-CD1 4.49Å
287	A	68.1	Low	63.3	Low	23 Å²	23	78.5 Å²	78.5	19%	0.19	41%	0.41	C	S	.	.			trans	-87.6	134.4	178.5	0	0	0	0	0	111.5	L283 F830 E831	L283-A287 HydrophobicContact CB-CB 3.98Å; L283-A287 HydrophobicContact CD2-CB 3.63Å; L283-A287 HydrophobicContact CG-CB 3.71Å; L283-A287 PolarHBondContact O-N 3.26Å; A287-F830 HydrophobicContact CB-CB 4.29Å; A287-E831 WeakPolarHBondContact CA-O 3.48Å
288	K	79.4	Confident	66.2	Low	139 Å²	139	76.5 Å²	76.5	60%	0.604	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	109.7	178	-179.6	-178.3	176	-176.1	0	110.1	F830 E831	K288-F830 CarbonylContact O-C 3.55Å; K288-F830 WeakPolarHBondContact O-CA 3.39Å; K288-E831 HydrophobicContact CB-CB 4.34Å; K288-E831 PolarHBondContact N-O 2.82Å; K288-E831 PolarHBondContact O-N 2.79Å
289	Q	80.4	Confident	69.1	Low	119 Å²	119	71.3 Å²	71.3	56%	0.556	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	141.6	170.6	-169.3	177.6	-3.7	0	0	110.5	F830	Q289-F830 HydrophobicContact CB-CD1 3.8Å; Q289-F830 HydrophobicContact CB-CE1 3.86Å; Q289-F830 HydrophobicContact CG-CD1 4.23Å; Q289-F830 HydrophobicContact CG-CE1 4.03Å
290	L	79.2	Confident	71.7	Confident	14 Å²	14	69.6 Å²	69.6	7%	0.073	36%	0.363	C	S	.	.			trans	-111.1	150.7	-179.3	-60.5	-178.6	0	0	0	111.5	R292 R818 L822 V829 E831	L290-R292 HydrophobicContact CB-CB 4.29Å; L290-R292 PolarHBondContact O-N 2.8Å; L290-R818 VanDerWaalsContact CD1-CZ 3.44Å; L290-R818 VanDerWaalsContact CD2-NH1 3.31Å; L290-L822 HydrophobicContact CD1-CD1 4.42Å; L290-L822 HydrophobicContact CD1-CD2 3.46Å; L290-L822 VanDerWaalsContact CD1-CD2 3.46Å; L290-V829 HydrophobicContact CD1-CG1 4.34Å; L290-V829 PolarHBondContact N-O 3.04Å; L290-E831 HydrophobicContact CD1-CB 4.38Å; L290-E831 HydrophobicContact CD2-CB 4.3Å; L290-E831 HydrophobicContact CG-CB 4.43Å
291	N	73.5	Confident	74.7	Confident	148 Å²	148	62.7 Å²	62.7	79%	0.791	33%	0.33	S	S	*	.	S	Bend	trans	-76.9	43.2	168.2	-63	5.5	0	0	0	111.2
292	R	76.4	Confident	77.3	Confident	35 Å²	35	61 Å²	61	13%	0.132	32%	0.321	C	S	.	.			trans	-126.2	129.3	175	-175.6	-167.8	-161.1	162.6	8.3	106.3	L290 D348 D815 Y824 V829	L290-R292 HydrophobicContact CB-CB 4.29Å; L290-R292 PolarHBondContact O-N 2.8Å; R292-D348 IonicContact CZ-OD1 2.73Å; R292-D348 VanDerWaalsContact CZ-OD1 3.31Å; R292-D348 IonicContact NE-OD1 2.71Å; R292-D348 PolarHBondContact NE-OD1 3.44Å; R292-D348 VanDerWaalsContact NE-OD1 3.1Å; R292-D348 IonicContact NH2-OD1 3.56Å; R292-D348 PolarHBondContact NH2-OD1 3.31Å; R292-D815 IonicContact CZ-OD2 2.66Å; R292-D815 IonicContact NH1-OD1 2.7Å; R292-D815 IonicContact NH1-OD2 2.7Å; R292-D815 PolarHBondContact NH1-OD2 3.2Å; R292-D815 IonicContact NH2-OD2 3.71Å; R292-Y824 VanDerWaalsContact CZ-OH 3.28Å; R292-Y824 PolarHBondContact NH1-OH 3.03Å; R292-Y824 VanDerWaalsContact NH1-OH 3.15Å; R292-V829 WeakPolarHBondContact O-CB 3.28Å; R292-V829 WeakPolarHBondContact O-CG2 3.33Å
293	E	83.8	Confident	80.1	Confident	62 Å²	62	55.3 Å²	55.3	29%	0.29	29%	0.285	S	S	.	.			trans	-95.8	140	177.9	-65.3	177.2	170.6	0	0	110.5	R350 V352 K355 V827	E293-R350 WeakPolarHBondContact OE2-CA 3.41Å; E293-V352 VanDerWaalsContact OE2-CG2 3.31Å; E293-V352 WeakPolarHBondContact OE2-CG2 3.41Å; E293-K355 PolarHBondContact O-NZ 2.73Å; E293-V827 WeakPolarHBondContact CA-O 3.39Å
294	G	91.6	Very high	82.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.			trans	-80.6	-126.8	170.3	0	0	0	0	0	112	K355 D826 V827	G294-K355 WeakPolarHBondContact O-CD 3.27Å; G294-K355 WeakPolarHBondContact O-CE 3.37Å; G294-K355 PolarHBondContact O-NZ 2.81Å; G294-D826 CarbonylContact C-O 3.23Å; G294-D826 VanDerWaalsContact CA-O 3.25Å; G294-D826 WeakPolarHBondContact CA-O 3.35Å; G294-V827 PolarHBondContact N-O 2.88Å
295	F	96.2	Very high	85.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.			trans	-122.4	131.6	-176.5	-71.3	-34.3	0	0	0	111.8	N305 L308 Q309 F312 L343 K347 L359 D826 V827	F295-N305 HydrophobicContact CB-CB 4.13Å; F295-N305 PolarHBondContact O-ND2 2.94Å; F295-L308 HydrophobicContact CD2-CB 4.24Å; F295-L308 HydrophobicContact CE2-CB 3.74Å; F295-Q309 HydrophobicContact CD2-CG 3.77Å; F295-Q309 HydrophobicContact CE2-CG 3.9Å; F295-F312 HydrophobicContact CE2-CD2 4.05Å; F295-F312 HydrophobicContact CE2-CE2 4.13Å; F295-F312 AromaticContact CZ-CD2 3.81Å; F295-F312 HydrophobicContact CZ-CD2 3.81Å; F295-F312 AromaticContact CZ-CE2 3.83Å; F295-F312 HydrophobicContact CZ-CE2 3.83Å; F295-L343 HydrophobicContact CD1-CD1 4.28Å; F295-L343 HydrophobicContact CE1-CD1 3.67Å; F295-L343 HydrophobicContact CE1-CD2 4.47Å; F295-L343 HydrophobicContact CE1-CG 4.07Å; F295-L343 HydrophobicContact CZ-CD1 4.17Å; F295-L343 HydrophobicContact CZ-CD2 4.23Å; F295-L343 HydrophobicContact CZ-CG 4.04Å; F295-K347 HydrophobicContact CE1-CB 3.9Å; F295-K347 HydrophobicContact CZ-CB 3.85Å; F295-L359 HydrophobicContact CB-CD1 3.66Å; F295-L359 HydrophobicContact CB-CD2 4.41Å; F295-L359 HydrophobicContact CD1-CD1 3.99Å; F295-L359 HydrophobicContact CD1-CD2 4.47Å; F295-L359 HydrophobicContact CD2-CD2 4.26Å; F295-L359 HydrophobicContact CG-CD1 3.94Å; F295-L359 HydrophobicContact CG-CD2 4.15Å; F295-D826 PolarHBondContact N-O 3.28Å; F295-D826 CarbonylContact O-C 3.59Å; F295-D826 WeakPolarHBondContact O-CA 3.44Å; F295-D826 WeakPolarHBondContact O-CB 3.25Å; F295-V827 PolarHBondContact O-N 2.67Å
296	P	96.1	Very high	87.4	Confident	14 Å²	14	44.5 Å²	44.5	9%	0.091	22%	0.223	C	C	.	.			trans	-59.3	143.1	176	23.6	-33.8	0	0	0	112.7	N305 V352 K355 L359 V827	P296-N305 PolarHBondContact O-ND2 3.42Å; P296-V352 HydrophobicContact CB-CG1 3.79Å; P296-V352 HydrophobicContact CG-CG1 3.99Å; P296-K355 HydrophobicContact CG-CB 4.26Å; P296-L359 HydrophobicContact CG-CD1 3.83Å; P296-V827 HydrophobicContact CB-CG1 4.24Å
297	N	95.2	Very high	89.6	Confident	66 Å²	66	36.6 Å²	36.6	35%	0.353	19%	0.192	S	C	.	.			trans	-80.8	120.9	168.1	-161.2	-45.8	0	0	0	108.6	G299 N300 T301 D826	N297-G299 VanDerWaalsContact C-N 3.31Å; N297-G299 PolarHBondContact OD1-N 3.29Å; N297-G299 VanDerWaalsContact OD1-N 3.13Å; N297-N300 PolarHBondContact OD1-N 3.04Å; N297-T301 PolarHBondContact OD1-N 3.3Å; N297-T301 VanDerWaalsContact OD1-N 3.08Å; N297-D826 HydrophobicContact CB-CB 4.25Å; N297-D826 WeakPolarHBondContact CB-OD2 3.38Å; N297-D826 PolarHBondContact ND2-OD2 3.08Å
298	L	93.4	Very high	91	Very high	46 Å²	46	35.6 Å²	35.6	24%	0.241	18%	0.183	C	C	.	.	S	Bend	trans	-94.8	14.9	-175.9	-61.5	166.6	0	0	0	112.5	T301 M304 L359 M360	L298-T301 HydrophobicContact CB-CG2 3.8Å; L298-T301 PolarHBondContact N-OG1 3.49Å; L298-M304 HydrophobicContact CD1-CE 4.28Å; L298-L359 HydrophobicContact CD1-CB 3.53Å; L298-M360 HydrophobicContact CB-SD 4.29Å; L298-M360 HydrophobicContact CD1-CB 4.48Å; L298-M360 HydrophobicContact CD1-CG 3.73Å; L298-M360 HydrophobicContact CD1-SD 3.84Å; L298-M360 HydrophobicContact CD2-CG 4.09Å; L298-M360 HydrophobicContact CD2-SD 4.47Å; L298-M360 HydrophobicContact CG-CG 4.45Å; L298-M360 HydrophobicContact CG-SD 4.44Å
299	G	90.3	Very high	91.8	Very high	31 Å²	31	29.4 Å²	29.4	32%	0.32	16%	0.157	S	C	.	.	S	Bend	trans	103.8	96.8	-166.9	0	0	0	0	0	109.9	N297 T301	N297-G299 VanDerWaalsContact C-N 3.31Å; N297-G299 PolarHBondContact OD1-N 3.29Å; N297-G299 VanDerWaalsContact OD1-N 3.13Å; G299-T301 WeakPolarHBondContact O-CG2 3.1Å; G299-T301 PolarHBondContact O-N 2.96Å
300	N	94	Very high	92.6	Very high	58 Å²	58	23.9 Å²	23.9	31%	0.31	13%	0.131	S	C	.	.	S	Bend	trans	57.6	11.3	-179	-73.7	-49.1	0	0	0	116.4	N297 C302 Y303 D376 Q378	N297-N300 PolarHBondContact OD1-N 3.04Å; N300-C302 PolarHBondContact O-N 3.37Å; N300-C302 VanDerWaalsContact O-N 3.08Å; N300-Y303 WeakPolarHBondContact O-CD1 3.49Å; N300-Y303 WeakPolarHBondContact O-CE1 3.17Å; N300-D376 WeakPolarHBondContact CB-O 3.32Å; N300-D376 PolarHBondContact ND2-O 3.38Å; N300-Q378 HydrophobicContact CB-CG 3.81Å; N300-Q378 VanDerWaalsContact CG-CG 3.43Å; N300-Q378 WeakPolarHBondContact OD1-CG 3.48Å; N300-Q378 PolarHBondContact OD1-NE2 2.77Å
301	T	96.7	Very high	93.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	11.9	-172.6	64.2	0	0	0	0	115.5	N297 L298 G299 Y303 M304 N305 K363	N297-T301 PolarHBondContact OD1-N 3.3Å; N297-T301 VanDerWaalsContact OD1-N 3.08Å; L298-T301 HydrophobicContact CB-CG2 3.8Å; L298-T301 PolarHBondContact N-OG1 3.49Å; G299-T301 WeakPolarHBondContact O-CG2 3.1Å; G299-T301 PolarHBondContact O-N 2.96Å; T301-Y303 PolarHBondContact O-N 3.14Å; T301-Y303 VanDerWaalsContact O-N 3.17Å; T301-M304 HydrophobicContact CG2-CE 4.23Å; T301-M304 WeakPolarHBondContact O-CA 3.39Å; T301-M304 WeakPolarHBondContact O-CB 3.44Å; T301-M304 PolarHBondContact O-N 2.86Å; T301-N305 PolarHBondContact O-N 2.85Å; T301-K363 HydrophobicContact CG2-CD 4.23Å
302	C	96.8	Very high	94.5	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.027	9%	0.093	C	C	.	.	H	α-helix	trans	-55.9	-31.9	177.7	59.8	0	0	0	0	113.1	N300 M304 N305 S306 H808 Y809	N300-C302 PolarHBondContact O-N 3.37Å; N300-C302 VanDerWaalsContact O-N 3.08Å; C302-M304 VanDerWaalsContact C-N 3.31Å; C302-M304 PolarHBondContact O-N 3.05Å; C302-N305 PolarHBondContact O-N 3.12Å; C302-S306 VanDerWaalsContact O-CB 3.3Å; C302-S306 WeakPolarHBondContact O-CB 3.46Å; C302-S306 PolarHBondContact O-N 3.03Å; C302-S306 PolarHBondContact O-OG 3.34Å; C302-H808 WeakPolarHBondContact CB-ND1 3.3Å; C302-Y809 PolarHBondContact SG-N 3.19Å
303	Y	97.3	Very high	95.3	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-34.3	173.7	72.2	-90.1	0	0	0	112.6	N300 T301 S306 I307 F373 N379 F384	N300-Y303 WeakPolarHBondContact O-CD1 3.49Å; N300-Y303 WeakPolarHBondContact O-CE1 3.17Å; T301-Y303 PolarHBondContact O-N 3.14Å; T301-Y303 VanDerWaalsContact O-N 3.17Å; Y303-S306 PolarHBondContact O-OG 3.08Å; Y303-I307 VanDerWaalsContact O-CG1 3.25Å; Y303-I307 WeakPolarHBondContact O-CG1 3.38Å; Y303-F373 HydrophobicContact CD2-CD1 4.5Å; Y303-F373 HydrophobicContact CD2-CE1 4.29Å; Y303-F373 AromaticContact CE2-CD1 3.53Å; Y303-F373 HydrophobicContact CE2-CD1 3.53Å; Y303-F373 AromaticContact CE2-CE1 3.73Å; Y303-F373 HydrophobicContact CE2-CE1 3.73Å; Y303-F373 AromaticContact CZ-CD1 3.88Å; Y303-N379 WeakPolarHBondContact CB-O 3.38Å; Y303-N379 HydrophobicContact CD1-CB 3.84Å; Y303-N379 HydrophobicContact CD2-CB 3.98Å; Y303-N379 HydrophobicContact CE1-CB 3.78Å; Y303-N379 HydrophobicContact CE2-CB 3.94Å; Y303-N379 HydrophobicContact CG-CB 3.97Å; Y303-F384 HydrophobicContact CD2-CB 3.73Å; Y303-F384 HydrophobicContact CD2-CD2 4.21Å; Y303-F384 AromaticContact CD2-CG 3.91Å; Y303-F384 HydrophobicContact CD2-CG 3.91Å; Y303-F384 HydrophobicContact CE2-CB 3.98Å; Y303-F384 AromaticContact CE2-CD2 3.67Å; Y303-F384 HydrophobicContact CE2-CD2 3.67Å; Y303-F384 HydrophobicContact CE2-CE2 4.35Å; Y303-F384 AromaticContact CE2-CG 3.85Å; Y303-F384 HydrophobicContact CE2-CG 3.85Å
304	M	97.7	Very high	95.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-77.4	-49.8	173.8	166.1	169.3	76.5	0	0	110.1	L298 T301 C302 S306 I307 L308 L359 V362 K363 F384	L298-M304 HydrophobicContact CD1-CE 4.28Å; T301-M304 HydrophobicContact CG2-CE 4.23Å; T301-M304 WeakPolarHBondContact O-CA 3.39Å; T301-M304 WeakPolarHBondContact O-CB 3.44Å; T301-M304 PolarHBondContact O-N 2.86Å; C302-M304 VanDerWaalsContact C-N 3.31Å; C302-M304 PolarHBondContact O-N 3.05Å; M304-S306 VanDerWaalsContact C-N 3.33Å; M304-S306 PolarHBondContact O-N 2.77Å; M304-I307 PolarHBondContact O-N 3.4Å; M304-L308 HydrophobicContact CG-CD1 3.52Å; M304-L308 HydrophobicContact CG-CG 4.12Å; M304-L308 WeakPolarHBondContact O-CG 3.27Å; M304-L308 PolarHBondContact O-N 2.64Å; M304-L308 HydrophobicContact SD-CD1 4.16Å; M304-L359 HydrophobicContact CE-CB 4.07Å; M304-L359 HydrophobicContact CE-CD2 4.08Å; M304-V362 HydrophobicContact SD-CG1 3.98Å; M304-K363 HydrophobicContact CE-CB 4.09Å; M304-K363 HydrophobicContact SD-CB 4.19Å; M304-F384 HydrophobicContact CB-CD1 4.26Å; M304-F384 HydrophobicContact CB-CE1 3.84Å; M304-F384 HydrophobicContact CB-CE2 4.1Å; M304-F384 HydrophobicContact CB-CZ 3.75Å; M304-F384 HydrophobicContact CG-CE1 3.69Å; M304-F384 HydrophobicContact CG-CE2 4.08Å; M304-F384 HydrophobicContact CG-CZ 3.38Å; M304-F384 HydrophobicContact SD-CE2 4.09Å; M304-F384 HydrophobicContact SD-CZ 3.71Å
305	N	98	Very high	96	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-58.5	-44.7	-175.5	-68.5	-11.2	0	0	0	111.6	F295 P296 T301 C302 L308 Q309 D826	F295-N305 HydrophobicContact CB-CB 4.13Å; F295-N305 PolarHBondContact O-ND2 2.94Å; P296-N305 PolarHBondContact O-ND2 3.42Å; T301-N305 PolarHBondContact O-N 2.85Å; C302-N305 PolarHBondContact O-N 3.12Å; N305-L308 PolarHBondContact O-N 2.67Å; N305-Q309 VanDerWaalsContact O-CG 3.31Å; N305-Q309 WeakPolarHBondContact O-CG 3.39Å; N305-Q309 PolarHBondContact O-N 2.72Å; N305-D826 PolarHBondContact ND2-OD1 3.17Å
306	S	98.3	Very high	95.8	Very high	4 Å²	4	13.8 Å²	13.8	3%	0.028	9%	0.087	C	C	.	.	H	α-helix	trans	-65.4	-40.9	179.6	55.7	0	0	0	0	113.3	C302 Y303 M304 S310 Y809 S811	C302-S306 VanDerWaalsContact O-CB 3.3Å; C302-S306 WeakPolarHBondContact O-CB 3.46Å; C302-S306 PolarHBondContact O-N 3.03Å; C302-S306 PolarHBondContact O-OG 3.34Å; Y303-S306 PolarHBondContact O-OG 3.08Å; M304-S306 VanDerWaalsContact C-N 3.33Å; M304-S306 PolarHBondContact O-N 2.77Å; S306-S310 PolarHBondContact O-N 2.92Å; S306-S310 VanDerWaalsContact O-N 3.14Å; S306-Y809 WeakPolarHBondContact OG-CB 3.5Å; S306-S811 VanDerWaalsContact O-CB 3.31Å; S306-S811 WeakPolarHBondContact O-CB 3.46Å; S306-S811 PolarHBondContact O-OG 3.08Å
307	I	98.6	Very high	95.8	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-48.4	173.2	-71.1	-61.3	0	0	0	111.5	Y303 M304 Q309 S310 V311 A381 F384 L385 V797 I847	Y303-I307 VanDerWaalsContact O-CG1 3.25Å; Y303-I307 WeakPolarHBondContact O-CG1 3.38Å; M304-I307 PolarHBondContact O-N 3.4Å; I307-Q309 PolarHBondContact O-N 3.43Å; I307-S310 PolarHBondContact O-N 2.8Å; I307-V311 HydrophobicContact CG2-CG2 4.36Å; I307-V311 WeakPolarHBondContact O-CG2 3.4Å; I307-V311 PolarHBondContact O-N 3.41Å; I307-A381 HydrophobicContact CD1-CB 4.17Å; I307-A381 WeakPolarHBondContact CD1-O 3.28Å; I307-A381 HydrophobicContact CG1-CB 3.98Å; I307-A381 WeakPolarHBondContact CG1-O 3.41Å; I307-F384 HydrophobicContact CB-CD1 4Å; I307-F384 HydrophobicContact CB-CE1 4.32Å; I307-F384 HydrophobicContact CG1-CD1 4.22Å; I307-F384 HydrophobicContact CG2-CD1 3.91Å; I307-F384 HydrophobicContact CG2-CE1 4.08Å; I307-L385 HydrophobicContact CD1-CB 3.83Å; I307-L385 HydrophobicContact CD1-CD1 4.36Å; I307-L385 HydrophobicContact CD1-CD2 4.24Å; I307-L385 HydrophobicContact CD1-CG 4.37Å; I307-L385 HydrophobicContact CG1-CB 4.32Å; I307-L385 HydrophobicContact CG2-CB 4.21Å; I307-L385 HydrophobicContact CG2-CD1 3.84Å; I307-V797 HydrophobicContact CD1-CG2 4.3Å; I307-I847 HydrophobicContact CD1-CD1 3.72Å
308	L	98.2	Very high	95.6	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-63.4	-41.6	-178.1	-67.5	175.7	0	0	0	111.6	F295 M304 N305 S310 V311 F312 L340 L343 L359 V362 F384	F295-L308 HydrophobicContact CD2-CB 4.24Å; F295-L308 HydrophobicContact CE2-CB 3.74Å; M304-L308 HydrophobicContact CG-CD1 3.52Å; M304-L308 HydrophobicContact CG-CG 4.12Å; M304-L308 WeakPolarHBondContact O-CG 3.27Å; M304-L308 PolarHBondContact O-N 2.64Å; M304-L308 HydrophobicContact SD-CD1 4.16Å; N305-L308 PolarHBondContact O-N 2.67Å; L308-S310 PolarHBondContact O-N 2.94Å; L308-V311 PolarHBondContact O-N 3.3Å; L308-F312 HydrophobicContact CB-CD2 4.32Å; L308-F312 HydrophobicContact CB-CE2 4.06Å; L308-F312 HydrophobicContact CD2-CE2 4.39Å; L308-F312 HydrophobicContact CD2-CZ 4.13Å; L308-F312 VanDerWaalsContact O-CB 3.25Å; L308-F312 WeakPolarHBondContact O-CB 3.28Å; L308-F312 VanDerWaalsContact O-CD2 3.28Å; L308-F312 WeakPolarHBondContact O-CD2 3.27Å; L308-F312 WeakPolarHBondContact O-CG 3.44Å; L308-F312 PolarHBondContact O-N 3.17Å; L308-L340 HydrophobicContact CD2-CD2 3.56Å; L308-L343 HydrophobicContact CD1-CD2 3.9Å; L308-L359 HydrophobicContact CD1-CD2 3.63Å; L308-V362 HydrophobicContact CD1-CG1 4.32Å; L308-F384 HydrophobicContact CG-CE1 4.45Å
309	Q	96.5	Very high	95.4	Very high	10 Å²	10	8.8 Å²	8.8	5%	0.047	6%	0.06	C	C	.	.	H	α-helix	trans	-62.5	-41.8	174.7	-67.1	-66.5	4.4	0	0	112.4	F295 N305 I307 G313 Y824	F295-Q309 HydrophobicContact CD2-CG 3.77Å; F295-Q309 HydrophobicContact CE2-CG 3.9Å; N305-Q309 VanDerWaalsContact O-CG 3.31Å; N305-Q309 WeakPolarHBondContact O-CG 3.39Å; N305-Q309 PolarHBondContact O-N 2.72Å; I307-Q309 PolarHBondContact O-N 3.43Å; Q309-G313 PolarHBondContact O-N 2.84Å; Q309-Y824 HydrophobicContact CB-CD1 4.46Å; Q309-Y824 HydrophobicContact CB-CD2 4.22Å; Q309-Y824 HydrophobicContact CB-CG 4.07Å; Q309-Y824 VanDerWaalsContact CD-CD1 3.45Å; Q309-Y824 HydrophobicContact CG-CD1 3.86Å; Q309-Y824 HydrophobicContact CG-CD2 4.47Å; Q309-Y824 HydrophobicContact CG-CE1 4.49Å; Q309-Y824 HydrophobicContact CG-CG 3.85Å
310	S	97.8	Very high	95.4	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.014	5%	0.046	C	C	.	.	H	α-helix	trans	-64.1	-44.9	175.9	-90.2	0	0	0	0	112.5	S306 I307 L308 G313 V797 S811 F849	S306-S310 PolarHBondContact O-N 2.92Å; S306-S310 VanDerWaalsContact O-N 3.14Å; I307-S310 PolarHBondContact O-N 2.8Å; L308-S310 PolarHBondContact O-N 2.94Å; S310-G313 PolarHBondContact O-N 3.1Å; S310-V797 VanDerWaalsContact OG-CG2 3.31Å; S310-V797 WeakPolarHBondContact OG-CG2 3.39Å; S310-S811 PolarHBondContact N-OG 2.7Å; S310-S811 PolarHBondContact OG-OG 3.48Å; S310-F849 VanDerWaalsContact CB-CE2 3.49Å
311	V	97.6	Very high	95.3	Very high	6 Å²	6	4.8 Å²	4.8	4%	0.036	3%	0.031	C	C	.	.	H	α-helix	trans	-71.9	-41	-177.6	171.3	0	0	0	0	111.8	I307 L308 G313 I314 F317 L385 F425 F849	I307-V311 HydrophobicContact CG2-CG2 4.36Å; I307-V311 WeakPolarHBondContact O-CG2 3.4Å; I307-V311 PolarHBondContact O-N 3.41Å; L308-V311 PolarHBondContact O-N 3.3Å; V311-G313 PolarHBondContact O-N 2.96Å; V311-I314 PolarHBondContact O-N 3.3Å; V311-F317 HydrophobicContact CG1-CD1 3.67Å; V311-F317 HydrophobicContact CG1-CE1 3.41Å; V311-F317 VanDerWaalsContact CG1-CE1 3.41Å; V311-F317 HydrophobicContact CG1-CE2 4.26Å; V311-F317 HydrophobicContact CG1-CG 4.24Å; V311-F317 HydrophobicContact CG1-CZ 3.72Å; V311-L385 HydrophobicContact CG2-CD1 4.02Å; V311-F425 HydrophobicContact CG1-CE2 4.39Å; V311-F425 HydrophobicContact CG1-CZ 4.41Å; V311-F849 HydrophobicContact CG2-CE1 4.15Å; V311-F849 HydrophobicContact CG2-CZ 4.32Å
312	F	95.1	Very high	94.8	Very high	9 Å²	9	5 Å²	5	4%	0.039	3%	0.032	C	C	.	.	H	α-helix	trans	-71.6	-18.3	174.4	-62.9	-23.9	0	0	0	113.4	F295 L308 I314 L340 L343 L344 K347	F295-F312 HydrophobicContact CE2-CD2 4.05Å; F295-F312 HydrophobicContact CE2-CE2 4.13Å; F295-F312 AromaticContact CZ-CD2 3.81Å; F295-F312 HydrophobicContact CZ-CD2 3.81Å; F295-F312 AromaticContact CZ-CE2 3.83Å; F295-F312 HydrophobicContact CZ-CE2 3.83Å; L308-F312 HydrophobicContact CB-CD2 4.32Å; L308-F312 HydrophobicContact CB-CE2 4.06Å; L308-F312 HydrophobicContact CD2-CE2 4.39Å; L308-F312 HydrophobicContact CD2-CZ 4.13Å; L308-F312 VanDerWaalsContact O-CB 3.25Å; L308-F312 WeakPolarHBondContact O-CB 3.28Å; L308-F312 VanDerWaalsContact O-CD2 3.28Å; L308-F312 WeakPolarHBondContact O-CD2 3.27Å; L308-F312 WeakPolarHBondContact O-CG 3.44Å; L308-F312 PolarHBondContact O-N 3.17Å; F312-I314 PolarHBondContact O-N 2.74Å; F312-L340 HydrophobicContact CE1-CD2 4.43Å; F312-L340 HydrophobicContact CZ-CD2 3.95Å; F312-L343 HydrophobicContact CE2-CB 4.42Å; F312-L343 HydrophobicContact CE2-CD2 3.88Å; F312-L343 HydrophobicContact CE2-CG 3.89Å; F312-L343 HydrophobicContact CZ-CB 4.44Å; F312-L343 HydrophobicContact CZ-CD2 4.23Å; F312-L343 HydrophobicContact CZ-CG 4.36Å; F312-L344 HydrophobicContact CB-CD1 3.73Å; F312-L344 HydrophobicContact CD1-CB 4.03Å; F312-L344 HydrophobicContact CD1-CD1 3.74Å; F312-L344 HydrophobicContact CD1-CG 4.3Å; F312-L344 HydrophobicContact CD2-CD1 4.48Å; F312-L344 HydrophobicContact CE1-CB 3.86Å; F312-L344 HydrophobicContact CE1-CD1 4.45Å; F312-L344 HydrophobicContact CE2-CB 4.5Å; F312-L344 HydrophobicContact CG-CB 4.42Å; F312-L344 HydrophobicContact CG-CD1 3.75Å; F312-L344 HydrophobicContact CZ-CB 4.1Å; F312-K347 HydrophobicContact CB-CD 3.96Å; F312-K347 HydrophobicContact CD2-CD 4.35Å
313	G	93.3	Very high	94.2	Very high	20 Å²	20	6.1 Å²	6.1	21%	0.206	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.3	170.3	0	0	0	0	0	114.8	Q309 S310 V311 P315	Q309-G313 PolarHBondContact O-N 2.84Å; S310-G313 PolarHBondContact O-N 3.1Å; V311-G313 PolarHBondContact O-N 2.96Å; G313-P315 VanDerWaalsContact O-CD 3.27Å; G313-P315 WeakPolarHBondContact O-CD 3.32Å
314	I	95.8	Very high	93.6	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.01	5%	0.045	C	C	.	.			trans	-90.9	106.3	-179.5	-55.7	-54.7	0	0	0	110.3	V311 F312 T316 F317 A318 F425 V503 V794 M851	V311-I314 PolarHBondContact O-N 3.3Å; F312-I314 PolarHBondContact O-N 2.74Å; I314-T316 VanDerWaalsContact C-N 3.3Å; I314-T316 PolarHBondContact O-N 2.87Å; I314-F317 HydrophobicContact CB-CB 3.99Å; I314-F317 HydrophobicContact CG2-CB 3.89Å; I314-F317 PolarHBondContact O-N 2.82Å; I314-F317 VanDerWaalsContact O-N 3.08Å; I314-A318 PolarHBondContact O-N 3.37Å; I314-F425 HydrophobicContact CG1-CE1 4.32Å; I314-F425 HydrophobicContact CG1-CZ 4.4Å; I314-V503 HydrophobicContact CD1-CG1 4.25Å; I314-V503 HydrophobicContact CD1-CG2 4.28Å; I314-V503 HydrophobicContact CG2-CG2 3.77Å; I314-V794 HydrophobicContact CD1-CG2 3.71Å; I314-M851 HydrophobicContact CD1-CE 4.34Å; I314-M851 HydrophobicContact CG2-CE 4.16Å
315	P	92.9	Very high	92.9	Very high	11 Å²	11	8.2 Å²	8.2	7%	0.071	5%	0.053	C	C	.	.	H	α-helix	trans	-66.9	-29.6	-170.8	-23	36.4	0	0	0	113.5	G313 K319 F816 L859 F882 L886	G313-P315 VanDerWaalsContact O-CD 3.27Å; G313-P315 WeakPolarHBondContact O-CD 3.32Å; P315-K319 VanDerWaalsContact O-CB 3.29Å; P315-K319 WeakPolarHBondContact O-CB 3.44Å; P315-K319 PolarHBondContact O-N 2.97Å; P315-F816 HydrophobicContact CG-CD2 3.7Å; P315-F816 HydrophobicContact CG-CE2 3.97Å; P315-F816 HydrophobicContact CG-CG 4.33Å; P315-L859 HydrophobicContact CB-CD1 4.39Å; P315-L859 HydrophobicContact CB-CD2 4.1Å; P315-L859 HydrophobicContact CG-CD1 4.07Å; P315-L859 HydrophobicContact CG-CD2 4.48Å; P315-F882 HydrophobicContact CB-CE2 4.42Å; P315-L886 HydrophobicContact CB-CD2 3.79Å; P315-L886 HydrophobicContact CG-CD2 3.86Å
316	T	93.1	Very high	92.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-72.2	-30	176.4	55.5	0	0	0	0	112.7	I314 D320 N424 V548 I855 L859	I314-T316 VanDerWaalsContact C-N 3.3Å; I314-T316 PolarHBondContact O-N 2.87Å; T316-D320 VanDerWaalsContact O-CG 3.26Å; T316-D320 PolarHBondContact O-N 2.96Å; T316-N424 WeakPolarHBondContact CB-OD1 3.33Å; T316-N424 PolarHBondContact OG1-OD1 2.73Å; T316-V548 HydrophobicContact CG2-CG1 4.23Å; T316-V548 HydrophobicContact CG2-CG2 3.95Å; T316-I855 HydrophobicContact CG2-CG2 4.04Å; T316-L859 HydrophobicContact CG2-CD2 4.4Å
317	F	94.8	Very high	91.8	Very high	1 Å²	1	9.5 Å²	9.5	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-73.2	-47.1	172	174.4	-90.7	0	0	0	110.8	V311 I314 K319 D320 L321 L392 P420 V421 N424 F425	V311-F317 HydrophobicContact CG1-CD1 3.67Å; V311-F317 HydrophobicContact CG1-CE1 3.41Å; V311-F317 VanDerWaalsContact CG1-CE1 3.41Å; V311-F317 HydrophobicContact CG1-CE2 4.26Å; V311-F317 HydrophobicContact CG1-CG 4.24Å; V311-F317 HydrophobicContact CG1-CZ 3.72Å; I314-F317 HydrophobicContact CB-CB 3.99Å; I314-F317 HydrophobicContact CG2-CB 3.89Å; I314-F317 PolarHBondContact O-N 2.82Å; I314-F317 VanDerWaalsContact O-N 3.08Å; F317-K319 PolarHBondContact O-N 2.9Å; F317-D320 PolarHBondContact O-N 2.6Å; F317-L321 HydrophobicContact CE1-CD2 4.07Å; F317-L321 HydrophobicContact CZ-CD2 4.39Å; F317-L321 WeakPolarHBondContact O-CB 3.29Å; F317-L321 PolarHBondContact O-N 2.84Å; F317-L392 HydrophobicContact CE2-CD1 4.29Å; F317-L392 HydrophobicContact CZ-CD1 3.83Å; F317-P420 HydrophobicContact CD2-CB 3.71Å; F317-P420 HydrophobicContact CE2-CB 3.62Å; F317-P420 HydrophobicContact CZ-CB 4.38Å; F317-V421 HydrophobicContact CE2-CG2 4.32Å; F317-N424 HydrophobicContact CB-CB 4.46Å; F317-F425 HydrophobicContact CB-CE2 4.5Å; F317-F425 HydrophobicContact CB-CZ 4.13Å; F317-F425 HydrophobicContact CD2-CD2 4.35Å; F317-F425 AromaticContact CD2-CE2 3.42Å; F317-F425 HydrophobicContact CD2-CE2 3.42Å; F317-F425 VanDerWaalsContact CD2-CE2 3.42Å; F317-F425 AromaticContact CD2-CZ 3.9Å; F317-F425 HydrophobicContact CD2-CZ 3.9Å; F317-F425 AromaticContact CE2-CE2 3.83Å; F317-F425 HydrophobicContact CE2-CE2 3.83Å; F317-F425 HydrophobicContact CG-CE2 4.07Å; F317-F425 HydrophobicContact CG-CZ 4.09Å
318	A	92.2	Very high	91.3	Very high	5 Å²	5	9.6 Å²	9.6	4%	0.041	6%	0.062	C	C	.	.	H	α-helix	trans	-56.9	-39.5	174.9	0	0	0	0	0	111.8	I314 L322 L344	I314-A318 PolarHBondContact O-N 3.37Å; A318-L322 WeakPolarHBondContact O-CG 3.4Å; A318-L322 PolarHBondContact O-N 2.53Å; A318-L322 VanDerWaalsContact O-N 3.13Å; A318-L344 HydrophobicContact CB-CD1 4.07Å; A318-L344 HydrophobicContact CB-CD2 3.85Å
319	K	89.7	Confident	90.7	Very high	15 Å²	15	15.4 Å²	15.4	7%	0.065	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-57.7	172.6	-171.4	-168.8	-165.9	178.7	0	112.4	P315 F317 L321 L322 T323 T549 F882 L885	P315-K319 VanDerWaalsContact O-CB 3.29Å; P315-K319 WeakPolarHBondContact O-CB 3.44Å; P315-K319 PolarHBondContact O-N 2.97Å; F317-K319 PolarHBondContact O-N 2.9Å; K319-L321 PolarHBondContact O-N 3.36Å; K319-L322 PolarHBondContact O-N 3.29Å; K319-T323 HydrophobicContact CB-CG2 4.45Å; K319-T323 HydrophobicContact CG-CG2 3.72Å; K319-T323 WeakPolarHBondContact CG-OG1 3.49Å; K319-T323 WeakPolarHBondContact O-CG2 3.45Å; K319-T323 PolarHBondContact O-N 3.02Å; K319-T323 PolarHBondContact O-OG1 2.65Å; K319-T549 PolarHBondContact NZ-O 3.01Å; K319-F882 HydrophobicContact CB-CD2 3.81Å; K319-F882 HydrophobicContact CB-CE2 3.76Å; K319-F882 HydrophobicContact CD-CD2 3.55Å; K319-F882 HydrophobicContact CD-CE2 3.74Å; K319-F882 HydrophobicContact CD-CG 4.28Å; K319-F882 HydrophobicContact CG-CD2 3.7Å; K319-F882 HydrophobicContact CG-CE2 4.05Å; K319-L885 HydrophobicContact CB-CD1 4.14Å; K319-L885 HydrophobicContact CG-CD1 4.48Å
320	D	90.3	Very high	90.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-28.7	-176.5	-67.7	-24.3	0	0	0	111.5	T316 F317 Q324 P420 A423 N424 R502	T316-D320 VanDerWaalsContact O-CG 3.26Å; T316-D320 PolarHBondContact O-N 2.96Å; F317-D320 PolarHBondContact O-N 2.6Å; D320-Q324 WeakPolarHBondContact O-CG 3.25Å; D320-Q324 PolarHBondContact O-NE2 3.34Å; D320-P420 HydrophobicContact CB-CB 3.87Å; D320-P420 HydrophobicContact CB-CG 4.05Å; D320-A423 WeakPolarHBondContact OD2-CB 3.25Å; D320-N424 PolarHBondContact OD2-ND2 3.49Å; D320-R502 IonicContact OD1-NH1 3.72Å; D320-R502 IonicContact OD2-CZ 3.73Å; D320-R502 IonicContact OD2-NH1 3.74Å; D320-R502 PolarHBondContact OD2-NH1 3.1Å; D320-R502 IonicContact OD2-NH2 3.34Å
321	L	90.1	Very high	89.8	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-71.3	-42.6	175.4	-174.7	57	0	0	0	112.9	F317 K319 I337 S341 L344 P420	F317-L321 HydrophobicContact CE1-CD2 4.07Å; F317-L321 HydrophobicContact CZ-CD2 4.39Å; F317-L321 WeakPolarHBondContact O-CB 3.29Å; F317-L321 PolarHBondContact O-N 2.84Å; K319-L321 PolarHBondContact O-N 3.36Å; L321-I337 HydrophobicContact CD1-CD1 4.19Å; L321-I337 HydrophobicContact CD1-CG1 3.6Å; L321-S341 WeakPolarHBondContact CD1-OG 3.15Å; L321-S341 WeakPolarHBondContact CG-OG 3.42Å; L321-L344 HydrophobicContact CB-CD2 4.42Å; L321-L344 HydrophobicContact CD2-CD2 3.84Å; L321-L344 HydrophobicContact CG-CD2 4.45Å; L321-P420 HydrophobicContact CB-CG 4.14Å; L321-P420 HydrophobicContact CD1-CG 4.27Å
322	L	87.9	Confident	89.4	Confident	5 Å²	5	21.6 Å²	21.6	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-99.4	-39.5	-170.1	-61.9	175.2	0	0	0	114.5	A318 K319 Q324 L344 V345 I569 L885	A318-L322 WeakPolarHBondContact O-CG 3.4Å; A318-L322 PolarHBondContact O-N 2.53Å; A318-L322 VanDerWaalsContact O-N 3.13Å; K319-L322 PolarHBondContact O-N 3.29Å; L322-Q324 VanDerWaalsContact C-N 3.28Å; L322-Q324 PolarHBondContact O-N 3.15Å; L322-Q324 VanDerWaalsContact O-N 3.13Å; L322-L344 HydrophobicContact CD1-CD2 3.56Å; L322-L344 HydrophobicContact CD1-CG 3.92Å; L322-L344 HydrophobicContact CD2-CD2 4.33Å; L322-L344 HydrophobicContact CG-CD2 3.79Å; L322-V345 HydrophobicContact CD1-CG2 3.94Å; L322-V345 HydrophobicContact CD2-CG2 3.91Å; L322-I569 HydrophobicContact CD2-CD1 3.59Å; L322-L885 HydrophobicContact CD1-CD2 3.61Å
323	T	83.5	Confident	88.9	Confident	28 Å²	28	25.2 Å²	25.2	17%	0.172	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	21.6	-163.4	81.4	0	0	0	0	115	K319 L881 L885	K319-T323 HydrophobicContact CB-CG2 4.45Å; K319-T323 HydrophobicContact CG-CG2 3.72Å; K319-T323 WeakPolarHBondContact CG-OG1 3.49Å; K319-T323 WeakPolarHBondContact O-CG2 3.45Å; K319-T323 PolarHBondContact O-N 3.02Å; K319-T323 PolarHBondContact O-OG1 2.65Å; T323-L881 HydrophobicContact CG2-CD2 3.65Å; T323-L881 HydrophobicContact CG2-CG 4.32Å; T323-L885 HydrophobicContact CG2-CD1 3.56Å
324	Q	84.6	Confident	88.6	Confident	26 Å²	26	28.1 Å²	28.1	12%	0.121	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.9	-172.8	-70.1	-159.9	84.8	0	0	114.8	D320 L322 I326 R415 F417 I418	D320-Q324 WeakPolarHBondContact O-CG 3.25Å; D320-Q324 PolarHBondContact O-NE2 3.34Å; L322-Q324 VanDerWaalsContact C-N 3.28Å; L322-Q324 PolarHBondContact O-N 3.15Å; L322-Q324 VanDerWaalsContact O-N 3.13Å; Q324-I326 HydrophobicContact CB-CG1 4.21Å; Q324-R415 PolarHBondContact O-NH2 3.19Å; Q324-F417 HydrophobicContact CB-CD1 4.19Å; Q324-I418 PolarHBondContact NE2-O 2.84Å
325	G	83.1	Confident	88.5	Confident	18 Å²	18	28.8 Å²	28.8	19%	0.186	17%	0.165	C	C	.	.			trans	58.2	60.9	-170.7	0	0	0	0	0	110.7	R415 F417	G325-R415 PolarHBondContact O-NH2 3.47Å; G325-F417 WeakPolarHBondContact O-CE1 3.49Å
326	I	86.4	Confident	88.6	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.162	C	C	.	.			trans	-76.4	134.8	173.4	-68.7	171.4	0	0	0	107.3	Q324 W328 V331 I337 L399 F417	Q324-I326 HydrophobicContact CB-CG1 4.21Å; I326-W328 VanDerWaalsContact C-N 3.29Å; I326-W328 HydrophobicContact CB-CD2 4.22Å; I326-W328 HydrophobicContact CB-CH2 4.31Å; I326-W328 HydrophobicContact CB-CZ2 3.83Å; I326-W328 HydrophobicContact CD1-CH2 3.86Å; I326-W328 HydrophobicContact CD1-CZ2 3.86Å; I326-W328 HydrophobicContact CG1-CZ2 4.34Å; I326-W328 HydrophobicContact CG2-CD2 4Å; I326-W328 HydrophobicContact CG2-CE3 4.07Å; I326-W328 HydrophobicContact CG2-CH2 4.22Å; I326-W328 HydrophobicContact CG2-CZ2 4.17Å; I326-W328 HydrophobicContact CG2-CZ3 4.18Å; I326-W328 PolarHBondContact O-N 3.43Å; I326-W328 PolarHBondContact O-NE1 2.86Å; I326-V331 HydrophobicContact CG2-CG2 3.8Å; I326-I337 HydrophobicContact CD1-CD1 3.96Å; I326-L399 HydrophobicContact CG2-CD1 4.14Å; I326-L399 HydrophobicContact CG2-CD2 4.42Å; I326-F417 HydrophobicContact CG1-CD1 4.04Å; I326-F417 HydrophobicContact CG1-CE1 4.14Å; I326-F417 HydrophobicContact CG1-CG 4.47Å
327	P	87.1	Confident	88.7	Confident	33 Å²	33	28.3 Å²	28.3	21%	0.214	16%	0.162	C	C	.	.			trans	-72.4	84.6	176.2	29.8	-35.1	0	0	0	109.9	D329 K330 V331	P327-D329 VanDerWaalsContact CA-OD1 3.3Å; P327-D329 WeakPolarHBondContact CA-OD1 3.15Å; P327-D329 VanDerWaalsContact CB-OD1 3.25Å; P327-D329 WeakPolarHBondContact CB-OD1 3.31Å; P327-D329 PolarHBondContact O-N 3.49Å; P327-K330 HydrophobicContact CB-CB 4.23Å; P327-K330 HydrophobicContact CB-CD 4.26Å; P327-K330 HydrophobicContact CB-CG 4.14Å; P327-K330 HydrophobicContact CG-CB 4.31Å; P327-K330 HydrophobicContact CG-CD 4.37Å; P327-K330 PolarHBondContact O-N 3.16Å; P327-V331 WeakPolarHBondContact O-CG2 3.42Å; P327-V331 PolarHBondContact O-N 2.91Å
328	W	88.3	Confident	88.6	Confident	3 Å²	3	29.4 Å²	29.4	1%	0.011	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.5	-175.8	-62.2	108.8	0	0	0	113.5	I326 V331 I337 K338 S341 E568 I569	I326-W328 VanDerWaalsContact C-N 3.29Å; I326-W328 HydrophobicContact CB-CD2 4.22Å; I326-W328 HydrophobicContact CB-CH2 4.31Å; I326-W328 HydrophobicContact CB-CZ2 3.83Å; I326-W328 HydrophobicContact CD1-CH2 3.86Å; I326-W328 HydrophobicContact CD1-CZ2 3.86Å; I326-W328 HydrophobicContact CG1-CZ2 4.34Å; I326-W328 HydrophobicContact CG2-CD2 4Å; I326-W328 HydrophobicContact CG2-CE3 4.07Å; I326-W328 HydrophobicContact CG2-CH2 4.22Å; I326-W328 HydrophobicContact CG2-CZ2 4.17Å; I326-W328 HydrophobicContact CG2-CZ3 4.18Å; I326-W328 PolarHBondContact O-N 3.43Å; I326-W328 PolarHBondContact O-NE1 2.86Å; W328-V331 HydrophobicContact CE3-CB 4.39Å; W328-V331 HydrophobicContact CE3-CG2 3.99Å; W328-V331 HydrophobicContact CZ3-CG2 4.48Å; W328-I337 HydrophobicContact CH2-CD1 4.26Å; W328-I337 HydrophobicContact CH2-CG1 4.15Å; W328-I337 HydrophobicContact CZ3-CD1 4.36Å; W328-I337 HydrophobicContact CZ3-CG1 4.14Å; W328-I337 HydrophobicContact CZ3-CG2 4.39Å; W328-K338 HydrophobicContact CE3-CG 4.46Å; W328-K338 PolarHBondContact O-NZ 3.32Å; W328-S341 WeakPolarHBondContact CH2-OG 3.43Å; W328-E568 WeakPolarHBondContact CB-O 3.4Å; W328-I569 HydrophobicContact CD2-CG1 3.76Å; W328-I569 VanDerWaalsContact CE2-CG1 3.48Å; W328-I569 HydrophobicContact CG-CG1 3.83Å; W328-I569 HydrophobicContact CZ2-CD1 4.23Å; W328-I569 HydrophobicContact CZ2-CG1 4.07Å; W328-I569 VanDerWaalsContact NE1-CG1 3.34Å
329	D	85.9	Confident	88.7	Confident	124 Å²	124	29.2 Å²	29.2	66%	0.663	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-39.8	166.4	65.3	-52.2	0	0	0	112.3	P327	P327-D329 VanDerWaalsContact CA-OD1 3.3Å; P327-D329 WeakPolarHBondContact CA-OD1 3.15Å; P327-D329 VanDerWaalsContact CB-OD1 3.25Å; P327-D329 WeakPolarHBondContact CB-OD1 3.31Å; P327-D329 PolarHBondContact O-N 3.49Å
330	K	85.8	Confident	89	Confident	98 Å²	98	28.6 Å²	28.6	43%	0.426	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.5	178.1	-59.4	-169.7	-178.9	-173.5	0	113.8	P327 E406	P327-K330 HydrophobicContact CB-CB 4.23Å; P327-K330 HydrophobicContact CB-CD 4.26Å; P327-K330 HydrophobicContact CB-CG 4.14Å; P327-K330 HydrophobicContact CG-CB 4.31Å; P327-K330 HydrophobicContact CG-CD 4.37Å; P327-K330 PolarHBondContact O-N 3.16Å; K330-E406 IonicContact NZ-OE1 3.73Å; K330-E406 PolarHBondContact NZ-OE1 3.22Å; K330-E406 IonicContact NZ-OE2 2.64Å; K330-E406 PolarHBondContact NZ-OE2 2.89Å
331	V	88.9	Confident	89.2	Confident	5 Å²	5	28.4 Å²	28.4	3%	0.03	16%	0.162	C	C	.	.	S	Bend	trans	-85.3	126.6	177.4	-178.9	0	0	0	0	109.9	I326 P327 W328 D335 I337 K338 L399	I326-V331 HydrophobicContact CG2-CG2 3.8Å; P327-V331 WeakPolarHBondContact O-CG2 3.42Å; P327-V331 PolarHBondContact O-N 2.91Å; W328-V331 HydrophobicContact CE3-CB 4.39Å; W328-V331 HydrophobicContact CE3-CG2 3.99Å; W328-V331 HydrophobicContact CZ3-CG2 4.48Å; V331-D335 HydrophobicContact CG1-CB 3.93Å; V331-I337 HydrophobicContact CG1-CG2 3.68Å; V331-K338 HydrophobicContact CB-CD 4.19Å; V331-K338 HydrophobicContact CG1-CB 3.8Å; V331-K338 HydrophobicContact CG1-CD 4.04Å; V331-K338 HydrophobicContact CG1-CG 4.46Å; V331-K338 PolarHBondContact O-NZ 3.3Å; V331-L399 HydrophobicContact CG2-CD1 4.21Å; V331-L399 HydrophobicContact CG2-CD2 3.69Å
332	S	89.1	Confident	89.2	Confident	46 Å²	46	30.1 Å²	30.1	32%	0.322	17%	0.169	S	C	.	.			trans	-65.1	145.8	176.1	-171.8	0	0	0	0	110.7	D334 D335	S332-D334 PolarHBondContact O-N 2.94Å; S332-D334 PolarHBondContact OG-N 2.7Å; S332-D334 PolarHBondContact OG-OD2 3.15Å; S332-D335 WeakPolarHBondContact CB-OD2 3.33Å; S332-D335 PolarHBondContact N-OD2 2.9Å; S332-D335 VanDerWaalsContact N-OD2 3.08Å; S332-D335 WeakPolarHBondContact O-CB 3.43Å; S332-D335 PolarHBondContact O-N 3.02Å
333	C	84.1	Confident	89.5	Confident	85 Å²	85	29.9 Å²	29.9	57%	0.574	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19	169.8	-59.6	0	0	0	0	112.5
334	D	87.3	Confident	89.9	Confident	81 Å²	81	28.8 Å²	28.8	43%	0.433	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-12	173.1	-51.5	-62.3	0	0	0	113.3	S332 L336 T365 H683	S332-D334 PolarHBondContact O-N 2.94Å; S332-D334 PolarHBondContact OG-N 2.7Å; S332-D334 PolarHBondContact OG-OD2 3.15Å; D334-L336 PolarHBondContact O-N 3.28Å; D334-T365 WeakPolarHBondContact O-CG2 3.46Å; D334-H683 IonicContact OD1-CE1 3.78Å; D334-H683 IonicContact OD2-CE1 3.99Å
335	D	93.1	Very high	90.1	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.08	16%	0.156	C	C	.	.	S	Bend	trans	-79.8	113.1	175.3	-70.2	-53.3	0	0	0	109.9	V331 S332 I337 K338 P339 N395 K398	V331-D335 HydrophobicContact CG1-CB 3.93Å; S332-D335 WeakPolarHBondContact CB-OD2 3.33Å; S332-D335 PolarHBondContact N-OD2 2.9Å; S332-D335 VanDerWaalsContact N-OD2 3.08Å; S332-D335 WeakPolarHBondContact O-CB 3.43Å; S332-D335 PolarHBondContact O-N 3.02Å; D335-I337 HydrophobicContact CB-CG2 4.13Å; D335-I337 PolarHBondContact O-N 3.28Å; D335-K338 PolarHBondContact O-N 3.49Å; D335-P339 WeakPolarHBondContact O-CD 3.41Å; D335-N395 PolarHBondContact OD1-ND2 3.33Å; D335-N395 VanDerWaalsContact OD1-ND2 3.14Å; D335-K398 WeakPolarHBondContact OD1-CD 3.2Å; D335-K398 IonicContact OD1-NZ 2.66Å; D335-K398 PolarHBondContact OD1-NZ 3.36Å; D335-K398 IonicContact OD2-NZ 2.8Å; D335-K398 PolarHBondContact OD2-NZ 2.84Å
336	L	95.3	Very high	90.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-34	-173.6	-177.6	62.7	0	0	0	115.1	D334 K338 P339 L340 V362 T365 I366 Q391 N395	D334-L336 PolarHBondContact O-N 3.28Å; L336-K338 PolarHBondContact O-N 3.49Å; L336-P339 VanDerWaalsContact O-CD 3.32Å; L336-P339 WeakPolarHBondContact O-CD 3.26Å; L336-P339 WeakPolarHBondContact O-CG 3.45Å; L336-L340 HydrophobicContact CD1-CD1 4.02Å; L336-L340 HydrophobicContact CD1-CG 3.9Å; L336-L340 HydrophobicContact CD2-CD1 3.95Å; L336-L340 HydrophobicContact CG-CD1 3.62Å; L336-L340 HydrophobicContact CG-CG 3.98Å; L336-L340 WeakPolarHBondContact O-CB 3.46Å; L336-L340 WeakPolarHBondContact O-CG 3.3Å; L336-L340 PolarHBondContact O-N 3.09Å; L336-L340 VanDerWaalsContact O-N 3.1Å; L336-V362 HydrophobicContact CD1-CG1 4.15Å; L336-T365 HydrophobicContact CB-CG2 3.71Å; L336-T365 HydrophobicContact CD1-CG2 4.04Å; L336-T365 HydrophobicContact CG-CG2 4.46Å; L336-I366 HydrophobicContact CD1-CD1 4.07Å; L336-I366 HydrophobicContact CD1-CG1 3.88Å; L336-I366 HydrophobicContact CD2-CD1 3.99Å; L336-I366 HydrophobicContact CD2-CG1 3.8Å; L336-I366 HydrophobicContact CG-CG1 4.49Å; L336-Q391 HydrophobicContact CB-CB 4.41Å; L336-Q391 HydrophobicContact CD2-CB 3.63Å; L336-N395 WeakPolarHBondContact CB-OD1 3.5Å; L336-N395 PolarHBondContact N-OD1 2.84Å
337	I	94.7	Very high	90.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-51.4	-35.8	175.4	-164.5	-176.8	0	0	0	113.5	L321 I326 W328 V331 D335 S341 L392 N395 M396 L399	L321-I337 HydrophobicContact CD1-CD1 4.19Å; L321-I337 HydrophobicContact CD1-CG1 3.6Å; I326-I337 HydrophobicContact CD1-CD1 3.96Å; W328-I337 HydrophobicContact CH2-CD1 4.26Å; W328-I337 HydrophobicContact CH2-CG1 4.15Å; W328-I337 HydrophobicContact CZ3-CD1 4.36Å; W328-I337 HydrophobicContact CZ3-CG1 4.14Å; W328-I337 HydrophobicContact CZ3-CG2 4.39Å; V331-I337 HydrophobicContact CG1-CG2 3.68Å; D335-I337 HydrophobicContact CB-CG2 4.13Å; D335-I337 PolarHBondContact O-N 3.28Å; I337-S341 VanDerWaalsContact O-CB 3.31Å; I337-S341 WeakPolarHBondContact O-CB 3.47Å; I337-S341 PolarHBondContact O-N 2.67Å; I337-S341 PolarHBondContact O-OG 2.97Å; I337-L392 HydrophobicContact CB-CD2 4.02Å; I337-L392 HydrophobicContact CG1-CD2 4.1Å; I337-N395 HydrophobicContact CB-CB 4.03Å; I337-N395 HydrophobicContact CG2-CB 3.93Å; I337-N395 PolarHBondContact N-OD1 3.38Å; I337-N395 VanDerWaalsContact N-OD1 3.09Å; I337-M396 HydrophobicContact CD1-CG 4.41Å; I337-M396 HydrophobicContact CD1-SD 3.37Å; I337-M396 WeakPolarHBondContact CD1-SD 3.37Å; I337-L399 HydrophobicContact CD1-CD1 3.76Å; I337-L399 HydrophobicContact CG2-CD1 4.35Å
338	K	93.4	Very high	90.1	Very high	25 Å²	25	28.1 Å²	28.1	11%	0.109	15%	0.151	C	C	.	.	H	α-helix	trans	-72.5	-58.4	-177.5	-168.1	162.5	-179.9	169.7	0	112.7	W328 V331 D335 L336 L340 S341 Q342	W328-K338 HydrophobicContact CE3-CG 4.46Å; W328-K338 PolarHBondContact O-NZ 3.32Å; V331-K338 HydrophobicContact CB-CD 4.19Å; V331-K338 HydrophobicContact CG1-CB 3.8Å; V331-K338 HydrophobicContact CG1-CD 4.04Å; V331-K338 HydrophobicContact CG1-CG 4.46Å; V331-K338 PolarHBondContact O-NZ 3.3Å; D335-K338 PolarHBondContact O-N 3.49Å; L336-K338 PolarHBondContact O-N 3.49Å; K338-L340 VanDerWaalsContact C-N 3.29Å; K338-L340 PolarHBondContact O-N 2.99Å; K338-S341 PolarHBondContact O-N 3.11Å; K338-S341 VanDerWaalsContact O-N 3.09Å; K338-Q342 WeakPolarHBondContact O-CG 3.23Å; K338-Q342 PolarHBondContact O-N 2.93Å
339	P	94.6	Very high	89.9	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-29.9	176.8	26.1	-35	0	0	0	113.1	D335 L336 L343 T361 V362	D335-P339 WeakPolarHBondContact O-CD 3.41Å; L336-P339 VanDerWaalsContact O-CD 3.32Å; L336-P339 WeakPolarHBondContact O-CD 3.26Å; L336-P339 WeakPolarHBondContact O-CG 3.45Å; P339-L343 VanDerWaalsContact O-CB 3.22Å; P339-L343 WeakPolarHBondContact O-CB 3.33Å; P339-L343 PolarHBondContact O-N 3Å; P339-T361 HydrophobicContact CB-CG2 3.78Å; P339-T361 HydrophobicContact CG-CG2 4.17Å; P339-V362 HydrophobicContact CB-CG2 4.04Å; P339-V362 HydrophobicContact CG-CG2 4.48Å
340	L	95.5	Very high	89.7	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-67.4	-36.9	171.7	-75.6	-178.4	0	0	0	112.9	L308 F312 L336 K338 L344 V362 L392	L308-L340 HydrophobicContact CD2-CD2 3.56Å; F312-L340 HydrophobicContact CE1-CD2 4.43Å; F312-L340 HydrophobicContact CZ-CD2 3.95Å; L336-L340 HydrophobicContact CD1-CD1 4.02Å; L336-L340 HydrophobicContact CD1-CG 3.9Å; L336-L340 HydrophobicContact CD2-CD1 3.95Å; L336-L340 HydrophobicContact CG-CD1 3.62Å; L336-L340 HydrophobicContact CG-CG 3.98Å; L336-L340 WeakPolarHBondContact O-CB 3.46Å; L336-L340 WeakPolarHBondContact O-CG 3.3Å; L336-L340 PolarHBondContact O-N 3.09Å; L336-L340 VanDerWaalsContact O-N 3.1Å; K338-L340 VanDerWaalsContact C-N 3.29Å; K338-L340 PolarHBondContact O-N 2.99Å; L340-L344 VanDerWaalsContact O-CB 3.25Å; L340-L344 WeakPolarHBondContact O-CB 3.46Å; L340-L344 PolarHBondContact O-N 3.26Å; L340-V362 HydrophobicContact CD2-CG1 3.85Å; L340-V362 HydrophobicContact CD2-CG2 3.77Å; L340-V362 HydrophobicContact CG-CG2 4.27Å; L340-L392 HydrophobicContact CD1-CD1 3.81Å; L340-L392 HydrophobicContact CD1-CD2 3.97Å; L340-L392 HydrophobicContact CD1-CG 3.93Å
341	S	93.9	Very high	89.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.9	-41.1	176.6	-58.9	0	0	0	0	111.5	L321 W328 I337 K338 L344 V345	L321-S341 WeakPolarHBondContact CD1-OG 3.15Å; L321-S341 WeakPolarHBondContact CG-OG 3.42Å; W328-S341 WeakPolarHBondContact CH2-OG 3.43Å; I337-S341 VanDerWaalsContact O-CB 3.31Å; I337-S341 WeakPolarHBondContact O-CB 3.47Å; I337-S341 PolarHBondContact O-N 2.67Å; I337-S341 PolarHBondContact O-OG 2.97Å; K338-S341 PolarHBondContact O-N 3.11Å; K338-S341 VanDerWaalsContact O-N 3.09Å; S341-L344 PolarHBondContact O-N 3.28Å; S341-V345 WeakPolarHBondContact O-CG2 3.48Å; S341-V345 PolarHBondContact O-N 2.73Å
342	Q	91.4	Very high	89.7	Confident	35 Å²	35	32 Å²	32	16%	0.164	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-47.3	172.6	-69.4	173.6	-21.5	0	0	111.4	K338 V345 L346 L358 I569 F570	K338-Q342 WeakPolarHBondContact O-CG 3.23Å; K338-Q342 PolarHBondContact O-N 2.93Å; Q342-V345 PolarHBondContact O-N 2.82Å; Q342-L346 WeakPolarHBondContact O-CB 3.31Å; Q342-L346 PolarHBondContact O-N 2.86Å; Q342-L358 HydrophobicContact CB-CD2 3.82Å; Q342-I569 HydrophobicContact CB-CG2 4.32Å; Q342-I569 HydrophobicContact CG-CG2 3.36Å; Q342-I569 PolarHBondContact NE2-O 3.34Å; Q342-F570 HydrophobicContact CB-CE1 3.67Å; Q342-F570 HydrophobicContact CB-CZ 3.7Å; Q342-F570 HydrophobicContact CG-CD1 4.02Å; Q342-F570 HydrophobicContact CG-CE1 3.47Å; Q342-F570 VanDerWaalsContact CG-CE1 3.47Å; Q342-F570 HydrophobicContact CG-CZ 3.73Å
343	L	94.1	Very high	89.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-37.6	177.2	-176.1	65.9	0	0	0	112.8	F295 L308 F312 P339 L346 K347 L358 L359 V362	F295-L343 HydrophobicContact CD1-CD1 4.28Å; F295-L343 HydrophobicContact CE1-CD1 3.67Å; F295-L343 HydrophobicContact CE1-CD2 4.47Å; F295-L343 HydrophobicContact CE1-CG 4.07Å; F295-L343 HydrophobicContact CZ-CD1 4.17Å; F295-L343 HydrophobicContact CZ-CD2 4.23Å; F295-L343 HydrophobicContact CZ-CG 4.04Å; L308-L343 HydrophobicContact CD1-CD2 3.9Å; F312-L343 HydrophobicContact CE2-CB 4.42Å; F312-L343 HydrophobicContact CE2-CD2 3.88Å; F312-L343 HydrophobicContact CE2-CG 3.89Å; F312-L343 HydrophobicContact CZ-CB 4.44Å; F312-L343 HydrophobicContact CZ-CD2 4.23Å; F312-L343 HydrophobicContact CZ-CG 4.36Å; P339-L343 VanDerWaalsContact O-CB 3.22Å; P339-L343 WeakPolarHBondContact O-CB 3.33Å; P339-L343 PolarHBondContact O-N 3Å; L343-L346 CarbonylContact O-C 3.55Å; L343-L346 PolarHBondContact O-N 2.91Å; L343-K347 WeakPolarHBondContact O-CA 3.44Å; L343-K347 WeakPolarHBondContact O-CB 3.34Å; L343-K347 PolarHBondContact O-N 2.74Å; L343-L358 HydrophobicContact CB-CB 4.29Å; L343-L358 HydrophobicContact CD1-CB 3.86Å; L343-L358 HydrophobicContact CD1-CD1 4.38Å; L343-L359 HydrophobicContact CD1-CD2 4.42Å; L343-L359 HydrophobicContact CD1-CG 4.1Å; L343-L359 HydrophobicContact CD2-CD2 3.58Å; L343-L359 HydrophobicContact CD2-CG 4.05Å; L343-V362 HydrophobicContact CD2-CG2 4.23Å
344	L	92.3	Very high	90	Very high	5 Å²	5	36 Å²	36	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-42.7	175.3	170.3	62.6	0	0	0	111.8	F312 A318 L321 L322 L340 S341 K347	F312-L344 HydrophobicContact CB-CD1 3.73Å; F312-L344 HydrophobicContact CD1-CB 4.03Å; F312-L344 HydrophobicContact CD1-CD1 3.74Å; F312-L344 HydrophobicContact CD1-CG 4.3Å; F312-L344 HydrophobicContact CD2-CD1 4.48Å; F312-L344 HydrophobicContact CE1-CB 3.86Å; F312-L344 HydrophobicContact CE1-CD1 4.45Å; F312-L344 HydrophobicContact CE2-CB 4.5Å; F312-L344 HydrophobicContact CG-CB 4.42Å; F312-L344 HydrophobicContact CG-CD1 3.75Å; F312-L344 HydrophobicContact CZ-CB 4.1Å; A318-L344 HydrophobicContact CB-CD1 4.07Å; A318-L344 HydrophobicContact CB-CD2 3.85Å; L321-L344 HydrophobicContact CB-CD2 4.42Å; L321-L344 HydrophobicContact CD2-CD2 3.84Å; L321-L344 HydrophobicContact CG-CD2 4.45Å; L322-L344 HydrophobicContact CD1-CD2 3.56Å; L322-L344 HydrophobicContact CD1-CG 3.92Å; L322-L344 HydrophobicContact CD2-CD2 4.33Å; L322-L344 HydrophobicContact CG-CD2 3.79Å; L340-L344 VanDerWaalsContact O-CB 3.25Å; L340-L344 WeakPolarHBondContact O-CB 3.46Å; L340-L344 PolarHBondContact O-N 3.26Å; S341-L344 PolarHBondContact O-N 3.28Å; L344-K347 HydrophobicContact CD1-CD 4.08Å; L344-K347 WeakPolarHBondContact O-CG 3.35Å
345	V	88	Confident	90.2	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-43.8	175.4	166.1	0	0	0	0	110.7	L322 S341 Q342 M566 I569 F570 F889	L322-V345 HydrophobicContact CD1-CG2 3.94Å; L322-V345 HydrophobicContact CD2-CG2 3.91Å; S341-V345 WeakPolarHBondContact O-CG2 3.48Å; S341-V345 PolarHBondContact O-N 2.73Å; Q342-V345 PolarHBondContact O-N 2.82Å; V345-M566 HydrophobicContact CG1-CE 3.5Å; V345-M566 HydrophobicContact CG1-CG 4.4Å; V345-I569 HydrophobicContact CG2-CD1 4.15Å; V345-F570 HydrophobicContact CG1-CE2 4.15Å; V345-F889 HydrophobicContact CB-CE2 4.24Å; V345-F889 HydrophobicContact CB-CZ 4.17Å; V345-F889 HydrophobicContact CG1-CD1 4.11Å; V345-F889 HydrophobicContact CG1-CE1 3.73Å; V345-F889 HydrophobicContact CG1-CE2 4.22Å; V345-F889 HydrophobicContact CG1-CG 4.5Å; V345-F889 HydrophobicContact CG1-CZ 3.8Å; V345-F889 HydrophobicContact CG2-CE2 4.09Å; V345-F889 HydrophobicContact CG2-CZ 3.85Å; V345-F889 VanDerWaalsContact O-CD2 3.29Å; V345-F889 WeakPolarHBondContact O-CD2 3.47Å; V345-F889 VanDerWaalsContact O-CG 3.32Å; V345-F889 WeakPolarHBondContact O-CG 3.29Å
346	L	87.7	Confident	90.3	Very high	28 Å²	28	31.9 Å²	31.9	15%	0.147	15%	0.154	C	C	.	.	H	α-helix	trans	-92.3	5.5	-175.4	-64	177.1	0	0	0	114.5	Q342 L343 D348 I349 I354 L358 F570	Q342-L346 WeakPolarHBondContact O-CB 3.31Å; Q342-L346 PolarHBondContact O-N 2.86Å; L343-L346 CarbonylContact O-C 3.55Å; L343-L346 PolarHBondContact O-N 2.91Å; L346-D348 PolarHBondContact O-N 3.41Å; L346-I349 HydrophobicContact CB-CD1 4.11Å; L346-I349 HydrophobicContact CB-CG2 4.43Å; L346-I349 HydrophobicContact CD2-CD1 4.36Å; L346-I349 HydrophobicContact CD2-CG2 3.97Å; L346-I349 WeakPolarHBondContact O-CG1 3.48Å; L346-I349 PolarHBondContact O-N 3.42Å; L346-I354 HydrophobicContact CD1-CG2 4.05Å; L346-L358 HydrophobicContact CB-CD1 4.26Å; L346-L358 HydrophobicContact CD1-CD1 3.81Å; L346-F570 HydrophobicContact CD1-CE1 3.9Å; L346-F570 HydrophobicContact CD1-CE2 4.32Å; L346-F570 HydrophobicContact CD1-CZ 3.44Å; L346-F570 VanDerWaalsContact CD1-CZ 3.44Å; L346-F570 HydrophobicContact CG-CE2 4.43Å; L346-F570 HydrophobicContact CG-CZ 3.87Å
347	K	86.8	Confident	90.2	Very high	27 Å²	27	37 Å²	37	12%	0.117	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.6	-173.8	72.4	-178.8	171.4	57.1	0	114.4	F295 F312 L343 L344 K355	F295-K347 HydrophobicContact CE1-CB 3.9Å; F295-K347 HydrophobicContact CZ-CB 3.85Å; F312-K347 HydrophobicContact CB-CD 3.96Å; F312-K347 HydrophobicContact CD2-CD 4.35Å; L343-K347 WeakPolarHBondContact O-CA 3.44Å; L343-K347 WeakPolarHBondContact O-CB 3.34Å; L343-K347 PolarHBondContact O-N 2.74Å; L344-K347 HydrophobicContact CD1-CD 4.08Å; L344-K347 WeakPolarHBondContact O-CG 3.35Å; K347-K355 WeakPolarHBondContact O-CE 3.3Å; K347-K355 PolarHBondContact O-NZ 3.06Å
348	D	82.7	Confident	90.2	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.032	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.2	-175.3	-57.4	-55.3	0	0	0	113.7	R292 L346 G888 F889 T890	R292-D348 IonicContact CZ-OD1 2.73Å; R292-D348 VanDerWaalsContact CZ-OD1 3.31Å; R292-D348 IonicContact NE-OD1 2.71Å; R292-D348 PolarHBondContact NE-OD1 3.44Å; R292-D348 VanDerWaalsContact NE-OD1 3.1Å; R292-D348 IonicContact NH2-OD1 3.56Å; R292-D348 PolarHBondContact NH2-OD1 3.31Å; L346-D348 PolarHBondContact O-N 3.41Å; D348-G888 WeakPolarHBondContact OD2-CA 3.3Å; D348-F889 PolarHBondContact OD2-N 2.8Å; D348-T890 HydrophobicContact CB-CG2 3.84Å
349	I	83.8	Confident	90.3	Very high	34 Å²	34	36.6 Å²	36.6	17%	0.174	18%	0.176	C	C	.	.			trans	-70.9	157.6	176.5	77.6	-178	0	0	0	111.8	L346 D351 I354 K355	L346-I349 HydrophobicContact CB-CD1 4.11Å; L346-I349 HydrophobicContact CB-CG2 4.43Å; L346-I349 HydrophobicContact CD2-CD1 4.36Å; L346-I349 HydrophobicContact CD2-CG2 3.97Å; L346-I349 WeakPolarHBondContact O-CG1 3.48Å; L346-I349 PolarHBondContact O-N 3.42Å; I349-D351 VanDerWaalsContact C-N 3.32Å; I349-D351 HydrophobicContact CD1-CB 3.77Å; I349-D351 HydrophobicContact CG1-CB 4.04Å; I349-I354 HydrophobicContact CD1-CB 4.11Å; I349-I354 HydrophobicContact CD1-CD1 4.43Å; I349-I354 HydrophobicContact CD1-CG2 3.88Å; I349-K355 HydrophobicContact CG1-CG 4.4Å; I349-K355 WeakPolarHBondContact O-CE 3.45Å; I349-K355 PolarHBondContact O-NZ 2.96Å
350	R	82.2	Confident	90.4	Very high	150 Å²	150	40.5 Å²	40.5	57%	0.566	20%	0.196	S	C	*	.	S	Bend	trans	-94.9	21.8	176.5	-49.9	-174.2	-164.6	170.6	5.3	113.7	E293 E894	E293-R350 WeakPolarHBondContact OE2-CA 3.41Å; R350-E894 IonicContact CZ-OE1 3.43Å; R350-E894 IonicContact NE-OE1 2.75Å; R350-E894 IonicContact NH2-OE1 3.57Å; R350-E894 PolarHBondContact NH2-OE1 3.1Å
351	D	85	Confident	90.4	Very high	65 Å²	65	42.4 Å²	42.4	35%	0.348	21%	0.208	S	C	.	.			trans	-102	104	176.5	-167.8	-47.1	0	0	0	109.3	I349 E353 I354 K355	I349-D351 VanDerWaalsContact C-N 3.32Å; I349-D351 HydrophobicContact CD1-CB 3.77Å; I349-D351 HydrophobicContact CG1-CB 4.04Å; D351-E353 VanDerWaalsContact C-N 3.34Å; D351-E353 PolarHBondContact OD1-N 2.8Å; D351-I354 HydrophobicContact CB-CB 4.2Å; D351-I354 HydrophobicContact CB-CD1 4.1Å; D351-I354 HydrophobicContact CB-CG1 4.3Å; D351-I354 PolarHBondContact OD1-N 2.89Å; D351-I354 WeakPolarHBondContact OD2-CD1 3.44Å; D351-K355 WeakPolarHBondContact O-CB 3.3Å; D351-K355 WeakPolarHBondContact O-CD 3.48Å; D351-K355 VanDerWaalsContact O-CG 3.29Å; D351-K355 WeakPolarHBondContact O-CG 3.37Å; D351-K355 PolarHBondContact O-N 2.93Å
352	V	88.1	Confident	90.5	Very high	62 Å²	62	42.4 Å²	42.4	38%	0.376	21%	0.208	S	C	.	.	H	α-helix	trans	-72.6	-28.1	-178.6	-174.2	0	0	0	0	111.5	E293 P296 G356	E293-V352 VanDerWaalsContact OE2-CG2 3.31Å; E293-V352 WeakPolarHBondContact OE2-CG2 3.41Å; P296-V352 HydrophobicContact CB-CG1 3.79Å; P296-V352 HydrophobicContact CG-CG1 3.99Å; V352-G356 PolarHBondContact O-N 2.89Å
353	E	90.1	Very high	90.7	Very high	149 Å²	149	41.2 Å²	41.2	70%	0.696	20%	0.202	S	C	*	.	H	α-helix	trans	-75.7	-47.5	-177.7	-172.9	169.3	-177.1	0	0	110.9	D351 K355 G356 Q357	D351-E353 VanDerWaalsContact C-N 3.34Å; D351-E353 PolarHBondContact OD1-N 2.8Å; E353-K355 VanDerWaalsContact C-N 3.33Å; E353-K355 PolarHBondContact O-N 3.13Å; E353-G356 PolarHBondContact O-N 2.71Å; E353-G356 VanDerWaalsContact O-N 3.12Å; E353-Q357 PolarHBondContact O-N 2.75Å
354	I	89.1	Confident	90.8	Very high	67 Å²	67	46.1 Å²	46.1	34%	0.344	22%	0.223	S	C	.	.	H	α-helix	trans	-58.7	-45.7	173.2	-66.9	175.7	0	0	0	110.4	L346 I349 D351 G356 Q357 L358	L346-I354 HydrophobicContact CD1-CG2 4.05Å; I349-I354 HydrophobicContact CD1-CB 4.11Å; I349-I354 HydrophobicContact CD1-CD1 4.43Å; I349-I354 HydrophobicContact CD1-CG2 3.88Å; D351-I354 HydrophobicContact CB-CB 4.2Å; D351-I354 HydrophobicContact CB-CD1 4.1Å; D351-I354 HydrophobicContact CB-CG1 4.3Å; D351-I354 PolarHBondContact OD1-N 2.89Å; D351-I354 WeakPolarHBondContact OD2-CD1 3.44Å; I354-G356 PolarHBondContact O-N 3.43Å; I354-Q357 PolarHBondContact O-N 3.21Å; I354-L358 HydrophobicContact CG2-CD1 3.96Å; I354-L358 WeakPolarHBondContact O-CG 3.49Å; I354-L358 PolarHBondContact O-N 3.32Å
355	K	91.7	Very high	90.9	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-46.8	173.7	-79.6	173.3	163.3	-177.7	0	111.8	E293 G294 P296 K347 I349 D351 E353 Q357 L358 L359	E293-K355 PolarHBondContact O-NZ 2.73Å; G294-K355 WeakPolarHBondContact O-CD 3.27Å; G294-K355 WeakPolarHBondContact O-CE 3.37Å; G294-K355 PolarHBondContact O-NZ 2.81Å; P296-K355 HydrophobicContact CG-CB 4.26Å; K347-K355 WeakPolarHBondContact O-CE 3.3Å; K347-K355 PolarHBondContact O-NZ 3.06Å; I349-K355 HydrophobicContact CG1-CG 4.4Å; I349-K355 WeakPolarHBondContact O-CE 3.45Å; I349-K355 PolarHBondContact O-NZ 2.96Å; D351-K355 WeakPolarHBondContact O-CB 3.3Å; D351-K355 WeakPolarHBondContact O-CD 3.48Å; D351-K355 VanDerWaalsContact O-CG 3.29Å; D351-K355 WeakPolarHBondContact O-CG 3.37Å; D351-K355 PolarHBondContact O-N 2.93Å; E353-K355 VanDerWaalsContact C-N 3.33Å; E353-K355 PolarHBondContact O-N 3.13Å; K355-Q357 PolarHBondContact O-N 3.13Å; K355-L358 PolarHBondContact O-N 2.95Å; K355-L359 WeakPolarHBondContact O-CB 3.45Å; K355-L359 VanDerWaalsContact O-CD1 3.32Å; K355-L359 WeakPolarHBondContact O-CD1 3.47Å; K355-L359 VanDerWaalsContact O-CG 3.25Å; K355-L359 WeakPolarHBondContact O-CG 3.43Å; K355-L359 PolarHBondContact O-N 2.8Å
356	G	95	Very high	91.3	Very high	8 Å²	8	46.4 Å²	46.4	8%	0.082	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-45	178.1	0	0	0	0	0	112.9	V352 E353 I354 L358 L359 M360	V352-G356 PolarHBondContact O-N 2.89Å; E353-G356 PolarHBondContact O-N 2.71Å; E353-G356 VanDerWaalsContact O-N 3.12Å; I354-G356 PolarHBondContact O-N 3.43Å; G356-L358 PolarHBondContact O-N 2.95Å; G356-L359 PolarHBondContact O-N 2.83Å; G356-M360 WeakPolarHBondContact O-CB 3.34Å; G356-M360 WeakPolarHBondContact O-CG 3.48Å; G356-M360 PolarHBondContact O-N 2.82Å
357	Q	94.1	Very high	91.6	Very high	109 Å²	109	45.4 Å²	45.4	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-66.2	-38	179.1	-176.7	54.3	40.2	0	0	112.4	E353 I354 K355 T361	E353-Q357 PolarHBondContact O-N 2.75Å; I354-Q357 PolarHBondContact O-N 3.21Å; K355-Q357 PolarHBondContact O-N 3.13Å; Q357-T361 PolarHBondContact O-N 2.8Å; Q357-T361 PolarHBondContact O-OG1 2.83Å
358	L	94.3	Very high	91.9	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-68.5	-42.9	174.8	-70.9	167.1	0	0	0	111.9	Q342 L343 L346 I354 K355 G356 T361 V362	Q342-L358 HydrophobicContact CB-CD2 3.82Å; L343-L358 HydrophobicContact CB-CB 4.29Å; L343-L358 HydrophobicContact CD1-CB 3.86Å; L343-L358 HydrophobicContact CD1-CD1 4.38Å; L346-L358 HydrophobicContact CB-CD1 4.26Å; L346-L358 HydrophobicContact CD1-CD1 3.81Å; I354-L358 HydrophobicContact CG2-CD1 3.96Å; I354-L358 WeakPolarHBondContact O-CG 3.49Å; I354-L358 PolarHBondContact O-N 3.32Å; K355-L358 PolarHBondContact O-N 2.95Å; G356-L358 PolarHBondContact O-N 2.95Å; L358-T361 WeakPolarHBondContact O-CB 3.49Å; L358-T361 PolarHBondContact O-N 2.92Å; L358-T361 VanDerWaalsContact O-N 3.13Å; L358-V362 WeakPolarHBondContact O-CG2 3.05Å; L358-V362 PolarHBondContact O-N 2.73Å
359	L	96.5	Very high	92.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-40	174.6	-72.8	159.6	0	0	0	112.1	F295 P296 L298 M304 L308 L343 K355 G356 T361 V362 K363	F295-L359 HydrophobicContact CB-CD1 3.66Å; F295-L359 HydrophobicContact CB-CD2 4.41Å; F295-L359 HydrophobicContact CD1-CD1 3.99Å; F295-L359 HydrophobicContact CD1-CD2 4.47Å; F295-L359 HydrophobicContact CD2-CD2 4.26Å; F295-L359 HydrophobicContact CG-CD1 3.94Å; F295-L359 HydrophobicContact CG-CD2 4.15Å; P296-L359 HydrophobicContact CG-CD1 3.83Å; L298-L359 HydrophobicContact CD1-CB 3.53Å; M304-L359 HydrophobicContact CE-CB 4.07Å; M304-L359 HydrophobicContact CE-CD2 4.08Å; L308-L359 HydrophobicContact CD1-CD2 3.63Å; L343-L359 HydrophobicContact CD1-CD2 4.42Å; L343-L359 HydrophobicContact CD1-CG 4.1Å; L343-L359 HydrophobicContact CD2-CD2 3.58Å; L343-L359 HydrophobicContact CD2-CG 4.05Å; K355-L359 WeakPolarHBondContact O-CB 3.45Å; K355-L359 VanDerWaalsContact O-CD1 3.32Å; K355-L359 WeakPolarHBondContact O-CD1 3.47Å; K355-L359 VanDerWaalsContact O-CG 3.25Å; K355-L359 WeakPolarHBondContact O-CG 3.43Å; K355-L359 PolarHBondContact O-N 2.8Å; G356-L359 PolarHBondContact O-N 2.83Å; L359-T361 VanDerWaalsContact C-N 3.27Å; L359-T361 PolarHBondContact O-N 2.84Å; L359-V362 PolarHBondContact O-N 2.8Å; L359-K363 WeakPolarHBondContact O-CB 3.42Å; L359-K363 PolarHBondContact O-N 2.85Å
360	M	95.7	Very high	92.8	Very high	84 Å²	84	50.6 Å²	50.6	41%	0.414	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-37.8	170.7	-81.1	-61.4	-68.8	0	0	111.9	L298 G356 K364	L298-M360 HydrophobicContact CB-SD 4.29Å; L298-M360 HydrophobicContact CD1-CB 4.48Å; L298-M360 HydrophobicContact CD1-CG 3.73Å; L298-M360 HydrophobicContact CD1-SD 3.84Å; L298-M360 HydrophobicContact CD2-CG 4.09Å; L298-M360 HydrophobicContact CD2-SD 4.47Å; L298-M360 HydrophobicContact CG-CG 4.45Å; L298-M360 HydrophobicContact CG-SD 4.44Å; G356-M360 WeakPolarHBondContact O-CB 3.34Å; G356-M360 WeakPolarHBondContact O-CG 3.48Å; G356-M360 PolarHBondContact O-N 2.82Å; M360-K364 VanDerWaalsContact O-CB 3.26Å; M360-K364 WeakPolarHBondContact O-CB 3.41Å; M360-K364 PolarHBondContact O-N 2.84Å
361	T	95.8	Very high	93.3	Very high	42 Å²	42	49.5 Å²	49.5	26%	0.258	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-44.9	176.3	-53.6	0	0	0	0	111.1	P339 Q357 L358 L359 K364 T365	P339-T361 HydrophobicContact CB-CG2 3.78Å; P339-T361 HydrophobicContact CG-CG2 4.17Å; Q357-T361 PolarHBondContact O-N 2.8Å; Q357-T361 PolarHBondContact O-OG1 2.83Å; L358-T361 WeakPolarHBondContact O-CB 3.49Å; L358-T361 PolarHBondContact O-N 2.92Å; L358-T361 VanDerWaalsContact O-N 3.13Å; L359-T361 VanDerWaalsContact C-N 3.27Å; L359-T361 PolarHBondContact O-N 2.84Å; T361-K364 PolarHBondContact O-N 3.36Å; T361-T365 PolarHBondContact O-N 2.82Å; T361-T365 PolarHBondContact O-OG1 2.83Å
362	V	96.4	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-48	173.5	170.8	0	0	0	0	111.6	M304 L308 L336 P339 L340 L343 L358 L359 K364 T365 I366	M304-V362 HydrophobicContact SD-CG1 3.98Å; L308-V362 HydrophobicContact CD1-CG1 4.32Å; L336-V362 HydrophobicContact CD1-CG1 4.15Å; P339-V362 HydrophobicContact CB-CG2 4.04Å; P339-V362 HydrophobicContact CG-CG2 4.48Å; L340-V362 HydrophobicContact CD2-CG1 3.85Å; L340-V362 HydrophobicContact CD2-CG2 3.77Å; L340-V362 HydrophobicContact CG-CG2 4.27Å; L343-V362 HydrophobicContact CD2-CG2 4.23Å; L358-V362 WeakPolarHBondContact O-CG2 3.05Å; L358-V362 PolarHBondContact O-N 2.73Å; L359-V362 PolarHBondContact O-N 2.8Å; V362-K364 PolarHBondContact O-N 2.86Å; V362-T365 PolarHBondContact O-N 3.48Å; V362-I366 HydrophobicContact CG1-CD1 4.13Å; V362-I366 PolarHBondContact O-N 2.91Å; V362-I366 VanDerWaalsContact O-N 3.09Å
363	K	96	Very high	93.9	Very high	9 Å²	9	47 Å²	47	4%	0.039	25%	0.25	C	C	.	.	H	α-helix	trans	-57.1	-50	175.4	-179.6	177.8	180	173.3	0	110.9	T301 M304 L359 T365 I366 S367 F373 G375 D376	T301-K363 HydrophobicContact CG2-CD 4.23Å; M304-K363 HydrophobicContact CE-CB 4.09Å; M304-K363 HydrophobicContact SD-CB 4.19Å; L359-K363 WeakPolarHBondContact O-CB 3.42Å; L359-K363 PolarHBondContact O-N 2.85Å; K363-T365 PolarHBondContact O-N 3.22Å; K363-I366 PolarHBondContact O-N 2.91Å; K363-S367 WeakPolarHBondContact O-CB 3.46Å; K363-S367 PolarHBondContact O-N 2.73Å; K363-S367 PolarHBondContact O-OG 3.47Å; K363-F373 WeakPolarHBondContact CE-O 3.21Å; K363-G375 WeakPolarHBondContact CE-O 3.41Å; K363-G375 PolarHBondContact NZ-O 2.9Å; K363-D376 IonicContact NZ-OD1 2.66Å; K363-D376 PolarHBondContact NZ-OD1 3.16Å
364	K	94.8	Very high	93.9	Very high	103 Å²	103	45.8 Å²	45.8	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-57.5	-49.5	178.7	-176.2	-168.2	174	-159.3	0	111.3	M360 T361 V362 I366 S367 T368	M360-K364 VanDerWaalsContact O-CB 3.26Å; M360-K364 WeakPolarHBondContact O-CB 3.41Å; M360-K364 PolarHBondContact O-N 2.84Å; T361-K364 PolarHBondContact O-N 3.36Å; V362-K364 PolarHBondContact O-N 2.86Å; K364-I366 PolarHBondContact O-N 2.88Å; K364-S367 WeakPolarHBondContact O-CB 3.13Å; K364-S367 PolarHBondContact O-N 3.21Å; K364-T368 WeakPolarHBondContact O-CG2 3.1Å; K364-T368 PolarHBondContact O-N 3.08Å
365	T	95.3	Very high	93.9	Very high	14 Å²	14	44.1 Å²	44.1	9%	0.086	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-47.1	-178.9	-64.7	0	0	0	0	111.8	D334 L336 T361 V362 K363 S367 T368	D334-T365 WeakPolarHBondContact O-CG2 3.46Å; L336-T365 HydrophobicContact CB-CG2 3.71Å; L336-T365 HydrophobicContact CD1-CG2 4.04Å; L336-T365 HydrophobicContact CG-CG2 4.46Å; T361-T365 PolarHBondContact O-N 2.82Å; T361-T365 PolarHBondContact O-OG1 2.83Å; V362-T365 PolarHBondContact O-N 3.48Å; K363-T365 PolarHBondContact O-N 3.22Å; T365-S367 VanDerWaalsContact C-N 3.27Å; T365-S367 PolarHBondContact O-N 2.85Å; T365-T368 WeakPolarHBondContact O-CB 3.49Å; T365-T368 PolarHBondContact O-N 2.71Å; T365-T368 VanDerWaalsContact O-N 3.08Å; T365-T368 PolarHBondContact O-OG1 3.45Å
366	I	95.5	Very high	93.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-33.6	177.8	-69.7	170	0	0	0	111.1	L336 V362 K363 K364 T368 V369 A370 F373 F384 Q387 C388	L336-I366 HydrophobicContact CD1-CD1 4.07Å; L336-I366 HydrophobicContact CD1-CG1 3.88Å; L336-I366 HydrophobicContact CD2-CD1 3.99Å; L336-I366 HydrophobicContact CD2-CG1 3.8Å; L336-I366 HydrophobicContact CG-CG1 4.49Å; V362-I366 HydrophobicContact CG1-CD1 4.13Å; V362-I366 PolarHBondContact O-N 2.91Å; V362-I366 VanDerWaalsContact O-N 3.09Å; K363-I366 PolarHBondContact O-N 2.91Å; K364-I366 PolarHBondContact O-N 2.88Å; I366-T368 PolarHBondContact O-N 2.87Å; I366-V369 WeakPolarHBondContact O-CG2 3.48Å; I366-V369 PolarHBondContact O-N 2.86Å; I366-A370 PolarHBondContact O-N 2.84Å; I366-A370 VanDerWaalsContact O-N 3.14Å; I366-F373 HydrophobicContact CG2-CD2 3.85Å; I366-F373 HydrophobicContact CG2-CE2 4.42Å; I366-F373 HydrophobicContact CG2-CG 4.36Å; I366-F384 HydrophobicContact CB-CE2 4.4Å; I366-F384 HydrophobicContact CD1-CD2 4.3Å; I366-F384 HydrophobicContact CD1-CE1 4.45Å; I366-F384 HydrophobicContact CD1-CE2 3.37Å; I366-F384 HydrophobicContact CD1-CZ 3.45Å; I366-F384 VanDerWaalsContact CD1-CZ 3.45Å; I366-F384 HydrophobicContact CG1-CE2 4.45Å; I366-F384 HydrophobicContact CG2-CD2 4.29Å; I366-F384 HydrophobicContact CG2-CE2 4.09Å; I366-Q387 HydrophobicContact CG2-CB 4.2Å; I366-C388 HydrophobicContact CD1-CB 4.04Å
367	S	95	Very high	93.7	Very high	8 Å²	8	55 Å²	55	6%	0.056	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-17.3	174.3	-53.5	0	0	0	0	114	K363 K364 T365 V369 F373 L374	K363-S367 WeakPolarHBondContact O-CB 3.46Å; K363-S367 PolarHBondContact O-N 2.73Å; K363-S367 PolarHBondContact O-OG 3.47Å; K364-S367 WeakPolarHBondContact O-CB 3.13Å; K364-S367 PolarHBondContact O-N 3.21Å; T365-S367 VanDerWaalsContact C-N 3.27Å; T365-S367 PolarHBondContact O-N 2.85Å; S367-V369 VanDerWaalsContact C-N 3.26Å; S367-V369 PolarHBondContact O-N 3.23Å; S367-F373 VanDerWaalsContact OG-C 3.24Å; S367-F373 PolarHBondContact OG-O 2.69Å; S367-F373 VanDerWaalsContact OG-O 3.14Å; S367-L374 WeakPolarHBondContact OG-CA 3.4Å; S367-L374 PolarHBondContact OG-N 2.93Å
368	T	93.3	Very high	93.6	Very high	99 Å²	99	51.7 Å²	51.7	61%	0.607	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.6	176	69.2	0	0	0	0	113.8	K364 T365 I366	K364-T368 WeakPolarHBondContact O-CG2 3.1Å; K364-T368 PolarHBondContact O-N 3.08Å; T365-T368 WeakPolarHBondContact O-CB 3.49Å; T365-T368 PolarHBondContact O-N 2.71Å; T365-T368 VanDerWaalsContact O-N 3.08Å; T365-T368 PolarHBondContact O-OG1 3.45Å; I366-T368 PolarHBondContact O-N 2.87Å
369	V	91.9	Very high	93.5	Very high	68 Å²	68	51.6 Å²	51.6	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-15.5	180	-64.3	0	0	0	0	113.4	I366 S367 Q391	I366-V369 WeakPolarHBondContact O-CG2 3.48Å; I366-V369 PolarHBondContact O-N 2.86Å; S367-V369 VanDerWaalsContact C-N 3.26Å; S367-V369 PolarHBondContact O-N 3.23Å; V369-Q391 HydrophobicContact CG2-CG 3.77Å
370	A	93.4	Very high	93.4	Very high	8 Å²	8	52.7 Å²	52.7	7%	0.066	29%	0.288	C	S	.	.			trans	-144.9	85.8	-177.5	0	0	0	0	0	110.2	I366 T372 F373 Q387	I366-A370 PolarHBondContact O-N 2.84Å; I366-A370 VanDerWaalsContact O-N 3.14Å; A370-T372 PolarHBondContact O-N 3.24Å; A370-F373 HydrophobicContact CB-CD2 3.75Å; A370-F373 HydrophobicContact CB-CE2 3.94Å; A370-F373 PolarHBondContact O-N 3.41Å; A370-Q387 HydrophobicContact CB-CG 4.06Å
371	D	93.1	Very high	93.5	Very high	128 Å²	128	48.7 Å²	48.7	68%	0.684	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-48.2	-25.1	-179	-59.7	4.8	0	0	0	114.3	F373 L374	D371-F373 PolarHBondContact O-N 2.97Å; D371-F373 VanDerWaalsContact O-N 3.16Å; D371-L374 WeakPolarHBondContact O-CB 3.46Å; D371-L374 PolarHBondContact O-N 3.3Å
372	T	92.1	Very high	93.5	Very high	74 Å²	74	47.7 Å²	47.7	45%	0.454	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-50.2	-36	175.2	-31.6	0	0	0	0	112.8	A370 N379	A370-T372 PolarHBondContact O-N 3.24Å; T372-N379 WeakPolarHBondContact CG2-OD1 3.27Å; T372-N379 PolarHBondContact O-OD1 3.27Å
373	F	93.4	Very high	93.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-90.3	-0.3	-177.1	-56.4	-70.8	0	0	0	114.4	Y303 K363 I366 S367 A370 D371 G375 N379 E383 F384 Q387	Y303-F373 HydrophobicContact CD2-CD1 4.5Å; Y303-F373 HydrophobicContact CD2-CE1 4.29Å; Y303-F373 AromaticContact CE2-CD1 3.53Å; Y303-F373 HydrophobicContact CE2-CD1 3.53Å; Y303-F373 AromaticContact CE2-CE1 3.73Å; Y303-F373 HydrophobicContact CE2-CE1 3.73Å; Y303-F373 AromaticContact CZ-CD1 3.88Å; K363-F373 WeakPolarHBondContact CE-O 3.21Å; I366-F373 HydrophobicContact CG2-CD2 3.85Å; I366-F373 HydrophobicContact CG2-CE2 4.42Å; I366-F373 HydrophobicContact CG2-CG 4.36Å; S367-F373 VanDerWaalsContact OG-C 3.24Å; S367-F373 PolarHBondContact OG-O 2.69Å; S367-F373 VanDerWaalsContact OG-O 3.14Å; A370-F373 HydrophobicContact CB-CD2 3.75Å; A370-F373 HydrophobicContact CB-CE2 3.94Å; A370-F373 PolarHBondContact O-N 3.41Å; D371-F373 PolarHBondContact O-N 2.97Å; D371-F373 VanDerWaalsContact O-N 3.16Å; F373-G375 PolarHBondContact O-N 2.91Å; F373-N379 HydrophobicContact CD1-CB 4.02Å; F373-N379 HydrophobicContact CE1-CB 3.83Å; F373-E383 HydrophobicContact CE2-CG 4.47Å; F373-E383 HydrophobicContact CZ-CB 4.23Å; F373-E383 HydrophobicContact CZ-CG 3.99Å; F373-F384 HydrophobicContact CD1-CD2 4.03Å; F373-F384 HydrophobicContact CE1-CB 3.75Å; F373-F384 AromaticContact CE1-CD2 3.97Å; F373-F384 HydrophobicContact CE1-CD2 3.97Å; F373-F384 HydrophobicContact CE1-CG 4.36Å; F373-F384 HydrophobicContact CG-CD2 4.4Å; F373-F384 HydrophobicContact CZ-CB 3.93Å; F373-F384 HydrophobicContact CZ-CD2 4.33Å; F373-Q387 HydrophobicContact CE2-CG 4Å
374	L	90.1	Very high	93.6	Very high	123 Å²	123	50.9 Å²	50.9	64%	0.644	28%	0.276	S	S	*	.	S	Bend	trans	-68.2	-32.9	-176	-175.2	65.2	0	0	0	113	S367 D371	S367-L374 WeakPolarHBondContact OG-CA 3.4Å; S367-L374 PolarHBondContact OG-N 2.93Å; D371-L374 WeakPolarHBondContact O-CB 3.46Å; D371-L374 PolarHBondContact O-N 3.3Å
375	G	89.6	Confident	93.8	Very high	32 Å²	32	46 Å²	46	33%	0.33	26%	0.255	S	S	.	.	S	Bend	trans	-89.1	176.6	-179.7	0	0	0	0	0	113.9	K363 F373 E377	K363-G375 WeakPolarHBondContact CE-O 3.41Å; K363-G375 PolarHBondContact NZ-O 2.9Å; F373-G375 PolarHBondContact O-N 2.91Å; G375-E377 VanDerWaalsContact C-N 3.28Å; G375-E377 PolarHBondContact O-N 3.32Å
376	D	90.4	Very high	93.9	Very high	96 Å²	96	46.5 Å²	46.5	51%	0.513	26%	0.259	S	S	.	.	S	Bend	trans	-98.1	31.3	176.2	-49.9	-48.5	0	0	0	111.6	N300 K363	N300-D376 WeakPolarHBondContact CB-O 3.32Å; N300-D376 PolarHBondContact ND2-O 3.38Å; K363-D376 IonicContact NZ-OD1 2.66Å; K363-D376 PolarHBondContact NZ-OD1 3.16Å
377	E	91.4	Very high	94	Very high	141 Å²	141	49.1 Å²	49.1	66%	0.659	27%	0.271	S	S	*	.	S	Bend	trans	-82	157.2	174.9	-61.9	-69.2	173.6	0	0	110.8	G375 N379	G375-E377 VanDerWaalsContact C-N 3.28Å; G375-E377 PolarHBondContact O-N 3.32Å; E377-N379 PolarHBondContact O-ND2 3.24Å
378	Q	91.1	Very high	94.1	Very high	40 Å²	40	49 Å²	49	19%	0.187	27%	0.27	C	S	.	.			trans	-70.6	139.3	169.8	-66.1	-154.9	-4.2	0	0	111.1	N300 S806 G807	N300-Q378 HydrophobicContact CB-CG 3.81Å; N300-Q378 VanDerWaalsContact CG-CG 3.43Å; N300-Q378 WeakPolarHBondContact OD1-CG 3.48Å; N300-Q378 PolarHBondContact OD1-NE2 2.77Å; Q378-S806 VanDerWaalsContact OE1-C 3.24Å; Q378-G807 PolarHBondContact NE2-O 3.37Å; Q378-G807 PolarHBondContact OE1-O 3.09Å
379	N	93.8	Very high	94.4	Very high	14 Å²	14	44.3 Å²	44.3	8%	0.075	24%	0.241	C	C	.	.			trans	-134.8	163.4	-173.3	-83.1	-79.6	0	0	0	111.4	Y303 T372 F373 E377	Y303-N379 WeakPolarHBondContact CB-O 3.38Å; Y303-N379 HydrophobicContact CD1-CB 3.84Å; Y303-N379 HydrophobicContact CD2-CB 3.98Å; Y303-N379 HydrophobicContact CE1-CB 3.78Å; Y303-N379 HydrophobicContact CE2-CB 3.94Å; Y303-N379 HydrophobicContact CG-CB 3.97Å; T372-N379 WeakPolarHBondContact CG2-OD1 3.27Å; T372-N379 PolarHBondContact O-OD1 3.27Å; F373-N379 HydrophobicContact CD1-CB 4.02Å; F373-N379 HydrophobicContact CE1-CB 3.83Å; E377-N379 PolarHBondContact O-ND2 3.24Å
380	D	94.4	Very high	94.6	Very high	23 Å²	23	45.1 Å²	45.1	12%	0.123	24%	0.241	C	C	.	.			trans	-80.4	127.8	178.9	-172.8	-93	0	0	0	112.5	H382 E383 F384 Y511 Y846	D380-H382 VanDerWaalsContact C-N 3.33Å; D380-H382 PolarHBondContact O-N 3.28Å; D380-H382 VanDerWaalsContact OD1-CA 3.31Å; D380-H382 WeakPolarHBondContact OD1-CA 3.5Å; D380-H382 VanDerWaalsContact OD1-CB 3.26Å; D380-H382 WeakPolarHBondContact OD1-CB 3.33Å; D380-H382 PolarHBondContact OD1-N 2.93Å; D380-E383 HydrophobicContact CB-CB 4.16Å; D380-E383 PolarHBondContact O-N 3.34Å; D380-E383 PolarHBondContact OD1-N 3.17Å; D380-F384 PolarHBondContact O-N 3.41Å; D380-Y511 WeakPolarHBondContact OD2-CE2 3.39Å; D380-Y846 PolarHBondContact OD2-OH 3.05Å; D380-Y846 VanDerWaalsContact OD2-OH 3.07Å
381	A	96.4	Very high	94.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-30	-178.7	0	0	0	0	0	113.2	I307 L385 V797 Y809 I847	I307-A381 HydrophobicContact CD1-CB 4.17Å; I307-A381 WeakPolarHBondContact CD1-O 3.28Å; I307-A381 HydrophobicContact CG1-CB 3.98Å; I307-A381 WeakPolarHBondContact CG1-O 3.41Å; A381-L385 VanDerWaalsContact O-CB 3.3Å; A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 PolarHBondContact O-N 3.32Å; A381-V797 HydrophobicContact CB-CG1 4.48Å; A381-Y809 HydrophobicContact CB-CD1 3.75Å; A381-Y809 HydrophobicContact CB-CE1 3.45Å; A381-Y809 VanDerWaalsContact CB-CE1 3.45Å; A381-Y809 HydrophobicContact CB-CG 4.47Å; A381-I847 HydrophobicContact CB-CD1 4.2Å
382	H	96.8	Very high	95	Very high	21 Å²	21	40.2 Å²	40.2	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-77.1	-35.1	177.4	168.5	-87.8	0	0	0	111.3	D380 S386 Y450 S452 H507 Y846 I847	D380-H382 VanDerWaalsContact C-N 3.33Å; D380-H382 PolarHBondContact O-N 3.28Å; D380-H382 VanDerWaalsContact OD1-CA 3.31Å; D380-H382 WeakPolarHBondContact OD1-CA 3.5Å; D380-H382 VanDerWaalsContact OD1-CB 3.26Å; D380-H382 WeakPolarHBondContact OD1-CB 3.33Å; D380-H382 PolarHBondContact OD1-N 2.93Å; H382-S386 WeakPolarHBondContact O-CB 3.48Å; H382-S386 PolarHBondContact O-N 2.66Å; H382-S386 PolarHBondContact O-OG 2.73Å; H382-Y450 AromaticContact CE1-CE2 3.75Å; H382-Y450 AromaticContact CE1-CZ 3.66Å; H382-Y450 AromaticContact NE2-CD2 3.57Å; H382-Y450 AromaticContact NE2-CE1 3.81Å; H382-Y450 AromaticContact NE2-CE2 3.19Å; H382-Y450 WeakPolarHBondContact NE2-CE2 3.47Å; H382-Y450 AromaticContact NE2-CZ 3.31Å; H382-Y450 VanDerWaalsContact NE2-CZ 3.31Å; H382-S452 PolarHBondContact NE2-OG 3.4Å; H382-H507 VanDerWaalsContact CD2-CB 3.49Å; H382-H507 WeakPolarHBondContact CD2-CB 3.27Å; H382-H507 AromaticContact CD2-CE1 3.95Å; H382-H507 AromaticContact CD2-CG 3.37Å; H382-H507 AromaticContact CD2-ND1 3.2Å; H382-H507 PolarHBondContact CD2-ND1 2.98Å; H382-H507 AromaticContact CE1-CE1 3.91Å; H382-H507 AromaticContact CE1-ND1 3.48Å; H382-H507 PolarHBondContact CE1-ND1 2.89Å; H382-H507 AromaticContact CG-CE1 3.78Å; H382-H507 AromaticContact CG-CG 3.8Å; H382-H507 AromaticContact CG-ND1 3.49Å; H382-H507 AromaticContact ND1-CE1 3.75Å; H382-H507 AromaticContact ND1-ND1 3.66Å; H382-H507 AromaticContact NE2-CE1 3.99Å; H382-H507 AromaticContact NE2-CG 3.76Å; H382-H507 AromaticContact NE2-ND1 3.15Å; H382-H507 PolarHBondContact NE2-ND1 3.33Å; H382-H507 VanDerWaalsContact NE2-ND1 3.15Å; H382-Y846 HydrophobicContact CB-CE1 4.14Å; H382-I847 HydrophobicContact CB-CD1 3.83Å; H382-I847 HydrophobicContact CB-CG1 4.32Å
383	E	96.3	Very high	95.2	Very high	76 Å²	76	38 Å²	38	36%	0.355	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-45.9	169	-167.9	177.8	164.7	0	0	111.3	F373 D380 L385 S386 Q387	F373-E383 HydrophobicContact CE2-CG 4.47Å; F373-E383 HydrophobicContact CZ-CB 4.23Å; F373-E383 HydrophobicContact CZ-CG 3.99Å; D380-E383 HydrophobicContact CB-CB 4.16Å; D380-E383 PolarHBondContact O-N 3.34Å; D380-E383 PolarHBondContact OD1-N 3.17Å; E383-L385 PolarHBondContact O-N 3.38Å; E383-S386 WeakPolarHBondContact O-CB 3.5Å; E383-S386 PolarHBondContact O-N 2.74Å; E383-S386 VanDerWaalsContact O-N 3.16Å; E383-Q387 PolarHBondContact O-N 2.87Å
384	F	97.7	Very high	95.3	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-45.6	176.6	-179.1	-98.7	0	0	0	112.5	Y303 M304 I307 L308 I366 F373 D380 S386 Q387 C388	Y303-F384 HydrophobicContact CD2-CB 3.73Å; Y303-F384 HydrophobicContact CD2-CD2 4.21Å; Y303-F384 AromaticContact CD2-CG 3.91Å; Y303-F384 HydrophobicContact CD2-CG 3.91Å; Y303-F384 HydrophobicContact CE2-CB 3.98Å; Y303-F384 AromaticContact CE2-CD2 3.67Å; Y303-F384 HydrophobicContact CE2-CD2 3.67Å; Y303-F384 HydrophobicContact CE2-CE2 4.35Å; Y303-F384 AromaticContact CE2-CG 3.85Å; Y303-F384 HydrophobicContact CE2-CG 3.85Å; M304-F384 HydrophobicContact CB-CD1 4.26Å; M304-F384 HydrophobicContact CB-CE1 3.84Å; M304-F384 HydrophobicContact CB-CE2 4.1Å; M304-F384 HydrophobicContact CB-CZ 3.75Å; M304-F384 HydrophobicContact CG-CE1 3.69Å; M304-F384 HydrophobicContact CG-CE2 4.08Å; M304-F384 HydrophobicContact CG-CZ 3.38Å; M304-F384 HydrophobicContact SD-CE2 4.09Å; M304-F384 HydrophobicContact SD-CZ 3.71Å; I307-F384 HydrophobicContact CB-CD1 4Å; I307-F384 HydrophobicContact CB-CE1 4.32Å; I307-F384 HydrophobicContact CG1-CD1 4.22Å; I307-F384 HydrophobicContact CG2-CD1 3.91Å; I307-F384 HydrophobicContact CG2-CE1 4.08Å; L308-F384 HydrophobicContact CG-CE1 4.45Å; I366-F384 HydrophobicContact CB-CE2 4.4Å; I366-F384 HydrophobicContact CD1-CD2 4.3Å; I366-F384 HydrophobicContact CD1-CE1 4.45Å; I366-F384 HydrophobicContact CD1-CE2 3.37Å; I366-F384 HydrophobicContact CD1-CZ 3.45Å; I366-F384 VanDerWaalsContact CD1-CZ 3.45Å; I366-F384 HydrophobicContact CG1-CE2 4.45Å; I366-F384 HydrophobicContact CG2-CD2 4.29Å; I366-F384 HydrophobicContact CG2-CE2 4.09Å; F373-F384 HydrophobicContact CD1-CD2 4.03Å; F373-F384 HydrophobicContact CE1-CB 3.75Å; F373-F384 AromaticContact CE1-CD2 3.97Å; F373-F384 HydrophobicContact CE1-CD2 3.97Å; F373-F384 HydrophobicContact CE1-CG 4.36Å; F373-F384 HydrophobicContact CG-CD2 4.4Å; F373-F384 HydrophobicContact CZ-CB 3.93Å; F373-F384 HydrophobicContact CZ-CD2 4.33Å; D380-F384 PolarHBondContact O-N 3.41Å; F384-S386 VanDerWaalsContact C-N 3.28Å; F384-S386 PolarHBondContact O-N 2.9Å; F384-Q387 PolarHBondContact O-N 3.38Å; F384-C388 HydrophobicContact CE1-CB 4.44Å; F384-C388 VanDerWaalsContact O-CB 3.27Å; F384-C388 WeakPolarHBondContact O-CB 3.15Å; F384-C388 PolarHBondContact O-N 2.99Å
385	L	98.3	Very high	95.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-55.8	-44.2	173.2	178.6	64.4	0	0	0	111.5	I307 V311 A381 E383 C388 L389 I505 I847 F849	I307-L385 HydrophobicContact CD1-CB 3.83Å; I307-L385 HydrophobicContact CD1-CD1 4.36Å; I307-L385 HydrophobicContact CD1-CD2 4.24Å; I307-L385 HydrophobicContact CD1-CG 4.37Å; I307-L385 HydrophobicContact CG1-CB 4.32Å; I307-L385 HydrophobicContact CG2-CB 4.21Å; I307-L385 HydrophobicContact CG2-CD1 3.84Å; V311-L385 HydrophobicContact CG2-CD1 4.02Å; A381-L385 VanDerWaalsContact O-CB 3.3Å; A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 PolarHBondContact O-N 3.32Å; E383-L385 PolarHBondContact O-N 3.38Å; L385-C388 PolarHBondContact O-N 3.07Å; L385-L389 HydrophobicContact CD1-CD1 3.81Å; L385-L389 HydrophobicContact CD1-CD2 4.44Å; L385-L389 HydrophobicContact CD1-CG 3.93Å; L385-L389 HydrophobicContact CG-CD1 4.06Å; L385-L389 HydrophobicContact CG-CG 4.42Å; L385-L389 WeakPolarHBondContact O-CB 3.4Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.33Å; L385-L389 PolarHBondContact O-N 2.9Å; L385-I505 HydrophobicContact CD2-CD1 4.44Å; L385-I505 HydrophobicContact CD2-CG2 4.11Å; L385-I847 HydrophobicContact CD2-CD1 4.38Å; L385-I847 HydrophobicContact CD2-CG2 4.17Å; L385-F849 HydrophobicContact CD2-CZ 4.45Å
386	S	97.7	Very high	95.7	Very high	24 Å²	24	34.9 Å²	34.9	17%	0.168	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-48.9	179.8	-57.6	0	0	0	0	111.5	H382 E383 F384 E390 Y450	H382-S386 WeakPolarHBondContact O-CB 3.48Å; H382-S386 PolarHBondContact O-N 2.66Å; H382-S386 PolarHBondContact O-OG 2.73Å; E383-S386 WeakPolarHBondContact O-CB 3.5Å; E383-S386 PolarHBondContact O-N 2.74Å; E383-S386 VanDerWaalsContact O-N 3.16Å; F384-S386 VanDerWaalsContact C-N 3.28Å; F384-S386 PolarHBondContact O-N 2.9Å; S386-E390 WeakPolarHBondContact O-CB 3.34Å; S386-E390 PolarHBondContact O-N 3.21Å; S386-E390 VanDerWaalsContact O-N 3.09Å; S386-Y450 WeakPolarHBondContact OG-CE1 3.47Å; S386-Y450 PolarHBondContact OG-OH 3.35Å; S386-Y450 VanDerWaalsContact OG-OH 3.05Å
387	Q	97.8	Very high	95.8	Very high	55 Å²	55	36.2 Å²	36.2	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-67.5	-43	178.3	-62.7	-63.3	-5	0	0	112.2	I366 A370 F373 E383 F384 L389 E390 Q391	I366-Q387 HydrophobicContact CG2-CB 4.2Å; A370-Q387 HydrophobicContact CB-CG 4.06Å; F373-Q387 HydrophobicContact CE2-CG 4Å; E383-Q387 PolarHBondContact O-N 2.87Å; F384-Q387 PolarHBondContact O-N 3.38Å; Q387-L389 PolarHBondContact O-N 3.29Å; Q387-E390 PolarHBondContact O-N 3.36Å; Q387-Q391 WeakPolarHBondContact O-CG 3.48Å; Q387-Q391 PolarHBondContact O-N 3.04Å
388	C	97.9	Very high	95.9	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-44.4	179.2	-175.3	0	0	0	0	112	I366 F384 L385 L392	I366-C388 HydrophobicContact CD1-CB 4.04Å; F384-C388 HydrophobicContact CE1-CB 4.44Å; F384-C388 VanDerWaalsContact O-CB 3.27Å; F384-C388 WeakPolarHBondContact O-CB 3.15Å; F384-C388 PolarHBondContact O-N 2.99Å; L385-C388 PolarHBondContact O-N 3.07Å; C388-L392 WeakPolarHBondContact O-CB 3.39Å; C388-L392 WeakPolarHBondContact O-CG 3.45Å; C388-L392 PolarHBondContact O-N 3.07Å
389	L	98.2	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70.7	-36.7	178.3	-66.6	-176.5	0	0	0	112.4	L385 Q387 K393 V421 F425 N449 I505	L385-L389 HydrophobicContact CD1-CD1 3.81Å; L385-L389 HydrophobicContact CD1-CD2 4.44Å; L385-L389 HydrophobicContact CD1-CG 3.93Å; L385-L389 HydrophobicContact CG-CD1 4.06Å; L385-L389 HydrophobicContact CG-CG 4.42Å; L385-L389 WeakPolarHBondContact O-CB 3.4Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.33Å; L385-L389 PolarHBondContact O-N 2.9Å; Q387-L389 PolarHBondContact O-N 3.29Å; L389-K393 PolarHBondContact O-N 3.01Å; L389-K393 VanDerWaalsContact O-N 3.11Å; L389-V421 HydrophobicContact CB-CG1 3.95Å; L389-V421 HydrophobicContact CB-CG2 4.41Å; L389-V421 HydrophobicContact CD2-CG1 4.12Å; L389-V421 HydrophobicContact CD2-CG2 3.89Å; L389-V421 HydrophobicContact CG-CG1 4.41Å; L389-F425 HydrophobicContact CD1-CD2 4.33Å; L389-F425 HydrophobicContact CD2-CD2 3.86Å; L389-F425 HydrophobicContact CD2-CE2 3.98Å; L389-N449 HydrophobicContact CD1-CB 3.84Å; L389-I505 HydrophobicContact CD1-CD1 4.24Å
390	E	97.3	Very high	95.6	Very high	85 Å²	85	31.8 Å²	31.8	40%	0.397	15%	0.154	S	C	.	.	H	α-helix	trans	-70.7	-43.5	178.7	-169.6	65.1	-176.5	0	0	112.2	S386 Q387 L392 K393 L394	S386-E390 WeakPolarHBondContact O-CB 3.34Å; S386-E390 PolarHBondContact O-N 3.21Å; S386-E390 VanDerWaalsContact O-N 3.09Å; Q387-E390 PolarHBondContact O-N 3.36Å; E390-L392 VanDerWaalsContact C-N 3.31Å; E390-L392 PolarHBondContact O-N 3.43Å; E390-K393 WeakPolarHBondContact O-CB 3.44Å; E390-K393 PolarHBondContact O-N 3.42Å; E390-L394 HydrophobicContact CG-CD1 4.5Å; E390-L394 WeakPolarHBondContact O-CG 3.46Å; E390-L394 PolarHBondContact O-N 3.03Å
391	Q	97.4	Very high	95.3	Very high	33 Å²	33	33.5 Å²	33.5	15%	0.154	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-36.8	175.7	-67.1	-48.7	-48.3	0	0	112.3	L336 V369 Q387 K393 L394 N395	L336-Q391 HydrophobicContact CB-CB 4.41Å; L336-Q391 HydrophobicContact CD2-CB 3.63Å; V369-Q391 HydrophobicContact CG2-CG 3.77Å; Q387-Q391 WeakPolarHBondContact O-CG 3.48Å; Q387-Q391 PolarHBondContact O-N 3.04Å; Q391-K393 VanDerWaalsContact C-N 3.35Å; Q391-K393 PolarHBondContact O-N 2.84Å; Q391-L394 PolarHBondContact O-N 3.23Å; Q391-N395 VanDerWaalsContact O-CG 3.24Å; Q391-N395 PolarHBondContact O-N 2.83Å; Q391-N395 PolarHBondContact O-OD1 2.86Å
392	L	96.8	Very high	94.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-38.9	170.4	-83	173.6	0	0	0	112.7	F317 I337 L340 C388 E390 M396 V421	F317-L392 HydrophobicContact CE2-CD1 4.29Å; F317-L392 HydrophobicContact CZ-CD1 3.83Å; I337-L392 HydrophobicContact CB-CD2 4.02Å; I337-L392 HydrophobicContact CG1-CD2 4.1Å; L340-L392 HydrophobicContact CD1-CD1 3.81Å; L340-L392 HydrophobicContact CD1-CD2 3.97Å; L340-L392 HydrophobicContact CD1-CG 3.93Å; C388-L392 WeakPolarHBondContact O-CB 3.39Å; C388-L392 WeakPolarHBondContact O-CG 3.45Å; C388-L392 PolarHBondContact O-N 3.07Å; E390-L392 VanDerWaalsContact C-N 3.31Å; E390-L392 PolarHBondContact O-N 3.43Å; L392-M396 WeakPolarHBondContact O-CB 3.22Å; L392-M396 WeakPolarHBondContact O-CG 3.27Å; L392-M396 PolarHBondContact O-N 3.35Å; L392-M396 VanDerWaalsContact O-N 3.09Å; L392-V421 HydrophobicContact CB-CG2 3.69Å; L392-V421 HydrophobicContact CD1-CG2 4.11Å
393	K	96.4	Very high	93.6	Very high	28 Å²	28	37.1 Å²	37.1	12%	0.122	19%	0.192	C	C	.	.	H	α-helix	trans	-61.1	-49.6	172.1	-73.3	-169.8	-178.7	-172.5	0	111	L389 E390 Q391 N395 M396 E397 V421 E426 N449	L389-K393 PolarHBondContact O-N 3.01Å; L389-K393 VanDerWaalsContact O-N 3.11Å; E390-K393 WeakPolarHBondContact O-CB 3.44Å; E390-K393 PolarHBondContact O-N 3.42Å; Q391-K393 VanDerWaalsContact C-N 3.35Å; Q391-K393 PolarHBondContact O-N 2.84Å; K393-N395 PolarHBondContact O-N 2.84Å; K393-M396 CarbonylContact O-C 3.46Å; K393-M396 PolarHBondContact O-N 2.89Å; K393-M396 VanDerWaalsContact O-N 3.11Å; K393-E397 WeakPolarHBondContact O-CG 3.35Å; K393-E397 PolarHBondContact O-N 3.46Å; K393-V421 HydrophobicContact CD-CG1 4.4Å; K393-V421 VanDerWaalsContact CE-CG1 3.49Å; K393-V421 HydrophobicContact CG-CB 4Å; K393-V421 HydrophobicContact CG-CG1 4.08Å; K393-E426 IonicContact NZ-OE2 2.67Å; K393-E426 PolarHBondContact NZ-OE2 3.23Å; K393-N449 WeakPolarHBondContact CE-OD1 3.48Å; K393-N449 PolarHBondContact NZ-OD1 3.16Å
394	L	95.9	Very high	92.1	Very high	76 Å²	76	37 Å²	37	40%	0.398	20%	0.198	S	C	.	.	H	α-helix	trans	-62	-40.2	-178.8	-65.4	171.4	0	0	0	112.7	E390 Q391 E397 K398	E390-L394 HydrophobicContact CG-CD1 4.5Å; E390-L394 WeakPolarHBondContact O-CG 3.46Å; E390-L394 PolarHBondContact O-N 3.03Å; Q391-L394 PolarHBondContact O-N 3.23Å; L394-E397 PolarHBondContact O-N 2.84Å; L394-K398 WeakPolarHBondContact O-CB 3.49Å; L394-K398 PolarHBondContact O-N 2.84Å
395	N	94.7	Very high	90.2	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.059	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-40.6	173.2	-59.5	146.6	0	0	0	111.8	D335 L336 I337 Q391 K393 K398 L399	D335-N395 PolarHBondContact OD1-ND2 3.33Å; D335-N395 VanDerWaalsContact OD1-ND2 3.14Å; L336-N395 WeakPolarHBondContact CB-OD1 3.5Å; L336-N395 PolarHBondContact N-OD1 2.84Å; I337-N395 HydrophobicContact CB-CB 4.03Å; I337-N395 HydrophobicContact CG2-CB 3.93Å; I337-N395 PolarHBondContact N-OD1 3.38Å; I337-N395 VanDerWaalsContact N-OD1 3.09Å; Q391-N395 VanDerWaalsContact O-CG 3.24Å; Q391-N395 PolarHBondContact O-N 2.83Å; Q391-N395 PolarHBondContact O-OD1 2.86Å; K393-N395 PolarHBondContact O-N 2.84Å; N395-K398 WeakPolarHBondContact O-CB 3.18Å; N395-K398 PolarHBondContact O-N 2.71Å; N395-L399 WeakPolarHBondContact O-CB 3.18Å; N395-L399 WeakPolarHBondContact O-CG 3.49Å; N395-L399 PolarHBondContact O-N 2.94Å
396	M	93.3	Very high	88.2	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-68	-33	177.1	-70.3	-60.1	-42.2	0	0	112.8	I337 L392 K393 L399 N400 F417 I418 C419	I337-M396 HydrophobicContact CD1-CG 4.41Å; I337-M396 HydrophobicContact CD1-SD 3.37Å; I337-M396 WeakPolarHBondContact CD1-SD 3.37Å; L392-M396 WeakPolarHBondContact O-CB 3.22Å; L392-M396 WeakPolarHBondContact O-CG 3.27Å; L392-M396 PolarHBondContact O-N 3.35Å; L392-M396 VanDerWaalsContact O-N 3.09Å; K393-M396 CarbonylContact O-C 3.46Å; K393-M396 PolarHBondContact O-N 2.89Å; K393-M396 VanDerWaalsContact O-N 3.11Å; M396-L399 HydrophobicContact SD-CD1 4.43Å; M396-N400 WeakPolarHBondContact O-CB 3.48Å; M396-N400 PolarHBondContact O-N 3.41Å; M396-N400 VanDerWaalsContact O-N 3.09Å; M396-N400 PolarHBondContact O-ND2 3.37Å; M396-F417 HydrophobicContact CE-CB 3.41Å; M396-F417 VanDerWaalsContact CE-CB 3.41Å; M396-F417 HydrophobicContact CE-CG 4.39Å; M396-I418 VanDerWaalsContact CE-O 3.31Å; M396-I418 WeakPolarHBondContact CE-O 3.49Å; M396-C419 HydrophobicContact CB-CB 3.94Å; M396-C419 HydrophobicContact CG-CB 4.13Å
397	E	93.2	Very high	86	Confident	125 Å²	125	53.4 Å²	53.4	58%	0.584	28%	0.276	S	S	*	.	H	α-helix	trans	-69.6	-44.4	172.6	-71.9	-170.3	164.1	0	0	111.5	K393 L394 L399 N400 A401	K393-E397 WeakPolarHBondContact O-CG 3.35Å; K393-E397 PolarHBondContact O-N 3.46Å; L394-E397 PolarHBondContact O-N 2.84Å; E397-L399 PolarHBondContact O-N 2.75Å; E397-N400 PolarHBondContact O-N 3.01Å; E397-A401 WeakPolarHBondContact O-CB 3.28Å; E397-A401 PolarHBondContact O-N 3.3Å
398	K	92.1	Very high	83.5	Confident	89 Å²	89	60.2 Å²	60.2	39%	0.387	31%	0.307	S	S	.	.	H	α-helix	trans	-54.7	-49.8	172.7	-175.3	-167.8	-174.9	-170.9	0	111.6	D335 L394 N395 A401 M402	D335-K398 WeakPolarHBondContact OD1-CD 3.2Å; D335-K398 IonicContact OD1-NZ 2.66Å; D335-K398 PolarHBondContact OD1-NZ 3.36Å; D335-K398 IonicContact OD2-NZ 2.8Å; D335-K398 PolarHBondContact OD2-NZ 2.84Å; L394-K398 WeakPolarHBondContact O-CB 3.49Å; L394-K398 PolarHBondContact O-N 2.84Å; N395-K398 WeakPolarHBondContact O-CB 3.18Å; N395-K398 PolarHBondContact O-N 2.71Å; K398-A401 PolarHBondContact O-N 2.79Å; K398-M402 HydrophobicContact CG-CE 4.4Å; K398-M402 WeakPolarHBondContact O-CG 3.49Å; K398-M402 PolarHBondContact O-N 2.72Å
399	L	89.7	Confident	81.1	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-45.4	178.1	-78.2	163.6	0	0	0	112.5	I326 V331 I337 N395 M396 E397 A401 M402 C403 F417	I326-L399 HydrophobicContact CG2-CD1 4.14Å; I326-L399 HydrophobicContact CG2-CD2 4.42Å; V331-L399 HydrophobicContact CG2-CD1 4.21Å; V331-L399 HydrophobicContact CG2-CD2 3.69Å; I337-L399 HydrophobicContact CD1-CD1 3.76Å; I337-L399 HydrophobicContact CG2-CD1 4.35Å; N395-L399 WeakPolarHBondContact O-CB 3.18Å; N395-L399 WeakPolarHBondContact O-CG 3.49Å; N395-L399 PolarHBondContact O-N 2.94Å; M396-L399 HydrophobicContact SD-CD1 4.43Å; E397-L399 PolarHBondContact O-N 2.75Å; L399-A401 VanDerWaalsContact C-N 3.34Å; L399-A401 PolarHBondContact O-N 2.83Å; L399-M402 HydrophobicContact CD2-CE 3.67Å; L399-M402 HydrophobicContact CG-CE 4.29Å; L399-M402 PolarHBondContact O-N 3.35Å; L399-C403 PolarHBondContact O-N 2.99Å; L399-C403 VanDerWaalsContact O-N 3.16Å; L399-F417 HydrophobicContact CB-CD2 4.4Å
400	N	89.5	Confident	78.4	Confident	9 Å²	9	75.4 Å²	75.4	5%	0.048	38%	0.382	C	S	.	.	H	α-helix	trans	-65.5	-35.5	176.7	-82.1	-59.8	0	0	0	112.9	M396 E397 C404 R416 F417	M396-N400 WeakPolarHBondContact O-CB 3.48Å; M396-N400 PolarHBondContact O-N 3.41Å; M396-N400 VanDerWaalsContact O-N 3.09Å; M396-N400 PolarHBondContact O-ND2 3.37Å; E397-N400 PolarHBondContact O-N 3.01Å; N400-C404 PolarHBondContact O-N 2.89Å; N400-C404 PolarHBondContact O-SG 2.9Å; N400-C404 VanDerWaalsContact O-SG 3.38Å; N400-R416 HydrophobicContact CB-CG 4.49Å; N400-R416 WeakPolarHBondContact OD1-CA 3.15Å; N400-R416 WeakPolarHBondContact OD1-CG 3.43Å; N400-F417 PolarHBondContact ND2-O 3.15Å; N400-F417 PolarHBondContact OD1-N 3.4Å; N400-F417 PolarHBondContact OD1-O 3.48Å
401	A	89.2	Confident	76	Confident	59 Å²	59	77 Å²	77	49%	0.488	41%	0.41	S	S	.	.	H	α-helix	trans	-64.7	-45.7	175.3	0	0	0	0	0	111.6	E397 K398 L399 C403 C404 S405	E397-A401 WeakPolarHBondContact O-CB 3.28Å; E397-A401 PolarHBondContact O-N 3.3Å; K398-A401 PolarHBondContact O-N 2.79Å; L399-A401 VanDerWaalsContact C-N 3.34Å; L399-A401 PolarHBondContact O-N 2.83Å; A401-C403 PolarHBondContact O-N 2.94Å; A401-C404 WeakPolarHBondContact O-CB 3.44Å; A401-C404 PolarHBondContact O-N 2.81Å; A401-C404 VanDerWaalsContact O-N 3.08Å; A401-S405 PolarHBondContact O-N 3.02Å; A401-S405 VanDerWaalsContact O-N 3.13Å; A401-S405 PolarHBondContact O-OG 2.95Å
402	M	83.8	Confident	73.4	Confident	61 Å²	61	78.1 Å²	78.1	30%	0.3	43%	0.425	S	S	.	.	H	α-helix	trans	-58.8	-46.7	177.5	-68	-173.1	-60.2	0	0	111.8	K398 L399 C404 S405 E406	K398-M402 HydrophobicContact CG-CE 4.4Å; K398-M402 WeakPolarHBondContact O-CG 3.49Å; K398-M402 PolarHBondContact O-N 2.72Å; L399-M402 HydrophobicContact CD2-CE 3.67Å; L399-M402 HydrophobicContact CG-CE 4.29Å; L399-M402 PolarHBondContact O-N 3.35Å; M402-C404 PolarHBondContact O-N 2.94Å; M402-S405 WeakPolarHBondContact CA-OG 3.31Å; M402-S405 PolarHBondContact O-N 2.98Å; M402-S405 VanDerWaalsContact O-N 3.12Å; M402-S405 PolarHBondContact O-OG 3.07Å; M402-E406 PolarHBondContact O-N 3.17Å
403	C	73.3	Confident	71.2	Confident	36 Å²	36	83.8 Å²	83.8	24%	0.243	46%	0.464	C	S	.	.	H	α-helix	trans	-69.1	-14.8	177.2	-69.2	0	0	0	0	114.7	L399 A401	L399-C403 PolarHBondContact O-N 2.99Å; L399-C403 VanDerWaalsContact O-N 3.16Å; A401-C403 PolarHBondContact O-N 2.94Å
404	C	63.7	Low	69.2	Low	72 Å²	72	86.2 Å²	86.2	49%	0.486	49%	0.485	S	S	.	.	H	α-helix	trans	-84.6	-28.2	169.5	-74.9	0	0	0	0	113.1	N400 A401 M402	N400-C404 PolarHBondContact O-N 2.89Å; N400-C404 PolarHBondContact O-SG 2.9Å; N400-C404 VanDerWaalsContact O-SG 3.38Å; A401-C404 WeakPolarHBondContact O-CB 3.44Å; A401-C404 PolarHBondContact O-N 2.81Å; A401-C404 VanDerWaalsContact O-N 3.08Å; M402-C404 PolarHBondContact O-N 2.94Å
405	S	59	Low	67.8	Low	90 Å²	90	87.6 Å²	87.6	63%	0.629	49%	0.485	S	S	*	.	H	α-helix	trans	-79.8	-19.4	-178.7	43.8	0	0	0	0	115.3	A401 M402 R407	A401-S405 PolarHBondContact O-N 3.02Å; A401-S405 VanDerWaalsContact O-N 3.13Å; A401-S405 PolarHBondContact O-OG 2.95Å; M402-S405 WeakPolarHBondContact CA-OG 3.31Å; M402-S405 PolarHBondContact O-N 2.98Å; M402-S405 VanDerWaalsContact O-N 3.12Å; M402-S405 PolarHBondContact O-OG 3.07Å; S405-R407 VanDerWaalsContact C-N 3.27Å; S405-R407 PolarHBondContact O-N 3.19Å
406	E	55.3	Low	67.1	Low	116 Å²	116	95.6 Å²	95.6	54%	0.542	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.5	-175.3	-67.7	-174.4	152.8	0	0	114.7	K330 M402	K330-E406 IonicContact NZ-OE1 3.73Å; K330-E406 PolarHBondContact NZ-OE1 3.22Å; K330-E406 IonicContact NZ-OE2 2.64Å; K330-E406 PolarHBondContact NZ-OE2 2.89Å; M402-E406 PolarHBondContact O-N 3.17Å
407	R	52.3	Low	66.9	Low	165 Å²	165	96.1 Å²	96.1	62%	0.623	52%	0.517	S	S	*	.			trans	-146.4	92.4	-173.5	-58.4	-175.1	-169.4	-163	-1.5	114.4	S405	S405-R407 VanDerWaalsContact C-N 3.27Å; S405-R407 PolarHBondContact O-N 3.19Å
408	E	44.8	Very low	66.8	Low	197 Å²	197	93 Å²	93	92%	0.921	50%	0.503	S	S	*	.	S	Bend	trans	-89.1	-6	161.9	-70	-160.9	137.2	0	0	113.4
409	N	47.1	Very low	66.9	Low	141 Å²	141	89.9 Å²	89.9	75%	0.754	49%	0.492	S	S	*	.	S	Bend	trans	-121.3	147.9	175.8	-78.3	-60.2	0	0	0	112.3
410	E	41.8	Very low	67.1	Low	185 Å²	185	89.7 Å²	89.7	86%	0.864	49%	0.491	S	S	*	.			trans	68.9	130.5	-179.5	-54.9	-151	147.9	0	0	118.4	A412	E410-A412 VanDerWaalsContact C-N 3.26Å; E410-A412 PolarHBondContact O-N 2.81Å
411	A	46.6	Very low	67.5	Low	117 Å²	117	89.2 Å²	89.2	97%	0.967	49%	0.489	S	S	*	.			trans	-85.5	46.3	-170.4	0	0	0	0	0	113.8
412	A	44.2	Very low	67.8	Low	57 Å²	57	87.5 Å²	87.5	47%	0.471	48%	0.475	S	S	.	.			trans	-92.3	129.4	174.2	0	0	0	0	0	111	E410 S414	E410-A412 VanDerWaalsContact C-N 3.26Å; E410-A412 PolarHBondContact O-N 2.81Å; A412-S414 PolarHBondContact O-N 2.81Å; A412-S414 VanDerWaalsContact O-N 3.16Å
413	S	49.1	Very low	68.3	Low	120 Å²	120	84.8 Å²	84.8	84%	0.839	46%	0.462	S	S	*	.			trans	-47.6	116.8	-172.8	-168.6	0	0	0	0	113.4	R415	S413-R415 PolarHBondContact O-N 2.74Å; S413-R415 VanDerWaalsContact O-N 3.13Å
414	S	54.8	Low	69.5	Low	80 Å²	80	83.1 Å²	83.1	56%	0.559	45%	0.451	S	S	*	.			trans	-61.3	114.7	-179.7	-46.2	0	0	0	0	110.6	A412 R416	A412-S414 PolarHBondContact O-N 2.81Å; A412-S414 VanDerWaalsContact O-N 3.16Å; S414-R416 VanDerWaalsContact C-N 3.3Å; S414-R416 PolarHBondContact O-N 2.71Å
415	R	66.3	Low	71.1	Confident	105 Å²	105	79.7 Å²	79.7	40%	0.396	43%	0.427	S	S	.	.			trans	-66.8	84.5	178.6	-176.9	177.6	178.8	158.5	-4.5	110.2	Q324 G325 S413	Q324-R415 PolarHBondContact O-NH2 3.19Å; G325-R415 PolarHBondContact O-NH2 3.47Å; S413-R415 PolarHBondContact O-N 2.74Å; S413-R415 VanDerWaalsContact O-N 3.13Å
416	R	80.9	Confident	72.9	Confident	179 Å²	179	77 Å²	77	68%	0.675	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-79	123.6	173.4	-165	-175.4	-178.9	102.7	1.5	109.5	N400 S414	N400-R416 HydrophobicContact CB-CG 4.49Å; N400-R416 WeakPolarHBondContact OD1-CA 3.15Å; N400-R416 WeakPolarHBondContact OD1-CG 3.43Å; S414-R416 VanDerWaalsContact C-N 3.3Å; S414-R416 PolarHBondContact O-N 2.71Å
417	F	88.8	Confident	74.9	Confident	11 Å²	11	71.5 Å²	71.5	5%	0.048	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-75.3	135.8	173.4	-52.8	-72.1	0	0	0	110.8	Q324 G325 I326 M396 L399 N400	Q324-F417 HydrophobicContact CB-CD1 4.19Å; G325-F417 WeakPolarHBondContact O-CE1 3.49Å; I326-F417 HydrophobicContact CG1-CD1 4.04Å; I326-F417 HydrophobicContact CG1-CE1 4.14Å; I326-F417 HydrophobicContact CG1-CG 4.47Å; M396-F417 HydrophobicContact CE-CB 3.41Å; M396-F417 VanDerWaalsContact CE-CB 3.41Å; M396-F417 HydrophobicContact CE-CG 4.39Å; L399-F417 HydrophobicContact CB-CD2 4.4Å; N400-F417 PolarHBondContact ND2-O 3.15Å; N400-F417 PolarHBondContact OD1-N 3.4Å; N400-F417 PolarHBondContact OD1-O 3.48Å
418	I	90.1	Very high	77	Confident	60 Å²	60	64.7 Å²	64.7	31%	0.308	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-65.4	129.5	170.6	-57.3	173.5	0	0	0	107.8	Q324 M396 P420 A423	Q324-I418 PolarHBondContact NE2-O 2.84Å; M396-I418 VanDerWaalsContact CE-O 3.31Å; M396-I418 WeakPolarHBondContact CE-O 3.49Å; I418-P420 WeakPolarHBondContact O-CD 3.43Å; I418-A423 HydrophobicContact CG2-CB 3.49Å; I418-A423 VanDerWaalsContact CG2-CB 3.49Å
419	C	94.3	Very high	79.4	Confident	23 Å²	23	55.7 Å²	55.7	16%	0.155	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-76	121.4	170.4	174.7	0	0	0	0	109.1	M396 V421 A422 A423	M396-C419 HydrophobicContact CB-CB 3.94Å; M396-C419 HydrophobicContact CG-CB 4.13Å; C419-V421 PolarHBondContact O-N 3.2Å; C419-A422 HydrophobicContact CB-CB 3.85Å; C419-A422 PolarHBondContact O-N 3.15Å; C419-A422 VanDerWaalsContact O-N 3.16Å; C419-A423 WeakPolarHBondContact O-CB 3.4Å; C419-A423 PolarHBondContact O-N 2.76Å
420	P	94.8	Very high	81.7	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-35.1	-177.3	-25.3	35.8	0	0	0	112.7	F317 D320 L321 I418 N424	F317-P420 HydrophobicContact CD2-CB 3.71Å; F317-P420 HydrophobicContact CE2-CB 3.62Å; F317-P420 HydrophobicContact CZ-CB 4.38Å; D320-P420 HydrophobicContact CB-CB 3.87Å; D320-P420 HydrophobicContact CB-CG 4.05Å; L321-P420 HydrophobicContact CB-CG 4.14Å; L321-P420 HydrophobicContact CD1-CG 4.27Å; I418-P420 WeakPolarHBondContact O-CD 3.43Å; P420-N424 WeakPolarHBondContact O-CB 3.43Å; P420-N424 PolarHBondContact O-N 2.92Å; P420-N424 VanDerWaalsContact O-N 3.16Å; P420-N424 PolarHBondContact O-ND2 3.23Å
421	V	97.1	Very high	84.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-49.1	176.2	-176.1	0	0	0	0	110.9	F317 L389 L392 K393 C419 A423 N424 F425 E426	F317-V421 HydrophobicContact CE2-CG2 4.32Å; L389-V421 HydrophobicContact CB-CG1 3.95Å; L389-V421 HydrophobicContact CB-CG2 4.41Å; L389-V421 HydrophobicContact CD2-CG1 4.12Å; L389-V421 HydrophobicContact CD2-CG2 3.89Å; L389-V421 HydrophobicContact CG-CG1 4.41Å; L392-V421 HydrophobicContact CB-CG2 3.69Å; L392-V421 HydrophobicContact CD1-CG2 4.11Å; K393-V421 HydrophobicContact CD-CG1 4.4Å; K393-V421 VanDerWaalsContact CE-CG1 3.49Å; K393-V421 HydrophobicContact CG-CB 4Å; K393-V421 HydrophobicContact CG-CG1 4.08Å; C419-V421 PolarHBondContact O-N 3.2Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.7Å; V421-N424 PolarHBondContact O-N 3.36Å; V421-F425 HydrophobicContact CG1-CD2 4.39Å; V421-F425 PolarHBondContact O-N 3.39Å; V421-E426 PolarHBondContact O-N 3.08Å
422	A	95.6	Very high	86.5	Confident	22 Å²	22	38.3 Å²	38.3	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-67.2	-31.5	-179.2	0	0	0	0	0	113.2	C419 E426 F546	C419-A422 HydrophobicContact CB-CB 3.85Å; C419-A422 PolarHBondContact O-N 3.15Å; C419-A422 VanDerWaalsContact O-N 3.16Å; A422-E426 HydrophobicContact CB-CB 4.46Å; A422-F546 WeakPolarHBondContact O-CD2 3.37Å; A422-F546 WeakPolarHBondContact O-CE2 3.4Å
423	A	94.8	Very high	89	Confident	5 Å²	5	36.6 Å²	36.6	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-77.2	-29.7	178.2	0	0	0	0	0	113.6	D320 I418 C419 V421 R502	D320-A423 WeakPolarHBondContact OD2-CB 3.25Å; I418-A423 HydrophobicContact CG2-CB 3.49Å; I418-A423 VanDerWaalsContact CG2-CB 3.49Å; C419-A423 WeakPolarHBondContact O-CB 3.4Å; C419-A423 PolarHBondContact O-N 2.76Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.7Å; A423-R502 WeakPolarHBondContact O-CD 3.17Å; A423-R502 WeakPolarHBondContact O-CG 3.28Å; A423-R502 PolarHBondContact O-NE 3.4Å
424	N	97.3	Very high	91.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-106.7	-44.5	-172.4	-64.9	-79	0	0	0	114	T316 F317 D320 P420 V421 R502 V503	T316-N424 WeakPolarHBondContact CB-OD1 3.33Å; T316-N424 PolarHBondContact OG1-OD1 2.73Å; F317-N424 HydrophobicContact CB-CB 4.46Å; D320-N424 PolarHBondContact OD2-ND2 3.49Å; P420-N424 WeakPolarHBondContact O-CB 3.43Å; P420-N424 PolarHBondContact O-N 2.92Å; P420-N424 VanDerWaalsContact O-N 3.16Å; P420-N424 PolarHBondContact O-ND2 3.23Å; V421-N424 PolarHBondContact O-N 3.36Å; N424-R502 PolarHBondContact ND2-NH1 2.99Å; N424-R502 PolarHBondContact O-N 2.97Å; N424-R502 WeakPolarHBondContact OD1-CD 3.25Å; N424-R502 PolarHBondContact OD1-NH1 3.05Å; N424-V503 PolarHBondContact O-N 3.46Å
425	F	98.1	Very high	93.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-16.1	-167.7	-50.3	-53.6	0	0	0	114.6	V311 I314 F317 L389 V421 I427 N449 V503 I505	V311-F425 HydrophobicContact CG1-CE2 4.39Å; V311-F425 HydrophobicContact CG1-CZ 4.41Å; I314-F425 HydrophobicContact CG1-CE1 4.32Å; I314-F425 HydrophobicContact CG1-CZ 4.4Å; F317-F425 HydrophobicContact CB-CE2 4.5Å; F317-F425 HydrophobicContact CB-CZ 4.13Å; F317-F425 HydrophobicContact CD2-CD2 4.35Å; F317-F425 AromaticContact CD2-CE2 3.42Å; F317-F425 HydrophobicContact CD2-CE2 3.42Å; F317-F425 VanDerWaalsContact CD2-CE2 3.42Å; F317-F425 AromaticContact CD2-CZ 3.9Å; F317-F425 HydrophobicContact CD2-CZ 3.9Å; F317-F425 AromaticContact CE2-CE2 3.83Å; F317-F425 HydrophobicContact CE2-CE2 3.83Å; F317-F425 HydrophobicContact CG-CE2 4.07Å; F317-F425 HydrophobicContact CG-CZ 4.09Å; L389-F425 HydrophobicContact CD1-CD2 4.33Å; L389-F425 HydrophobicContact CD2-CD2 3.86Å; L389-F425 HydrophobicContact CD2-CE2 3.98Å; V421-F425 HydrophobicContact CG1-CD2 4.39Å; V421-F425 PolarHBondContact O-N 3.39Å; F425-I427 PolarHBondContact O-N 3.03Å; F425-N449 CarbonylContact O-C 3.49Å; F425-V503 HydrophobicContact CD1-CB 3.88Å; F425-V503 HydrophobicContact CD1-CG1 4.14Å; F425-V503 HydrophobicContact CE1-CB 3.86Å; F425-V503 HydrophobicContact CE1-CG1 3.95Å; F425-I505 HydrophobicContact CB-CD1 4.1Å; F425-I505 HydrophobicContact CD1-CD1 3.71Å; F425-I505 HydrophobicContact CD1-CG1 3.99Å; F425-I505 HydrophobicContact CD2-CD1 4.42Å; F425-I505 HydrophobicContact CE1-CD1 4.22Å; F425-I505 HydrophobicContact CG-CD1 3.83Å; F425-I505 HydrophobicContact CG-CG1 4.48Å
426	E	97.5	Very high	94.7	Very high	34 Å²	34	29.3 Å²	29.3	16%	0.159	15%	0.146	C	C	.	.			trans	-72.2	129.4	-174.3	-178.3	174.6	104.6	0	0	113.3	K393 V421 A422 V447 S448	K393-E426 IonicContact NZ-OE2 2.67Å; K393-E426 PolarHBondContact NZ-OE2 3.23Å; V421-E426 PolarHBondContact O-N 3.08Å; A422-E426 HydrophobicContact CB-CB 4.46Å; E426-V447 HydrophobicContact CG-CG1 3.51Å; E426-S448 CarbonylContact C-O 3.34Å; E426-S448 WeakPolarHBondContact CA-O 3.15Å
427	I	95.8	Very high	95.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.3	175.9	66.4	176.6	0	0	0	110.4	F425 L429 V447 S448 L451 W497 P501 L504	F425-I427 PolarHBondContact O-N 3.03Å; I427-L429 HydrophobicContact CD1-CD1 4.17Å; I427-L429 HydrophobicContact CD1-CG 4.16Å; I427-V447 WeakPolarHBondContact O-CA 3.29Å; I427-S448 WeakPolarHBondContact CG1-O 3.37Å; I427-S448 PolarHBondContact N-O 2.93Å; I427-S448 PolarHBondContact O-N 3.42Å; I427-L451 HydrophobicContact CD1-CD2 3.45Å; I427-L451 VanDerWaalsContact CD1-CD2 3.45Å; I427-L451 HydrophobicContact CD1-CG 3.9Å; I427-W497 HydrophobicContact CB-CZ3 4.02Å; I427-W497 HydrophobicContact CD1-CZ3 4.19Å; I427-W497 HydrophobicContact CG2-CZ3 3.96Å; I427-P501 HydrophobicContact CG2-CB 3.81Å; I427-P501 HydrophobicContact CG2-CG 3.56Å; I427-L504 HydrophobicContact CG2-CD1 4.36Å
428	E	96.6	Very high	95.6	Very high	21 Å²	21	25.5 Å²	25.5	10%	0.098	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.5	161.6	-61.3	-178.4	167.9	0	0	108	R498 R499 K543	E428-R498 HydrophobicContact CB-CB 3.86Å; E428-R498 HydrophobicContact CB-CG 4.03Å; E428-R498 WeakPolarHBondContact O-CA 3.3Å; E428-R498 WeakPolarHBondContact O-CB 3.36Å; E428-R498 PolarHBondContact O-N 3.25Å; E428-R498 IonicContact OE1-NH2 2.72Å; E428-R498 IonicContact OE2-CZ 2.84Å; E428-R498 IonicContact OE2-NE 3.59Å; E428-R498 PolarHBondContact OE2-NE 2.94Å; E428-R498 IonicContact OE2-NH2 2.67Å; E428-R498 PolarHBondContact OE2-NH2 3.48Å; E428-R499 HydrophobicContact CB-CB 3.8Å; E428-R499 HydrophobicContact CG-CB 3.91Å; E428-R499 PolarHBondContact N-O 3.16Å; E428-R499 VanDerWaalsContact N-O 3.15Å; E428-R499 PolarHBondContact O-N 3.05Å; E428-R499 IonicContact OE1-CZ 3.94Å; E428-R499 IonicContact OE1-NH1 3.47Å; E428-R499 PolarHBondContact OE1-NH1 2.68Å; E428-R499 IonicContact OE1-NH2 2.65Å; E428-R499 IonicContact OE2-CZ 3.93Å; E428-R499 IonicContact OE2-NH1 2.74Å; E428-K543 IonicContact OE2-NZ 2.93Å
429	L	96.4	Very high	95.8	Very high	9 Å²	9	25 Å²	25	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.1	171.7	-66.3	177	0	0	0	110.8	I427 T445 E446 L451 F473 F474 Y495 W497	I427-L429 HydrophobicContact CD1-CD1 4.17Å; I427-L429 HydrophobicContact CD1-CG 4.16Å; L429-T445 WeakPolarHBondContact O-CA 3.42Å; L429-E446 PolarHBondContact N-O 3.27Å; L429-E446 PolarHBondContact O-N 3.42Å; L429-L451 HydrophobicContact CD1-CD2 4.01Å; L429-F473 HydrophobicContact CD1-CE1 3.96Å; L429-F473 HydrophobicContact CD1-CZ 3.96Å; L429-F474 HydrophobicContact CD2-CE1 4.1Å; L429-F474 HydrophobicContact CD2-CZ 4.28Å; L429-Y495 HydrophobicContact CB-CD1 4.23Å; L429-Y495 HydrophobicContact CD1-CD1 4.02Å; L429-Y495 HydrophobicContact CD1-CE1 4.41Å; L429-W497 HydrophobicContact CD2-CD2 4.27Å; L429-W497 HydrophobicContact CD2-CE3 3.65Å; L429-W497 HydrophobicContact CD2-CZ3 3.88Å
430	H	94.8	Very high	95.7	Very high	43 Å²	43	28.2 Å²	28.2	20%	0.199	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	109.7	166.6	-99.3	-49.2	0	0	0	109.6	L443 N444 T445 Y495 T496 R498	H430-L443 HydrophobicContact CB-CD1 4.07Å; H430-N444 PolarHBondContact ND1-O 3.07Å; H430-T445 PolarHBondContact CE1-OG1 2.8Å; H430-T445 VanDerWaalsContact CE1-OG1 3.28Å; H430-T445 PolarHBondContact ND1-OG1 2.79Å; H430-Y495 CarbonylContact O-C 3.54Å; H430-Y495 WeakPolarHBondContact O-CA 3.43Å; H430-T496 WeakPolarHBondContact CB-OG1 3.38Å; H430-T496 PolarHBondContact N-O 3Å; H430-T496 PolarHBondContact O-N 3.34Å; H430-T496 PolarHBondContact O-OG1 3.39Å; H430-R498 HydrophobicContact CB-CB 4.44Å; H430-R498 WeakPolarHBondContact NE2-CD 3.34Å
431	S	95	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.5	171.1	44.9	0	0	0	0	110.3	L443 N444 E446 R494	S431-L443 WeakPolarHBondContact O-CA 3.31Å; S431-N444 PolarHBondContact O-N 3.22Å; S431-N444 WeakPolarHBondContact OG-CB 3.31Å; S431-E446 WeakPolarHBondContact CB-OE1 3.19Å; S431-E446 PolarHBondContact OG-OE1 2.76Å; S431-R494 WeakPolarHBondContact CA-O 3.31Å
432	S	94.8	Very high	95.5	Very high	34 Å²	34	33.9 Å²	33.9	24%	0.238	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121	174	-172.1	0	0	0	0	109.2	T442 L493 R494	S432-T442 WeakPolarHBondContact CA-O 3.43Å; S432-L493 CarbonylContact O-C 3.56Å; S432-L493 WeakPolarHBondContact O-CA 3.39Å; S432-R494 PolarHBondContact N-O 2.9Å; S432-R494 PolarHBondContact O-N 3.38Å
433	I	96	Very high	95.3	Very high	22 Å²	22	37.8 Å²	37.8	11%	0.113	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.5	174.5	-61.7	171.6	0	0	0	107.4	A441 T442 I479 H481 V492 L493	I433-A441 WeakPolarHBondContact O-CA 3.09Å; I433-T442 PolarHBondContact N-O 2.92Å; I433-T442 PolarHBondContact O-N 2.9Å; I433-I479 HydrophobicContact CD1-CD1 4.32Å; I433-I479 HydrophobicContact CG1-CD1 4.3Å; I433-I479 HydrophobicContact CG2-CD1 4.26Å; I433-H481 HydrophobicContact CG2-CB 4.36Å; I433-V492 WeakPolarHBondContact CA-O 3.18Å; I433-L493 HydrophobicContact CG1-CD1 3.86Å
434	V	96.4	Very high	95.3	Very high	54 Å²	54	41 Å²	41	33%	0.327	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121	-178.6	-174.5	0	0	0	0	110	E436 E440 A441 S491 V492	V434-E436 PolarHBondContact O-N 3.05Å; V434-E440 WeakPolarHBondContact CA-O 3.19Å; V434-A441 HydrophobicContact CG2-CB 4.04Å; V434-S491 CarbonylContact O-C 3.57Å; V434-S491 VanDerWaalsContact O-CA 3.23Å; V434-S491 WeakPolarHBondContact O-CA 3.38Å; V434-S491 WeakPolarHBondContact O-CB 3.31Å; V434-V492 PolarHBondContact N-O 3.04Å; V434-V492 PolarHBondContact O-N 2.93Å
435	C	96.8	Very high	95.2	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.034	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	125	-179.5	-178.7	0	0	0	0	112.1	G437 G439 E440 C483	C435-G437 PolarHBondContact O-N 2.9Å; C435-G437 PolarHBondContact SG-N 3.41Å; C435-G437 VanDerWaalsContact SG-N 3.41Å; C435-G439 WeakPolarHBondContact O-CA 3.38Å; C435-G439 PolarHBondContact O-N 3.12Å; C435-E440 HydrophobicContact CB-CB 4.37Å; C435-E440 PolarHBondContact N-O 3.47Å; C435-C483 HydrophobicContact CB-CB 3.97Å; C435-C483 WeakPolarHBondContact SG-CB 3.48Å
436	E	95.8	Very high	95.1	Very high	92 Å²	92	47.4 Å²	47.4	43%	0.43	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.4	179.4	-58.3	-158.1	113	0	0	113.5	V434 K478 N490 V492	V434-E436 PolarHBondContact O-N 3.05Å; E436-K478 IonicContact OE1-NZ 2.61Å; E436-K478 PolarHBondContact OE1-NZ 3.19Å; E436-K478 IonicContact OE2-NZ 2.89Å; E436-K478 PolarHBondContact OE2-NZ 3.19Å; E436-N490 HydrophobicContact CB-CB 4.39Å; E436-N490 HydrophobicContact CG-CB 4.32Å; E436-N490 PolarHBondContact N-O 3.14Å; E436-N490 WeakPolarHBondContact OE2-CB 3.43Å; E436-V492 HydrophobicContact CG-CG2 4.04Å
437	G	94	Very high	95.1	Very high	53 Å²	53	49.7 Å²	49.7	55%	0.546	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-25.1	-175.8	0	0	0	0	0	115.2	C435 N488	C435-G437 PolarHBondContact O-N 2.9Å; C435-G437 PolarHBondContact SG-N 3.41Å; C435-G437 VanDerWaalsContact SG-N 3.41Å; G437-N488 PolarHBondContact N-ND2 3.14Å
438	C	95.4	Very high	95.1	Very high	57 Å²	57	51.3 Å²	51.3	39%	0.385	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.4	0.9	-177.7	71.2	0	0	0	0	115.7	E440 C486	C438-E440 PolarHBondContact O-N 3.21Å; C438-E440 VanDerWaalsContact SG-CB 3.56Å; C438-C486 HydrophobicContact CB-CB 3.89Å; C438-C486 PolarHBondContact SG-SG 2.88Å
439	G	93.6	Very high	95.2	Very high	51 Å²	51	50.9 Å²	50.9	53%	0.526	31%	0.313	S	S	.	.			trans	72.9	4.1	179.7	0	0	0	0	0	115.4	C435 A441	C435-G439 WeakPolarHBondContact O-CA 3.38Å; C435-G439 PolarHBondContact O-N 3.12Å; G439-A441 PolarHBondContact O-N 3.49Å
440	E	93.9	Very high	95.2	Very high	89 Å²	89	53 Å²	53	42%	0.416	32%	0.32	S	S	.	.			trans	-59.8	129.4	176.1	-168.3	69.4	-106.2	0	0	110.4	V434 C435 C438 N485	V434-E440 WeakPolarHBondContact CA-O 3.19Å; C435-E440 HydrophobicContact CB-CB 4.37Å; C435-E440 PolarHBondContact N-O 3.47Å; C438-E440 PolarHBondContact O-N 3.21Å; C438-E440 VanDerWaalsContact SG-CB 3.56Å; E440-N485 HydrophobicContact CG-CB 4.4Å; E440-N485 PolarHBondContact OE2-ND2 3.31Å
441	A	93	Very high	95.4	Very high	58 Å²	58	51 Å²	51	48%	0.479	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.9	-171.2	0	0	0	0	0	111.5	I433 V434 G439	I433-A441 WeakPolarHBondContact O-CA 3.09Å; V434-A441 HydrophobicContact CG2-CB 4.04Å; G439-A441 PolarHBondContact O-N 3.49Å
442	T	93.3	Very high	95.5	Very high	61 Å²	61	52.6 Å²	52.6	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126	171.4	-53.1	0	0	0	0	109.4	S432 I433	S432-T442 WeakPolarHBondContact CA-O 3.43Å; I433-T442 PolarHBondContact N-O 2.92Å; I433-T442 PolarHBondContact O-N 2.9Å
443	L	93	Very high	95.6	Very high	105 Å²	105	51 Å²	51	55%	0.55	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.9	174.5	-177.3	68.8	0	0	0	109.7	H430 S431	H430-L443 HydrophobicContact CB-CD1 4.07Å; S431-L443 WeakPolarHBondContact O-CA 3.31Å
444	N	94.3	Very high	95.6	Very high	73 Å²	73	53.9 Å²	53.9	39%	0.39	33%	0.327	S	S	.	.			trans	-101.5	179	176.3	-70.7	-34.6	0	0	0	111	H430 S431	H430-N444 PolarHBondContact ND1-O 3.07Å; S431-N444 PolarHBondContact O-N 3.22Å; S431-N444 WeakPolarHBondContact OG-CB 3.31Å
445	T	95.8	Very high	95.4	Very high	55 Å²	55	52.4 Å²	52.4	34%	0.337	32%	0.317	S	S	.	.			trans	-135.2	126.8	168.4	-68.3	0	0	0	0	108	L429 H430 R498	L429-T445 WeakPolarHBondContact O-CA 3.42Å; H430-T445 PolarHBondContact CE1-OG1 2.8Å; H430-T445 VanDerWaalsContact CE1-OG1 3.28Å; H430-T445 PolarHBondContact ND1-OG1 2.79Å; T445-R498 PolarHBondContact OG1-NH1 3.48Å
446	E	95.5	Very high	95	Very high	78 Å²	78	52.2 Å²	52.2	36%	0.364	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.4	-179.2	-73.3	166.7	-135.6	0	0	108.9	L429 S431 Y495	L429-E446 PolarHBondContact N-O 3.27Å; L429-E446 PolarHBondContact O-N 3.42Å; S431-E446 WeakPolarHBondContact CB-OE1 3.19Å; S431-E446 PolarHBondContact OG-OE1 2.76Å; E446-Y495 WeakPolarHBondContact OE2-CE1 3.25Å; E446-Y495 PolarHBondContact OE2-OH 3.14Å
447	V	96.3	Very high	94.3	Very high	82 Å²	82	55.2 Å²	55.2	50%	0.497	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.6	-177.8	-176	0	0	0	0	107.8	E426 I427	E426-V447 HydrophobicContact CG-CG1 3.51Å; I427-V447 WeakPolarHBondContact O-CA 3.29Å
448	S	96.8	Very high	93	Very high	36 Å²	36	55.7 Å²	55.7	25%	0.252	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	169.3	-179.5	-178.2	0	0	0	0	109.9	E426 I427 Y450	E426-S448 CarbonylContact C-O 3.34Å; E426-S448 WeakPolarHBondContact CA-O 3.15Å; I427-S448 WeakPolarHBondContact CG1-O 3.37Å; I427-S448 PolarHBondContact N-O 2.93Å; I427-S448 PolarHBondContact O-N 3.42Å; S448-Y450 PolarHBondContact OG-N 3.25Å; S448-Y450 PolarHBondContact OG-O 2.69Å
449	N	97.8	Very high	91.2	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.064	34%	0.344	C	S	.	.	S	Bend	trans	-103	-4.9	171.5	-55.2	-35.9	0	0	0	112.6	L389 K393 F425	L389-N449 HydrophobicContact CD1-CB 3.84Å; K393-N449 WeakPolarHBondContact CE-OD1 3.48Å; K393-N449 PolarHBondContact NZ-OD1 3.16Å; F425-N449 CarbonylContact O-C 3.49Å
450	Y	98	Very high	89.4	Confident	52 Å²	52	65.2 Å²	65.2	20%	0.204	36%	0.363	C	S	.	.	S	Bend	trans	-161	166.1	-174.9	51.7	-109.1	0	0	0	111.9	H382 S386 S448 I505	H382-Y450 AromaticContact CE1-CE2 3.75Å; H382-Y450 AromaticContact CE1-CZ 3.66Å; H382-Y450 AromaticContact NE2-CD2 3.57Å; H382-Y450 AromaticContact NE2-CE1 3.81Å; H382-Y450 AromaticContact NE2-CE2 3.19Å; H382-Y450 WeakPolarHBondContact NE2-CE2 3.47Å; H382-Y450 AromaticContact NE2-CZ 3.31Å; H382-Y450 VanDerWaalsContact NE2-CZ 3.31Å; S386-Y450 WeakPolarHBondContact OG-CE1 3.47Å; S386-Y450 PolarHBondContact OG-OH 3.35Å; S386-Y450 VanDerWaalsContact OG-OH 3.05Å; S448-Y450 PolarHBondContact OG-N 3.25Å; S448-Y450 PolarHBondContact OG-O 2.69Å; Y450-I505 CarbonylContact C-O 3.44Å; Y450-I505 WeakPolarHBondContact CA-O 3.29Å
451	L	98.1	Very high	87.6	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.016	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.6	164.3	-67.4	-177.8	0	0	0	110.5	I427 L429 V453 L470 F473 F474 W497 L504 I505 V506 H507	I427-L451 HydrophobicContact CD1-CD2 3.45Å; I427-L451 VanDerWaalsContact CD1-CD2 3.45Å; I427-L451 HydrophobicContact CD1-CG 3.9Å; L429-L451 HydrophobicContact CD1-CD2 4.01Å; L451-V453 HydrophobicContact CB-CG1 3.92Å; L451-V453 PolarHBondContact O-N 3.01Å; L451-L470 HydrophobicContact CD1-CD1 3.46Å; L451-L470 VanDerWaalsContact CD1-CD1 3.46Å; L451-F473 HydrophobicContact CD1-CD1 4.4Å; L451-F473 HydrophobicContact CD2-CD1 4.2Å; L451-F473 HydrophobicContact CD2-CE1 3.6Å; L451-F473 HydrophobicContact CD2-CE2 4.27Å; L451-F473 HydrophobicContact CD2-CZ 3.65Å; L451-F474 HydrophobicContact CD1-CE2 4.33Å; L451-F474 HydrophobicContact CD1-CZ 4.35Å; L451-W497 HydrophobicContact CD1-CH2 3.67Å; L451-W497 HydrophobicContact CD1-CZ2 4.02Å; L451-W497 HydrophobicContact CG-CH2 4.35Å; L451-L504 HydrophobicContact CD1-CD1 4.2Å; L451-L504 HydrophobicContact CG-CD1 4.21Å; L451-I505 PolarHBondContact N-O 2.89Å; L451-V506 WeakPolarHBondContact O-CA 3.44Å; L451-H507 PolarHBondContact O-N 3.38Å
452	S	97.8	Very high	85.9	Confident	32 Å²	32	70.8 Å²	70.8	22%	0.224	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	102.4	165.6	-73.5	0	0	0	0	108.8	H382 H507 K509	H382-S452 PolarHBondContact NE2-OG 3.4Å; S452-H507 CarbonylContact C-O 3.53Å; S452-H507 WeakPolarHBondContact CA-O 3.42Å; S452-H507 PolarHBondContact OG-ND1 2.75Å; S452-K509 WeakPolarHBondContact O-CE 3.5Å
453	V	96.7	Very high	84.6	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151	-175.2	-56.1	0	0	0	0	111.5	L451 F473 V506 H507 L508 K509	L451-V453 HydrophobicContact CB-CG1 3.92Å; L451-V453 PolarHBondContact O-N 3.01Å; V453-F473 HydrophobicContact CG1-CB 3.93Å; V453-F473 HydrophobicContact CG1-CD2 4.2Å; V453-F473 HydrophobicContact CG1-CG 4.19Å; V453-V506 HydrophobicContact CG1-CG1 4.29Å; V453-V506 HydrophobicContact CG2-CG1 3.61Å; V453-H507 PolarHBondContact N-O 3.42Å; V453-L508 HydrophobicContact CG2-CD2 3.71Å; V453-K509 WeakPolarHBondContact O-CB 3.29Å; V453-K509 PolarHBondContact O-N 3.09Å
454	D	94.8	Very high	84.5	Confident	84 Å²	84	69 Å²	69	45%	0.449	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-78.7	157.2	177.7	-61.2	-73.8	0	0	0	111.6	S469 K509	D454-S469 VanDerWaalsContact O-CB 3.28Å; D454-S469 WeakPolarHBondContact O-CB 3.27Å; D454-S469 PolarHBondContact O-OG 2.9Å; D454-K509 VanDerWaalsContact OD1-CE 3.27Å; D454-K509 WeakPolarHBondContact OD1-CE 3.37Å; D454-K509 IonicContact OD1-NZ 2.73Å; D454-K509 PolarHBondContact OD1-NZ 2.9Å; D454-K509 IonicContact OD2-NZ 3.85Å; D454-K509 PolarHBondContact OD2-NZ 2.92Å
455	L	93.1	Very high	84.5	Confident	22 Å²	22	66.1 Å²	66.1	12%	0.115	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-62.4	144.4	175.5	-67.9	174	0	0	0	111	Q457 L508 R510 S522 Q524 V526	L455-Q457 PolarHBondContact O-N 3.14Å; L455-L508 HydrophobicContact CD2-CB 4.35Å; L455-R510 HydrophobicContact CD2-CG 4.13Å; L455-S522 WeakPolarHBondContact CD1-OG 3.37Å; L455-Q524 HydrophobicContact CD1-CB 4.41Å; L455-V526 HydrophobicContact CD2-CG2 3.75Å
456	P	88.4	Confident	84.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-70.5	134.9	-172.9	29.4	-31.8	0	0	0	109.9	L464 K468 S469 L472 Q524 V526	P456-L464 HydrophobicContact CB-CD2 4.36Å; P456-L464 HydrophobicContact CG-CB 3.9Å; P456-L464 HydrophobicContact CG-CD2 4.33Å; P456-K468 HydrophobicContact CB-CB 4.05Å; P456-K468 HydrophobicContact CB-CG 3.97Å; P456-S469 WeakPolarHBondContact CD-OG 3.32Å; P456-L472 HydrophobicContact CB-CD1 4.49Å; P456-Q524 PolarHBondContact O-NE2 3.29Å; P456-V526 HydrophobicContact CG-CG1 4.35Å; P456-V526 HydrophobicContact CG-CG2 4.15Å
457	Q	81.1	Confident	84.4	Confident	156 Å²	156	60.9 Å²	60.9	73%	0.729	33%	0.333	S	S	*	.			trans	-109.5	131.5	179.7	-58	-178.3	29.1	0	0	109.5	L455	L455-Q457 PolarHBondContact O-N 3.14Å
458	G	66.4	Low	84.3	Confident	62 Å²	62	60.9 Å²	60.9	64%	0.639	33%	0.326	S	S	*	.			trans	-178.4	169.1	-177.4	0	0	0	0	0	113.5
459	T	57.3	Low	84.2	Confident	97 Å²	97	59.2 Å²	59.2	60%	0.595	31%	0.314	S	S	*	.			trans	-80.9	176.5	167.8	55.4	0	0	0	0	110.6	D461	T459-D461 WeakPolarHBondContact CB-OD2 3.44Å; T459-D461 PolarHBondContact O-N 3.36Å; T459-D461 VanDerWaalsContact O-N 3.08Å; T459-D461 PolarHBondContact OG1-OD2 3.36Å
460	K	56.3	Low	84.1	Confident	211 Å²	211	58.6 Å²	58.6	92%	0.917	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.7	-176	-65.2	-174.4	176.5	-175.1	0	114.6	H462	K460-H462 VanDerWaalsContact C-N 3.34Å
461	D	55.4	Low	83.9	Confident	124 Å²	124	58.2 Å²	58.2	66%	0.663	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.6	-167.5	-39.9	-79.6	0	0	0	113	T459	T459-D461 WeakPolarHBondContact CB-OD2 3.44Å; T459-D461 PolarHBondContact O-N 3.36Å; T459-D461 VanDerWaalsContact O-N 3.08Å; T459-D461 PolarHBondContact OG1-OD2 3.36Å
462	H	57.5	Low	83.7	Confident	140 Å²	140	60.8 Å²	60.8	65%	0.648	33%	0.326	S	S	*	.	S	Bend	trans	-134.7	146.2	177.8	-68.4	-25.4	0	0	0	111.5	K460 L464	K460-H462 VanDerWaalsContact C-N 3.34Å; H462-L464 PolarHBondContact O-N 3.01Å
463	P	67	Low	83.6	Confident	76 Å²	76	61.4 Å²	61.4	49%	0.494	33%	0.325	S	S	.	.			trans	-62	133.7	173.8	25.1	-33	0	0	0	111.2	S465 E527	P463-S465 PolarHBondContact O-N 3Å; P463-E527 WeakPolarHBondContact CB-OE2 3.33Å
464	L	89.8	Confident	83.6	Confident	53 Å²	53	61.7 Å²	61.7	28%	0.277	33%	0.326	S	S	.	.			trans	-80.3	65.7	174.9	-68.2	177	0	0	0	109.2	P456 H462 Q524 V526 E527	P456-L464 HydrophobicContact CB-CD2 4.36Å; P456-L464 HydrophobicContact CG-CB 3.9Å; P456-L464 HydrophobicContact CG-CD2 4.33Å; H462-L464 PolarHBondContact O-N 3.01Å; L464-Q524 HydrophobicContact CD1-CG 4.45Å; L464-V526 CarbonylContact O-C 3.58Å; L464-V526 WeakPolarHBondContact O-CA 3.5Å; L464-E527 PolarHBondContact O-N 3.48Å
465	S	93.8	Very high	83.6	Confident	13 Å²	13	61.2 Å²	61.2	9%	0.091	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-89.7	161.6	-171.1	70.4	0	0	0	0	114.8	P463 Q467 K468 S469 E527	P463-S465 PolarHBondContact O-N 3Å; S465-Q467 VanDerWaalsContact C-N 3.29Å; S465-Q467 PolarHBondContact O-N 3.33Å; S465-K468 WeakPolarHBondContact O-CA 3.47Å; S465-K468 WeakPolarHBondContact O-CB 3.45Å; S465-K468 PolarHBondContact O-N 3.21Å; S465-K468 PolarHBondContact OG-N 3.21Å; S465-K468 VanDerWaalsContact OG-N 3.17Å; S465-S469 PolarHBondContact O-N 3.39Å; S465-S469 VanDerWaalsContact O-N 3.14Å; S465-E527 WeakPolarHBondContact CA-O 3.04Å
466	I	94.9	Very high	83.7	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-31.6	171.1	-172.7	161.4	0	0	0	112.6	K468 S469 L470 V506 L508 V526 E527 L532 F848 Y850	I466-K468 VanDerWaalsContact C-N 3.29Å; I466-K468 PolarHBondContact O-N 2.94Å; I466-S469 PolarHBondContact O-N 3.06Å; I466-L470 PolarHBondContact O-N 2.86Å; I466-V506 HydrophobicContact CD1-CB 4.42Å; I466-V506 HydrophobicContact CD1-CG1 4.17Å; I466-V506 HydrophobicContact CG1-CG1 4.32Å; I466-L508 HydrophobicContact CG1-CD2 4.37Å; I466-V526 HydrophobicContact CB-CG1 4.19Å; I466-E527 WeakPolarHBondContact CG2-O 3.45Å; I466-E527 PolarHBondContact N-O 2.96Å; I466-L532 HydrophobicContact CG2-CD2 4.24Å; I466-F848 HydrophobicContact CD1-CB 3.91Å; I466-F848 HydrophobicContact CD1-CD1 3.77Å; I466-F848 HydrophobicContact CD1-CD2 3.44Å; I466-F848 VanDerWaalsContact CD1-CD2 3.44Å; I466-F848 HydrophobicContact CD1-CE1 4.13Å; I466-F848 HydrophobicContact CD1-CE2 3.86Å; I466-F848 HydrophobicContact CD1-CG 3.41Å; I466-F848 VanDerWaalsContact CD1-CG 3.41Å; I466-F848 HydrophobicContact CD1-CZ 4.17Å; I466-Y850 HydrophobicContact CD1-CE2 3.94Å; I466-Y850 VanDerWaalsContact CG2-OH 3.24Å; I466-Y850 WeakPolarHBondContact CG2-OH 3.26Å
467	Q	95.2	Very high	84	Confident	23 Å²	23	69.5 Å²	69.5	11%	0.107	37%	0.371	C	S	.	.	H	α-helix	trans	-58.2	-43	166.6	180	67.3	55.9	0	0	110.8	S465 S469 L470 D471 L532 T533	S465-Q467 VanDerWaalsContact C-N 3.29Å; S465-Q467 PolarHBondContact O-N 3.33Å; Q467-S469 VanDerWaalsContact C-N 3.33Å; Q467-S469 PolarHBondContact O-N 2.94Å; Q467-L470 WeakPolarHBondContact O-CB 3.29Å; Q467-L470 PolarHBondContact O-N 2.88Å; Q467-L470 VanDerWaalsContact O-N 3.12Å; Q467-D471 PolarHBondContact NE2-OD1 2.62Å; Q467-D471 VanDerWaalsContact O-CG 3.26Å; Q467-D471 PolarHBondContact O-N 2.93Å; Q467-L532 HydrophobicContact CB-CD2 3.84Å; Q467-T533 VanDerWaalsContact CD-OG1 3.32Å; Q467-T533 PolarHBondContact NE2-O 2.81Å; Q467-T533 PolarHBondContact NE2-OG1 3.02Å; Q467-T533 PolarHBondContact OE1-O 3.02Å; Q467-T533 PolarHBondContact OE1-OG1 2.93Å; Q467-T533 VanDerWaalsContact OE1-OG1 3.13Å
468	K	93.6	Very high	84.7	Confident	82 Å²	82	69 Å²	69	36%	0.357	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-37	179	-173	56.7	174.1	179.2	0	112.4	P456 S465 I466 L472	P456-K468 HydrophobicContact CB-CB 4.05Å; P456-K468 HydrophobicContact CB-CG 3.97Å; S465-K468 WeakPolarHBondContact O-CA 3.47Å; S465-K468 WeakPolarHBondContact O-CB 3.45Å; S465-K468 PolarHBondContact O-N 3.21Å; S465-K468 PolarHBondContact OG-N 3.21Å; S465-K468 VanDerWaalsContact OG-N 3.17Å; I466-K468 VanDerWaalsContact C-N 3.29Å; I466-K468 PolarHBondContact O-N 2.94Å; K468-L472 HydrophobicContact CG-CD1 4.36Å; K468-L472 WeakPolarHBondContact O-CB 3.37Å; K468-L472 WeakPolarHBondContact O-CD1 3.05Å; K468-L472 WeakPolarHBondContact O-CG 3.18Å; K468-L472 PolarHBondContact O-N 2.99Å
469	S	95.1	Very high	86	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-41.2	170.6	-81	0	0	0	0	113.1	D454 P456 S465 I466 Q467 L472 F473	D454-S469 VanDerWaalsContact O-CB 3.28Å; D454-S469 WeakPolarHBondContact O-CB 3.27Å; D454-S469 PolarHBondContact O-OG 2.9Å; P456-S469 WeakPolarHBondContact CD-OG 3.32Å; S465-S469 PolarHBondContact O-N 3.39Å; S465-S469 VanDerWaalsContact O-N 3.14Å; I466-S469 PolarHBondContact O-N 3.06Å; Q467-S469 VanDerWaalsContact C-N 3.33Å; Q467-S469 PolarHBondContact O-N 2.94Å; S469-L472 PolarHBondContact O-N 2.87Å; S469-F473 PolarHBondContact O-N 2.83Å
470	L	95.9	Very high	87.8	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-46.3	175.4	-175.8	67.6	0	0	0	111.2	L451 I466 Q467 L472 F473 F474 L532 V534	L451-L470 HydrophobicContact CD1-CD1 3.46Å; L451-L470 VanDerWaalsContact CD1-CD1 3.46Å; I466-L470 PolarHBondContact O-N 2.86Å; Q467-L470 WeakPolarHBondContact O-CB 3.29Å; Q467-L470 PolarHBondContact O-N 2.88Å; Q467-L470 VanDerWaalsContact O-N 3.12Å; L470-L472 VanDerWaalsContact C-N 3.32Å; L470-L472 PolarHBondContact O-N 3.04Å; L470-F473 WeakPolarHBondContact O-CB 3.28Å; L470-F473 PolarHBondContact O-N 2.81Å; L470-F474 HydrophobicContact CD1-CE2 3.92Å; L470-F474 HydrophobicContact CG-CE2 4.29Å; L470-F474 VanDerWaalsContact O-CD2 3.29Å; L470-F474 WeakPolarHBondContact O-CD2 3.48Å; L470-L532 HydrophobicContact CD2-CB 4.49Å; L470-L532 HydrophobicContact CD2-CD1 4.27Å; L470-L532 HydrophobicContact CD2-CD2 4.17Å; L470-V534 HydrophobicContact CD2-CG1 4.26Å
471	D	94.8	Very high	89.4	Confident	44 Å²	44	64.2 Å²	64.2	24%	0.235	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-41.2	177.9	-65.8	-28.7	0	0	0	112	Q467 F473 F474 T475 H537	Q467-D471 PolarHBondContact NE2-OD1 2.62Å; Q467-D471 VanDerWaalsContact O-CG 3.26Å; Q467-D471 PolarHBondContact O-N 2.93Å; D471-F473 VanDerWaalsContact C-N 3.31Å; D471-F473 PolarHBondContact O-N 2.86Å; D471-F474 PolarHBondContact O-N 2.96Å; D471-F474 VanDerWaalsContact O-N 3.13Å; D471-T475 PolarHBondContact O-N 2.93Å; D471-H537 IonicContact OD1-CD2 3.64Å; D471-H537 IonicContact OD1-CE1 3.36Å; D471-H537 IonicContact OD1-NE2 3.7Å; D471-H537 PolarHBondContact OD1-NE2 2.93Å
472	L	93.9	Very high	91.2	Very high	56 Å²	56	63.6 Å²	63.6	29%	0.293	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-38.3	177.5	-76.7	165.9	0	0	0	112.1	P456 K468 S469 L470 F474 T475	P456-L472 HydrophobicContact CB-CD1 4.49Å; K468-L472 HydrophobicContact CG-CD1 4.36Å; K468-L472 WeakPolarHBondContact O-CB 3.37Å; K468-L472 WeakPolarHBondContact O-CD1 3.05Å; K468-L472 WeakPolarHBondContact O-CG 3.18Å; K468-L472 PolarHBondContact O-N 2.99Å; S469-L472 PolarHBondContact O-N 2.87Å; L470-L472 VanDerWaalsContact C-N 3.32Å; L470-L472 PolarHBondContact O-N 3.04Å; L472-F474 PolarHBondContact O-N 3.15Å; L472-T475 PolarHBondContact O-N 3.34Å; L472-T475 VanDerWaalsContact O-N 3.07Å; L472-T475 PolarHBondContact O-OG1 3.15Å
473	F	95.5	Very high	92.9	Very high	45 Å²	45	57.2 Å²	57.2	20%	0.197	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-28.5	175.6	179	-87.8	0	0	0	113.4	L429 L451 V453 S469 L470 D471 Y495	L429-F473 HydrophobicContact CD1-CE1 3.96Å; L429-F473 HydrophobicContact CD1-CZ 3.96Å; L451-F473 HydrophobicContact CD1-CD1 4.4Å; L451-F473 HydrophobicContact CD2-CD1 4.2Å; L451-F473 HydrophobicContact CD2-CE1 3.6Å; L451-F473 HydrophobicContact CD2-CE2 4.27Å; L451-F473 HydrophobicContact CD2-CZ 3.65Å; V453-F473 HydrophobicContact CG1-CB 3.93Å; V453-F473 HydrophobicContact CG1-CD2 4.2Å; V453-F473 HydrophobicContact CG1-CG 4.19Å; S469-F473 PolarHBondContact O-N 2.83Å; L470-F473 WeakPolarHBondContact O-CB 3.28Å; L470-F473 PolarHBondContact O-N 2.81Å; D471-F473 VanDerWaalsContact C-N 3.31Å; D471-F473 PolarHBondContact O-N 2.86Å; F473-Y495 HydrophobicContact CE1-CD2 4.13Å; F473-Y495 HydrophobicContact CE1-CG 4.02Å; F473-Y495 HydrophobicContact CZ-CD2 4.1Å; F473-Y495 HydrophobicContact CZ-CE2 4.33Å; F473-Y495 HydrophobicContact CZ-CG 4.24Å
474	F	95.4	Very high	94.1	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.026	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2	177.2	-68.7	-73	0	0	0	114.2	L429 L451 L470 D471 L472 W497 H537	L429-F474 HydrophobicContact CD2-CE1 4.1Å; L429-F474 HydrophobicContact CD2-CZ 4.28Å; L451-F474 HydrophobicContact CD1-CE2 4.33Å; L451-F474 HydrophobicContact CD1-CZ 4.35Å; L470-F474 HydrophobicContact CD1-CE2 3.92Å; L470-F474 HydrophobicContact CG-CE2 4.29Å; L470-F474 VanDerWaalsContact O-CD2 3.29Å; L470-F474 WeakPolarHBondContact O-CD2 3.48Å; D471-F474 PolarHBondContact O-N 2.96Å; D471-F474 VanDerWaalsContact O-N 3.13Å; L472-F474 PolarHBondContact O-N 3.15Å; F474-W497 HydrophobicContact CE1-CD2 4.43Å; F474-W497 AromaticContact CE2-CE2 3.89Å; F474-W497 AromaticContact CE2-CZ2 3.84Å; F474-W497 HydrophobicContact CE2-CZ2 3.84Å; F474-W497 AromaticContact CE2-NE1 3.81Å; F474-W497 AromaticContact CZ-CD2 3.94Å; F474-W497 HydrophobicContact CZ-CD2 3.94Å; F474-W497 AromaticContact CZ-CE2 3.37Å; F474-W497 HydrophobicContact CZ-CG 4.45Å; F474-W497 HydrophobicContact CZ-CH2 4.18Å; F474-W497 AromaticContact CZ-CZ2 3.52Å; F474-W497 HydrophobicContact CZ-CZ2 3.52Å; F474-W497 AromaticContact CZ-NE1 3.52Å; F474-H537 HydrophobicContact CB-CB 4.23Å; F474-H537 VanDerWaalsContact CB-ND1 3.28Å; F474-H537 WeakPolarHBondContact CB-ND1 3.35Å; F474-H537 HydrophobicContact CD1-CB 3.97Å; F474-H537 HydrophobicContact CD2-CB 3.87Å; F474-H537 AromaticContact CD2-CD2 3.54Å; F474-H537 AromaticContact CD2-CG 3.49Å; F474-H537 VanDerWaalsContact CD2-CG 3.49Å; F474-H537 AromaticContact CD2-ND1 3.98Å; F474-H537 HydrophobicContact CE1-CB 4.34Å; F474-H537 HydrophobicContact CE2-CB 4.25Å; F474-H537 HydrophobicContact CG-CB 3.74Å; F474-H537 AromaticContact CG-CG 3.55Å; F474-H537 AromaticContact CG-ND1 3.73Å; F474-H537 HydrophobicContact CZ-CB 4.48Å
475	T	94.4	Very high	94.3	Very high	74 Å²	74	64.4 Å²	64.4	45%	0.454	32%	0.322	S	S	.	.	S	Bend	trans	-69.6	147.6	173.5	61.8	0	0	0	0	111.6	D471 L472 E477	D471-T475 PolarHBondContact O-N 2.93Å; L472-T475 PolarHBondContact O-N 3.34Å; L472-T475 VanDerWaalsContact O-N 3.07Å; L472-T475 PolarHBondContact O-OG1 3.15Å; T475-E477 PolarHBondContact O-N 2.91Å
476	P	95.4	Very high	94.3	Very high	82 Å²	82	66.2 Å²	66.2	53%	0.532	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-70.4	118.2	178.7	-17.4	31.7	0	0	0	112.1	V492 L493 R494	P476-V492 HydrophobicContact CB-CG1 3.5Å; P476-L493 CarbonylContact C-O 3.46Å; P476-L493 VanDerWaalsContact CA-O 3.3Å; P476-L493 WeakPolarHBondContact CA-O 3.13Å; P476-R494 HydrophobicContact CB-CB 4.46Å; P476-R494 HydrophobicContact CG-CG 4.39Å
477	E	94.8	Very high	94.2	Very high	116 Å²	116	73.5 Å²	73.5	54%	0.542	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.6	178.8	-172.8	-176.4	-166.1	0	0	110.8	T475 I479 V492 L493	T475-E477 PolarHBondContact O-N 2.91Å; E477-I479 HydrophobicContact CB-CG2 4.4Å; E477-I479 HydrophobicContact CG-CG2 4Å; E477-V492 CarbonylContact O-C 3.52Å; E477-V492 WeakPolarHBondContact O-CA 3.26Å; E477-L493 PolarHBondContact N-O 2.83Å; E477-L493 PolarHBondContact O-N 3.43Å
478	K	95.6	Very high	94	Very high	144 Å²	144	74.8 Å²	74.8	63%	0.626	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.2	168	-79.7	175.8	171.8	-72.4	0	109.6	E436 V492	E436-K478 IonicContact OE1-NZ 2.61Å; E436-K478 PolarHBondContact OE1-NZ 3.19Å; E436-K478 IonicContact OE2-NZ 2.89Å; E436-K478 PolarHBondContact OE2-NZ 3.19Å; K478-V492 HydrophobicContact CG-CG2 4.46Å
479	I	94.9	Very high	94	Very high	40 Å²	40	76.5 Å²	76.5	21%	0.205	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.1	-178.4	64.4	159.3	0	0	0	112.5	I433 E477 H481 S491 L493	I433-I479 HydrophobicContact CD1-CD1 4.32Å; I433-I479 HydrophobicContact CG1-CD1 4.3Å; I433-I479 HydrophobicContact CG2-CD1 4.26Å; E477-I479 HydrophobicContact CB-CG2 4.4Å; E477-I479 HydrophobicContact CG-CG2 4Å; I479-H481 HydrophobicContact CD1-CB 3.92Å; I479-H481 HydrophobicContact CG1-CB 4.26Å; I479-H481 PolarHBondContact O-N 3.29Å; I479-S491 PolarHBondContact N-O 2.62Å; I479-S491 PolarHBondContact O-N 2.72Å; I479-L493 HydrophobicContact CD1-CB 3.89Å; I479-L493 HydrophobicContact CD1-CD2 4.44Å; I479-L493 HydrophobicContact CG1-CB 4.02Å; I479-L493 HydrophobicContact CG2-CB 3.88Å; I479-L493 HydrophobicContact CG2-CD2 4.15Å
480	E	94.2	Very high	94.1	Very high	168 Å²	168	80.3 Å²	80.3	79%	0.785	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	111.5	163.8	-72.1	-164.7	-160.2	0	0	110.1	K489	E480-K489 CarbonylContact C-O 3.57Å; E480-K489 WeakPolarHBondContact CA-O 3.14Å
481	H	91.1	Very high	94.1	Very high	63 Å²	63	80.4 Å²	80.4	29%	0.292	40%	0.401	S	S	.	.			trans	-146.4	116.8	177.6	172	-94.2	0	0	0	110	I433 I479 C483 K489 S491	I433-H481 HydrophobicContact CG2-CB 4.36Å; I479-H481 HydrophobicContact CD1-CB 3.92Å; I479-H481 HydrophobicContact CG1-CB 4.26Å; I479-H481 PolarHBondContact O-N 3.29Å; H481-C483 PolarHBondContact O-N 3.47Å; H481-C483 VanDerWaalsContact O-N 3.08Å; H481-K489 CarbonylContact C-O 3.52Å; H481-K489 PolarHBondContact N-O 2.95Å; H481-K489 CarbonylContact O-C 3.55Å; H481-K489 VanDerWaalsContact O-O 3.04Å; H481-S491 PolarHBondContact ND1-OG 2.82Å; H481-S491 PolarHBondContact O-OG 3.26Å
482	N	92.4	Very high	94.2	Very high	111 Å²	111	80.1 Å²	80.1	59%	0.594	40%	0.401	S	S	*	.			trans	-68.8	102.1	179.8	-65.4	-59.8	0	0	0	110.7	E484	N482-E484 PolarHBondContact O-N 3.39Å
483	C	92.9	Very high	94.3	Very high	5 Å²	5	78.4 Å²	78.4	3%	0.034	39%	0.392	C	S	.	.			trans	-61.5	124.9	178.2	178	0	0	0	0	111.7	C435 H481 N485 C486 K487 N488	C435-C483 HydrophobicContact CB-CB 3.97Å; C435-C483 WeakPolarHBondContact SG-CB 3.48Å; H481-C483 PolarHBondContact O-N 3.47Å; H481-C483 VanDerWaalsContact O-N 3.08Å; C483-N485 VanDerWaalsContact C-N 3.27Å; C483-N485 PolarHBondContact O-N 3.44Å; C483-C486 VanDerWaalsContact SG-SG 3.67Å; C483-K487 VanDerWaalsContact O-CA 3.25Å; C483-K487 WeakPolarHBondContact O-CA 3.24Å; C483-K487 PolarHBondContact O-N 2.89Å; C483-N488 PolarHBondContact N-O 3.41Å
484	E	92.9	Very high	94.3	Very high	173 Å²	173	81.9 Å²	81.9	81%	0.808	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.2	-179.7	-62.8	-165.6	161.4	0	0	112.8	N482 K487	N482-E484 PolarHBondContact O-N 3.39Å; E484-K487 PolarHBondContact O-NZ 2.97Å
485	N	92.9	Very high	94.3	Very high	107 Å²	107	83.6 Å²	83.6	57%	0.572	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-63.5	-176.8	-170.4	-9.9	0	0	0	111.9	E440 C483	E440-N485 HydrophobicContact CG-CB 4.4Å; E440-N485 PolarHBondContact OE2-ND2 3.31Å; C483-N485 VanDerWaalsContact C-N 3.27Å; C483-N485 PolarHBondContact O-N 3.44Å
486	C	93.6	Very high	94.3	Very high	52 Å²	52	81.5 Å²	81.5	35%	0.351	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-3.9	-171.9	71.9	0	0	0	0	116.2	C438 C483 N488	C438-C486 HydrophobicContact CB-CB 3.89Å; C438-C486 PolarHBondContact SG-SG 2.88Å; C483-C486 VanDerWaalsContact SG-SG 3.67Å; C486-N488 PolarHBondContact O-N 3.13Å; C486-N488 VanDerWaalsContact O-N 3.11Å; C486-N488 WeakPolarHBondContact SG-CB 3.3Å
487	K	93.3	Very high	94.3	Very high	152 Å²	152	77.6 Å²	77.6	66%	0.661	37%	0.372	S	S	*	.			trans	60.5	9	-175.1	-46.8	-50.4	-175.5	-163.8	0	116.1	C483 E484	C483-K487 VanDerWaalsContact O-CA 3.25Å; C483-K487 WeakPolarHBondContact O-CA 3.24Å; C483-K487 PolarHBondContact O-N 2.89Å; E484-K487 PolarHBondContact O-NZ 2.97Å
488	N	92.1	Very high	94.3	Very high	51 Å²	51	75.3 Å²	75.3	27%	0.273	36%	0.359	S	S	.	.			trans	-60.3	143.6	167.4	-174.8	47.6	0	0	0	110.6	G437 C483 C486 N490	G437-N488 PolarHBondContact N-ND2 3.14Å; C483-N488 PolarHBondContact N-O 3.41Å; C486-N488 PolarHBondContact O-N 3.13Å; C486-N488 VanDerWaalsContact O-N 3.11Å; C486-N488 WeakPolarHBondContact SG-CB 3.3Å; N488-N490 PolarHBondContact ND2-N 2.93Å; N488-N490 PolarHBondContact ND2-O 3.43Å
489	K	94.1	Very high	94.3	Very high	118 Å²	118	70 Å²	70	51%	0.513	34%	0.335	S	S	.	.			trans	-88.4	-20.8	179.8	-67.1	-167.7	173.4	-174.6	0	114.1	E480 H481	E480-K489 CarbonylContact C-O 3.57Å; E480-K489 WeakPolarHBondContact CA-O 3.14Å; H481-K489 CarbonylContact C-O 3.52Å; H481-K489 PolarHBondContact N-O 2.95Å; H481-K489 CarbonylContact O-C 3.55Å; H481-K489 VanDerWaalsContact O-O 3.04Å
490	N	95.8	Very high	94.3	Very high	80 Å²	80	68.1 Å²	68.1	43%	0.428	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.8	-172.7	-56.3	3.2	0	0	0	110.2	E436 N488	E436-N490 HydrophobicContact CB-CB 4.39Å; E436-N490 HydrophobicContact CG-CB 4.32Å; E436-N490 PolarHBondContact N-O 3.14Å; E436-N490 WeakPolarHBondContact OE2-CB 3.43Å; N488-N490 PolarHBondContact ND2-N 2.93Å; N488-N490 PolarHBondContact ND2-O 3.43Å
491	S	96.5	Very high	94.4	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.5	172.1	-54.9	0	0	0	0	110.2	V434 I479 H481	V434-S491 CarbonylContact O-C 3.57Å; V434-S491 VanDerWaalsContact O-CA 3.23Å; V434-S491 WeakPolarHBondContact O-CA 3.38Å; V434-S491 WeakPolarHBondContact O-CB 3.31Å; I479-S491 PolarHBondContact N-O 2.62Å; I479-S491 PolarHBondContact O-N 2.72Å; H481-S491 PolarHBondContact ND1-OG 2.82Å; H481-S491 PolarHBondContact O-OG 3.26Å
492	V	96.9	Very high	94.7	Very high	39 Å²	39	57.4 Å²	57.4	24%	0.236	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.6	170.6	179.3	0	0	0	0	108.6	I433 V434 E436 P476 E477 K478	I433-V492 WeakPolarHBondContact CA-O 3.18Å; V434-V492 PolarHBondContact N-O 3.04Å; V434-V492 PolarHBondContact O-N 2.93Å; E436-V492 HydrophobicContact CG-CG2 4.04Å; P476-V492 HydrophobicContact CB-CG1 3.5Å; E477-V492 CarbonylContact O-C 3.52Å; E477-V492 WeakPolarHBondContact O-CA 3.26Å; K478-V492 HydrophobicContact CG-CG2 4.46Å
493	L	96.1	Very high	95	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.7	171.1	172.4	59.5	0	0	0	109.3	S432 I433 P476 E477 I479 Y495	S432-L493 CarbonylContact O-C 3.56Å; S432-L493 WeakPolarHBondContact O-CA 3.39Å; I433-L493 HydrophobicContact CG1-CD1 3.86Å; P476-L493 CarbonylContact C-O 3.46Å; P476-L493 VanDerWaalsContact CA-O 3.3Å; P476-L493 WeakPolarHBondContact CA-O 3.13Å; E477-L493 PolarHBondContact N-O 2.83Å; E477-L493 PolarHBondContact O-N 3.43Å; I479-L493 HydrophobicContact CD1-CB 3.89Å; I479-L493 HydrophobicContact CD1-CD2 4.44Å; I479-L493 HydrophobicContact CG1-CB 4.02Å; I479-L493 HydrophobicContact CG2-CB 3.88Å; I479-L493 HydrophobicContact CG2-CD2 4.15Å; L493-Y495 HydrophobicContact CD1-CE2 4.31Å; L493-Y495 HydrophobicContact CD2-CE2 3.89Å; L493-Y495 HydrophobicContact CG-CE2 4.1Å
494	R	95.3	Very high	95.2	Very high	118 Å²	118	51.9 Å²	51.9	45%	0.445	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.5	170.2	-176	-176.4	177.4	-160.2	-3.1	110.7	S431 S432 P476	S431-R494 WeakPolarHBondContact CA-O 3.31Å; S432-R494 PolarHBondContact N-O 2.9Å; S432-R494 PolarHBondContact O-N 3.38Å; P476-R494 HydrophobicContact CB-CB 4.46Å; P476-R494 HydrophobicContact CG-CG 4.39Å
495	Y	95.8	Very high	95.5	Very high	43 Å²	43	43.6 Å²	43.6	17%	0.169	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	153.9	169.6	-69.1	-78.8	0	0	0	112.2	L429 H430 E446 F473 L493	L429-Y495 HydrophobicContact CB-CD1 4.23Å; L429-Y495 HydrophobicContact CD1-CD1 4.02Å; L429-Y495 HydrophobicContact CD1-CE1 4.41Å; H430-Y495 CarbonylContact O-C 3.54Å; H430-Y495 WeakPolarHBondContact O-CA 3.43Å; E446-Y495 WeakPolarHBondContact OE2-CE1 3.25Å; E446-Y495 PolarHBondContact OE2-OH 3.14Å; F473-Y495 HydrophobicContact CE1-CD2 4.13Å; F473-Y495 HydrophobicContact CE1-CG 4.02Å; F473-Y495 HydrophobicContact CZ-CD2 4.1Å; F473-Y495 HydrophobicContact CZ-CE2 4.33Å; F473-Y495 HydrophobicContact CZ-CG 4.24Å; L493-Y495 HydrophobicContact CD1-CE2 4.31Å; L493-Y495 HydrophobicContact CD2-CE2 3.89Å; L493-Y495 HydrophobicContact CG-CE2 4.1Å
496	T	94.3	Very high	95.8	Very high	29 Å²	29	38.5 Å²	38.5	18%	0.178	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155	170.6	50	0	0	0	0	109.7	H430	H430-T496 WeakPolarHBondContact CB-OG1 3.38Å; H430-T496 PolarHBondContact N-O 3Å; H430-T496 PolarHBondContact O-N 3.34Å; H430-T496 PolarHBondContact O-OG1 3.39Å
497	W	95.1	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.2	177.7	-66.3	113.4	0	0	0	112.7	I427 L429 L451 F474 L500 L504 V534 H537 C538 N539 T542	I427-W497 HydrophobicContact CB-CZ3 4.02Å; I427-W497 HydrophobicContact CD1-CZ3 4.19Å; I427-W497 HydrophobicContact CG2-CZ3 3.96Å; L429-W497 HydrophobicContact CD2-CD2 4.27Å; L429-W497 HydrophobicContact CD2-CE3 3.65Å; L429-W497 HydrophobicContact CD2-CZ3 3.88Å; L451-W497 HydrophobicContact CD1-CH2 3.67Å; L451-W497 HydrophobicContact CD1-CZ2 4.02Å; L451-W497 HydrophobicContact CG-CH2 4.35Å; F474-W497 HydrophobicContact CE1-CD2 4.43Å; F474-W497 AromaticContact CE2-CE2 3.89Å; F474-W497 AromaticContact CE2-CZ2 3.84Å; F474-W497 HydrophobicContact CE2-CZ2 3.84Å; F474-W497 AromaticContact CE2-NE1 3.81Å; F474-W497 AromaticContact CZ-CD2 3.94Å; F474-W497 HydrophobicContact CZ-CD2 3.94Å; F474-W497 AromaticContact CZ-CE2 3.37Å; F474-W497 HydrophobicContact CZ-CG 4.45Å; F474-W497 HydrophobicContact CZ-CH2 4.18Å; F474-W497 AromaticContact CZ-CZ2 3.52Å; F474-W497 HydrophobicContact CZ-CZ2 3.52Å; F474-W497 AromaticContact CZ-NE1 3.52Å; W497-L500 HydrophobicContact CB-CD2 4.28Å; W497-L500 HydrophobicContact CD2-CD2 3.62Å; W497-L500 HydrophobicContact CE3-CD2 3.9Å; W497-L500 HydrophobicContact CG-CD2 3.82Å; W497-L500 HydrophobicContact CZ2-CD2 4.46Å; W497-L500 HydrophobicContact CZ3-CD2 4.42Å; W497-L504 HydrophobicContact CH2-CD1 3.8Å; W497-L504 HydrophobicContact CH2-CD2 4.21Å; W497-L504 HydrophobicContact CZ2-CD2 4.31Å; W497-V534 HydrophobicContact CZ2-CG1 3.93Å; W497-H537 PolarHBondContact N-O 2.97Å; W497-C538 VanDerWaalsContact CD1-SG 3.58Å; W497-N539 PolarHBondContact O-ND2 3.5Å; W497-T542 HydrophobicContact CB-CG2 3.54Å; W497-T542 PolarHBondContact O-OG1 3.46Å
498	R	95.1	Very high	96.2	Very high	69 Å²	69	29.5 Å²	29.5	26%	0.26	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-37.9	172.4	-179	-173.8	142.7	137	-0.7	112.1	E428 H430 T445 K543	E428-R498 HydrophobicContact CB-CB 3.86Å; E428-R498 HydrophobicContact CB-CG 4.03Å; E428-R498 WeakPolarHBondContact O-CA 3.3Å; E428-R498 WeakPolarHBondContact O-CB 3.36Å; E428-R498 PolarHBondContact O-N 3.25Å; E428-R498 IonicContact OE1-NH2 2.72Å; E428-R498 IonicContact OE2-CZ 2.84Å; E428-R498 IonicContact OE2-NE 3.59Å; E428-R498 PolarHBondContact OE2-NE 2.94Å; E428-R498 IonicContact OE2-NH2 2.67Å; E428-R498 PolarHBondContact OE2-NH2 3.48Å; H430-R498 HydrophobicContact CB-CB 4.44Å; H430-R498 WeakPolarHBondContact NE2-CD 3.34Å; T445-R498 PolarHBondContact OG1-NH1 3.48Å; R498-K543 PolarHBondContact O-N 3.42Å
499	R	94.4	Very high	96.4	Very high	32 Å²	32	30.7 Å²	30.7	12%	0.121	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	134.7	163.3	-177.4	-175.3	-66.7	110	5	109.5	E428 K543 F546	E428-R499 HydrophobicContact CB-CB 3.8Å; E428-R499 HydrophobicContact CG-CB 3.91Å; E428-R499 PolarHBondContact N-O 3.16Å; E428-R499 VanDerWaalsContact N-O 3.15Å; E428-R499 PolarHBondContact O-N 3.05Å; E428-R499 IonicContact OE1-CZ 3.94Å; E428-R499 IonicContact OE1-NH1 3.47Å; E428-R499 PolarHBondContact OE1-NH1 2.68Å; E428-R499 IonicContact OE1-NH2 2.65Å; E428-R499 IonicContact OE2-CZ 3.93Å; E428-R499 IonicContact OE2-NH1 2.74Å; R499-K543 WeakPolarHBondContact CA-O 3.44Å; R499-K543 HydrophobicContact CB-CB 4.1Å; R499-K543 HydrophobicContact CG-CB 4.07Å; R499-F546 VanDerWaalsContact CZ-CZ 3.46Å
500	L	95.7	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.			trans	-83	145.3	171.8	-70.9	177.8	0	0	0	112	W497 V534 T542 K543 P545 Y791	W497-L500 HydrophobicContact CB-CD2 4.28Å; W497-L500 HydrophobicContact CD2-CD2 3.62Å; W497-L500 HydrophobicContact CE3-CD2 3.9Å; W497-L500 HydrophobicContact CG-CD2 3.82Å; W497-L500 HydrophobicContact CZ2-CD2 4.46Å; W497-L500 HydrophobicContact CZ3-CD2 4.42Å; L500-V534 HydrophobicContact CD1-CG2 4.2Å; L500-V534 HydrophobicContact CD2-CB 4.32Å; L500-V534 HydrophobicContact CD2-CG2 3.93Å; L500-T542 HydrophobicContact CD1-CG2 4.31Å; L500-T542 HydrophobicContact CG-CG2 3.97Å; L500-K543 PolarHBondContact N-O 2.92Å; L500-P545 HydrophobicContact CB-CG 4Å; L500-P545 VanDerWaalsContact O-CA 3.23Å; L500-P545 WeakPolarHBondContact O-CA 3.41Å; L500-P545 WeakPolarHBondContact O-CG 3.36Å; L500-Y791 WeakPolarHBondContact CB-OH 3.46Å
501	P	96.8	Very high	96.1	Very high	3 Å²	3	23 Å²	23	2%	0.019	10%	0.099	C	C	.	.			trans	-87.1	162.3	176.8	36.6	-34.1	0	0	0	111.4	I427 V503 L504 P545 Y791	I427-P501 HydrophobicContact CG2-CB 3.81Å; I427-P501 HydrophobicContact CG2-CG 3.56Å; P501-V503 VanDerWaalsContact C-N 3.31Å; P501-L504 HydrophobicContact CG-CB 3.8Å; P501-L504 HydrophobicContact CG-CD1 4.13Å; P501-P545 WeakPolarHBondContact O-CG 3.46Å; P501-Y791 HydrophobicContact CG-CE1 4.38Å; P501-Y791 VanDerWaalsContact O-CE1 3.31Å; P501-Y791 WeakPolarHBondContact O-CE1 3.48Å; P501-Y791 PolarHBondContact O-OH 3.04Å
502	R	96.9	Very high	95.8	Very high	3 Å²	3	27 Å²	27	1%	0.011	12%	0.118	C	C	.	.	S	Bend	trans	-68.5	-36.4	170.2	-63.5	-178.9	-172.6	151.4	-0.1	111.3	D320 A423 N424 P545 F546 P547 Q852 I855	D320-R502 IonicContact OD1-NH1 3.72Å; D320-R502 IonicContact OD2-CZ 3.73Å; D320-R502 IonicContact OD2-NH1 3.74Å; D320-R502 PolarHBondContact OD2-NH1 3.1Å; D320-R502 IonicContact OD2-NH2 3.34Å; A423-R502 WeakPolarHBondContact O-CD 3.17Å; A423-R502 WeakPolarHBondContact O-CG 3.28Å; A423-R502 PolarHBondContact O-NE 3.4Å; N424-R502 PolarHBondContact ND2-NH1 2.99Å; N424-R502 PolarHBondContact O-N 2.97Å; N424-R502 WeakPolarHBondContact OD1-CD 3.25Å; N424-R502 PolarHBondContact OD1-NH1 3.05Å; R502-P545 HydrophobicContact CB-CB 4.45Å; R502-P545 HydrophobicContact CG-CB 3.81Å; R502-F546 PolarHBondContact NE-O 2.93Å; R502-P547 PolarHBondContact NH2-O 2.89Å; R502-Q852 PolarHBondContact O-N 3.2Å; R502-I855 HydrophobicContact CB-CD1 3.66Å; R502-I855 HydrophobicContact CG-CD1 3.61Å
503	V	98.3	Very high	95.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	112.1	174.2	178.1	0	0	0	0	108.8	I314 N424 F425 P501 F849 Y850 M851	I314-V503 HydrophobicContact CD1-CG1 4.25Å; I314-V503 HydrophobicContact CD1-CG2 4.28Å; I314-V503 HydrophobicContact CG2-CG2 3.77Å; N424-V503 PolarHBondContact O-N 3.46Å; F425-V503 HydrophobicContact CD1-CB 3.88Å; F425-V503 HydrophobicContact CD1-CG1 4.14Å; F425-V503 HydrophobicContact CE1-CB 3.86Å; F425-V503 HydrophobicContact CE1-CG1 3.95Å; P501-V503 VanDerWaalsContact C-N 3.31Å; V503-F849 HydrophobicContact CG1-CB 4.19Å; V503-F849 HydrophobicContact CG1-CD1 4.25Å; V503-Y850 CarbonylContact C-O 3.46Å; V503-Y850 WeakPolarHBondContact CA-O 3.1Å; V503-Y850 WeakPolarHBondContact CG1-O 3.31Å; V503-M851 HydrophobicContact CG2-CB 4.1Å; V503-M851 HydrophobicContact CG2-CE 3.91Å; V503-M851 HydrophobicContact CG2-CG 4.04Å
504	L	98.4	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.5	172.4	177.7	58.5	0	0	0	109.5	I427 L451 W497 P501 V506 V534 Y791 Y850	I427-L504 HydrophobicContact CG2-CD1 4.36Å; L451-L504 HydrophobicContact CD1-CD1 4.2Å; L451-L504 HydrophobicContact CG-CD1 4.21Å; W497-L504 HydrophobicContact CH2-CD1 3.8Å; W497-L504 HydrophobicContact CH2-CD2 4.21Å; W497-L504 HydrophobicContact CZ2-CD2 4.31Å; P501-L504 HydrophobicContact CG-CB 3.8Å; P501-L504 HydrophobicContact CG-CD1 4.13Å; L504-V506 HydrophobicContact CD2-CG2 4.16Å; L504-V506 HydrophobicContact CG-CG2 3.94Å; L504-V534 HydrophobicContact CD2-CG1 4.32Å; L504-Y791 HydrophobicContact CB-CD1 3.94Å; L504-Y791 HydrophobicContact CB-CE1 3.97Å; L504-Y850 PolarHBondContact N-O 2.93Å; L504-Y850 PolarHBondContact O-N 3.24Å
505	I	98.8	Very high	94.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.9	170.7	-56.8	179.9	0	0	0	108.7	L385 L389 F425 Y450 L451 I847 F848 F849	L385-I505 HydrophobicContact CD2-CD1 4.44Å; L385-I505 HydrophobicContact CD2-CG2 4.11Å; L389-I505 HydrophobicContact CD1-CD1 4.24Å; F425-I505 HydrophobicContact CB-CD1 4.1Å; F425-I505 HydrophobicContact CD1-CD1 3.71Å; F425-I505 HydrophobicContact CD1-CG1 3.99Å; F425-I505 HydrophobicContact CD2-CD1 4.42Å; F425-I505 HydrophobicContact CE1-CD1 4.22Å; F425-I505 HydrophobicContact CG-CD1 3.83Å; F425-I505 HydrophobicContact CG-CG1 4.48Å; Y450-I505 CarbonylContact C-O 3.44Å; Y450-I505 WeakPolarHBondContact CA-O 3.29Å; L451-I505 PolarHBondContact N-O 2.89Å; I505-I847 HydrophobicContact CG2-CG2 3.64Å; I505-F848 WeakPolarHBondContact CA-O 3.3Å; I505-F849 HydrophobicContact CD1-CD1 4.09Å; I505-F849 HydrophobicContact CD1-CE1 3.59Å; I505-F849 HydrophobicContact CD1-CZ 4.39Å; I505-F849 HydrophobicContact CG1-CD1 3.8Å; I505-F849 HydrophobicContact CG1-CE1 3.8Å
506	V	98.6	Very high	94.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.5	175.4	-174.9	0	0	0	0	109.4	L451 V453 I466 L504 L532 I847 F848 Y850	L451-V506 WeakPolarHBondContact O-CA 3.44Å; V453-V506 HydrophobicContact CG1-CG1 4.29Å; V453-V506 HydrophobicContact CG2-CG1 3.61Å; I466-V506 HydrophobicContact CD1-CB 4.42Å; I466-V506 HydrophobicContact CD1-CG1 4.17Å; I466-V506 HydrophobicContact CG1-CG1 4.32Å; L504-V506 HydrophobicContact CD2-CG2 4.16Å; L504-V506 HydrophobicContact CG-CG2 3.94Å; V506-L532 HydrophobicContact CG2-CD1 4.23Å; V506-I847 CarbonylContact O-C 3.54Å; V506-I847 WeakPolarHBondContact O-CA 3.25Å; V506-F848 HydrophobicContact CB-CB 4.5Å; V506-F848 PolarHBondContact N-O 3.33Å; V506-F848 PolarHBondContact O-N 2.78Å; V506-Y850 HydrophobicContact CG2-CD2 4.41Å
507	H	98.4	Very high	94	Very high	14 Å²	14	44.4 Å²	44.4	7%	0.065	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.8	173.2	155.8	-135.4	0	0	0	109.2	H382 L451 S452 V453 Y846 I847	H382-H507 VanDerWaalsContact CD2-CB 3.49Å; H382-H507 WeakPolarHBondContact CD2-CB 3.27Å; H382-H507 AromaticContact CD2-CE1 3.95Å; H382-H507 AromaticContact CD2-CG 3.37Å; H382-H507 AromaticContact CD2-ND1 3.2Å; H382-H507 PolarHBondContact CD2-ND1 2.98Å; H382-H507 AromaticContact CE1-CE1 3.91Å; H382-H507 AromaticContact CE1-ND1 3.48Å; H382-H507 PolarHBondContact CE1-ND1 2.89Å; H382-H507 AromaticContact CG-CE1 3.78Å; H382-H507 AromaticContact CG-CG 3.8Å; H382-H507 AromaticContact CG-ND1 3.49Å; H382-H507 AromaticContact ND1-CE1 3.75Å; H382-H507 AromaticContact ND1-ND1 3.66Å; H382-H507 AromaticContact NE2-CE1 3.99Å; H382-H507 AromaticContact NE2-CG 3.76Å; H382-H507 AromaticContact NE2-ND1 3.15Å; H382-H507 PolarHBondContact NE2-ND1 3.33Å; H382-H507 VanDerWaalsContact NE2-ND1 3.15Å; L451-H507 PolarHBondContact O-N 3.38Å; S452-H507 CarbonylContact C-O 3.53Å; S452-H507 WeakPolarHBondContact CA-O 3.42Å; S452-H507 PolarHBondContact OG-ND1 2.75Å; V453-H507 PolarHBondContact N-O 3.42Å; H507-Y846 AromaticContact CD2-CD2 3.98Å; H507-Y846 AromaticContact CD2-CE2 3.34Å; H507-Y846 WeakPolarHBondContact CD2-CE2 3.37Å; H507-Y846 AromaticContact CD2-CZ 3.58Å; H507-Y846 AromaticContact NE2-CE2 3.19Å; H507-Y846 WeakPolarHBondContact NE2-CE2 3.38Å; H507-Y846 AromaticContact NE2-CZ 3.31Å; H507-Y846 VanDerWaalsContact NE2-CZ 3.31Å; H507-Y846 PolarHBondContact NE2-OH 3.02Å; H507-I847 HydrophobicContact CB-CG1 4.46Å
508	L	96.9	Very high	93.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117.8	173.2	-66.7	-178.4	0	0	0	109.9	V453 L455 I466 R510 V526 Y846 F848	V453-L508 HydrophobicContact CG2-CD2 3.71Å; L455-L508 HydrophobicContact CD2-CB 4.35Å; I466-L508 HydrophobicContact CG1-CD2 4.37Å; L508-R510 HydrophobicContact CB-CG 4.3Å; L508-R510 PolarHBondContact O-N 3.44Å; L508-V526 HydrophobicContact CD1-CB 3.96Å; L508-V526 HydrophobicContact CD1-CG1 3.85Å; L508-V526 HydrophobicContact CD1-CG2 4.09Å; L508-Y846 PolarHBondContact N-O 2.88Å; L508-Y846 WeakPolarHBondContact O-CD2 3.45Å; L508-Y846 VanDerWaalsContact O-CE2 3.3Å; L508-Y846 WeakPolarHBondContact O-CE2 3.36Å; L508-F848 HydrophobicContact CD1-CE2 3.5Å; L508-F848 VanDerWaalsContact CD1-CE2 3.5Å; L508-F848 HydrophobicContact CD1-CZ 3.88Å; L508-F848 HydrophobicContact CG-CD2 4.3Å; L508-F848 HydrophobicContact CG-CE2 3.67Å
509	K	95.8	Very high	93.1	Very high	77 Å²	77	49.5 Å²	49.5	34%	0.335	25%	0.245	S	C	.	.			trans	-67.3	73.1	174.7	-70.6	-177.6	-106.2	160.9	0	111.9	S452 V453 D454	S452-K509 WeakPolarHBondContact O-CE 3.5Å; V453-K509 WeakPolarHBondContact O-CB 3.29Å; V453-K509 PolarHBondContact O-N 3.09Å; D454-K509 VanDerWaalsContact OD1-CE 3.27Å; D454-K509 WeakPolarHBondContact OD1-CE 3.37Å; D454-K509 IonicContact OD1-NZ 2.73Å; D454-K509 PolarHBondContact OD1-NZ 2.9Å; D454-K509 IonicContact OD2-NZ 3.85Å; D454-K509 PolarHBondContact OD2-NZ 2.92Å
510	R	93.9	Very high	92.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.			trans	-73.1	-33.6	179.6	-73.1	-173.3	-178.6	-84.1	3.4	112.8	L455 L508 K521 S522 Q524 L842 H843 G845 Y846	L455-R510 HydrophobicContact CD2-CG 4.13Å; L508-R510 HydrophobicContact CB-CG 4.3Å; L508-R510 PolarHBondContact O-N 3.44Å; R510-K521 HydrophobicContact CB-CG 4.25Å; R510-S522 WeakPolarHBondContact O-CB 3.31Å; R510-S522 PolarHBondContact O-N 3.18Å; R510-Q524 PolarHBondContact NH1-O 2.78Å; R510-L842 PolarHBondContact NH2-O 3.06Å; R510-H843 VanDerWaalsContact CZ-O 3.25Å; R510-H843 PolarHBondContact NH1-O 3.48Å; R510-H843 VanDerWaalsContact NH1-O 3.13Å; R510-G845 VanDerWaalsContact CZ-O 3.31Å; R510-G845 PolarHBondContact NE-O 3.4Å; R510-G845 PolarHBondContact NH2-O 3.17Å; R510-Y846 HydrophobicContact CB-CD2 4.48Å; R510-Y846 HydrophobicContact CG-CD2 4.46Å
511	Y	91.3	Very high	92.6	Very high	36 Å²	36	51.1 Å²	51.1	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.4	179	-53.6	-74.8	0	0	0	111.5	D380 L519 V520 K521 H799 Q804 Y846	D380-Y511 WeakPolarHBondContact OD2-CE2 3.39Å; Y511-L519 HydrophobicContact CD1-CD2 4.47Å; Y511-L519 HydrophobicContact CG-CD2 4.45Å; Y511-V520 WeakPolarHBondContact CA-O 3.46Å; Y511-K521 HydrophobicContact CD1-CB 3.7Å; Y511-K521 HydrophobicContact CD1-CG 3.99Å; Y511-K521 HydrophobicContact CE1-CB 3.7Å; Y511-K521 HydrophobicContact CE1-CD 3.78Å; Y511-K521 HydrophobicContact CE1-CG 3.74Å; Y511-H799 PolarHBondContact OH-CE1 3.49Å; Y511-H799 PolarHBondContact OH-ND1 3.12Å; Y511-Q804 HydrophobicContact CE1-CB 4.2Å; Y511-Y846 HydrophobicContact CD2-CE2 4.22Å; Y511-Y846 HydrophobicContact CE2-CE1 4.32Å; Y511-Y846 AromaticContact CE2-CE2 3.95Å; Y511-Y846 HydrophobicContact CE2-CE2 3.95Å; Y511-Y846 AromaticContact CE2-CZ 3.71Å
512	H	88.8	Confident	92.4	Very high	86 Å²	86	52 Å²	52	40%	0.398	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	150.9	177.4	62.1	-76.1	0	0	0	110.9	L519 V520	H512-L519 WeakPolarHBondContact O-CA 3.46Å; H512-V520 PolarHBondContact CE1-O 3.2Å; H512-V520 PolarHBondContact N-O 2.85Å; H512-V520 PolarHBondContact ND1-O 3.42Å; H512-V520 VanDerWaalsContact ND1-O 3.1Å; H512-V520 PolarHBondContact O-N 3.46Å
513	F	88.3	Confident	92	Very high	119 Å²	119	56.4 Å²	56.4	52%	0.522	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.5	174.1	-71.6	-75.9	0	0	0	110.4	L519	F513-L519 HydrophobicContact CD1-CB 4.22Å; F513-L519 HydrophobicContact CD1-CD1 4.06Å; F513-L519 HydrophobicContact CD2-CD1 4.13Å; F513-L519 HydrophobicContact CE1-CB 4Å; F513-L519 HydrophobicContact CE1-CD1 3.9Å; F513-L519 HydrophobicContact CE2-CD1 3.96Å; F513-L519 HydrophobicContact CG-CD1 4.18Å; F513-L519 HydrophobicContact CZ-CD1 3.85Å
514	T	86.8	Confident	91.7	Very high	43 Å²	43	58.9 Å²	58.9	26%	0.264	30%	0.296	S	S	.	.			trans	-69.4	164.2	166.4	59.5	0	0	0	0	111.1	N516 R517 M518 V520	T514-N516 PolarHBondContact O-N 3.48Å; T514-R517 WeakPolarHBondContact O-CA 3.38Å; T514-R517 PolarHBondContact O-N 3.41Å; T514-M518 PolarHBondContact N-O 3.48Å; T514-M518 PolarHBondContact OG1-N 3.11Å; T514-M518 PolarHBondContact OG1-O 3.42Å; T514-V520 HydrophobicContact CG2-CB 4.12Å; T514-V520 HydrophobicContact CG2-CG2 3.58Å
515	A	89.7	Confident	91.5	Very high	107 Å²	107	61.6 Å²	61.6	88%	0.884	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-25.3	174.6	0	0	0	0	0	113.7	R517	A515-R517 PolarHBondContact O-N 3.29Å
516	N	89.4	Confident	91.3	Very high	133 Å²	133	61.6 Å²	61.6	71%	0.711	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	6	176.4	-60.9	-8.6	0	0	0	113.4	T514 M518	T514-N516 PolarHBondContact O-N 3.48Å; N516-M518 HydrophobicContact CB-CG 4.34Å; N516-M518 PolarHBondContact O-N 3.13Å; N516-M518 VanDerWaalsContact O-N 3.15Å
517	R	87.1	Confident	91.2	Very high	211 Å²	211	65.9 Å²	65.9	80%	0.796	33%	0.334	S	S	*	.	S	Bend	trans	58	15.2	-170.1	-57.3	-176.4	177.8	-170.2	-2.4	114.8	T514 A515	T514-R517 WeakPolarHBondContact O-CA 3.38Å; T514-R517 PolarHBondContact O-N 3.41Å; A515-R517 PolarHBondContact O-N 3.29Å
518	M	83.9	Confident	91	Very high	122 Å²	122	65.2 Å²	65.2	60%	0.601	33%	0.331	S	S	*	.			trans	-80.3	127.9	168.2	-62.6	-178.5	68.2	0	0	109.1	T514 N516	T514-M518 PolarHBondContact N-O 3.48Å; T514-M518 PolarHBondContact OG1-N 3.11Å; T514-M518 PolarHBondContact OG1-O 3.42Å; N516-M518 HydrophobicContact CB-CG 4.34Å; N516-M518 PolarHBondContact O-N 3.13Å; N516-M518 VanDerWaalsContact O-N 3.15Å
519	L	86.3	Confident	90.9	Very high	53 Å²	53	66.1 Å²	66.1	28%	0.277	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.6	169.4	-167	74.4	0	0	0	109.2	Y511 H512 F513 Q804	Y511-L519 HydrophobicContact CD1-CD2 4.47Å; Y511-L519 HydrophobicContact CG-CD2 4.45Å; H512-L519 WeakPolarHBondContact O-CA 3.46Å; F513-L519 HydrophobicContact CD1-CB 4.22Å; F513-L519 HydrophobicContact CD1-CD1 4.06Å; F513-L519 HydrophobicContact CD2-CD1 4.13Å; F513-L519 HydrophobicContact CE1-CB 4Å; F513-L519 HydrophobicContact CE1-CD1 3.9Å; F513-L519 HydrophobicContact CE2-CD1 3.96Å; F513-L519 HydrophobicContact CG-CD1 4.18Å; F513-L519 HydrophobicContact CZ-CD1 3.85Å; L519-Q804 HydrophobicContact CD2-CG 4.45Å
520	V	88.5	Confident	90.8	Very high	59 Å²	59	64.6 Å²	64.6	36%	0.358	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.6	179.9	176.4	0	0	0	0	109.5	Y511 H512 T514	Y511-V520 WeakPolarHBondContact CA-O 3.46Å; H512-V520 PolarHBondContact CE1-O 3.2Å; H512-V520 PolarHBondContact N-O 2.85Å; H512-V520 PolarHBondContact ND1-O 3.42Å; H512-V520 VanDerWaalsContact ND1-O 3.1Å; H512-V520 PolarHBondContact O-N 3.46Å; T514-V520 HydrophobicContact CG2-CB 4.12Å; T514-V520 HydrophobicContact CG2-CG2 3.58Å
521	K	92	Very high	90.8	Very high	7 Å²	7	65.7 Å²	65.7	3%	0.03	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.9	173.5	-169.9	178.1	172.6	-175.8	0	110.4	R510 Y511 Q523 H799 G801 S802	R510-K521 HydrophobicContact CB-CG 4.25Å; Y511-K521 HydrophobicContact CD1-CB 3.7Å; Y511-K521 HydrophobicContact CD1-CG 3.99Å; Y511-K521 HydrophobicContact CE1-CB 3.7Å; Y511-K521 HydrophobicContact CE1-CD 3.78Å; Y511-K521 HydrophobicContact CE1-CG 3.74Å; K521-Q523 PolarHBondContact O-N 3.2Å; K521-H799 VanDerWaalsContact NZ-CG 3.3Å; K521-H799 PolarHBondContact NZ-ND1 3.13Å; K521-H799 VanDerWaalsContact NZ-ND1 3.17Å; K521-H799 PolarHBondContact NZ-O 3.47Å; K521-G801 VanDerWaalsContact CD-O 3.31Å; K521-G801 WeakPolarHBondContact CD-O 3.4Å; K521-G801 PolarHBondContact NZ-O 3.42Å; K521-S802 WeakPolarHBondContact CB-O 3.37Å
522	S	91.5	Very high	91	Very high	23 Å²	23	64 Å²	64	16%	0.161	33%	0.328	C	S	.	.			trans	-70.4	122.8	173.2	-177.1	0	0	0	0	110.9	L455 R510 Q524	L455-S522 WeakPolarHBondContact CD1-OG 3.37Å; R510-S522 WeakPolarHBondContact O-CB 3.31Å; R510-S522 PolarHBondContact O-N 3.18Å; S522-Q524 PolarHBondContact O-N 3.2Å; S522-Q524 WeakPolarHBondContact OG-CB 3.42Å; S522-Q524 PolarHBondContact OG-N 2.72Å
523	Q	89.6	Confident	91.2	Very high	94 Å²	94	61.3 Å²	61.3	44%	0.439	32%	0.318	S	S	.	.			trans	-88.5	20	173.3	-56.3	-62.7	-20.5	0	0	111.9	K521 H843	K521-Q523 PolarHBondContact O-N 3.2Å; Q523-H843 PolarHBondContact O-ND1 2.95Å
524	Q	91.7	Very high	91.5	Very high	52 Å²	52	55.7 Å²	55.7	24%	0.243	29%	0.294	C	S	.	.			trans	-61.9	128.4	175.1	178.7	177.5	-29.9	0	0	110.1	L455 P456 L464 R510 S522	L455-Q524 HydrophobicContact CD1-CB 4.41Å; P456-Q524 PolarHBondContact O-NE2 3.29Å; L464-Q524 HydrophobicContact CD1-CG 4.45Å; R510-Q524 PolarHBondContact NH1-O 2.78Å; S522-Q524 PolarHBondContact O-N 3.2Å; S522-Q524 WeakPolarHBondContact OG-CB 3.42Å; S522-Q524 PolarHBondContact OG-N 2.72Å
525	P	93.9	Very high	91.6	Very high	57 Å²	57	55.4 Å²	55.4	37%	0.37	30%	0.296	S	S	.	.			trans	-66.2	135	170.4	27.5	-31.8	0	0	0	109.6	L842	P525-L842 WeakPolarHBondContact CA-O 3.32Å; P525-L842 HydrophobicContact CB-CB 4.04Å
526	V	95.2	Very high	91.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	28%	0.279	C	S	.	.			trans	-124.9	119.8	172.1	179.8	0	0	0	0	108.6	L455 P456 L464 I466 L508 I528 L842	L455-V526 HydrophobicContact CD2-CG2 3.75Å; P456-V526 HydrophobicContact CG-CG1 4.35Å; P456-V526 HydrophobicContact CG-CG2 4.15Å; L464-V526 CarbonylContact O-C 3.58Å; L464-V526 WeakPolarHBondContact O-CA 3.5Å; I466-V526 HydrophobicContact CB-CG1 4.19Å; L508-V526 HydrophobicContact CD1-CB 3.96Å; L508-V526 HydrophobicContact CD1-CG1 3.85Å; L508-V526 HydrophobicContact CD1-CG2 4.09Å; V526-I528 PolarHBondContact O-N 2.77Å; V526-L842 PolarHBondContact N-O 2.65Å; V526-L842 VanDerWaalsContact O-CD2 3.31Å; V526-L842 WeakPolarHBondContact O-CD2 3.2Å
527	E	95.5	Very high	91.6	Very high	89 Å²	89	48.6 Å²	48.6	42%	0.416	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-67.1	130.3	-179.4	-170.8	-161.5	116.6	0	0	110.9	P463 L464 S465 I466 S529 L842	P463-E527 WeakPolarHBondContact CB-OE2 3.33Å; L464-E527 PolarHBondContact O-N 3.48Å; S465-E527 WeakPolarHBondContact CA-O 3.04Å; I466-E527 WeakPolarHBondContact CG2-O 3.45Å; I466-E527 PolarHBondContact N-O 2.96Å; E527-S529 PolarHBondContact O-N 2.94Å; E527-L842 HydrophobicContact CB-CD2 4.45Å
528	I	95	Very high	91.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.221	C	C	.	.			trans	-96.1	92.8	-175.2	-52.1	173.7	0	0	0	108.4	V526 K530 L793 Q838 R841 F848	V526-I528 PolarHBondContact O-N 2.77Å; I528-K530 PolarHBondContact O-N 2.78Å; I528-L793 HydrophobicContact CG2-CD1 4.28Å; I528-L793 HydrophobicContact CG2-CD2 3.76Å; I528-Q838 HydrophobicContact CB-CG 4.48Å; I528-Q838 PolarHBondContact O-NE2 2.86Å; I528-R841 HydrophobicContact CD1-CB 3.53Å; I528-F848 HydrophobicContact CB-CE1 4.44Å; I528-F848 HydrophobicContact CD1-CE1 3.8Å; I528-F848 HydrophobicContact CD1-CZ 4.46Å; I528-F848 HydrophobicContact CG1-CE1 3.77Å; I528-F848 HydrophobicContact CG1-CZ 4.4Å; I528-F848 HydrophobicContact CG2-CD1 4.08Å; I528-F848 HydrophobicContact CG2-CE1 3.89Å
529	S	94.4	Very high	92	Very high	18 Å²	18	37.2 Å²	37.2	13%	0.126	21%	0.209	C	C	.	.			trans	-63.6	128.6	179.1	-50.3	0	0	0	0	110.7	E527 Y531 Y850	E527-S529 PolarHBondContact O-N 2.94Å; S529-Y531 VanDerWaalsContact CB-O 3.24Å; S529-Y531 WeakPolarHBondContact CB-O 3.14Å; S529-Y531 PolarHBondContact O-N 3.16Å; S529-Y850 WeakPolarHBondContact O-CE1 3.37Å; S529-Y850 PolarHBondContact O-OH 2.81Å; S529-Y850 VanDerWaalsContact O-OH 3.13Å
530	K	93.7	Very high	92.1	Very high	46 Å²	46	44.2 Å²	44.2	20%	0.2	24%	0.24	C	C	.	.	S	Bend	trans	-57.9	-37.5	177.1	179.4	-174.8	-178.9	106.8	0	112	I528 L793 E834	I528-K530 PolarHBondContact O-N 2.78Å; K530-L793 PolarHBondContact O-N 3.13Å; K530-E834 WeakPolarHBondContact CE-OE1 3.44Å; K530-E834 IonicContact NZ-OE1 2.66Å; K530-E834 PolarHBondContact NZ-OE1 3.5Å; K530-E834 IonicContact NZ-OE2 3.78Å
531	Y	95.1	Very high	92.1	Very high	22 Å²	22	47.4 Å²	47.4	9%	0.086	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.2	174.7	-58.9	-74.9	0	0	0	110.7	S529 N781 M784 A785 Y791 R792	S529-Y531 VanDerWaalsContact CB-O 3.24Å; S529-Y531 WeakPolarHBondContact CB-O 3.14Å; S529-Y531 PolarHBondContact O-N 3.16Å; Y531-N781 HydrophobicContact CE2-CB 4.32Å; Y531-N781 WeakPolarHBondContact CE2-O 3.4Å; Y531-M784 HydrophobicContact CD2-CB 3.93Å; Y531-M784 HydrophobicContact CG-CB 4.23Å; Y531-A785 HydrophobicContact CE1-CB 4.21Å; Y531-A785 HydrophobicContact CE2-CB 4.18Å; Y531-A785 WeakPolarHBondContact OH-CB 3.36Å; Y531-Y791 CarbonylContact C-O 3.49Å; Y531-Y791 WeakPolarHBondContact CA-O 3.2Å; Y531-R792 HydrophobicContact CD1-CB 3.94Å; Y531-R792 HydrophobicContact CD1-CG 4.09Å; Y531-R792 HydrophobicContact CE1-CB 3.86Å; Y531-R792 HydrophobicContact CE1-CG 3.71Å
532	L	95.1	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.5	165.7	-80.5	179.8	0	0	0	110	I466 Q467 L470 V506 N790 Y791 Y850	I466-L532 HydrophobicContact CG2-CD2 4.24Å; Q467-L532 HydrophobicContact CB-CD2 3.84Å; L470-L532 HydrophobicContact CD2-CB 4.49Å; L470-L532 HydrophobicContact CD2-CD1 4.27Å; L470-L532 HydrophobicContact CD2-CD2 4.17Å; V506-L532 HydrophobicContact CG2-CD1 4.23Å; L532-N790 WeakPolarHBondContact O-CA 3.43Å; L532-Y791 PolarHBondContact N-O 3.08Å; L532-Y791 PolarHBondContact O-N 3.01Å; L532-Y850 HydrophobicContact CB-CD1 4.19Å; L532-Y850 HydrophobicContact CB-CE1 4.29Å; L532-Y850 HydrophobicContact CD1-CD1 3.82Å; L532-Y850 HydrophobicContact CD1-CD2 3.49Å; L532-Y850 VanDerWaalsContact CD1-CD2 3.49Å; L532-Y850 HydrophobicContact CD1-CE1 3.77Å; L532-Y850 HydrophobicContact CD1-CE2 3.38Å; L532-Y850 HydrophobicContact CD1-CG 3.69Å; L532-Y850 HydrophobicContact CG-CD1 3.88Å; L532-Y850 HydrophobicContact CG-CD2 4.39Å; L532-Y850 HydrophobicContact CG-CE1 3.59Å; L532-Y850 HydrophobicContact CG-CE2 4.1Å; L532-Y850 HydrophobicContact CG-CG 4.28Å
533	T	93.4	Very high	92.3	Very high	31 Å²	31	51.1 Å²	51.1	19%	0.19	27%	0.27	C	S	.	.			trans	-98.1	128	174.7	67.8	0	0	0	0	110.1	Q467 M784 N790	Q467-T533 VanDerWaalsContact CD-OG1 3.32Å; Q467-T533 PolarHBondContact NE2-O 2.81Å; Q467-T533 PolarHBondContact NE2-OG1 3.02Å; Q467-T533 PolarHBondContact OE1-O 3.02Å; Q467-T533 PolarHBondContact OE1-OG1 2.93Å; Q467-T533 VanDerWaalsContact OE1-OG1 3.13Å; T533-M784 HydrophobicContact CG2-CE 3.67Å; T533-M784 HydrophobicContact CG2-SD 3.5Å; T533-M784 WeakPolarHBondContact CG2-SD 3.46Å; T533-N790 WeakPolarHBondContact CA-OD1 3.31Å; T533-N790 WeakPolarHBondContact CG2-OD1 3.3Å
534	V	93.1	Very high	92.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.			trans	-114.5	-17.8	176.2	-65.6	0	0	0	0	113.3	L470 W497 L500 L504 S536 H537 C538 Q789 Y791	L470-V534 HydrophobicContact CD2-CG1 4.26Å; W497-V534 HydrophobicContact CZ2-CG1 3.93Å; L500-V534 HydrophobicContact CD1-CG2 4.2Å; L500-V534 HydrophobicContact CD2-CB 4.32Å; L500-V534 HydrophobicContact CD2-CG2 3.93Å; L504-V534 HydrophobicContact CD2-CG1 4.32Å; V534-S536 PolarHBondContact O-N 3.39Å; V534-S536 VanDerWaalsContact O-N 3.16Å; V534-H537 PolarHBondContact O-N 3.02Å; V534-C538 PolarHBondContact O-N 2.96Å; V534-C538 PolarHBondContact O-SG 2.83Å; V534-C538 VanDerWaalsContact O-SG 3.33Å; V534-Q789 VanDerWaalsContact CG2-O 3.28Å; V534-Q789 WeakPolarHBondContact CG2-O 3.14Å; V534-Y791 HydrophobicContact CG1-CD2 4.21Å; V534-Y791 HydrophobicContact CG1-CE2 4.31Å; V534-Y791 HydrophobicContact CG2-CD2 4.05Å; V534-Y791 HydrophobicContact CG2-CE2 3.77Å
535	A	88.8	Confident	92.4	Very high	37 Å²	37	49 Å²	49	31%	0.306	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-58.6	-31.2	-171.9	0	0	0	0	0	113.9	H537 C538	A535-H537 PolarHBondContact O-N 2.96Å; A535-C538 PolarHBondContact O-N 2.94Å
536	S	89.3	Confident	92	Very high	76 Å²	76	50.1 Å²	50.1	53%	0.531	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-59.6	-23.4	173	45.9	0	0	0	0	114.2	V534	V534-S536 PolarHBondContact O-N 3.39Å; V534-S536 VanDerWaalsContact O-N 3.16Å
537	H	91.2	Very high	91.4	Very high	22 Å²	22	54.8 Å²	54.8	10%	0.102	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-110.3	-0.4	-177.9	-51	-58.9	0	0	0	112.8	D471 F474 W497 V534 A535	D471-H537 IonicContact OD1-CD2 3.64Å; D471-H537 IonicContact OD1-CE1 3.36Å; D471-H537 IonicContact OD1-NE2 3.7Å; D471-H537 PolarHBondContact OD1-NE2 2.93Å; F474-H537 HydrophobicContact CB-CB 4.23Å; F474-H537 VanDerWaalsContact CB-ND1 3.28Å; F474-H537 WeakPolarHBondContact CB-ND1 3.35Å; F474-H537 HydrophobicContact CD1-CB 3.97Å; F474-H537 HydrophobicContact CD2-CB 3.87Å; F474-H537 AromaticContact CD2-CD2 3.54Å; F474-H537 AromaticContact CD2-CG 3.49Å; F474-H537 VanDerWaalsContact CD2-CG 3.49Å; F474-H537 AromaticContact CD2-ND1 3.98Å; F474-H537 HydrophobicContact CE1-CB 4.34Å; F474-H537 HydrophobicContact CE2-CB 4.25Å; F474-H537 HydrophobicContact CG-CB 3.74Å; F474-H537 AromaticContact CG-CG 3.55Å; F474-H537 AromaticContact CG-ND1 3.73Å; F474-H537 HydrophobicContact CZ-CB 4.48Å; W497-H537 PolarHBondContact N-O 2.97Å; V534-H537 PolarHBondContact O-N 3.02Å; A535-H537 PolarHBondContact O-N 2.96Å
538	C	91.3	Very high	90.7	Very high	28 Å²	28	51.9 Å²	51.9	19%	0.189	28%	0.279	C	S	.	.			trans	-83.8	171.2	174.5	-65.9	0	0	0	0	111.8	W497 V534 A535 T542	W497-C538 VanDerWaalsContact CD1-SG 3.58Å; V534-C538 PolarHBondContact O-N 2.96Å; V534-C538 PolarHBondContact O-SG 2.83Å; V534-C538 VanDerWaalsContact O-SG 3.33Å; A535-C538 PolarHBondContact O-N 2.94Å; C538-T542 HydrophobicContact CB-CG2 4.25Å
539	N	88.1	Confident	89.3	Confident	65 Å²	65	54.9 Å²	54.9	35%	0.348	30%	0.297	S	S	.	.			trans	-147.3	174.6	171.8	65.4	86	0	0	0	110.4	W497 N541 T542	W497-N539 PolarHBondContact O-ND2 3.5Å; N539-N541 PolarHBondContact O-N 3.38Å; N539-N541 WeakPolarHBondContact OD1-CA 3.44Å; N539-N541 WeakPolarHBondContact OD1-CB 3.3Å; N539-N541 PolarHBondContact OD1-N 2.81Å; N539-N541 PolarHBondContact OD1-ND2 2.92Å; N539-T542 PolarHBondContact N-OG1 2.9Å; N539-T542 PolarHBondContact ND2-OG1 3.21Å; N539-T542 WeakPolarHBondContact O-CB 3.49Å; N539-T542 PolarHBondContact O-N 3.44Å; N539-T542 PolarHBondContact O-OG1 3.46Å
540	E	87.8	Confident	87.2	Confident	201 Å²	201	57.9 Å²	57.9	94%	0.939	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.4	-178.3	-61.7	177.6	-177.2	0	0	114.7
541	N	89.4	Confident	84.8	Confident	126 Å²	126	64.7 Å²	64.7	67%	0.674	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	0.3	178.5	-52.7	-86.2	0	0	0	113.3	N539 K543	N539-N541 PolarHBondContact O-N 3.38Å; N539-N541 WeakPolarHBondContact OD1-CA 3.44Å; N539-N541 WeakPolarHBondContact OD1-CB 3.3Å; N539-N541 PolarHBondContact OD1-N 2.81Å; N539-N541 PolarHBondContact OD1-ND2 2.92Å; N541-K543 PolarHBondContact O-N 3.3Å
542	T	93.4	Very high	82	Confident	18 Å²	18	70.4 Å²	70.4	11%	0.11	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-66.3	119.1	176.4	-59.3	0	0	0	0	109.7	W497 L500 C538 N539	W497-T542 HydrophobicContact CB-CG2 3.54Å; W497-T542 PolarHBondContact O-OG1 3.46Å; L500-T542 HydrophobicContact CD1-CG2 4.31Å; L500-T542 HydrophobicContact CG-CG2 3.97Å; C538-T542 HydrophobicContact CB-CG2 4.25Å; N539-T542 PolarHBondContact N-OG1 2.9Å; N539-T542 PolarHBondContact ND2-OG1 3.21Å; N539-T542 WeakPolarHBondContact O-CB 3.49Å; N539-T542 PolarHBondContact O-N 3.44Å; N539-T542 PolarHBondContact O-OG1 3.46Å
543	K	93.7	Very high	78.8	Confident	90 Å²	90	75.2 Å²	75.2	39%	0.391	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-78.9	135.9	178.3	-61.5	168.6	-168	162.1	0	110.3	E428 R498 R499 L500 N541	E428-K543 IonicContact OE2-NZ 2.93Å; R498-K543 PolarHBondContact O-N 3.42Å; R499-K543 WeakPolarHBondContact CA-O 3.44Å; R499-K543 HydrophobicContact CB-CB 4.1Å; R499-K543 HydrophobicContact CG-CB 4.07Å; L500-K543 PolarHBondContact N-O 2.92Å; N541-K543 PolarHBondContact O-N 3.3Å
544	Q	92	Very high	75.9	Confident	86 Å²	86	82.1 Å²	82.1	40%	0.402	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-63.3	164	166.4	-63.6	-57.1	-29.3	0	0	111.2
545	P	90.4	Very high	72.8	Confident	14 Å²	14	84.9 Å²	84.9	9%	0.091	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-58.7	163	178.6	-27.2	38.9	0	0	0	114	L500 P501 R502 Q852	L500-P545 HydrophobicContact CB-CG 4Å; L500-P545 VanDerWaalsContact O-CA 3.23Å; L500-P545 WeakPolarHBondContact O-CA 3.41Å; L500-P545 WeakPolarHBondContact O-CG 3.36Å; P501-P545 WeakPolarHBondContact O-CG 3.46Å; R502-P545 HydrophobicContact CB-CB 4.45Å; R502-P545 HydrophobicContact CG-CB 3.81Å; P545-Q852 VanDerWaalsContact CG-OE1 3.27Å
546	F	85.9	Confident	69.9	Low	81 Å²	81	90.9 Å²	90.9	36%	0.355	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-61.4	128.5	173	-70.1	-71.6	0	0	0	109.8	A422 R499 R502	A422-F546 WeakPolarHBondContact O-CD2 3.37Å; A422-F546 WeakPolarHBondContact O-CE2 3.4Å; R499-F546 VanDerWaalsContact CZ-CZ 3.46Å; R502-F546 PolarHBondContact NE-O 2.93Å
547	P	82.7	Confident	67.5	Low	99 Å²	99	94.9 Å²	94.9	64%	0.643	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-59.2	145.4	-175.9	24.2	-34.3	0	0	0	111	R502 T549	R502-P547 PolarHBondContact NH2-O 2.89Å; P547-T549 PolarHBondContact O-N 2.84Å; P547-T549 VanDerWaalsContact O-N 3.17Å
548	V	80.8	Confident	65	Low	28 Å²	28	101.5 Å²	101.5	17%	0.17	54%	0.541	C	S	.	.			trans	-75.4	105	174.6	-177.6	0	0	0	0	108.2	T316 T550 I855 W858	T316-V548 HydrophobicContact CG2-CG1 4.23Å; T316-V548 HydrophobicContact CG2-CG2 3.95Å; V548-T550 PolarHBondContact O-N 2.83Å; V548-I855 HydrophobicContact CG2-CD1 4.29Å; V548-I855 HydrophobicContact CG2-CG2 4.24Å; V548-W858 HydrophobicContact CB-CH2 4.49Å; V548-W858 HydrophobicContact CB-CZ3 4.4Å; V548-W858 HydrophobicContact CG1-CH2 3.68Å; V548-W858 HydrophobicContact CG1-CZ3 3.75Å
549	T	65.5	Low	62.8	Low	64 Å²	64	103.3 Å²	103.3	39%	0.393	55%	0.551	S	S	.	*			trans	-72.3	99	-175.5	44.3	0	0	0	0	111.5	K319 P547 R551	K319-T549 PolarHBondContact NZ-O 3.01Å; P547-T549 PolarHBondContact O-N 2.84Å; P547-T549 VanDerWaalsContact O-N 3.17Å; T549-R551 PolarHBondContact O-N 2.82Å
550	T	50.7	Low	60.7	Low	81 Å²	81	101.7 Å²	101.7	50%	0.497	54%	0.544	S	S	.	.			trans	-80.6	92.1	155.9	45.5	0	0	0	0	109	V548 N552 W858	V548-T550 PolarHBondContact O-N 2.83Å; T550-N552 VanDerWaalsContact C-N 3.34Å; T550-N552 PolarHBondContact O-N 2.89Å; T550-W858 HydrophobicContact CG2-CH2 4.39Å; T550-W858 HydrophobicContact CG2-CZ2 3.87Å
551	R	42.4	Very low	58.7	Low	190 Å²	190	94.2 Å²	94.2	72%	0.717	52%	0.521	S	S	*	.			trans	-67.8	94	165.5	-94.9	-173.1	167	-165.1	-4.3	108.8	T549	T549-R551 PolarHBondContact O-N 2.82Å
552	N	37.4	Very low	56.8	Low	141 Å²	141	89.4 Å²	89.4	75%	0.754	50%	0.496	S	S	*	.			trans	-143.8	77.7	165	-96.9	-18.5	0	0	0	107.7	T550	T550-N552 VanDerWaalsContact C-N 3.34Å; T550-N552 PolarHBondContact O-N 2.89Å
553	S	28.1	Very low	54.7	Low	102 Å²	102	95.9 Å²	95.9	71%	0.713	53%	0.525	S	S	*	.	S	Bend	trans	-158.6	82.5	179.4	62.3	0	0	0	0	111.3	G555	S553-G555 PolarHBondContact O-N 2.87Å
554	N	31.2	Very low	52.9	Low	176 Å²	176	92.9 Å²	92.9	94%	0.941	52%	0.52	S	S	*	.	S	Bend	trans	37.1	71.1	156.9	-57.4	13.8	0	0	0	116.2
555	G	29.8	Very low	51.3	Low	58 Å²	58	89.4 Å²	89.4	60%	0.598	50%	0.504	S	S	*	.			trans	-161.5	99.3	168.4	0	0	0	0	0	109.1	S553 F557	S553-G555 PolarHBondContact O-N 2.87Å; G555-F557 PolarHBondContact O-N 2.9Å
556	D	27.8	Very low	49.9	Very low	163 Å²	163	91.5 Å²	91.5	87%	0.872	51%	0.514	S	S	*	.			trans	-64.8	104.6	-174.2	-64.4	-38.7	0	0	0	110.9
557	F	38.6	Very low	49	Very low	159 Å²	159	92.3 Å²	92.3	70%	0.697	52%	0.518	S	S	*	.			trans	-137	110	157.4	-79.9	-82.6	0	0	0	105	G555 V559	G555-F557 PolarHBondContact O-N 2.9Å; F557-V559 PolarHBondContact O-N 2.8Å
558	D	38	Very low	48.5	Very low	161 Å²	161	91.3 Å²	91.3	86%	0.861	51%	0.505	S	S	*	.			trans	-53.8	110.6	177.6	-62.5	-71.8	0	0	0	109.7
559	V	44.9	Very low	48.2	Very low	66 Å²	66	90 Å²	90	40%	0.4	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-86.8	118.2	162.1	179.3	0	0	0	0	104.6	F557 G561 L881	F557-V559 PolarHBondContact O-N 2.8Å; V559-G561 PolarHBondContact O-N 3.23Å; V559-L881 HydrophobicContact CG1-CD2 4.23Å
560	P	44.2	Very low	48.7	Very low	31 Å²	31	90.3 Å²	90.3	20%	0.201	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-52.5	143.2	-178.5	-26.1	32.6	0	0	0	111.7	T565 E568 L881	P560-T565 PolarHBondContact O-OG1 3.24Å; P560-E568 VanDerWaalsContact CG-OE1 3.3Å; P560-E568 WeakPolarHBondContact CG-OE1 3.21Å; P560-L881 WeakPolarHBondContact O-CD1 3.45Å
561	G	46.8	Very low	48.9	Very low	45 Å²	45	88.3 Å²	88.3	46%	0.464	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-57.8	173.7	168.2	0	0	0	0	0	111.6	V559 E563 G564 T565 L881	V559-G561 PolarHBondContact O-N 3.23Å; G561-E563 PolarHBondContact O-N 2.78Å; G561-G564 WeakPolarHBondContact O-CA 3.33Å; G561-G564 PolarHBondContact O-N 3.08Å; G561-T565 PolarHBondContact O-N 2.83Å; G561-T565 PolarHBondContact O-OG1 2.98Å; G561-T565 VanDerWaalsContact O-OG1 3.13Å; G561-L881 VanDerWaalsContact C-CD1 3.45Å
562	V	49.3	Very low	48.9	Very low	24 Å²	24	87.8 Å²	87.8	15%	0.145	49%	0.494	C	S	.	.	H	α-helix	trans	-58.3	-41.8	-175.4	179.9	0	0	0	0	111.2	T565 M566 L881 T884 F889	V562-T565 PolarHBondContact O-N 3.2Å; V562-M566 WeakPolarHBondContact O-CB 3.41Å; V562-M566 PolarHBondContact O-N 2.77Å; V562-L881 HydrophobicContact CB-CD1 4.27Å; V562-L881 HydrophobicContact CG2-CD1 3.48Å; V562-L881 VanDerWaalsContact CG2-CD1 3.48Å; V562-L881 HydrophobicContact CG2-CG 4.01Å; V562-L881 VanDerWaalsContact N-CD1 3.25Å; V562-T884 HydrophobicContact CG1-CG2 4.17Å; V562-T884 HydrophobicContact CG2-CG2 4Å; V562-F889 HydrophobicContact CG1-CD1 4.18Å; V562-F889 HydrophobicContact CG1-CE1 3.22Å; V562-F889 HydrophobicContact CG1-CZ 3.52Å
563	E	49.5	Very low	48.9	Very low	154 Å²	154	82.6 Å²	82.6	72%	0.72	47%	0.469	S	S	*	.	H	α-helix	trans	-61.9	-42	174.8	-65.5	158.8	-169	0	0	112.3	G561 M566 H567	G561-E563 PolarHBondContact O-N 2.78Å; E563-M566 WeakPolarHBondContact O-CB 3.43Å; E563-M566 PolarHBondContact O-N 2.93Å; E563-H567 WeakPolarHBondContact O-CB 3.47Å; E563-H567 PolarHBondContact O-N 3.4Å
564	G	54.2	Low	49	Very low	27 Å²	27	83.4 Å²	83.4	28%	0.278	46%	0.464	S	S	.	.	H	α-helix	trans	-67.1	-42	175.3	0	0	0	0	0	112.4	G561 M566 H567 E568	G561-G564 WeakPolarHBondContact O-CA 3.33Å; G561-G564 PolarHBondContact O-N 3.08Å; G564-M566 VanDerWaalsContact C-N 3.31Å; G564-M566 PolarHBondContact O-N 2.92Å; G564-H567 PolarHBondContact O-N 2.91Å; G564-E568 WeakPolarHBondContact O-CG 3.19Å; G564-E568 PolarHBondContact O-N 2.89Å
565	T	59.9	Low	48.8	Very low	13 Å²	13	80.2 Å²	80.2	8%	0.08	45%	0.453	C	S	.	.	H	α-helix	trans	-61.9	-40.6	174.6	-57	0	0	0	0	110.8	P560 G561 V562 I569	P560-T565 PolarHBondContact O-OG1 3.24Å; G561-T565 PolarHBondContact O-N 2.83Å; G561-T565 PolarHBondContact O-OG1 2.98Å; G561-T565 VanDerWaalsContact O-OG1 3.13Å; V562-T565 PolarHBondContact O-N 3.2Å; T565-I569 HydrophobicContact CG2-CD1 3.89Å; T565-I569 WeakPolarHBondContact O-CB 3.36Å; T565-I569 WeakPolarHBondContact O-CD1 3.39Å; T565-I569 WeakPolarHBondContact O-CG1 3.13Å; T565-I569 PolarHBondContact O-N 3.38Å
566	M	60.8	Low	48.6	Very low	58 Å²	58	82.7 Å²	82.7	29%	0.286	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-51	172.2	-179.5	-176.2	-79.9	0	0	110.8	V345 V562 E563 G564 E568 I569 F570 F889	V345-M566 HydrophobicContact CG1-CE 3.5Å; V345-M566 HydrophobicContact CG1-CG 4.4Å; V562-M566 WeakPolarHBondContact O-CB 3.41Å; V562-M566 PolarHBondContact O-N 2.77Å; E563-M566 WeakPolarHBondContact O-CB 3.43Å; E563-M566 PolarHBondContact O-N 2.93Å; G564-M566 VanDerWaalsContact C-N 3.31Å; G564-M566 PolarHBondContact O-N 2.92Å; M566-E568 VanDerWaalsContact C-N 3.27Å; M566-E568 PolarHBondContact O-N 3.17Å; M566-I569 PolarHBondContact O-N 2.87Å; M566-I569 VanDerWaalsContact O-N 3.12Å; M566-F570 HydrophobicContact CG-CD2 3.73Å; M566-F570 HydrophobicContact CG-CE2 3.96Å; M566-F570 VanDerWaalsContact O-CD2 3.25Å; M566-F570 WeakPolarHBondContact O-CD2 3.33Å; M566-F570 PolarHBondContact O-N 2.93Å; M566-F889 HydrophobicContact CE-CD1 3.79Å; M566-F889 HydrophobicContact CE-CE1 3.74Å
567	H	66.5	Low	48.6	Very low	99 Å²	99	81.7 Å²	81.7	46%	0.458	45%	0.454	S	S	.	.	H	α-helix	trans	-59.9	-34.1	179.5	-174.8	-83.8	0	0	0	112.9	E563 G564 F570 G571	E563-H567 WeakPolarHBondContact O-CB 3.47Å; E563-H567 PolarHBondContact O-N 3.4Å; G564-H567 PolarHBondContact O-N 2.91Å; H567-F570 CarbonylContact O-C 3.59Å; H567-G571 WeakPolarHBondContact O-CA 3.31Å; H567-G571 PolarHBondContact O-N 2.76Å; H567-G571 VanDerWaalsContact O-N 3.11Å
568	E	72.1	Confident	48	Very low	77 Å²	77	81.4 Å²	81.4	36%	0.36	46%	0.455	S	S	.	.	H	α-helix	trans	-70.3	-46.3	172	-69	175.3	169.5	0	0	112.1	W328 P560 G564 M566 F570 G571	W328-E568 WeakPolarHBondContact CB-O 3.4Å; P560-E568 VanDerWaalsContact CG-OE1 3.3Å; P560-E568 WeakPolarHBondContact CG-OE1 3.21Å; G564-E568 WeakPolarHBondContact O-CG 3.19Å; G564-E568 PolarHBondContact O-N 2.89Å; M566-E568 VanDerWaalsContact C-N 3.27Å; M566-E568 PolarHBondContact O-N 3.17Å; E568-F570 PolarHBondContact O-N 2.66Å; E568-G571 PolarHBondContact O-N 2.86Å; E568-G571 VanDerWaalsContact O-N 3.17Å
569	I	74.9	Confident	47.3	Very low	0 Å²	0	79.7 Å²	79.7	0%	0	45%	0.452	C	S	.	.	H	α-helix	trans	-59.2	-31.7	179	-76.8	171.1	0	0	0	112.6	L322 W328 Q342 V345 T565 M566	L322-I569 HydrophobicContact CD2-CD1 3.59Å; W328-I569 HydrophobicContact CD2-CG1 3.76Å; W328-I569 VanDerWaalsContact CE2-CG1 3.48Å; W328-I569 HydrophobicContact CG-CG1 3.83Å; W328-I569 HydrophobicContact CZ2-CD1 4.23Å; W328-I569 HydrophobicContact CZ2-CG1 4.07Å; W328-I569 VanDerWaalsContact NE1-CG1 3.34Å; Q342-I569 HydrophobicContact CB-CG2 4.32Å; Q342-I569 HydrophobicContact CG-CG2 3.36Å; Q342-I569 PolarHBondContact NE2-O 3.34Å; V345-I569 HydrophobicContact CG2-CD1 4.15Å; T565-I569 HydrophobicContact CG2-CD1 3.89Å; T565-I569 WeakPolarHBondContact O-CB 3.36Å; T565-I569 WeakPolarHBondContact O-CD1 3.39Å; T565-I569 WeakPolarHBondContact O-CG1 3.13Å; T565-I569 PolarHBondContact O-N 3.38Å; M566-I569 PolarHBondContact O-N 2.87Å; M566-I569 VanDerWaalsContact O-N 3.12Å
570	F	76.4	Confident	46.3	Very low	71 Å²	71	82.3 Å²	82.3	31%	0.311	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	23.4	179	-61.8	-77	0	0	0	113.2	Q342 V345 L346 M566 H567 E568	Q342-F570 HydrophobicContact CB-CE1 3.67Å; Q342-F570 HydrophobicContact CB-CZ 3.7Å; Q342-F570 HydrophobicContact CG-CD1 4.02Å; Q342-F570 HydrophobicContact CG-CE1 3.47Å; Q342-F570 VanDerWaalsContact CG-CE1 3.47Å; Q342-F570 HydrophobicContact CG-CZ 3.73Å; V345-F570 HydrophobicContact CG1-CE2 4.15Å; L346-F570 HydrophobicContact CD1-CE1 3.9Å; L346-F570 HydrophobicContact CD1-CE2 4.32Å; L346-F570 HydrophobicContact CD1-CZ 3.44Å; L346-F570 VanDerWaalsContact CD1-CZ 3.44Å; L346-F570 HydrophobicContact CG-CE2 4.43Å; L346-F570 HydrophobicContact CG-CZ 3.87Å; M566-F570 HydrophobicContact CG-CD2 3.73Å; M566-F570 HydrophobicContact CG-CE2 3.96Å; M566-F570 VanDerWaalsContact O-CD2 3.25Å; M566-F570 WeakPolarHBondContact O-CD2 3.33Å; M566-F570 PolarHBondContact O-N 2.93Å; H567-F570 CarbonylContact O-C 3.59Å; E568-F570 PolarHBondContact O-N 2.66Å
571	G	55.2	Low	45.4	Very low	39 Å²	39	86.5 Å²	86.5	40%	0.402	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	141.7	-163.4	0	0	0	0	0	118	H567 E568	H567-G571 WeakPolarHBondContact O-CA 3.31Å; H567-G571 PolarHBondContact O-N 2.76Å; H567-G571 VanDerWaalsContact O-N 3.11Å; E568-G571 PolarHBondContact O-N 2.86Å; E568-G571 VanDerWaalsContact O-N 3.17Å
572	H	40.8	Very low	44.3	Very low	179 Å²	179	90.2 Å²	90.2	83%	0.829	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	29.6	171.4	-69.5	-55.3	0	0	0	118.7
573	S	37.4	Very low	43.2	Very low	33 Å²	33	93.1 Å²	93.1	23%	0.231	53%	0.534	C	S	.	.	S	Bend	trans	-114.8	3.4	162.7	-54.4	0	0	0	0	114.9	N691 C694	S573-N691 PolarHBondContact OG-OD1 2.87Å; S573-C694 WeakPolarHBondContact CB-SG 3.09Å; S573-C694 WeakPolarHBondContact O-CB 3.34Å; S573-C694 PolarHBondContact O-SG 2.86Å
574	I	30.3	Very low	42	Very low	119 Å²	119	93.1 Å²	93.1	61%	0.61	54%	0.537	S	S	*	.	S	Bend	trans	-121.3	121.6	175.7	-56.2	178.7	0	0	0	110.1
575	P	27	Very low	40.6	Very low	108 Å²	108	98.3 Å²	98.3	70%	0.701	56%	0.558	S	S	*	*			trans	-68.8	137.3	172.2	-20.2	33.5	0	0	0	112.7	I577	P575-I577 PolarHBondContact O-N 2.84Å
576	S	25.1	Very low	38.9	Very low	111 Å²	111	107.1 Å²	107.1	78%	0.776	60%	0.596	S	S	*	*			trans	-77.7	107.1	175.8	-175.9	0	0	0	0	110.9	Q578	S576-Q578 PolarHBondContact O-N 3.19Å
577	I	28.1	Very low	37.1	Very low	141 Å²	141	110.7 Å²	110.7	72%	0.723	62%	0.621	S	S	*	*			trans	-76.8	107.3	167.4	-60.3	178.4	0	0	0	108	P575	P575-I577 PolarHBondContact O-N 2.84Å
578	Q	26.5	Very low	35.2	Very low	154 Å²	154	112.3 Å²	112.3	72%	0.72	64%	0.638	S	S	*	*			trans	-66.3	133.8	167.3	-69.5	-172.6	-14.3	0	0	109.6	S576 T580	S576-Q578 PolarHBondContact O-N 3.19Å; Q578-T580 PolarHBondContact O-N 3.06Å
579	P	24.1	Very low	32.8	Very low	124 Å²	124	115.7 Å²	115.7	81%	0.805	66%	0.657	S	S	*	*			trans	-74.1	89.4	179	29.9	-34.5	0	0	0	110.7	S581	P579-S581 PolarHBondContact O-N 2.85Å
580	T	22.4	Very low	30.3	Very low	121 Å²	121	123.7 Å²	123.7	74%	0.742	70%	0.695	S	S	*	*			trans	-67.5	98.7	166.1	34.1	0	0	0	0	109.6	Q578 V582	Q578-T580 PolarHBondContact O-N 3.06Å; T580-V582 VanDerWaalsContact C-N 3.35Å; T580-V582 PolarHBondContact O-N 3.39Å
581	S	26.7	Very low	27.8	Very low	120 Å²	120	127 Å²	127	84%	0.839	72%	0.72	S	S	*	*			trans	-69	85.5	179.4	58.2	0	0	0	0	111.7	P579 S583	P579-S581 PolarHBondContact O-N 2.85Å; S581-S583 PolarHBondContact O-N 3.02Å; S581-S583 VanDerWaalsContact O-N 3.13Å
582	V	23.7	Very low	26.2	Very low	122 Å²	122	128.5 Å²	128.5	74%	0.739	74%	0.736	S	S	*	*			trans	-75.7	96	169.7	-178.2	0	0	0	0	108.8	T580 I584	T580-V582 VanDerWaalsContact C-N 3.35Å; T580-V582 PolarHBondContact O-N 3.39Å; V582-I584 PolarHBondContact O-N 2.88Å
583	S	24.8	Very low	25.5	Very low	86 Å²	86	125 Å²	125	60%	0.601	73%	0.732	S	S	*	*			trans	-62.1	130.1	164.9	-174	0	0	0	0	109.3	S581 D585	S581-S583 PolarHBondContact O-N 3.02Å; S581-S583 VanDerWaalsContact O-N 3.13Å; S583-D585 PolarHBondContact OG-OD2 3.38Å; S583-D585 VanDerWaalsContact OG-OD2 3.13Å
584	I	26.2	Very low	24.9	Very low	153 Å²	153	129.4 Å²	129.4	79%	0.785	75%	0.753	S	S	*	*			trans	-105.4	90.7	165.4	-58.6	179.7	0	0	0	106.7	V582	V582-I584 PolarHBondContact O-N 2.88Å
585	D	23.8	Very low	24.8	Very low	136 Å²	136	130.7 Å²	130.7	73%	0.727	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-73.7	135.4	178.8	-92.7	-64	0	0	0	112.4	S583	S583-D585 PolarHBondContact OG-OD2 3.38Å; S583-D585 VanDerWaalsContact OG-OD2 3.13Å
586	F	24.2	Very low	24.9	Very low	199 Å²	199	132.8 Å²	132.8	87%	0.873	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-90.2	131.8	166.3	-109.5	-93	0	0	0	109.7
587	T	23.7	Very low	25.1	Very low	133 Å²	133	131.3 Å²	131.3	82%	0.816	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-80.1	119	-165.5	37	0	0	0	0	115.1
588	V	25	Very low	25.1	Very low	133 Å²	133	132.7 Å²	132.7	81%	0.806	76%	0.76	S	S	*	*			trans	-140.7	103.2	161.6	-175.1	0	0	0	0	112.8
589	L	22.1	Very low	24.9	Very low	147 Å²	147	132.8 Å²	132.8	77%	0.77	76%	0.762	S	S	*	*			trans	41.7	119	145	-69.6	164.7	0	0	0	123.6
590	Q	23.3	Very low	25.1	Very low	168 Å²	168	134.1 Å²	134.1	79%	0.785	76%	0.757	S	S	*	*				96.8	140.1	124.5	-90.3	-173.7	-8.4	0	0	123.7
591	V	23.8	Very low	25.2	Very low	140 Å²	140	134.3 Å²	134.3	85%	0.848	75%	0.754	S	S	*	*			trans	62.4	115.1	174.3	-162.6	0	0	0	0	113.6
592	G	22.1	Very low	25.1	Very low	71 Å²	71	136.6 Å²	136.6	73%	0.732	75%	0.749	S	S	*	*				102.1	135.6	51.8	0	0	0	0	0	108.2
593	S	24.4	Very low	25.1	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	75%	0.745	S	S	*	*			cis	-166	154.3	14.9	51.9	0	0	0	0	111.3
594	N	24.9	Very low	25	Very low	126 Å²	126	139.8 Å²	139.8	67%	0.674	75%	0.749	S	S	*	*			trans	64.2	155.2	158.6	-66.4	28.6	0	0	0	117.5
595	E	29.5	Very low	24.8	Very low	146 Å²	146	140.2 Å²	140.2	68%	0.682	75%	0.75	S	S	*	*			cis	-158.4	158	-12.6	-113.2	156	168.4	0	0	108.4
596	D	28.3	Very low	24.7	Very low	151 Å²	151	138.5 Å²	138.5	81%	0.807	75%	0.748	S	S	*	*			trans	54.7	144.7	153.4	-59.3	-11.8	0	0	0	122.3
597	A	29	Very low	24.8	Very low	81 Å²	81	135.9 Å²	135.9	67%	0.669	74%	0.743	S	S	*	*			cis	-164.3	158	-15.9	0	0	0	0	0	111.6
598	E	28.7	Very low	24.8	Very low	169 Å²	169	135.8 Å²	135.8	79%	0.79	74%	0.737	S	S	*	*			trans	50.9	116	147.6	-71.9	-175.2	162.7	0	0	121.2
599	M	23.1	Very low	24.9	Very low	156 Å²	156	136.1 Å²	136.1	77%	0.768	73%	0.73	S	S	*	*				73.9	140.4	86.2	-75.9	-170.4	-179.3	0	0	114.7
600	Q	27.7	Very low	25.2	Very low	152 Å²	152	136.5 Å²	136.5	71%	0.71	73%	0.728	S	S	*	*			cis	-148.3	150.2	7.3	-106.9	158.1	44.4	0	0	108.6
601	N	25.1	Very low	25.5	Very low	125 Å²	125	136.4 Å²	136.4	67%	0.668	73%	0.727	S	S	*	*				43.4	142.5	94.5	-72	-14.8	0	0	0	116.1
602	F	23.9	Very low	25.6	Very low	168 Å²	168	137 Å²	137	74%	0.737	73%	0.725	S	S	*	*			cis	-164.9	172	8.8	-122.6	-45.9	0	0	0	110.8
603	Q	23.8	Very low	25.8	Very low	138 Å²	138	137 Å²	137	65%	0.645	72%	0.724	S	S	*	*			trans	55	117.3	156.2	-112.6	49.2	5	0	0	119.7
604	I	23.3	Very low	26	Very low	137 Å²	137	139.7 Å²	139.7	70%	0.703	73%	0.73	S	S	*	*				71.2	98.3	57.4	-60.7	171.7	0	0	0	114.4
605	M	20.4	Very low	26.1	Very low	162 Å²	162	143 Å²	143	80%	0.798	74%	0.741	S	S	*	*				174.4	156	124.3	-90.2	-112.9	55.5	0	0	112.6
606	C	23.2	Very low	26	Very low	100 Å²	100	139.3 Å²	139.3	68%	0.676	74%	0.742	S	S	*	*			trans	-77.9	161.9	166.2	-55.8	0	0	0	0	110
607	D	25	Very low	26.1	Very low	145 Å²	145	139.1 Å²	139.1	78%	0.775	75%	0.746	S	S	*	*				-174.3	158.1	79	-92.2	-25.4	0	0	0	113.9
608	D	25.3	Very low	26.1	Very low	131 Å²	131	141.3 Å²	141.3	70%	0.701	76%	0.756	S	S	*	*			trans	47.6	127.3	148.1	-98.6	5.4	0	0	0	125.9
609	Q	27	Very low	26	Very low	139 Å²	139	136.4 Å²	136.4	65%	0.65	75%	0.752	S	S	*	*				87.1	144.4	128.9	-79.8	-173.2	60.1	0	0	124.8
610	Q	28.3	Very low	26.3	Very low	155 Å²	155	136.9 Å²	136.9	72%	0.724	76%	0.756	S	S	*	*			trans	74.9	96.7	149.9	-73.3	174.1	49.5	0	0	122.5
611	Q	28.4	Very low	26.3	Very low	166 Å²	166	136.7 Å²	136.7	78%	0.776	76%	0.759	S	S	*	*				62	134.9	112.8	-86.7	-170.2	-4.3	0	0	124.4
612	L	27.2	Very low	27.5	Very low	154 Å²	154	135.5 Å²	135.5	81%	0.806	76%	0.759	S	S	*	*			trans	85.9	142.6	141.8	-69.6	163.4	0	0	0	121.8
613	G	24.4	Very low	27.7	Very low	69 Å²	69	134 Å²	134	71%	0.711	76%	0.758	S	S	*	*			trans	106.7	106.7	175.2	0	0	0	0	0	113.3
614	L	28.6	Very low	27.9	Very low	163 Å²	163	134.1 Å²	134.1	85%	0.853	76%	0.762	S	S	*	*			cis	101	148.8	27.3	-72.9	171.1	0	0	0	115.6
615	E	28.2	Very low	28	Very low	197 Å²	197	134.3 Å²	134.3	92%	0.921	76%	0.764	S	S	*	*			trans	73	142.2	174.4	-48.8	-168.2	164.3	0	0	117.1
616	G	27.7	Very low	28.3	Very low	68 Å²	68	134.7 Å²	134.7	70%	0.701	76%	0.762	S	S	*	*			cis	-159.1	148.4	-9.3	0	0	0	0	0	109
617	V	29.6	Very low	28.5	Very low	147 Å²	147	135.2 Å²	135.2	89%	0.891	76%	0.762	S	S	*	*			cis	93.3	108.2	46.5	171.9	0	0	0	0	114.7
618	S	28.3	Very low	28.5	Very low	126 Å²	126	135.4 Å²	135.4	88%	0.881	76%	0.758	S	S	*	*			trans	179.8	141.7	146.7	48.4	0	0	0	0	110.3
619	G	27	Very low	28.4	Very low	67 Å²	67	136.8 Å²	136.8	69%	0.691	76%	0.758	S	S	*	*			cis	178.3	147.4	-16.8	0	0	0	0	0	114.2
620	I	30.1	Very low	28.1	Very low	166 Å²	166	138.9 Å²	138.9	85%	0.851	76%	0.76	S	S	*	*			trans	63.1	113.3	142	-52.3	172.6	0	0	0	117.3
621	D	27.2	Very low	27.8	Very low	147 Å²	147	138.5 Å²	138.5	79%	0.786	76%	0.76	S	S	*	*			cis	80.3	155.2	45.8	-152.3	49.7	0	0	0	112.6
622	P	50.9	Low	27.5	Very low	101 Å²	101	137.8 Å²	137.8	66%	0.656	76%	0.76	S	S	*	*			cis	-134.7	178.2	4.3	46	-30.1	0	0	0	117.3
623	D	28.2	Very low	27.2	Very low	135 Å²	135	135.3 Å²	135.3	72%	0.722	76%	0.755	S	S	*	*				-170.1	161.7	110	-143.5	-13.6	0	0	0	115
624	L	26.8	Very low	27.1	Very low	141 Å²	141	139.5 Å²	139.5	74%	0.738	76%	0.756	S	S	*	*			trans	71.2	76.8	167.9	-96.3	76.4	0	0	0	121.6
625	L	26.9	Very low	26.8	Very low	142 Å²	142	137.9 Å²	137.9	74%	0.743	75%	0.748	S	S	*	*				22.3	136	115.5	-67	154.6	0	0	0	118.3
626	K	25.6	Very low	26.5	Very low	170 Å²	170	135 Å²	135	74%	0.739	74%	0.744	S	S	*	*			cis	-176.6	141.6	45.9	-132.9	162.9	-170.1	176	0	114.6
627	T	27.1	Very low	26.2	Very low	111 Å²	111	136.8 Å²	136.8	68%	0.681	75%	0.746	S	S	*	*			trans	49.7	124.4	144.9	46.8	0	0	0	0	121.9
628	E	26.4	Very low	26.7	Very low	149 Å²	149	135 Å²	135	70%	0.696	74%	0.737	S	S	*	*				72	146.7	77.3	-90.8	-162	148.9	0	0	115.5
629	K	22	Very low	26.3	Very low	159 Å²	159	133.7 Å²	133.7	69%	0.691	73%	0.728	S	S	*	*			cis	-164.7	-168.6	-4.6	-146.6	176.4	-166	148.3	0	110.8
630	W	21.6	Very low	26.1	Very low	184 Å²	184	140.8 Å²	140.8	70%	0.697	73%	0.734	S	S	*	*			trans	-58.6	157.8	179.2	70.2	-24.7	0	0	0	122
631	M	21.1	Very low	25.7	Very low	147 Å²	147	138.6 Å²	138.6	72%	0.724	73%	0.725	S	S	*	*			trans	56.1	158.9	139.3	-71.1	-136.9	-78.4	0	0	125.6
632	L	22.5	Very low	25.5	Very low	150 Å²	150	136 Å²	136	79%	0.785	72%	0.717	S	S	*	*			trans	75.1	147.3	169.8	-59	159.9	0	0	0	116.1
633	C	21.3	Very low	24.2	Very low	102 Å²	102	138.7 Å²	138.7	69%	0.689	73%	0.725	S	S	*	*			cis	-141.4	163.9	-11.1	-97.2	0	0	0	0	107.2
634	E	21.9	Very low	23.8	Very low	157 Å²	157	139.1 Å²	139.1	73%	0.734	73%	0.726	S	S	*	*			cis	80.6	133	35.7	-144.5	-164.6	-115.5	0	0	116.5
635	N	23.4	Very low	23.5	Very low	129 Å²	129	137.5 Å²	137.5	69%	0.69	73%	0.725	S	S	*	*			trans	75.9	153.5	175	-53.1	-66.8	0	0	0	116.2
636	T	21.1	Very low	23.2	Very low	137 Å²	137	139.1 Å²	139.1	84%	0.84	73%	0.729	S	S	*	*			cis	-134	169.5	20.9	32	0	0	0	0	116.2
637	S	20.3	Very low	23.5	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	72%	0.722	S	S	*	*			trans	-97.1	-157.5	174.7	61.6	0	0	0	0	111.4
638	P	40.4	Very low	23.2	Very low	108 Å²	108	136.8 Å²	136.8	70%	0.701	72%	0.724	S	S	*	*			cis	-135.3	-166.7	-11.8	41.6	-23.4	0	0	0	113.9
639	S	20.8	Very low	23	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	73%	0.726	S	S	*	*				170.5	108.5	128.1	-178.5	0	0	0	0	116.9
640	W	22.8	Very low	23	Very low	215 Å²	215	133.6 Å²	133.6	81%	0.814	73%	0.726	S	S	*	*			trans	46.6	112.1	137	-59.1	93.4	0	0	0	124.5
641	D	21.5	Very low	23.1	Very low	121 Å²	121	133.5 Å²	133.5	65%	0.647	73%	0.733	S	S	*	*				74	112.5	116.6	-80.8	54	0	0	0	127.8
642	S	22.6	Very low	23.2	Very low	91 Å²	91	133.1 Å²	133.1	64%	0.636	74%	0.735	S	S	*	*				84.3	158.4	112.3	-62.1	0	0	0	0	123.4
643	I	22.8	Very low	23.4	Very low	158 Å²	158	133.2 Å²	133.2	81%	0.81	74%	0.735	S	S	*	*			trans	77	144.1	168	-55.8	175	0	0	0	116.4
644	I	20.6	Very low	23.5	Very low	145 Å²	145	131.6 Å²	131.6	74%	0.744	74%	0.735	S	S	*	*			cis	-175.2	146.2	-43.4	-109.7	165.6	0	0	0	108.1
645	C	19.8	Very low	23.6	Very low	107 Å²	107	131.7 Å²	131.7	72%	0.723	74%	0.74	S	S	*	*			trans	54	120.9	162.1	-73.3	0	0	0	0	123.6
646	E	20.6	Very low	23.6	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	74%	0.742	S	S	*	*				48.9	166.5	103.2	-81.7	-161	-171.7	0	0	123.3
647	P	33	Very low	23.8	Very low	92 Å²	92	133.8 Å²	133.8	60%	0.597	73%	0.728	S	S	*	*			cis	-148.6	-162.2	-32.7	42	-22.1	0	0	0	116
648	I	21.2	Very low	24.1	Very low	139 Å²	139	137 Å²	137	71%	0.713	73%	0.729	S	S	*	*			trans	78	120.3	152.3	-69.3	166.4	0	0	0	121.5	I650	I648-I650 HydrophobicContact CG2-CD1 3.99Å; I648-I650 HydrophobicContact CG2-CG1 4.38Å
649	S	21.6	Very low	23.4	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	73%	0.732	S	S	*	*				172.5	97.8	118.5	-169.2	0	0	0	0	110
650	I	22.1	Very low	23.5	Very low	134 Å²	134	138.4 Å²	138.4	69%	0.687	74%	0.739	S	S	*	*				59	100.3	84.1	-51	173	0	0	0	115.2	I648	I648-I650 HydrophobicContact CG2-CD1 3.99Å; I648-I650 HydrophobicContact CG2-CG1 4.38Å
651	Q	24.2	Very low	23.7	Very low	181 Å²	181	135.1 Å²	135.1	85%	0.846	73%	0.732	S	S	*	*				179.3	121.4	123.7	-93.3	170.1	31.2	0	0	108
652	D	23.1	Very low	23.9	Very low	140 Å²	140	137 Å²	137	75%	0.749	74%	0.735	S	S	*	*				71.7	134.5	81.4	-125.3	12.5	0	0	0	112.9
653	L	25.8	Very low	23.9	Very low	151 Å²	151	139.6 Å²	139.6	79%	0.791	74%	0.741	S	S	*	*			cis	-144.9	150.2	18.6	-86.1	160.6	0	0	0	113.2
654	G	23.5	Very low	24.5	Very low	68 Å²	68	137 Å²	137	70%	0.701	73%	0.734	S	S	*	*			trans	78.9	150.2	138.5	0	0	0	0	0	120.3
655	L	24	Very low	24.6	Very low	159 Å²	159	138 Å²	138	83%	0.832	74%	0.736	S	S	*	*			cis	-153.6	130.6	-1.5	-105.4	168	0	0	0	111.9
656	R	23.8	Very low	24.8	Very low	194 Å²	194	139 Å²	139	73%	0.732	73%	0.734	S	S	*	*			trans	60	114.9	151.8	-76.7	-169.5	167.2	-138.8	-6.9	120.5
657	E	26.4	Very low	25.4	Very low	117 Å²	117	135.6 Å²	135.6	55%	0.547	73%	0.727	S	S	.	*				76	141.7	78.9	-73.7	-175.3	175.9	0	0	113.3
658	K	25	Very low	25.1	Very low	174 Å²	174	137.7 Å²	137.7	76%	0.757	73%	0.733	S	S	*	*			cis	-159.6	164.6	-1.7	-105.1	156	-174.2	154	0	106.1
659	G	26.1	Very low	25.3	Very low	74 Å²	74	136 Å²	136	76%	0.763	73%	0.734	S	S	*	*			cis	179.2	159.3	0.9	0	0	0	0	0	109.5
660	L	23.8	Very low	25.5	Very low	162 Å²	162	140.3 Å²	140.3	85%	0.848	74%	0.739	S	S	*	*			trans	-114.9	-172.8	-172.5	-156	80.9	0	0	0	111.3
661	Q	26.2	Very low	25.8	Very low	146 Å²	146	141.5 Å²	141.5	68%	0.682	75%	0.747	S	S	*	*			trans	87	146.9	167.3	-51.1	-173.1	42.4	0	0	115.5
662	K	25.4	Very low	25.8	Very low	161 Å²	161	144 Å²	144	70%	0.7	75%	0.751	S	S	*	*			cis	-155.1	169.9	-8.8	-122.4	168.9	-170.9	159	0	113
663	L	23.7	Very low	25.9	Very low	145 Å²	145	146.9 Å²	146.9	76%	0.759	76%	0.756	S	S	*	*			trans	-21.9	164.8	152.6	-77.4	157.7	0	0	0	118
664	P	33.7	Very low	25.9	Very low	104 Å²	104	149.6 Å²	149.6	68%	0.675	76%	0.762	S	S	*	*			cis	-121.6	-159.6	25.5	45.2	-32	0	0	0	114.4
665	E	23.3	Very low	25.9	Very low	166 Å²	166	153.7 Å²	153.7	78%	0.776	77%	0.766	S	S	*	*			cis	-153	-177.5	3	-158.1	37.1	-79.6	0	0	112.5
666	N	25	Very low	25.9	Very low	129 Å²	129	153 Å²	153	69%	0.69	76%	0.763	S	S	*	*			trans	-119.8	156.4	175.2	-153.3	24	0	0	0	112.1
667	P	33.6	Very low	25.9	Very low	104 Å²	104	149.6 Å²	149.6	68%	0.675	76%	0.763	S	S	*	*				-150.8	168.7	79.2	40.9	-21.3	0	0	0	118.5
668	D	25.6	Very low	26.2	Very low	135 Å²	135	155.1 Å²	155.1	72%	0.722	78%	0.781	S	S	*	*			trans	67.3	103.9	145.1	-67.6	-9	0	0	0	125.1
669	S	24.8	Very low	26.1	Very low	105 Å²	105	149.7 Å²	149.7	73%	0.734	77%	0.774	S	S	*	*				113.4	158.6	113.8	81	0	0	0	0	120.7
670	K	27.2	Very low	26.1	Very low	197 Å²	197	153 Å²	153	86%	0.857	77%	0.774	S	S	*	*			trans	75.9	98.7	169.5	-63	-177.9	-177.4	178.1	0	118
671	N	27.8	Very low	26.3	Very low	159 Å²	159	150.2 Å²	150.2	85%	0.85	77%	0.766	S	S	*	*			trans	-44.3	132	172.2	-61.4	-39.6	0	0	0	115.3
672	Y	24.5	Very low	26.3	Very low	235 Å²	235	148.8 Å²	148.8	92%	0.922	76%	0.763	S	S	*	*			trans	-141.7	121.4	137	-100.2	-83.2	0	0	0	109
673	K	25.3	Very low	26.7	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.865	76%	0.756	S	S	*	*			trans	-96.1	144	167.7	-90.3	-176	175	177.9	0	109.2
674	K	25.2	Very low	26.9	Very low	209 Å²	209	146 Å²	146	91%	0.909	75%	0.748	S	S	*	*			trans	-53.2	139.1	165.6	-74.2	-179.2	170.9	-175.9	0	110.1
675	I	22.8	Very low	26.9	Very low	153 Å²	153	144.4 Å²	144.4	79%	0.785	74%	0.737	S	S	*	*			trans	-108.5	137.1	151.5	-65.4	-179.1	0	0	0	107.2	V677	I675-V677 HydrophobicContact CG2-CG2 4.07Å
676	N	25.1	Very low	27.5	Very low	146 Å²	146	140.3 Å²	140.3	78%	0.781	72%	0.719	S	S	*	*			trans	-100.3	127.2	178.8	-166.6	47.1	0	0	0	107.4
677	V	24.4	Very low	28	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	71%	0.71	S	S	*	*			trans	-123.3	81.6	-179.5	-170.7	0	0	0	0	110.2	I675	I675-V677 HydrophobicContact CG2-CG2 4.07Å
678	Y	30.9	Very low	27.8	Very low	234 Å²	234	137.9 Å²	137.9	92%	0.918	70%	0.697	S	S	*	*			trans	-85.7	108.7	139	-99.9	-96.3	0	0	0	105.8
679	G	23.1	Very low	28.5	Very low	59 Å²	59	135.5 Å²	135.5	61%	0.608	68%	0.683	S	S	*	*			trans	-110.4	122.8	177	0	0	0	0	0	109.7
680	N	26.6	Very low	28.8	Very low	144 Å²	144	134.1 Å²	134.1	77%	0.77	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-73.3	128.1	171.9	-158.2	26.2	0	0	0	108.2	N682	N680-N682 PolarHBondContact O-N 3.2Å
681	P	28.9	Very low	29.1	Very low	104 Å²	104	128.1 Å²	128.1	68%	0.675	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-68.7	118.3	176.2	27.3	-32.8	0	0	0	109.6
682	N	26	Very low	29.3	Very low	115 Å²	115	124.6 Å²	124.6	62%	0.615	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-69.1	146.5	179.2	-70.7	-34.9	0	0	0	110.8	N680 H684 T685	N680-N682 PolarHBondContact O-N 3.2Å; N682-H684 PolarHBondContact O-N 3.39Å; N682-T685 PolarHBondContact O-N 2.92Å; N682-T685 VanDerWaalsContact O-N 3.11Å
683	H	33.2	Very low	30	Very low	120 Å²	120	119.5 Å²	119.5	56%	0.556	61%	0.614	S	S	*	*	H	α-helix	trans	-51.2	-29.7	175.6	-94.4	-109.3	0	0	0	113.4	D334 T685 I686 I687	D334-H683 IonicContact OD1-CE1 3.78Å; D334-H683 IonicContact OD2-CE1 3.99Å; H683-T685 VanDerWaalsContact C-N 3.31Å; H683-T685 PolarHBondContact O-N 2.97Å; H683-I686 PolarHBondContact O-N 3.05Å; H683-I687 PolarHBondContact O-N 3.09Å
684	H	28.4	Very low	30.4	Very low	127 Å²	127	112.4 Å²	112.4	59%	0.588	59%	0.589	S	S	*	*	H	α-helix	trans	-55	-42.5	179.2	-151.9	-83.9	0	0	0	112.8	N682 I686 I687 E688	N682-H684 PolarHBondContact O-N 3.39Å; H684-I686 VanDerWaalsContact C-N 3.32Å; H684-I686 PolarHBondContact O-N 3Å; H684-I687 PolarHBondContact O-N 3.06Å; H684-I687 VanDerWaalsContact O-N 3.15Å; H684-E688 IonicContact CE1-OE2 3.76Å; H684-E688 IonicContact CG-OE2 3.75Å; H684-E688 IonicContact ND1-OE1 3.9Å; H684-E688 IonicContact ND1-OE2 2.79Å; H684-E688 PolarHBondContact ND1-OE2 3.06Å; H684-E688 WeakPolarHBondContact O-CG 3.45Å; H684-E688 PolarHBondContact O-N 3.22Å
685	T	32.5	Very low	30.7	Very low	72 Å²	72	107.8 Å²	107.8	44%	0.442	57%	0.574	S	S	.	*	H	α-helix	trans	-68.9	-28.4	-175.2	-50	0	0	0	0	113	N682 H683 I689	N682-T685 PolarHBondContact O-N 2.92Å; N682-T685 VanDerWaalsContact O-N 3.11Å; H683-T685 VanDerWaalsContact C-N 3.31Å; H683-T685 PolarHBondContact O-N 2.97Å; T685-I689 WeakPolarHBondContact O-CD1 3.48Å; T685-I689 VanDerWaalsContact O-CG1 3.29Å; T685-I689 WeakPolarHBondContact O-CG1 3.45Å; T685-I689 PolarHBondContact O-N 3.09Å; T685-I689 VanDerWaalsContact O-N 3.11Å
686	I	36.3	Very low	31.1	Very low	80 Å²	80	106.9 Å²	106.9	41%	0.41	57%	0.57	S	S	.	*	H	α-helix	trans	-74	-37.8	175.3	-61.1	177.1	0	0	0	110.2	H683 H684 I689 C690	H683-I686 PolarHBondContact O-N 3.05Å; H684-I686 VanDerWaalsContact C-N 3.32Å; H684-I686 PolarHBondContact O-N 3Å; I686-I689 PolarHBondContact O-N 2.66Å; I686-C690 PolarHBondContact O-N 3.27Å; I686-C690 PolarHBondContact O-SG 2.86Å
687	I	35.6	Very low	31.6	Very low	98 Å²	98	109.4 Å²	109.4	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-68.9	-40.7	175.3	-63.1	172.1	0	0	0	110.5	H683 H684 I689 C690 N691	H683-I687 PolarHBondContact O-N 3.09Å; H684-I687 PolarHBondContact O-N 3.06Å; H684-I687 VanDerWaalsContact O-N 3.15Å; I687-I689 VanDerWaalsContact C-N 3.33Å; I687-I689 PolarHBondContact O-N 3.09Å; I687-C690 PolarHBondContact O-N 3.42Å; I687-N691 PolarHBondContact O-N 3.11Å
688	E	30.2	Very low	32.2	Very low	83 Å²	83	110.3 Å²	110.3	39%	0.388	57%	0.571	S	S	.	*	H	α-helix	trans	-59.8	-39.6	173.1	-76.5	170	105.3	0	0	112.1	H684 N691 N692	H684-E688 IonicContact CE1-OE2 3.76Å; H684-E688 IonicContact CG-OE2 3.75Å; H684-E688 IonicContact ND1-OE1 3.9Å; H684-E688 IonicContact ND1-OE2 2.79Å; H684-E688 PolarHBondContact ND1-OE2 3.06Å; H684-E688 WeakPolarHBondContact O-CG 3.45Å; H684-E688 PolarHBondContact O-N 3.22Å; E688-N691 PolarHBondContact O-N 3.36Å; E688-N692 VanDerWaalsContact O-CB 3.3Å; E688-N692 WeakPolarHBondContact O-CB 3.25Å; E688-N692 VanDerWaalsContact O-CG 3.26Å; E688-N692 PolarHBondContact O-N 2.88Å; E688-N692 PolarHBondContact O-ND2 3.44Å
689	I	38.7	Very low	32.3	Very low	86 Å²	86	107.6 Å²	107.6	44%	0.441	57%	0.566	S	S	.	*	H	α-helix	trans	-64.4	-45.6	176.3	-71	163.7	0	0	0	111	T685 I686 I687 N691 F693	T685-I689 WeakPolarHBondContact O-CD1 3.48Å; T685-I689 VanDerWaalsContact O-CG1 3.29Å; T685-I689 WeakPolarHBondContact O-CG1 3.45Å; T685-I689 PolarHBondContact O-N 3.09Å; T685-I689 VanDerWaalsContact O-N 3.11Å; I686-I689 PolarHBondContact O-N 2.66Å; I687-I689 VanDerWaalsContact C-N 3.33Å; I687-I689 PolarHBondContact O-N 3.09Å; I689-N691 VanDerWaalsContact C-N 3.33Å; I689-N691 PolarHBondContact O-N 2.88Å; I689-F693 HydrophobicContact CG2-CD2 4.32Å; I689-F693 PolarHBondContact O-N 3.39Å
690	C	31.9	Very low	32.6	Very low	76 Å²	76	113.2 Å²	113.2	51%	0.514	57%	0.574	S	S	.	*	H	α-helix	trans	-61.8	-38.8	176.8	-65.8	0	0	0	0	113	I686 I687	I686-C690 PolarHBondContact O-N 3.27Å; I686-C690 PolarHBondContact O-SG 2.86Å; I687-C690 PolarHBondContact O-N 3.42Å
691	N	33.4	Very low	32.7	Very low	70 Å²	70	115 Å²	115	37%	0.374	58%	0.575	S	S	.	*	H	α-helix	trans	-72.8	-46.1	179.1	-70.3	-13	0	0	0	112.2	S573 I687 E688 I689 F693 C694 D695	S573-N691 PolarHBondContact OG-OD1 2.87Å; I687-N691 PolarHBondContact O-N 3.11Å; E688-N691 PolarHBondContact O-N 3.36Å; I689-N691 VanDerWaalsContact C-N 3.33Å; I689-N691 PolarHBondContact O-N 2.88Å; N691-F693 PolarHBondContact O-N 3.37Å; N691-F693 VanDerWaalsContact O-N 3.13Å; N691-C694 PolarHBondContact O-N 2.93Å; N691-D695 PolarHBondContact O-N 3.3Å
692	N	32.1	Very low	32.9	Very low	85 Å²	85	116.6 Å²	116.6	46%	0.455	58%	0.577	S	S	.	*	H	α-helix	trans	-57.4	-30.3	178.5	-78.9	-56.2	0	0	0	112.6	E688 C694 D695 L696	E688-N692 VanDerWaalsContact O-CB 3.3Å; E688-N692 WeakPolarHBondContact O-CB 3.25Å; E688-N692 VanDerWaalsContact O-CG 3.26Å; E688-N692 PolarHBondContact O-N 2.88Å; E688-N692 PolarHBondContact O-ND2 3.44Å; N692-C694 VanDerWaalsContact C-N 3.28Å; N692-C694 PolarHBondContact O-N 3.4Å; N692-D695 PolarHBondContact O-N 3.38Å; N692-L696 VanDerWaalsContact O-CB 3.32Å; N692-L696 WeakPolarHBondContact O-CB 3.01Å; N692-L696 WeakPolarHBondContact O-CD1 3.32Å; N692-L696 VanDerWaalsContact O-CG 3.23Å; N692-L696 WeakPolarHBondContact O-CG 3.48Å; N692-L696 PolarHBondContact O-N 3.09Å
693	F	39.5	Very low	33.3	Very low	128 Å²	128	119 Å²	119	56%	0.561	59%	0.585	S	S	*	*	H	α-helix	trans	-71.8	-16.7	177.3	-100.6	-84.4	0	0	0	114.8	I689 N691	I689-F693 HydrophobicContact CG2-CD2 4.32Å; I689-F693 PolarHBondContact O-N 3.39Å; N691-F693 PolarHBondContact O-N 3.37Å; N691-F693 VanDerWaalsContact O-N 3.13Å
694	C	34.5	Very low	33.2	Very low	51 Å²	51	120 Å²	120	35%	0.345	59%	0.594	S	S	.	*	H	α-helix	trans	-86.7	-42.5	171.1	-64	0	0	0	0	111.1	S573 N691 N692 L696 K697	S573-C694 WeakPolarHBondContact CB-SG 3.09Å; S573-C694 WeakPolarHBondContact O-CB 3.34Å; S573-C694 PolarHBondContact O-SG 2.86Å; N691-C694 PolarHBondContact O-N 2.93Å; N692-C694 VanDerWaalsContact C-N 3.28Å; N692-C694 PolarHBondContact O-N 3.4Å; C694-L696 VanDerWaalsContact C-N 3.3Å; C694-L696 PolarHBondContact O-N 3.47Å; C694-K697 PolarHBondContact O-N 2.93Å
695	D	29.6	Very low	33.6	Very low	111 Å²	111	117.9 Å²	117.9	59%	0.594	59%	0.59	S	S	*	*	H	α-helix	trans	-66.3	-29.1	177.8	-66.2	-31.2	0	0	0	112.9	N691 N692 K697 E698	N691-D695 PolarHBondContact O-N 3.3Å; N692-D695 PolarHBondContact O-N 3.38Å; D695-K697 PolarHBondContact O-N 2.82Å; D695-E698 PolarHBondContact O-N 3.01Å
696	L	32.3	Very low	33.7	Very low	135 Å²	135	121 Å²	121	71%	0.707	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-0.7	-178.8	-83.4	169.5	0	0	0	115.7	N692 C694	N692-L696 VanDerWaalsContact O-CB 3.32Å; N692-L696 WeakPolarHBondContact O-CB 3.01Å; N692-L696 WeakPolarHBondContact O-CD1 3.32Å; N692-L696 VanDerWaalsContact O-CG 3.23Å; N692-L696 WeakPolarHBondContact O-CG 3.48Å; N692-L696 PolarHBondContact O-N 3.09Å; C694-L696 VanDerWaalsContact C-N 3.3Å; C694-L696 PolarHBondContact O-N 3.47Å
697	K	35.3	Very low	33.7	Very low	198 Å²	198	122.7 Å²	122.7	86%	0.861	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-10.4	166.3	-88	-172.4	173.7	-178.6	0	114.5	C694 D695	C694-K697 PolarHBondContact O-N 2.93Å; D695-K697 PolarHBondContact O-N 2.82Å
698	E	38.1	Very low	33.6	Very low	141 Å²	141	123 Å²	123	66%	0.659	61%	0.608	S	S	*	*	S	Bend	trans	-129.2	65.7	-174.7	-65.5	-159.2	159.6	0	0	114.7	D695	D695-E698 PolarHBondContact O-N 3.01Å
699	Q	31.3	Very low	33.9	Very low	177 Å²	177	121.1 Å²	121.1	83%	0.827	61%	0.61	S	S	*	*	S	Bend		179.3	150.8	123.1	-99.6	168.1	57.4	0	0	115.3
700	K	30.8	Very low	33.8	Very low	177 Å²	177	123.3 Å²	123.3	77%	0.77	62%	0.617	S	S	*	*			trans	60.8	83.9	164.5	-67.8	-179.4	178.3	175.8	0	118.3
701	F	27.2	Very low	34	Very low	180 Å²	180	125.5 Å²	125.5	79%	0.789	62%	0.619	S	S	*	*				-150.2	61.4	124.8	-123	-71.1	0	0	0	113.8
702	L	33.3	Very low	34.2	Very low	139 Å²	139	127 Å²	127	73%	0.728	63%	0.627	S	S	*	*			trans	-128.3	131.1	161.7	-158.7	66.1	0	0	0	103.5
703	E	34.6	Very low	34.4	Very low	166 Å²	166	130.5 Å²	130.5	78%	0.776	65%	0.645	S	S	*	*	S	Bend	cis	-130.8	-10.7	42.9	-66.7	162.6	118.8	0	0	116	T705	E703-T705 PolarHBondContact O-N 3.24Å; E703-T705 VanDerWaalsContact O-N 3.15Å
704	D	31.9	Very low	34.3	Very low	141 Å²	141	132.7 Å²	132.7	75%	0.754	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-3.9	-163.2	-83.7	-34.3	0	0	0	117.9
705	T	35.4	Very low	34.4	Very low	81 Å²	81	137.6 Å²	137.6	50%	0.497	68%	0.675	S	S	.	*	H	α-helix	trans	-96.4	-14.4	-175.4	44.5	0	0	0	0	115.1	E703 E707 I708 G709	E703-T705 PolarHBondContact O-N 3.24Å; E703-T705 VanDerWaalsContact O-N 3.15Å; T705-E707 VanDerWaalsContact C-N 3.31Å; T705-E707 PolarHBondContact O-N 3.13Å; T705-I708 PolarHBondContact O-N 2.86Å; T705-G709 PolarHBondContact O-N 3.39Å; T705-G709 VanDerWaalsContact O-N 3.13Å
706	Q	34.9	Very low	34.6	Very low	139 Å²	139	139.9 Å²	139.9	65%	0.65	68%	0.681	S	S	*	*	H	α-helix	trans	-74.7	-18.6	-172.4	-138.4	-176.5	45.4	0	0	114.3
707	E	36.3	Very low	34.9	Very low	115 Å²	115	136.7 Å²	136.7	54%	0.537	68%	0.681	S	S	.	*	H	α-helix	trans	-92.2	-37.5	174.7	-169.5	53.7	-147.7	0	0	112	T705 G709 K710 Q711	T705-E707 VanDerWaalsContact C-N 3.31Å; T705-E707 PolarHBondContact O-N 3.13Å; E707-G709 PolarHBondContact O-N 2.82Å; E707-K710 PolarHBondContact O-N 3.16Å; E707-Q711 PolarHBondContact O-N 3.47Å; E707-Q711 PolarHBondContact OE1-NE2 3.5Å; E707-Q711 VanDerWaalsContact OE1-NE2 3.1Å
708	I	35.3	Very low	34.9	Very low	104 Å²	104	136.8 Å²	136.8	53%	0.533	68%	0.681	S	S	.	*	H	α-helix	trans	-63.8	-41	176.7	-63	177.2	0	0	0	111.1	T705 K710 Q711 L712	T705-I708 PolarHBondContact O-N 2.86Å; I708-K710 VanDerWaalsContact C-N 3.31Å; I708-K710 PolarHBondContact O-N 3.45Å; I708-Q711 PolarHBondContact O-N 3.27Å; I708-L712 HydrophobicContact CG2-CD1 4.02Å; I708-L712 PolarHBondContact O-N 3.38Å
709	G	36.1	Very low	34.7	Very low	43 Å²	43	141 Å²	141	44%	0.443	69%	0.691	S	S	.	*	H	α-helix	trans	-60.8	-36.3	177.4	0	0	0	0	0	113.7	T705 E707 L713	T705-G709 PolarHBondContact O-N 3.39Å; T705-G709 VanDerWaalsContact O-N 3.13Å; E707-G709 PolarHBondContact O-N 2.82Å; G709-L713 PolarHBondContact O-N 3.25Å
710	K	36.4	Very low	34.6	Very low	133 Å²	133	140.6 Å²	140.6	58%	0.578	69%	0.693	S	S	*	*	H	α-helix	trans	-73.1	-30.7	179	-72.8	174.1	-176.6	163.4	0	112.9	E707 I708	E707-K710 PolarHBondContact O-N 3.16Å; I708-K710 VanDerWaalsContact C-N 3.31Å; I708-K710 PolarHBondContact O-N 3.45Å
711	Q	36.3	Very low	34.6	Very low	121 Å²	121	141.4 Å²	141.4	57%	0.565	70%	0.7	S	S	*	*	H	α-helix	trans	-80	-38	177.2	-62.9	-175.1	22.4	0	0	112	E707 I708 Q714	E707-Q711 PolarHBondContact O-N 3.47Å; E707-Q711 PolarHBondContact OE1-NE2 3.5Å; E707-Q711 VanDerWaalsContact OE1-NE2 3.1Å; I708-Q711 PolarHBondContact O-N 3.27Å; Q711-Q714 PolarHBondContact O-N 3.08Å
712	L	36	Very low	34.7	Very low	103 Å²	103	142.1 Å²	142.1	54%	0.539	70%	0.702	S	S	.	*	H	α-helix	trans	-67.1	-38.2	176.3	-85.6	168.3	0	0	0	113.4	I708 Q714 Q715	I708-L712 HydrophobicContact CG2-CD1 4.02Å; I708-L712 PolarHBondContact O-N 3.38Å; L712-Q714 PolarHBondContact O-N 3.19Å; L712-Q715 PolarHBondContact O-N 2.82Å
713	L	38	Very low	34.4	Very low	157 Å²	157	144.7 Å²	144.7	82%	0.822	71%	0.711	S	S	*	*	H	α-helix	trans	-67.4	-14.8	176.7	-144.8	78.4	0	0	0	113.2	G709	G709-L713 PolarHBondContact O-N 3.25Å
714	Q	37.6	Very low	34	Very low	174 Å²	174	144.4 Å²	144.4	81%	0.813	71%	0.714	S	S	*	*	H	α-helix	trans	-90.8	-15.2	176.8	-150.2	173.6	57.6	0	0	113.6	Q711 L712	Q711-Q714 PolarHBondContact O-N 3.08Å; L712-Q714 PolarHBondContact O-N 3.19Å
715	Q	35.8	Very low	33.9	Very low	155 Å²	155	145.2 Å²	145.2	72%	0.724	72%	0.717	S	S	*	*	H	α-helix	trans	-97.5	-24.9	-174.5	-140.1	178.3	25	0	0	114.8	L712	L712-Q715 PolarHBondContact O-N 2.82Å
716	H	34.3	Very low	34.2	Very low	158 Å²	158	147.3 Å²	147.3	73%	0.731	73%	0.732	S	S	*	*	S	Bend	trans	-92.8	-4.5	179.2	-92	-92.3	0	0	0	115.6	K718	H716-K718 PolarHBondContact O-N 2.82Å
717	G	38.2	Very low	33.7	Very low	68 Å²	68	152.2 Å²	152.2	70%	0.701	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	11.2	176.8	0	0	0	0	0	116.6
718	K	36	Very low	32.9	Very low	200 Å²	200	150 Å²	150	87%	0.87	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.6	32.9	-172.6	-70.7	-172.2	178	173	0	116	H716	H716-K718 PolarHBondContact O-N 2.82Å
719	R	33.2	Very low	32.4	Very low	229 Å²	229	152.2 Å²	152.2	86%	0.864	76%	0.759	S	S	*	*	S	Bend	trans	-155.7	117.9	156.7	-95.5	169	171	163.3	-5.2	104.1
720	I	28.8	Very low	32.7	Very low	170 Å²	170	155.4 Å²	155.4	87%	0.872	77%	0.771	S	S	*	*	S	Bend	cis	-130.5	114.4	38.8	-57.2	169.3	0	0	0	111.1
721	Q	31.1	Very low	32.3	Very low	193 Å²	193	157 Å²	157	90%	0.902	78%	0.781	S	S	*	*	S	Bend	trans	-152.8	50.2	159.8	-155.5	-172.6	33.3	0	0	112.2
722	K	29.3	Very low	31.7	Very low	196 Å²	196	155.7 Å²	155.7	85%	0.852	79%	0.785	S	S	*	*			trans	-165.2	102.2	165.7	-124.5	-179.3	-178.1	-176.9	0	110.8
723	E	27.2	Very low	31.2	Very low	193 Å²	193	155.5 Å²	155.5	90%	0.902	79%	0.788	S	S	*	*			trans	171.6	94.5	137.6	-99.1	175.2	-152.6	0	0	109.7
724	L	25.1	Very low	30.6	Very low	160 Å²	160	158.9 Å²	158.9	84%	0.838	79%	0.79	S	S	*	*			trans	-160.9	125.7	160.2	-113	170	0	0	0	108.8
725	L	31.5	Very low	30	Very low	158 Å²	158	153.7 Å²	153.7	83%	0.827	78%	0.783	S	S	*	*			trans	68.4	157.7	175.7	-52.3	173.5	0	0	0	115.7
726	P	40.8	Very low	29.4	Very low	124 Å²	124	153.8 Å²	153.8	81%	0.805	79%	0.794	S	S	*	*			cis	-129.9	159	5.4	40.8	-25.7	0	0	0	117.1
727	W	23.6	Very low	28.9	Very low	242 Å²	242	154.6 Å²	154.6	92%	0.917	80%	0.798	S	S	*	*			trans	-154.2	150.2	148	166.1	-92.3	0	0	0	108.3
728	A	21.3	Very low	28.3	Very low	70 Å²	70	160.5 Å²	160.5	58%	0.579	81%	0.808	S	S	*	*			trans	-153.9	140.4	-172.9	0	0	0	0	0	115.8
729	L	23.6	Very low	27.8	Very low	150 Å²	150	157.1 Å²	157.1	79%	0.785	80%	0.799	S	S	*	*			trans	61.1	178.4	145.9	-73.4	166	0	0	0	118.5
730	P	42.6	Very low	27.5	Very low	109 Å²	109	154.2 Å²	154.2	71%	0.708	80%	0.797	S	S	*	*			cis	-107.7	-150.3	-17	20.6	4	0	0	0	110.1
731	Q	27.2	Very low	27.3	Very low	166 Å²	166	149 Å²	149	78%	0.776	79%	0.785	S	S	*	*			cis	-145.7	145.7	13.3	-84.9	-163.8	47.5	0	0	109.6
732	S	25.5	Very low	27.1	Very low	95 Å²	95	149.7 Å²	149.7	66%	0.664	79%	0.785	S	S	*	*				72.4	139.6	93.4	-141.9	0	0	0	0	114.7
733	V	25.3	Very low	26.9	Very low	99 Å²	99	148.4 Å²	148.4	60%	0.6	79%	0.788	S	S	*	*				-154.7	134.5	50.8	166.2	0	0	0	0	114.4
734	R	25.2	Very low	26.7	Very low	228 Å²	228	147.3 Å²	147.3	86%	0.86	79%	0.785	S	S	*	*			trans	37.7	141.9	151.9	-68.5	173.3	-92	-107.6	-6.1	122.4
735	G	23.5	Very low	26.7	Very low	64 Å²	64	146.5 Å²	146.5	66%	0.66	78%	0.781	S	S	*	*			cis	155.4	-160.7	-7.3	0	0	0	0	0	116.9
736	T	24.3	Very low	26.3	Very low	157 Å²	157	150 Å²	150	96%	0.963	78%	0.783	S	S	*	*			trans	75.8	145.8	175.6	40.3	0	0	0	0	119.3
737	Q	22.7	Very low	25.4	Very low	175 Å²	175	154.5 Å²	154.5	82%	0.818	79%	0.786	S	S	*	*			trans	-169.7	147.6	-154.4	162.2	-169.9	-11.5	0	0	108.1
738	E	26.2	Very low	25.4	Very low	193 Å²	193	148.3 Å²	148.3	90%	0.902	78%	0.78	S	S	*	*			trans	165.4	162.6	157.5	-98.2	159.6	-148.8	0	0	109.1
739	D	26.4	Very low	25.6	Very low	129 Å²	129	152.3 Å²	152.3	69%	0.69	79%	0.786	S	S	*	*				-158.6	168.7	-55.5	-154.5	22.2	0	0	0	105.6
740	M	25.9	Very low	25.6	Very low	168 Å²	168	153.1 Å²	153.1	83%	0.828	79%	0.788	S	S	*	*			cis	-139.2	175	14.8	-76.8	176.8	177.6	0	0	109
741	G	25.4	Very low	24.7	Very low	60 Å²	60	154.5 Å²	154.5	62%	0.619	79%	0.794	S	S	*	*			cis	113.9	120.7	5.4	0	0	0	0	0	113.3
742	K	27.1	Very low	24.6	Very low	207 Å²	207	153.4 Å²	153.4	90%	0.9	79%	0.794	S	S	*	*			trans	-164.5	93.6	164.3	-119.2	165.3	-169.9	171	0	116.4
743	N	25.4	Very low	25.3	Very low	170 Å²	170	153.7 Å²	153.7	91%	0.909	79%	0.793	S	S	*	*			trans	59.8	152.2	147.5	-76	-0.9	0	0	0	123.6
744	M	22.2	Very low	25.3	Very low	169 Å²	169	157.8 Å²	157.8	83%	0.833	80%	0.803	S	S	*	*			trans	-155.2	148.9	-170.8	167.5	177.7	68.6	0	0	108.7
745	N	24.5	Very low	25.4	Very low	143 Å²	143	154.4 Å²	154.4	77%	0.765	80%	0.8	S	S	*	*			trans	168.5	152.4	156.7	-92.8	-45.2	0	0	0	108.6
746	R	23.5	Very low	25.5	Very low	231 Å²	231	158.3 Å²	158.3	87%	0.872	81%	0.806	S	S	*	*			cis	-151.8	166.6	13.3	-134.5	173.2	-164.7	167.5	2.1	111.1
747	Y	22.2	Very low	26	Very low	220 Å²	220	155.2 Å²	155.2	86%	0.863	80%	0.796	S	S	*	*			trans	-74.8	148.9	175.1	-86.4	-115.3	0	0	0	113.8
748	S	23.3	Very low	26.3	Very low	112 Å²	112	153.4 Å²	153.4	78%	0.783	79%	0.793	S	S	*	*				171.9	175.4	96.8	-105.9	0	0	0	0	114.3
749	E	25.5	Very low	26.4	Very low	154 Å²	154	153.6 Å²	153.6	72%	0.72	79%	0.791	S	S	*	*			trans	-89.8	163.4	-157.2	-64.4	165	101.2	0	0	118.9
750	M	23.3	Very low	26.7	Very low	166 Å²	166	156.2 Å²	156.2	82%	0.818	80%	0.804	S	S	*	*			trans	80.9	152.1	141.5	-83.9	179.2	-155.9	0	0	123.6
751	V	24.6	Very low	26.9	Very low	139 Å²	139	153 Å²	153	84%	0.842	80%	0.797	S	S	*	*			trans	83.4	127.7	165.9	-163.4	0	0	0	0	119
752	D	25.4	Very low	27.1	Very low	142 Å²	142	154 Å²	154	76%	0.759	80%	0.8	S	S	*	*			trans	-123.4	137.9	165.3	175.7	38.7	0	0	0	106.4	K754	D752-K754 PolarHBondContact OD1-N 3.18Å
753	P	38.8	Very low	27.2	Very low	101 Å²	101	151.5 Å²	151.5	66%	0.656	80%	0.796	S	S	*	*				-156.1	135.2	98.1	36.9	-15.8	0	0	0	118.4
754	K	26.6	Very low	27.3	Very low	185 Å²	185	147.2 Å²	147.2	80%	0.804	79%	0.792	S	S	*	*			trans	66.4	171.7	143.8	-72.5	-175.5	171.5	-179.5	0	121	D752	D752-K754 PolarHBondContact OD1-N 3.18Å
755	I	26.5	Very low	27.5	Very low	157 Å²	157	149.7 Å²	149.7	81%	0.805	79%	0.793	S	S	*	*			trans	81.1	127.9	171.2	-58.6	176.2	0	0	0	113.8
756	D	25.9	Very low	27.5	Very low	146 Å²	146	149.7 Å²	149.7	78%	0.781	80%	0.799	S	S	*	*			cis	-148.8	175.2	-10.4	-135.4	-37.7	0	0	0	112.6
757	A	34.2	Very low	27.7	Very low	92 Å²	92	147.6 Å²	147.6	76%	0.76	80%	0.799	S	S	*	*			trans	-96.1	87.2	-178.6	0	0	0	0	0	114
758	D	30.2	Very low	27.8	Very low	138 Å²	138	142.7 Å²	142.7	74%	0.738	80%	0.797	S	S	*	*			trans	-148.7	8.7	171.5	-140	-4.1	0	0	0	116
759	F	28.6	Very low	28.4	Very low	197 Å²	197	143.3 Å²	143.3	86%	0.864	80%	0.798	S	S	*	*	S	Bend	trans	-101.2	5.7	-167.7	-142.6	-98	0	0	0	116.5
760	L	32.3	Very low	28.5	Very low	183 Å²	183	147.7 Å²	147.7	96%	0.958	81%	0.808	S	S	*	*	S	Bend	trans	-112.5	17.8	-176	-67.5	178.5	0	0	0	114.5
761	S	29.9	Very low	28.8	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	81%	0.808	S	S	*	*	S	Bend	trans	-99.1	-5.7	-179.8	53.2	0	0	0	0	114.4
762	A	30	Very low	29.1	Very low	81 Å²	81	143.6 Å²	143.6	67%	0.669	80%	0.801	S	S	*	*	S	Bend	trans	-110.4	-4.6	-157.9	0	0	0	0	0	117.5
763	L	29.3	Very low	29.2	Very low	155 Å²	155	140.8 Å²	140.8	81%	0.812	81%	0.806	S	S	*	*			trans	-127.3	72.2	-175.9	-69.7	177.5	0	0	0	112.6	Y765	L763-Y765 PolarHBondContact O-N 2.92Å
764	G	25.7	Very low	28.8	Very low	80 Å²	80	141.7 Å²	141.7	83%	0.825	80%	0.802	S	S	*	*			trans	-71.7	119.9	174	0	0	0	0	0	112.7
765	Y	27.4	Very low	29.1	Very low	221 Å²	221	138.6 Å²	138.6	87%	0.867	80%	0.795	S	S	*	*			trans	-125	137.6	164.8	-82.7	-82.2	0	0	0	110	L763	L763-Y765 PolarHBondContact O-N 2.92Å
766	T	24.1	Very low	29.7	Very low	144 Å²	144	139.4 Å²	139.4	88%	0.883	80%	0.795	S	S	*	*			trans	-88.5	161.8	-170.3	50.3	0	0	0	0	113.7
767	E	28.4	Very low	30.8	Very low	187 Å²	187	135.6 Å²	135.6	87%	0.874	78%	0.78	S	S	*	*			trans	-60.3	145.3	-175.2	-54.2	174.9	121.2	0	0	115.3
768	S	24.6	Very low	31.3	Very low	117 Å²	117	135.7 Å²	135.7	82%	0.818	77%	0.767	S	S	*	*			trans	-161.9	146.9	132	-88.4	0	0	0	0	111.6
769	P	35.3	Very low	31.8	Very low	124 Å²	124	130.9 Å²	130.9	81%	0.805	75%	0.747	S	S	*	*			trans	-86.6	163.4	-163.5	34.6	-37.9	0	0	0	114.1
770	R	28	Very low	33.2	Very low	246 Å²	246	123.9 Å²	123.9	93%	0.928	73%	0.726	S	S	*	*			trans	-132.1	93.4	164.9	-73.3	-167.5	174.5	-169.7	-1.1	112.5
771	V	28.2	Very low	34.4	Very low	136 Å²	136	117.9 Å²	117.9	82%	0.824	69%	0.694	S	S	*	*			trans	46.6	108.9	145	-171.3	0	0	0	0	117
772	A	32.3	Very low	35.8	Very low	84 Å²	84	119.1 Å²	119.1	69%	0.694	69%	0.689	S	S	*	*			trans	-68.9	128.7	164.3	0	0	0	0	0	111.3	M774	A772-M774 HydrophobicContact CB-CB 4.31Å
773	G	27.8	Very low	37.3	Very low	83 Å²	83	118.2 Å²	118.2	86%	0.856	68%	0.682	S	S	*	*			trans	-94.7	94.2	148.2	0	0	0	0	0	106.8
774	M	30.6	Very low	38.8	Very low	119 Å²	119	114.3 Å²	114.3	59%	0.586	66%	0.66	S	S	*	*			trans	-98.9	104.2	-173.1	-154	160.1	173.2	0	0	107.9	A772 H776 A779	A772-M774 HydrophobicContact CB-CB 4.31Å; M774-H776 PolarHBondContact O-N 2.95Å; M774-A779 HydrophobicContact CE-CB 4.09Å; M774-A779 HydrophobicContact CG-CB 4.45Å
775	D	31.1	Very low	40.5	Very low	120 Å²	120	111.9 Å²	111.9	64%	0.642	63%	0.632	S	S	*	*			trans	-63.1	135.5	178.8	-95.4	-47.9	0	0	0	110.4	S777 D778	D775-S777 PolarHBondContact O-N 2.8Å; D775-S777 VanDerWaalsContact O-N 3.09Å; D775-D778 PolarHBondContact O-N 2.82Å
776	H	39.8	Very low	42.1	Very low	175 Å²	175	109.6 Å²	109.6	81%	0.81	63%	0.629	S	S	*	*	H	α-helix	trans	-64.2	-18.3	-172.7	-77.6	-61.8	0	0	0	113.5	M774 A780	M774-H776 PolarHBondContact O-N 2.95Å; H776-A780 VanDerWaalsContact O-CB 3.27Å; H776-A780 WeakPolarHBondContact O-CB 3.35Å; H776-A780 PolarHBondContact O-N 3.45Å
777	S	48.4	Very low	44.4	Very low	66 Å²	66	105.3 Å²	105.3	46%	0.462	60%	0.601	S	S	.	*	H	α-helix	trans	-65.6	-41.7	171.9	53.2	0	0	0	0	112.4	D775 A780 N781	D775-S777 PolarHBondContact O-N 2.8Å; D775-S777 VanDerWaalsContact O-N 3.09Å; S777-A780 PolarHBondContact O-N 2.97Å; S777-N781 WeakPolarHBondContact O-CB 3.37Å; S777-N781 PolarHBondContact O-N 2.97Å; S777-N781 PolarHBondContact O-ND2 3.22Å
778	D	44.8	Very low	46.1	Very low	93 Å²	93	99.6 Å²	99.6	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-84.9	-41.6	-164.2	-68.4	5.5	0	0	0	110.1	D775 A780 N781 E782	D775-D778 PolarHBondContact O-N 2.82Å; D778-A780 PolarHBondContact O-N 2.91Å; D778-N781 PolarHBondContact O-N 3.2Å; D778-N781 VanDerWaalsContact O-N 3.14Å; D778-E782 WeakPolarHBondContact O-CG 3.25Å; D778-E782 PolarHBondContact O-N 3.04Å
779	A	41.9	Very low	48.4	Very low	38 Å²	38	96.9 Å²	96.9	31%	0.314	56%	0.555	S	S	.	*	H	α-helix	trans	-59.7	-33.1	168.3	0	0	0	0	0	112.5	M774 A783	M774-A779 HydrophobicContact CE-CB 4.09Å; M774-A779 HydrophobicContact CG-CB 4.45Å; A779-A783 WeakPolarHBondContact O-CB 3.38Å; A779-A783 PolarHBondContact O-N 2.86Å; A779-A783 VanDerWaalsContact O-N 3.1Å
780	A	58	Low	51	Low	50 Å²	50	91.1 Å²	91.1	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-72.4	-42.2	173.6	0	0	0	0	0	111.9	H776 S777 D778 A783 M784	H776-A780 VanDerWaalsContact O-CB 3.27Å; H776-A780 WeakPolarHBondContact O-CB 3.35Å; H776-A780 PolarHBondContact O-N 3.45Å; S777-A780 PolarHBondContact O-N 2.97Å; D778-A780 PolarHBondContact O-N 2.91Å; A780-A783 PolarHBondContact O-N 2.82Å; A780-M784 WeakPolarHBondContact O-CB 3.22Å; A780-M784 WeakPolarHBondContact O-CG 3.45Å; A780-M784 PolarHBondContact O-N 2.82Å
781	N	57.2	Low	54.2	Low	57 Å²	57	79.4 Å²	79.4	31%	0.305	47%	0.473	S	S	.	.	H	α-helix	trans	-63.9	-37.2	175.3	-79.9	-47.8	0	0	0	112.5	Y531 S777 D778 M784 A785	Y531-N781 HydrophobicContact CE2-CB 4.32Å; Y531-N781 WeakPolarHBondContact CE2-O 3.4Å; S777-N781 WeakPolarHBondContact O-CB 3.37Å; S777-N781 PolarHBondContact O-N 2.97Å; S777-N781 PolarHBondContact O-ND2 3.22Å; D778-N781 PolarHBondContact O-N 3.2Å; D778-N781 VanDerWaalsContact O-N 3.14Å; N781-M784 PolarHBondContact O-N 3.19Å; N781-A785 PolarHBondContact O-N 3.25Å; N781-A785 VanDerWaalsContact O-N 3.08Å
782	E	59.3	Low	57.5	Low	125 Å²	125	74.5 Å²	74.5	58%	0.584	44%	0.439	S	S	*	.	H	α-helix	trans	-66.4	-48.3	173.5	-72.7	-178	153.4	0	0	111.1	D778 M784 A785 E786	D778-E782 WeakPolarHBondContact O-CG 3.25Å; D778-E782 PolarHBondContact O-N 3.04Å; E782-M784 PolarHBondContact O-N 3.43Å; E782-A785 WeakPolarHBondContact O-CA 3.43Å; E782-A785 WeakPolarHBondContact O-CB 3.48Å; E782-A785 PolarHBondContact O-N 2.81Å; E782-E786 PolarHBondContact O-N 3.12Å
783	A	60.6	Low	60.6	Low	62 Å²	62	70.7 Å²	70.7	51%	0.512	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-29.8	175	0	0	0	0	0	113.3	A779 A780 A785	A779-A783 WeakPolarHBondContact O-CB 3.38Å; A779-A783 PolarHBondContact O-N 2.86Å; A779-A783 VanDerWaalsContact O-N 3.1Å; A780-A783 PolarHBondContact O-N 2.82Å; A783-A785 VanDerWaalsContact C-N 3.35Å
784	M	62.1	Low	63.9	Low	74 Å²	74	66.9 Å²	66.9	37%	0.365	37%	0.368	S	S	.	.	H	α-helix	trans	-73.9	-23.9	172	-65.8	-92.1	80.7	0	0	112.8	Y531 T533 A780 N781 E782 N790	Y531-M784 HydrophobicContact CD2-CB 3.93Å; Y531-M784 HydrophobicContact CG-CB 4.23Å; T533-M784 HydrophobicContact CG2-CE 3.67Å; T533-M784 HydrophobicContact CG2-SD 3.5Å; T533-M784 WeakPolarHBondContact CG2-SD 3.46Å; A780-M784 WeakPolarHBondContact O-CB 3.22Å; A780-M784 WeakPolarHBondContact O-CG 3.45Å; A780-M784 PolarHBondContact O-N 2.82Å; N781-M784 PolarHBondContact O-N 3.19Å; E782-M784 PolarHBondContact O-N 3.43Å; M784-N790 PolarHBondContact O-ND2 3.37Å
785	A	60.7	Low	67.2	Low	29 Å²	29	61.3 Å²	61.3	24%	0.24	34%	0.34	C	S	.	.	H	α-helix	trans	-77.5	-21.4	176.8	0	0	0	0	0	113	Y531 N781 E782 A783 N853	Y531-A785 HydrophobicContact CE1-CB 4.21Å; Y531-A785 HydrophobicContact CE2-CB 4.18Å; Y531-A785 WeakPolarHBondContact OH-CB 3.36Å; N781-A785 PolarHBondContact O-N 3.25Å; N781-A785 VanDerWaalsContact O-N 3.08Å; E782-A785 WeakPolarHBondContact O-CA 3.43Å; E782-A785 WeakPolarHBondContact O-CB 3.48Å; E782-A785 PolarHBondContact O-N 2.81Å; A783-A785 VanDerWaalsContact C-N 3.35Å; A785-N853 PolarHBondContact O-ND2 3.11Å
786	E	61.7	Low	70.4	Confident	172 Å²	172	55.6 Å²	55.6	80%	0.804	31%	0.31	S	S	*	.	S	Bend	trans	-77.2	-18.4	-178.6	-66.6	-165.5	151.1	0	0	114.6	E782 P788	E782-E786 PolarHBondContact O-N 3.12Å; E786-P788 WeakPolarHBondContact O-CD 3.4Å
787	D	70.9	Confident	73.2	Confident	54 Å²	54	47.2 Å²	47.2	29%	0.289	27%	0.271	S	S	.	.			trans	-84.5	115.1	175.6	-170.6	-22	0	0	0	111	Q789 N790	D787-Q789 PolarHBondContact O-N 2.99Å; D787-Q789 VanDerWaalsContact O-N 3.17Å; D787-Q789 WeakPolarHBondContact OD1-CB 3.32Å; D787-Q789 PolarHBondContact OD1-N 2.8Å; D787-N790 WeakPolarHBondContact O-CB 3.42Å; D787-N790 PolarHBondContact O-N 2.94Å
788	P	65.3	Low	75.5	Confident	68 Å²	68	44.1 Å²	44.1	44%	0.442	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.6	-179.7	29.9	-36.8	0	0	0	114.1	E786 Q852 E854	E786-P788 WeakPolarHBondContact O-CD 3.4Å; P788-Q852 WeakPolarHBondContact O-CG 3.34Å; P788-Q852 PolarHBondContact O-NE2 3.49Å; P788-E854 HydrophobicContact CB-CB 4.32Å
789	Q	72.1	Confident	78	Confident	60 Å²	60	39.7 Å²	39.7	28%	0.28	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-12.7	172.3	-63.4	-178	80.4	0	0	113.1	V534 D787 Y791	V534-Q789 VanDerWaalsContact CG2-O 3.28Å; V534-Q789 WeakPolarHBondContact CG2-O 3.14Å; D787-Q789 PolarHBondContact O-N 2.99Å; D787-Q789 VanDerWaalsContact O-N 3.17Å; D787-Q789 WeakPolarHBondContact OD1-CB 3.32Å; D787-Q789 PolarHBondContact OD1-N 2.8Å; Q789-Y791 WeakPolarHBondContact O-CD2 3.44Å; Q789-Y791 WeakPolarHBondContact O-CE2 3.43Å
790	N	90	Very high	80.4	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.011	23%	0.225	C	C	.	.	S	Bend	trans	-71.9	157.2	173.5	-72.5	-14.6	0	0	0	111	L532 T533 M784 D787 N853	L532-N790 WeakPolarHBondContact O-CA 3.43Å; T533-N790 WeakPolarHBondContact CA-OD1 3.31Å; T533-N790 WeakPolarHBondContact CG2-OD1 3.3Å; M784-N790 PolarHBondContact O-ND2 3.37Å; D787-N790 WeakPolarHBondContact O-CB 3.42Å; D787-N790 PolarHBondContact O-N 2.94Å; N790-N853 VanDerWaalsContact O-CB 3.29Å; N790-N853 WeakPolarHBondContact O-CB 3.47Å; N790-N853 PolarHBondContact O-N 3.24Å
791	Y	96.3	Very high	81.9	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.3	178.4	-72.6	-111.7	0	0	0	110.1	L500 P501 L504 Y531 L532 V534 Q789 Y850 M851 Q852	L500-Y791 WeakPolarHBondContact CB-OH 3.46Å; P501-Y791 HydrophobicContact CG-CE1 4.38Å; P501-Y791 VanDerWaalsContact O-CE1 3.31Å; P501-Y791 WeakPolarHBondContact O-CE1 3.48Å; P501-Y791 PolarHBondContact O-OH 3.04Å; L504-Y791 HydrophobicContact CB-CD1 3.94Å; L504-Y791 HydrophobicContact CB-CE1 3.97Å; Y531-Y791 CarbonylContact C-O 3.49Å; Y531-Y791 WeakPolarHBondContact CA-O 3.2Å; L532-Y791 PolarHBondContact N-O 3.08Å; L532-Y791 PolarHBondContact O-N 3.01Å; V534-Y791 HydrophobicContact CG1-CD2 4.21Å; V534-Y791 HydrophobicContact CG1-CE2 4.31Å; V534-Y791 HydrophobicContact CG2-CD2 4.05Å; V534-Y791 HydrophobicContact CG2-CE2 3.77Å; Q789-Y791 WeakPolarHBondContact O-CD2 3.44Å; Q789-Y791 WeakPolarHBondContact O-CE2 3.43Å; Y791-Y850 WeakPolarHBondContact CD1-O 3.5Å; Y791-M851 CarbonylContact C-O 3.58Å; Y791-M851 WeakPolarHBondContact CA-O 3.31Å; Y791-M851 VanDerWaalsContact CD1-C 3.42Å; Y791-Q852 HydrophobicContact CD1-CB 4.31Å; Y791-Q852 VanDerWaalsContact CD1-N 3.26Å; Y791-Q852 HydrophobicContact CE1-CB 3.92Å
792	R	96.4	Very high	83	Confident	32 Å²	32	40.8 Å²	40.8	12%	0.121	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.6	177.6	-172.5	174.2	177.3	159.3	-0.4	110.7	Y531 V794 Y850 M851 F856 E857	Y531-R792 HydrophobicContact CD1-CB 3.94Å; Y531-R792 HydrophobicContact CD1-CG 4.09Å; Y531-R792 HydrophobicContact CE1-CB 3.86Å; Y531-R792 HydrophobicContact CE1-CG 3.71Å; R792-V794 PolarHBondContact O-N 3.14Å; R792-Y850 CarbonylContact O-C 3.48Å; R792-Y850 WeakPolarHBondContact O-CA 3.4Å; R792-M851 PolarHBondContact N-O 3.13Å; R792-M851 PolarHBondContact O-N 3.01Å; R792-F856 HydrophobicContact CB-CD2 4.46Å; R792-F856 HydrophobicContact CB-CG 4.44Å; R792-F856 HydrophobicContact CG-CD2 4.43Å; R792-F856 HydrophobicContact CG-CE2 4.47Å; R792-F856 VanDerWaalsContact CZ-CE1 3.41Å; R792-E857 IonicContact NH1-OE1 2.81Å; R792-E857 PolarHBondContact NH1-OE1 2.89Å
793	L	97.8	Very high	84	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	131.6	176.3	-169.5	75.7	0	0	0	110.7	I528 K530 V796 W821 F848 Y850	I528-L793 HydrophobicContact CG2-CD1 4.28Å; I528-L793 HydrophobicContact CG2-CD2 3.76Å; K530-L793 PolarHBondContact O-N 3.13Å; L793-V796 HydrophobicContact CD1-CG2 3.98Å; L793-V796 HydrophobicContact CD2-CG2 3.84Å; L793-V796 HydrophobicContact CG-CG2 4.24Å; L793-W821 HydrophobicContact CB-CH2 4.35Å; L793-W821 HydrophobicContact CB-CZ2 4.45Å; L793-W821 HydrophobicContact CD2-CH2 3.93Å; L793-W821 HydrophobicContact CD2-CZ2 4.21Å; L793-W821 HydrophobicContact CG-CH2 3.81Å; L793-W821 HydrophobicContact CG-CZ2 4.3Å; L793-W821 WeakPolarHBondContact O-CZ2 3.32Å; L793-F848 HydrophobicContact CD1-CB 4.44Å; L793-F848 HydrophobicContact CD1-CD1 4.27Å; L793-Y850 HydrophobicContact CB-CD1 4.07Å; L793-Y850 HydrophobicContact CB-CE1 3.76Å; L793-Y850 HydrophobicContact CD1-CD1 4.09Å; L793-Y850 HydrophobicContact CD1-CD2 4.16Å; L793-Y850 HydrophobicContact CD1-CE1 3.57Å; L793-Y850 HydrophobicContact CD1-CE2 3.68Å; L793-Y850 HydrophobicContact CD1-CG 4.35Å; L793-Y850 HydrophobicContact CG-CE1 4.27Å
794	V	97.9	Very high	84.6	Confident	3 Å²	3	37 Å²	37	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-12.2	176.9	-66.2	0	0	0	0	114.1	I314 R792 Y814 F816 W821 F849 M851 F856	I314-V794 HydrophobicContact CD1-CG2 3.71Å; R792-V794 PolarHBondContact O-N 3.14Å; V794-Y814 PolarHBondContact O-N 3.43Å; V794-F816 HydrophobicContact CG1-CZ 4.12Å; V794-W821 VanDerWaalsContact C-CH2 3.43Å; V794-F849 HydrophobicContact CG2-CB 4.02Å; V794-F849 VanDerWaalsContact CG2-O 3.29Å; V794-F849 WeakPolarHBondContact CG2-O 3.48Å; V794-F849 PolarHBondContact N-O 3.07Å; V794-M851 HydrophobicContact CB-CB 4.49Å; V794-M851 HydrophobicContact CG1-CB 3.68Å; V794-M851 HydrophobicContact CG1-CE 4.42Å; V794-M851 HydrophobicContact CG2-CB 3.95Å; V794-F856 HydrophobicContact CG1-CD2 3.62Å; V794-F856 HydrophobicContact CG1-CE2 3.89Å
795	G	98.3	Very high	85.3	Confident	1 Å²	1	38 Å²	38	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	147.5	175.2	0	0	0	0	0	113.7	D812 F849	G795-D812 CarbonylContact C-O 3.53Å; G795-D812 WeakPolarHBondContact CA-O 3.41Å; G795-F849 PolarHBondContact N-O 2.88Å; G795-F849 VanDerWaalsContact N-O 3.1Å; G795-F849 PolarHBondContact O-N 3.16Å
796	V	98.6	Very high	86.5	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	116.3	172.8	-171.4	0	0	0	0	109.6	L793 D812 I837 R841 F848	L793-V796 HydrophobicContact CD1-CG2 3.98Å; L793-V796 HydrophobicContact CD2-CG2 3.84Å; L793-V796 HydrophobicContact CG-CG2 4.24Å; V796-D812 HydrophobicContact CB-CB 4.28Å; V796-D812 PolarHBondContact N-O 3.14Å; V796-D812 PolarHBondContact O-N 2.91Å; V796-I837 HydrophobicContact CB-CG2 4.43Å; V796-I837 HydrophobicContact CG2-CG2 4.01Å; V796-R841 HydrophobicContact CG1-CB 4.44Å; V796-F848 HydrophobicContact CB-CD1 4.46Å; V796-F848 HydrophobicContact CG1-CD1 3.88Å; V796-F848 HydrophobicContact CG1-CE1 3.68Å; V796-F848 HydrophobicContact CG1-CZ 4.32Å; V796-F848 HydrophobicContact CG2-CD1 3.97Å; V796-F848 HydrophobicContact CG2-CE1 4.32Å
797	V	98.6	Very high	87.9	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.2	166.8	174.8	0	0	0	0	108.3	I307 S310 A381 Y809 V810 Y846 I847 F849	I307-V797 HydrophobicContact CD1-CG2 4.3Å; S310-V797 VanDerWaalsContact OG-CG2 3.31Å; S310-V797 WeakPolarHBondContact OG-CG2 3.39Å; A381-V797 HydrophobicContact CB-CG1 4.48Å; V797-Y809 HydrophobicContact CG1-CD1 4.12Å; V797-V810 WeakPolarHBondContact CA-O 3.44Å; V797-Y846 PolarHBondContact O-N 3.37Å; V797-I847 HydrophobicContact CB-CB 4.22Å; V797-I847 PolarHBondContact N-O 3.49Å; V797-I847 PolarHBondContact O-N 2.84Å; V797-F849 HydrophobicContact CG2-CE2 4.11Å
798	S	97.8	Very high	89	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.6	-173.7	-61.5	0	0	0	0	111.1	Y809 V810 R841 T844 G845	S798-Y809 WeakPolarHBondContact O-CA 3.47Å; S798-V810 PolarHBondContact N-O 3.41Å; S798-V810 PolarHBondContact O-N 3.27Å; S798-R841 VanDerWaalsContact OG-CD 3.3Å; S798-R841 WeakPolarHBondContact OG-CD 3.47Å; S798-R841 WeakPolarHBondContact OG-CG 3.33Å; S798-T844 CarbonylContact C-O 3.44Å; S798-T844 WeakPolarHBondContact CA-O 3.2Å; S798-G845 WeakPolarHBondContact OG-CA 3.48Å
799	H	95.9	Very high	90.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.8	179.7	-175.8	-157	0	0	0	111.5	Y511 K521 G801 S803 H808 Y809 T844	Y511-H799 PolarHBondContact OH-CE1 3.49Å; Y511-H799 PolarHBondContact OH-ND1 3.12Å; K521-H799 VanDerWaalsContact NZ-CG 3.3Å; K521-H799 PolarHBondContact NZ-ND1 3.13Å; K521-H799 VanDerWaalsContact NZ-ND1 3.17Å; K521-H799 PolarHBondContact NZ-O 3.47Å; H799-G801 PolarHBondContact O-N 3.43Å; H799-S803 PolarHBondContact CE1-O 2.85Å; H799-S803 VanDerWaalsContact CE1-O 3.29Å; H799-H808 PolarHBondContact CD2-O 3.38Å; H799-Y809 HydrophobicContact CB-CD1 3.72Å; H799-Y809 HydrophobicContact CB-CE1 3.54Å; H799-Y809 HydrophobicContact CB-CG 4.41Å; H799-Y809 AromaticContact CD2-CD2 3.84Å; H799-Y809 AromaticContact CD2-CE2 3.76Å; H799-Y809 AromaticContact CD2-CZ 3.88Å; H799-Y809 AromaticContact CE1-CZ 3.99Å; H799-Y809 AromaticContact CG-CE1 3.65Å; H799-Y809 AromaticContact CG-CZ 3.65Å; H799-Y809 AromaticContact ND1-CZ 3.72Å; H799-Y809 AromaticContact NE2-CE2 3.84Å; H799-T844 PolarHBondContact N-O 3.04Å; H799-T844 WeakPolarHBondContact O-CB 3.48Å
800	F	93.5	Very high	91.8	Very high	68 Å²	68	25.1 Å²	25.1	30%	0.298	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	78.6	170.8	-63.9	-83.2	0	0	0	110	L281 G807 H808 V810 T844	L281-F800 HydrophobicContact CD2-CE1 4.29Å; L281-F800 HydrophobicContact CD2-CZ 4.26Å; F800-G807 CarbonylContact O-C 3.59Å; F800-G807 WeakPolarHBondContact O-CA 3.42Å; F800-H808 PolarHBondContact N-O 3.36Å; F800-H808 PolarHBondContact O-N 2.92Å; F800-V810 HydrophobicContact CD2-CG1 4.22Å; F800-V810 HydrophobicContact CD2-CG2 4.32Å; F800-V810 HydrophobicContact CE2-CG1 4.14Å; F800-V810 HydrophobicContact CE2-CG2 3.65Å; F800-T844 HydrophobicContact CD1-CG2 3.78Å; F800-T844 HydrophobicContact CE1-CG2 3.85Å; F800-T844 HydrophobicContact CG-CG2 4.45Å
801	G	88.6	Confident	92.2	Very high	16 Å²	16	25 Å²	25	17%	0.165	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	163.3	-173.2	0	0	0	0	0	112.3	K521 H799 S806	K521-G801 VanDerWaalsContact CD-O 3.31Å; K521-G801 WeakPolarHBondContact CD-O 3.4Å; K521-G801 PolarHBondContact NZ-O 3.42Å; H799-G801 PolarHBondContact O-N 3.43Å; G801-S806 CarbonylContact C-O 3.53Å; G801-S806 WeakPolarHBondContact CA-O 3.49Å
802	S	81.1	Confident	92.3	Very high	84 Å²	84	25 Å²	25	59%	0.587	15%	0.147	S	C	*	.	S	Bend	trans	-112.8	-27.6	-175.3	74.3	0	0	0	0	114.1	K521 S806	K521-S802 WeakPolarHBondContact CB-O 3.37Å; S802-S806 PolarHBondContact N-O 2.91Å; S802-S806 VanDerWaalsContact N-O 3.15Å
803	S	79.9	Confident	92.3	Very high	27 Å²	27	23.8 Å²	23.8	19%	0.189	14%	0.143	C	C	.	.	S	Bend	trans	-112.9	-169	163.9	72.1	0	0	0	0	110.1	H799 D805 S806	H799-S803 PolarHBondContact CE1-O 2.85Å; H799-S803 VanDerWaalsContact CE1-O 3.29Å; S803-D805 WeakPolarHBondContact CB-OD2 3.36Å; S803-D805 PolarHBondContact OG-N 3.31Å; S803-D805 PolarHBondContact OG-OD2 3.37Å; S803-S806 PolarHBondContact OG-N 3.13Å; S803-S806 PolarHBondContact OG-OG 3.49Å
804	Q	73.7	Confident	92.3	Very high	80 Å²	80	24.3 Å²	24.3	37%	0.374	15%	0.145	S	C	.	.	S	Bend	trans	-80.5	-27.1	168.2	68.8	-172.7	9.2	0	0	111.5	Y511 L519	Y511-Q804 HydrophobicContact CE1-CB 4.2Å; L519-Q804 HydrophobicContact CD2-CG 4.45Å
805	D	76.9	Confident	92	Very high	97 Å²	97	25.4 Å²	25.4	52%	0.519	15%	0.151	S	C	.	.	S	Bend	trans	-101	9.3	-170.9	9.7	-118.7	0	0	0	112.2	S803	S803-D805 WeakPolarHBondContact CB-OD2 3.36Å; S803-D805 PolarHBondContact OG-N 3.31Å; S803-D805 PolarHBondContact OG-OD2 3.37Å
806	S	84.3	Confident	91.6	Very high	50 Å²	50	25.6 Å²	25.6	35%	0.35	15%	0.151	S	C	.	.	S	Bend	trans	-153.8	117.2	175.5	60	0	0	0	0	113.6	Q378 G801 S802 S803	Q378-S806 VanDerWaalsContact OE1-C 3.24Å; G801-S806 CarbonylContact C-O 3.53Å; G801-S806 WeakPolarHBondContact CA-O 3.49Å; S802-S806 PolarHBondContact N-O 2.91Å; S802-S806 VanDerWaalsContact N-O 3.15Å; S803-S806 PolarHBondContact OG-N 3.13Å; S803-S806 PolarHBondContact OG-OG 3.49Å
807	G	91.2	Very high	90.9	Very high	25 Å²	25	26.8 Å²	26.8	26%	0.258	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	156.7	-163.3	175	0	0	0	0	0	113.6	Q378 F800	Q378-G807 PolarHBondContact NE2-O 3.37Å; Q378-G807 PolarHBondContact OE1-O 3.09Å; F800-G807 CarbonylContact O-C 3.59Å; F800-G807 WeakPolarHBondContact O-CA 3.42Å
808	H	95.8	Very high	90.3	Very high	29 Å²	29	30.9 Å²	30.9	13%	0.134	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.6	175.5	-178.3	41	0	0	0	111.7	C302 H799 F800 S825 D826	C302-H808 WeakPolarHBondContact CB-ND1 3.3Å; H799-H808 PolarHBondContact CD2-O 3.38Å; F800-H808 PolarHBondContact N-O 3.36Å; F800-H808 PolarHBondContact O-N 2.92Å; H808-S825 PolarHBondContact NE2-OG 2.84Å; H808-D826 IonicContact CE1-OD2 3.53Å; H808-D826 PolarHBondContact CE1-OD2 2.91Å; H808-D826 VanDerWaalsContact CE1-OD2 3.26Å
809	Y	97.8	Very high	90	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.9	177.4	-71.4	-95.2	0	0	0	111.5	C302 S306 A381 V797 S798 H799 Y846	C302-Y809 PolarHBondContact SG-N 3.19Å; S306-Y809 WeakPolarHBondContact OG-CB 3.5Å; A381-Y809 HydrophobicContact CB-CD1 3.75Å; A381-Y809 HydrophobicContact CB-CE1 3.45Å; A381-Y809 VanDerWaalsContact CB-CE1 3.45Å; A381-Y809 HydrophobicContact CB-CG 4.47Å; V797-Y809 HydrophobicContact CG1-CD1 4.12Å; S798-Y809 WeakPolarHBondContact O-CA 3.47Å; H799-Y809 HydrophobicContact CB-CD1 3.72Å; H799-Y809 HydrophobicContact CB-CE1 3.54Å; H799-Y809 HydrophobicContact CB-CG 4.41Å; H799-Y809 AromaticContact CD2-CD2 3.84Å; H799-Y809 AromaticContact CD2-CE2 3.76Å; H799-Y809 AromaticContact CD2-CZ 3.88Å; H799-Y809 AromaticContact CE1-CZ 3.99Å; H799-Y809 AromaticContact CG-CE1 3.65Å; H799-Y809 AromaticContact CG-CZ 3.65Å; H799-Y809 AromaticContact ND1-CZ 3.72Å; H799-Y809 AromaticContact NE2-CE2 3.84Å; Y809-Y846 HydrophobicContact CE1-CD1 4.02Å; Y809-Y846 HydrophobicContact CE1-CE1 4.42Å
810	V	97.9	Very high	89.8	Confident	4 Å²	4	38 Å²	38	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	165.5	172.4	-50.3	0	0	0	0	111	V797 S798 F800 L823 Y824	V797-V810 WeakPolarHBondContact CA-O 3.44Å; S798-V810 PolarHBondContact N-O 3.41Å; S798-V810 PolarHBondContact O-N 3.27Å; F800-V810 HydrophobicContact CD2-CG1 4.22Å; F800-V810 HydrophobicContact CD2-CG2 4.32Å; F800-V810 HydrophobicContact CE2-CG1 4.14Å; F800-V810 HydrophobicContact CE2-CG2 3.65Å; V810-L823 HydrophobicContact CB-CD1 3.67Å; V810-L823 HydrophobicContact CG1-CD1 4.3Å; V810-L823 HydrophobicContact CG2-CD1 3.61Å; V810-Y824 WeakPolarHBondContact CA-O 3.36Å; V810-Y824 WeakPolarHBondContact CB-O 3.5Å
811	S	98.2	Very high	89.9	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112.7	179.1	-148.9	0	0	0	0	110.2	S306 S310 Y824	S306-S811 VanDerWaalsContact O-CB 3.31Å; S306-S811 WeakPolarHBondContact O-CB 3.46Å; S306-S811 PolarHBondContact O-OG 3.08Å; S310-S811 PolarHBondContact N-OG 2.7Å; S310-S811 PolarHBondContact OG-OG 3.48Å; S811-Y824 PolarHBondContact N-O 3.49Å; S811-Y824 PolarHBondContact O-N 3.12Å
812	D	98.3	Very high	90.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124.2	167.4	-56.4	-77.6	0	0	0	108.3	G795 V796 W821 L822 I837 R841	G795-D812 CarbonylContact C-O 3.53Å; G795-D812 WeakPolarHBondContact CA-O 3.41Å; V796-D812 HydrophobicContact CB-CB 4.28Å; V796-D812 PolarHBondContact N-O 3.14Å; V796-D812 PolarHBondContact O-N 2.91Å; D812-W821 HydrophobicContact CB-CE3 4.48Å; D812-L822 CarbonylContact C-O 3.44Å; D812-L822 WeakPolarHBondContact CA-O 3.38Å; D812-I837 HydrophobicContact CB-CD1 3.82Å; D812-I837 HydrophobicContact CB-CG1 4.13Å; D812-I837 HydrophobicContact CB-CG2 4.11Å; D812-R841 IonicContact OD1-CZ 2.7Å; D812-R841 IonicContact OD1-NE 3.71Å; D812-R841 IonicContact OD1-NH2 3.47Å; D812-R841 PolarHBondContact OD1-NH2 2.97Å; D812-R841 IonicContact OD2-CZ 2.67Å; D812-R841 IonicContact OD2-NE 3.53Å; D812-R841 PolarHBondContact OD2-NE 3.41Å; D812-R841 IonicContact OD2-NH2 3.97Å; D812-R841 PolarHBondContact OD2-NH2 2.64Å
813	V	97.2	Very high	91	Very high	8 Å²	8	30.4 Å²	30.4	5%	0.048	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.9	-170.8	-176.8	0	0	0	0	111.2	D815 W821 L822 Y824	V813-D815 PolarHBondContact O-N 3.25Å; V813-W821 VanDerWaalsContact C-CE3 3.43Å; V813-W821 WeakPolarHBondContact O-CA 3.42Å; V813-L822 PolarHBondContact N-O 3.26Å; V813-L822 PolarHBondContact O-N 3.25Å; V813-Y824 HydrophobicContact CB-CD2 4.39Å; V813-Y824 HydrophobicContact CB-CE2 4.1Å; V813-Y824 HydrophobicContact CG2-CD2 4.07Å; V813-Y824 HydrophobicContact CG2-CE2 4.18Å
814	Y	96.5	Very high	91.8	Very high	16 Å²	16	29.8 Å²	29.8	6%	0.063	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.8	175	-169.8	-102.3	0	0	0	111.9	V794 F816 R819 W821 F856	V794-Y814 PolarHBondContact O-N 3.43Å; Y814-F816 HydrophobicContact CD1-CD1 4.07Å; Y814-F816 HydrophobicContact CD1-CD2 4Å; Y814-F816 HydrophobicContact CD1-CE1 4.06Å; Y814-F816 AromaticContact CD1-CE2 3.99Å; Y814-F816 HydrophobicContact CD1-CE2 3.99Å; Y814-F816 HydrophobicContact CD1-CG 4.05Å; Y814-F816 HydrophobicContact CD1-CZ 4.02Å; Y814-F816 AromaticContact CE1-CD1 3.96Å; Y814-F816 HydrophobicContact CE1-CD1 3.96Å; Y814-F816 HydrophobicContact CE1-CE1 4.18Å; Y814-F816 HydrophobicContact CE1-CG 4.2Å; Y814-F816 WeakPolarHBondContact O-CD2 3.26Å; Y814-R819 WeakPolarHBondContact OH-CA 3.31Å; Y814-W821 AromaticContact CD2-CD1 3.83Å; Y814-W821 HydrophobicContact CD2-CD2 4.1Å; Y814-W821 AromaticContact CD2-CE2 3.76Å; Y814-W821 HydrophobicContact CD2-CG 4.15Å; Y814-W821 HydrophobicContact CD2-CZ2 4.3Å; Y814-W821 AromaticContact CD2-NE1 3.57Å; Y814-F856 AromaticContact CD1-CE2 3.6Å; Y814-F856 HydrophobicContact CD1-CE2 3.6Å; Y814-F856 AromaticContact CD1-CZ 3.9Å; Y814-F856 HydrophobicContact CD1-CZ 3.9Å; Y814-F856 AromaticContact CE1-CE2 3.62Å; Y814-F856 HydrophobicContact CE1-CE2 3.62Å; Y814-F856 AromaticContact CE1-CZ 3.41Å; Y814-F856 HydrophobicContact CE1-CZ 3.41Å; Y814-F856 VanDerWaalsContact CE1-CZ 3.41Å; Y814-F856 HydrophobicContact CG-CE2 4.28Å; Y814-F856 AromaticContact CZ-CZ 3.78Å
815	D	92.3	Very high	92.8	Very high	25 Å²	25	26.7 Å²	26.7	13%	0.134	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	118.9	177.3	-157.7	-122.6	0	0	0	106.6	R292 V813 Q817 R818 R819 A820 L822	R292-D815 IonicContact CZ-OD2 2.66Å; R292-D815 IonicContact NH1-OD1 2.7Å; R292-D815 IonicContact NH1-OD2 2.7Å; R292-D815 PolarHBondContact NH1-OD2 3.2Å; R292-D815 IonicContact NH2-OD2 3.71Å; V813-D815 PolarHBondContact O-N 3.25Å; D815-Q817 CarbonylContact C-O 3.4Å; D815-Q817 VanDerWaalsContact C-O 3.23Å; D815-Q817 CarbonylContact O-C 3.54Å; D815-R818 HydrophobicContact CB-CB 4.35Å; D815-R818 PolarHBondContact O-N 3.43Å; D815-R818 VanDerWaalsContact O-N 3.08Å; D815-R818 WeakPolarHBondContact OD1-CB 3.12Å; D815-R818 WeakPolarHBondContact OD1-CD 3.48Å; D815-R818 WeakPolarHBondContact OD1-CG 3.44Å; D815-R818 PolarHBondContact OD1-N 3.33Å; D815-R818 IonicContact OD1-NE 2.69Å; D815-R818 PolarHBondContact OD1-NE 3.1Å; D815-R819 WeakPolarHBondContact O-CA 3.5Å; D815-R819 PolarHBondContact O-N 2.9Å; D815-A820 WeakPolarHBondContact CB-O 3.45Å; D815-A820 PolarHBondContact N-O 2.99Å; D815-A820 PolarHBondContact O-N 2.7Å; D815-A820 VanDerWaalsContact O-N 3.17Å; D815-L822 HydrophobicContact CB-CD1 3.69Å; D815-L822 HydrophobicContact CB-CG 3.84Å; D815-L822 VanDerWaalsContact CG-CD1 3.44Å; D815-L822 WeakPolarHBondContact OD2-CD1 3.43Å
816	F	89.9	Confident	93.7	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.026	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-31.9	-156	-92.4	-91.1	0	0	0	120.4	P315 V794 Y814 R819 M851 F856 L859 A863 L886	P315-F816 HydrophobicContact CG-CD2 3.7Å; P315-F816 HydrophobicContact CG-CE2 3.97Å; P315-F816 HydrophobicContact CG-CG 4.33Å; V794-F816 HydrophobicContact CG1-CZ 4.12Å; Y814-F816 HydrophobicContact CD1-CD1 4.07Å; Y814-F816 HydrophobicContact CD1-CD2 4Å; Y814-F816 HydrophobicContact CD1-CE1 4.06Å; Y814-F816 AromaticContact CD1-CE2 3.99Å; Y814-F816 HydrophobicContact CD1-CE2 3.99Å; Y814-F816 HydrophobicContact CD1-CG 4.05Å; Y814-F816 HydrophobicContact CD1-CZ 4.02Å; Y814-F816 AromaticContact CE1-CD1 3.96Å; Y814-F816 HydrophobicContact CE1-CD1 3.96Å; Y814-F816 HydrophobicContact CE1-CE1 4.18Å; Y814-F816 HydrophobicContact CE1-CG 4.2Å; Y814-F816 WeakPolarHBondContact O-CD2 3.26Å; F816-R819 VanDerWaalsContact O-CG 3.25Å; F816-R819 WeakPolarHBondContact O-CG 3.39Å; F816-R819 PolarHBondContact O-N 2.92Å; F816-M851 HydrophobicContact CE2-CE 4.31Å; F816-M851 HydrophobicContact CZ-CE 3.92Å; F816-M851 HydrophobicContact CZ-SD 3.96Å; F816-F856 AromaticContact CE1-CD2 3.61Å; F816-F856 HydrophobicContact CE1-CD2 3.61Å; F816-F856 AromaticContact CE1-CE2 3.69Å; F816-F856 HydrophobicContact CE1-CE2 3.69Å; F816-F856 HydrophobicContact CE1-CG 4.18Å; F816-F856 HydrophobicContact CE1-CZ 4.31Å; F816-F856 AromaticContact CZ-CD2 3.73Å; F816-F856 HydrophobicContact CZ-CD2 3.73Å; F816-F856 AromaticContact CZ-CE2 3.9Å; F816-F856 HydrophobicContact CZ-CE2 3.9Å; F816-L859 HydrophobicContact CD1-CB 3.62Å; F816-L859 HydrophobicContact CD1-CD1 4.24Å; F816-L859 HydrophobicContact CE1-CB 3.61Å; F816-L859 HydrophobicContact CE1-CD1 3.69Å; F816-L859 HydrophobicContact CE1-CG 4.32Å; F816-L859 HydrophobicContact CE2-CD1 4.21Å; F816-L859 HydrophobicContact CG-CB 4.46Å; F816-L859 HydrophobicContact CZ-CB 4.44Å; F816-L859 HydrophobicContact CZ-CD1 3.67Å; F816-A863 HydrophobicContact CB-CB 4.49Å; F816-L886 HydrophobicContact CB-CD2 4.22Å
817	Q	83.3	Confident	94.1	Very high	25 Å²	25	23.8 Å²	23.8	12%	0.117	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	cis	74.5	48.4	-15.2	168.7	168.8	-41.7	0	0	114.5	D815 A863 R867 L886 N887	D815-Q817 CarbonylContact C-O 3.4Å; D815-Q817 VanDerWaalsContact C-O 3.23Å; D815-Q817 CarbonylContact O-C 3.54Å; Q817-A863 HydrophobicContact CB-CB 4.35Å; Q817-R867 VanDerWaalsContact OE1-CZ 3.28Å; Q817-L886 WeakPolarHBondContact CG-O 3.49Å; Q817-N887 PolarHBondContact NE2-OD1 2.95Å
818	R	85.9	Confident	94.2	Very high	86 Å²	86	24.9 Å²	24.9	33%	0.325	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	cis	-73.9	-26.6	25.1	-74.3	152.8	-166.4	-101.3	-17.2	121.6	L290 D815 A820 E831 R867	L290-R818 VanDerWaalsContact CD1-CZ 3.44Å; L290-R818 VanDerWaalsContact CD2-NH1 3.31Å; D815-R818 HydrophobicContact CB-CB 4.35Å; D815-R818 PolarHBondContact O-N 3.43Å; D815-R818 VanDerWaalsContact O-N 3.08Å; D815-R818 WeakPolarHBondContact OD1-CB 3.12Å; D815-R818 WeakPolarHBondContact OD1-CD 3.48Å; D815-R818 WeakPolarHBondContact OD1-CG 3.44Å; D815-R818 PolarHBondContact OD1-N 3.33Å; D815-R818 IonicContact OD1-NE 2.69Å; D815-R818 PolarHBondContact OD1-NE 3.1Å; R818-A820 HydrophobicContact CB-CB 3.83Å; R818-E831 IonicContact CZ-OE2 3.73Å; R818-E831 IonicContact NE-OE2 3.31Å; R818-E831 IonicContact NH1-OE2 2.76Å; R818-E831 PolarHBondContact NH1-OE2 3.33Å; R818-R867 PolarHBondContact O-NH1 3.32Å; R818-R867 PolarHBondContact O-NH2 2.92Å
819	R	91.3	Very high	94.1	Very high	131 Å²	131	23.6 Å²	23.6	49%	0.494	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	32	-147.6	-54.4	-176.3	166.7	-156	-2.9	114	Y814 D815 F816 L860 S864	Y814-R819 WeakPolarHBondContact OH-CA 3.31Å; D815-R819 WeakPolarHBondContact O-CA 3.5Å; D815-R819 PolarHBondContact O-N 2.9Å; F816-R819 VanDerWaalsContact O-CG 3.25Å; F816-R819 WeakPolarHBondContact O-CG 3.39Å; F816-R819 PolarHBondContact O-N 2.92Å; R819-L860 HydrophobicContact CG-CD1 3.7Å; R819-S864 PolarHBondContact NH2-OG 3.14Å
820	A	92.3	Very high	93.9	Very high	17 Å²	17	25.3 Å²	25.3	14%	0.14	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.4	-179.5	0	0	0	0	0	110.7	D815 R818 E831	D815-A820 WeakPolarHBondContact CB-O 3.45Å; D815-A820 PolarHBondContact N-O 2.99Å; D815-A820 PolarHBondContact O-N 2.7Å; D815-A820 VanDerWaalsContact O-N 3.17Å; R818-A820 HydrophobicContact CB-CB 3.83Å; A820-E831 HydrophobicContact CB-CG 3.85Å
821	W	96.1	Very high	93.7	Very high	7 Å²	7	27.9 Å²	27.9	3%	0.027	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.5	173	-74.7	89.7	0	0	0	110.9	L793 V794 D812 V813 Y814 E831 I832 E834 I837	L793-W821 HydrophobicContact CB-CH2 4.35Å; L793-W821 HydrophobicContact CB-CZ2 4.45Å; L793-W821 HydrophobicContact CD2-CH2 3.93Å; L793-W821 HydrophobicContact CD2-CZ2 4.21Å; L793-W821 HydrophobicContact CG-CH2 3.81Å; L793-W821 HydrophobicContact CG-CZ2 4.3Å; L793-W821 WeakPolarHBondContact O-CZ2 3.32Å; V794-W821 VanDerWaalsContact C-CH2 3.43Å; D812-W821 HydrophobicContact CB-CE3 4.48Å; V813-W821 VanDerWaalsContact C-CE3 3.43Å; V813-W821 WeakPolarHBondContact O-CA 3.42Å; Y814-W821 AromaticContact CD2-CD1 3.83Å; Y814-W821 HydrophobicContact CD2-CD2 4.1Å; Y814-W821 AromaticContact CD2-CE2 3.76Å; Y814-W821 HydrophobicContact CD2-CG 4.15Å; Y814-W821 HydrophobicContact CD2-CZ2 4.3Å; Y814-W821 AromaticContact CD2-NE1 3.57Å; W821-E831 WeakPolarHBondContact O-CA 3.44Å; W821-I832 HydrophobicContact CB-CG2 4Å; W821-I832 WeakPolarHBondContact CB-O 3.15Å; W821-I832 PolarHBondContact O-N 3.12Å; W821-E834 HydrophobicContact CZ2-CG 4.49Å; W821-E834 VanDerWaalsContact NE1-CG 3.34Å; W821-E834 PolarHBondContact NE1-OE2 3.28Å; W821-I837 HydrophobicContact CB-CD1 3.56Å; W821-I837 HydrophobicContact CD2-CD1 3.52Å; W821-I837 HydrophobicContact CE3-CD1 3.49Å; W821-I837 VanDerWaalsContact CE3-CD1 3.49Å; W821-I837 HydrophobicContact CG-CD1 3.59Å; W821-I837 HydrophobicContact CZ3-CD1 4.34Å
822	L	95.2	Very high	93.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.9	180	-60.6	-173.6	0	0	0	110.7	L290 D812 V813 D815 Y824 V829 F830 E831	L290-L822 HydrophobicContact CD1-CD1 4.42Å; L290-L822 HydrophobicContact CD1-CD2 3.46Å; L290-L822 VanDerWaalsContact CD1-CD2 3.46Å; D812-L822 CarbonylContact C-O 3.44Å; D812-L822 WeakPolarHBondContact CA-O 3.38Å; V813-L822 PolarHBondContact N-O 3.26Å; V813-L822 PolarHBondContact O-N 3.25Å; D815-L822 HydrophobicContact CB-CD1 3.69Å; D815-L822 HydrophobicContact CB-CG 3.84Å; D815-L822 VanDerWaalsContact CG-CD1 3.44Å; D815-L822 WeakPolarHBondContact OD2-CD1 3.43Å; L822-Y824 HydrophobicContact CB-CD2 4.33Å; L822-Y824 HydrophobicContact CB-CE2 3.71Å; L822-Y824 HydrophobicContact CD1-CE2 4.41Å; L822-V829 HydrophobicContact CB-CG1 4.23Å; L822-V829 HydrophobicContact CD1-CG1 4.35Å; L822-F830 CarbonylContact C-O 3.45Å; L822-F830 WeakPolarHBondContact CA-O 3.05Å; L822-E831 HydrophobicContact CD2-CB 4.08Å; L822-E831 HydrophobicContact CD2-CG 4.08Å
823	L	97	Very high	93.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116.9	168.8	166.1	60.5	0	0	0	109.2	L283 V810 V829 F830 I832	L283-L823 HydrophobicContact CD2-CD2 3.56Å; V810-L823 HydrophobicContact CB-CD1 3.67Å; V810-L823 HydrophobicContact CG1-CD1 4.3Å; V810-L823 HydrophobicContact CG2-CD1 3.61Å; L823-V829 WeakPolarHBondContact O-CA 3.29Å; L823-F830 HydrophobicContact CB-CB 4.4Å; L823-F830 HydrophobicContact CD2-CD2 4.29Å; L823-F830 HydrophobicContact CG-CD2 4.39Å; L823-F830 PolarHBondContact N-O 2.66Å; L823-F830 PolarHBondContact O-N 3.01Å; L823-I832 HydrophobicContact CB-CG2 4.16Å
824	Y	96.5	Very high	93	Very high	15 Å²	15	32.8 Å²	32.8	6%	0.059	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.8	170.1	-64.9	-95.7	0	0	0	110.3	R292 Q309 V810 S811 V813 L822 V829	R292-Y824 VanDerWaalsContact CZ-OH 3.28Å; R292-Y824 PolarHBondContact NH1-OH 3.03Å; R292-Y824 VanDerWaalsContact NH1-OH 3.15Å; Q309-Y824 HydrophobicContact CB-CD1 4.46Å; Q309-Y824 HydrophobicContact CB-CD2 4.22Å; Q309-Y824 HydrophobicContact CB-CG 4.07Å; Q309-Y824 VanDerWaalsContact CD-CD1 3.45Å; Q309-Y824 HydrophobicContact CG-CD1 3.86Å; Q309-Y824 HydrophobicContact CG-CD2 4.47Å; Q309-Y824 HydrophobicContact CG-CE1 4.49Å; Q309-Y824 HydrophobicContact CG-CG 3.85Å; V810-Y824 WeakPolarHBondContact CA-O 3.36Å; V810-Y824 WeakPolarHBondContact CB-O 3.5Å; S811-Y824 PolarHBondContact N-O 3.49Å; S811-Y824 PolarHBondContact O-N 3.12Å; V813-Y824 HydrophobicContact CB-CD2 4.39Å; V813-Y824 HydrophobicContact CB-CE2 4.1Å; V813-Y824 HydrophobicContact CG2-CD2 4.07Å; V813-Y824 HydrophobicContact CG2-CE2 4.18Å; L822-Y824 HydrophobicContact CB-CD2 4.33Å; L822-Y824 HydrophobicContact CB-CE2 3.71Å; L822-Y824 HydrophobicContact CD1-CE2 4.41Å; Y824-V829 HydrophobicContact CD1-CB 4.4Å; Y824-V829 HydrophobicContact CD1-CG1 4.06Å; Y824-V829 HydrophobicContact CD1-CG2 3.53Å; Y824-V829 HydrophobicContact CE1-CB 4.4Å; Y824-V829 HydrophobicContact CE1-CG1 3.8Å; Y824-V829 HydrophobicContact CE1-CG2 3.63Å; Y824-V829 HydrophobicContact CE2-CG1 4.5Å; Y824-V829 HydrophobicContact CG-CG1 4.5Å; Y824-V829 HydrophobicContact CG-CG2 4.47Å
825	S	95.9	Very high	92.8	Very high	15 Å²	15	35 Å²	35	11%	0.105	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	90	170.6	178.4	0	0	0	0	108.5	H808 V827 Q828	H808-S825 PolarHBondContact NE2-OG 2.84Å; S825-V827 PolarHBondContact O-N 3.23Å; S825-V827 VanDerWaalsContact O-N 3.13Å; S825-Q828 PolarHBondContact N-O 3.23Å; S825-Q828 PolarHBondContact O-N 2.94Å
826	D	95.4	Very high	92.8	Very high	25 Å²	25	35.5 Å²	35.5	13%	0.134	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-112.8	-167.3	-66.2	-43.6	0	0	0	111.9	G294 F295 N297 N305 H808	G294-D826 CarbonylContact C-O 3.23Å; G294-D826 VanDerWaalsContact CA-O 3.25Å; G294-D826 WeakPolarHBondContact CA-O 3.35Å; F295-D826 PolarHBondContact N-O 3.28Å; F295-D826 CarbonylContact O-C 3.59Å; F295-D826 WeakPolarHBondContact O-CA 3.44Å; F295-D826 WeakPolarHBondContact O-CB 3.25Å; N297-D826 HydrophobicContact CB-CB 4.25Å; N297-D826 WeakPolarHBondContact CB-OD2 3.38Å; N297-D826 PolarHBondContact ND2-OD2 3.08Å; N305-D826 PolarHBondContact ND2-OD1 3.17Å; H808-D826 IonicContact CE1-OD2 3.53Å; H808-D826 PolarHBondContact CE1-OD2 2.91Å; H808-D826 VanDerWaalsContact CE1-OD2 3.26Å
827	V	93	Very high	93	Very high	61 Å²	61	35.3 Å²	35.3	37%	0.37	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-24.1	179.7	-60.5	0	0	0	0	113.4	E293 G294 F295 P296 S825	E293-V827 WeakPolarHBondContact CA-O 3.39Å; G294-V827 PolarHBondContact N-O 2.88Å; F295-V827 PolarHBondContact O-N 2.67Å; P296-V827 HydrophobicContact CB-CG1 4.24Å; S825-V827 PolarHBondContact O-N 3.23Å; S825-V827 VanDerWaalsContact O-N 3.13Å
828	Q	93.1	Very high	93.4	Very high	48 Å²	48	36.8 Å²	36.8	22%	0.224	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.6	-174.3	-61.1	-179.7	-37.6	0	0	110.8	S825 F830	S825-Q828 PolarHBondContact N-O 3.23Å; S825-Q828 PolarHBondContact O-N 2.94Å; Q828-F830 HydrophobicContact CB-CD2 4.43Å; Q828-F830 HydrophobicContact CB-CE2 3.57Å; Q828-F830 HydrophobicContact CB-CZ 3.99Å
829	V	92.8	Very high	93.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.4	177.4	-168	0	0	0	0	110.2	L290 R292 L822 L823 Y824	L290-V829 HydrophobicContact CD1-CG1 4.34Å; L290-V829 PolarHBondContact N-O 3.04Å; R292-V829 WeakPolarHBondContact O-CB 3.28Å; R292-V829 WeakPolarHBondContact O-CG2 3.33Å; L822-V829 HydrophobicContact CB-CG1 4.23Å; L822-V829 HydrophobicContact CD1-CG1 4.35Å; L823-V829 WeakPolarHBondContact O-CA 3.29Å; Y824-V829 HydrophobicContact CD1-CB 4.4Å; Y824-V829 HydrophobicContact CD1-CG1 4.06Å; Y824-V829 HydrophobicContact CD1-CG2 3.53Å; Y824-V829 HydrophobicContact CE1-CB 4.4Å; Y824-V829 HydrophobicContact CE1-CG1 3.8Å; Y824-V829 HydrophobicContact CE1-CG2 3.63Å; Y824-V829 HydrophobicContact CE2-CG1 4.5Å; Y824-V829 HydrophobicContact CG-CG1 4.5Å; Y824-V829 HydrophobicContact CG-CG2 4.47Å
830	F	93.4	Very high	93.6	Very high	39 Å²	39	35.3 Å²	35.3	17%	0.171	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137	-179.2	-54.2	-91.7	0	0	0	110.9	A287 K288 Q289 L822 L823 Q828	A287-F830 HydrophobicContact CB-CB 4.29Å; K288-F830 CarbonylContact O-C 3.55Å; K288-F830 WeakPolarHBondContact O-CA 3.39Å; Q289-F830 HydrophobicContact CB-CD1 3.8Å; Q289-F830 HydrophobicContact CB-CE1 3.86Å; Q289-F830 HydrophobicContact CG-CD1 4.23Å; Q289-F830 HydrophobicContact CG-CE1 4.03Å; L822-F830 CarbonylContact C-O 3.45Å; L822-F830 WeakPolarHBondContact CA-O 3.05Å; L823-F830 HydrophobicContact CB-CB 4.4Å; L823-F830 HydrophobicContact CD2-CD2 4.29Å; L823-F830 HydrophobicContact CG-CD2 4.39Å; L823-F830 PolarHBondContact N-O 2.66Å; L823-F830 PolarHBondContact O-N 3.01Å; Q828-F830 HydrophobicContact CB-CD2 4.43Å; Q828-F830 HydrophobicContact CB-CE2 3.57Å; Q828-F830 HydrophobicContact CB-CZ 3.99Å
831	E	93.9	Very high	93.7	Very high	59 Å²	59	34.6 Å²	34.6	28%	0.276	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.7	166.7	-159.1	170.3	119.3	0	0	109.2	A287 K288 L290 R818 A820 W821 L822	A287-E831 WeakPolarHBondContact CA-O 3.48Å; K288-E831 HydrophobicContact CB-CB 4.34Å; K288-E831 PolarHBondContact N-O 2.82Å; K288-E831 PolarHBondContact O-N 2.79Å; L290-E831 HydrophobicContact CD1-CB 4.38Å; L290-E831 HydrophobicContact CD2-CB 4.3Å; L290-E831 HydrophobicContact CG-CB 4.43Å; R818-E831 IonicContact CZ-OE2 3.73Å; R818-E831 IonicContact NE-OE2 3.31Å; R818-E831 IonicContact NH1-OE2 2.76Å; R818-E831 PolarHBondContact NH1-OE2 3.33Å; A820-E831 HydrophobicContact CB-CG 3.85Å; W821-E831 WeakPolarHBondContact O-CA 3.44Å; L822-E831 HydrophobicContact CD2-CB 4.08Å; L822-E831 HydrophobicContact CD2-CG 4.08Å
832	I	92.9	Very high	93.6	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.5	-172.4	-173.7	170.8	0	0	0	110.9	L283 W821 L823 L836 I837	L283-I832 HydrophobicContact CD1-CD1 4.42Å; L283-I832 HydrophobicContact CD2-CD1 4.38Å; W821-I832 HydrophobicContact CB-CG2 4Å; W821-I832 WeakPolarHBondContact CB-O 3.15Å; W821-I832 PolarHBondContact O-N 3.12Å; L823-I832 HydrophobicContact CB-CG2 4.16Å; I832-L836 HydrophobicContact CD1-CB 4.16Å; I832-L836 HydrophobicContact CG1-CB 4.04Å; I832-I837 HydrophobicContact CD1-CG1 4.18Å; I832-I837 HydrophobicContact CG1-CG1 4.46Å; I832-I837 HydrophobicContact CG2-CD1 3.86Å; I832-I837 HydrophobicContact CG2-CG1 4.05Å
833	P	93.5	Very high	93.6	Very high	63 Å²	63	40.4 Å²	40.4	41%	0.409	21%	0.214	S	C	.	.			trans	-69.3	143.7	171.4	-22.2	34.1	0	0	0	113.8	A835 L836 I837	P833-A835 VanDerWaalsContact C-N 3.32Å; P833-A835 PolarHBondContact O-N 3.41Å; P833-L836 HydrophobicContact CB-CG 4.35Å; P833-L836 HydrophobicContact CG-CD1 4.28Å; P833-L836 HydrophobicContact CG-CG 4.39Å; P833-L836 PolarHBondContact O-N 3.13Å; P833-I837 PolarHBondContact O-N 3.45Å
834	E	93.2	Very high	93.5	Very high	40 Å²	40	41.1 Å²	41.1	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-54.8	-43.4	179	-169.9	171.6	112.9	0	0	112.9	K530 W821 L836 I837 Q838	K530-E834 WeakPolarHBondContact CE-OE1 3.44Å; K530-E834 IonicContact NZ-OE1 2.66Å; K530-E834 PolarHBondContact NZ-OE1 3.5Å; K530-E834 IonicContact NZ-OE2 3.78Å; W821-E834 HydrophobicContact CZ2-CG 4.49Å; W821-E834 VanDerWaalsContact NE1-CG 3.34Å; W821-E834 PolarHBondContact NE1-OE2 3.28Å; E834-L836 VanDerWaalsContact C-N 3.3Å; E834-L836 PolarHBondContact O-N 2.8Å; E834-I837 WeakPolarHBondContact O-CB 3.32Å; E834-I837 PolarHBondContact O-N 2.9Å; E834-Q838 PolarHBondContact O-N 3.02Å; E834-Q838 VanDerWaalsContact O-N 3.12Å
835	A	91.9	Very high	93.5	Very high	62 Å²	62	40.4 Å²	40.4	51%	0.512	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-37.2	177.8	0	0	0	0	0	112.8	P833 I837 Q838 E839	P833-A835 VanDerWaalsContact C-N 3.32Å; P833-A835 PolarHBondContact O-N 3.41Å; A835-I837 VanDerWaalsContact C-N 3.28Å; A835-I837 PolarHBondContact O-N 2.88Å; A835-Q838 PolarHBondContact O-N 2.86Å; A835-E839 WeakPolarHBondContact O-CB 3.25Å; A835-E839 PolarHBondContact O-N 2.82Å
836	L	92.7	Very high	93.5	Very high	37 Å²	37	39.9 Å²	39.9	19%	0.194	21%	0.212	C	C	.	.	H	α-helix	trans	-70.3	-23.5	176.6	-66.9	-167.5	0	0	0	112.3	Y286 I832 P833 E834 N840	Y286-L836 HydrophobicContact CG-CD1 4.49Å; I832-L836 HydrophobicContact CD1-CB 4.16Å; I832-L836 HydrophobicContact CG1-CB 4.04Å; P833-L836 HydrophobicContact CB-CG 4.35Å; P833-L836 HydrophobicContact CG-CD1 4.28Å; P833-L836 HydrophobicContact CG-CG 4.39Å; P833-L836 PolarHBondContact O-N 3.13Å; E834-L836 VanDerWaalsContact C-N 3.3Å; E834-L836 PolarHBondContact O-N 2.8Å; L836-N840 WeakPolarHBondContact O-CB 3.48Å; L836-N840 PolarHBondContact O-N 2.58Å; L836-N840 PolarHBondContact O-ND2 3.15Å
837	I	93.3	Very high	93.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-71.9	-48	169.9	-62.8	164.9	0	0	0	109.4	V796 D812 W821 I832 P833 E834 A835 E839 R841	V796-I837 HydrophobicContact CB-CG2 4.43Å; V796-I837 HydrophobicContact CG2-CG2 4.01Å; D812-I837 HydrophobicContact CB-CD1 3.82Å; D812-I837 HydrophobicContact CB-CG1 4.13Å; D812-I837 HydrophobicContact CB-CG2 4.11Å; W821-I837 HydrophobicContact CB-CD1 3.56Å; W821-I837 HydrophobicContact CD2-CD1 3.52Å; W821-I837 HydrophobicContact CE3-CD1 3.49Å; W821-I837 VanDerWaalsContact CE3-CD1 3.49Å; W821-I837 HydrophobicContact CG-CD1 3.59Å; W821-I837 HydrophobicContact CZ3-CD1 4.34Å; I832-I837 HydrophobicContact CD1-CG1 4.18Å; I832-I837 HydrophobicContact CG1-CG1 4.46Å; I832-I837 HydrophobicContact CG2-CD1 3.86Å; I832-I837 HydrophobicContact CG2-CG1 4.05Å; P833-I837 PolarHBondContact O-N 3.45Å; E834-I837 WeakPolarHBondContact O-CB 3.32Å; E834-I837 PolarHBondContact O-N 2.9Å; A835-I837 VanDerWaalsContact C-N 3.28Å; A835-I837 PolarHBondContact O-N 2.88Å; I837-E839 VanDerWaalsContact C-N 3.27Å; I837-E839 PolarHBondContact O-N 2.9Å; I837-R841 HydrophobicContact CG2-CG 3.9Å; I837-R841 VanDerWaalsContact O-CB 3.28Å; I837-R841 WeakPolarHBondContact O-CB 3.17Å; I837-R841 VanDerWaalsContact O-CG 3.28Å; I837-R841 WeakPolarHBondContact O-CG 3.39Å; I837-R841 PolarHBondContact O-N 3.09Å
838	Q	91.6	Very high	93.9	Very high	56 Å²	56	35.8 Å²	35.8	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-37.2	-179.6	-63.2	179.7	-83.1	0	0	112.3	I528 E834 A835 L842	I528-Q838 HydrophobicContact CB-CG 4.48Å; I528-Q838 PolarHBondContact O-NE2 2.86Å; E834-Q838 PolarHBondContact O-N 3.02Å; E834-Q838 VanDerWaalsContact O-N 3.12Å; A835-Q838 PolarHBondContact O-N 2.86Å; Q838-L842 VanDerWaalsContact O-CD2 3.31Å; Q838-L842 WeakPolarHBondContact O-CD2 3.34Å; Q838-L842 WeakPolarHBondContact O-CG 3.46Å
839	E	90.4	Very high	94.2	Very high	127 Å²	127	33.5 Å²	33.5	59%	0.593	18%	0.177	S	C	*	.	H	α-helix	trans	-77.9	-54.4	175.7	-175.2	177	-157.8	0	0	113.1	A835 I837 R841 L842	A835-E839 WeakPolarHBondContact O-CB 3.25Å; A835-E839 PolarHBondContact O-N 2.82Å; I837-E839 VanDerWaalsContact C-N 3.27Å; I837-E839 PolarHBondContact O-N 2.9Å; E839-R841 VanDerWaalsContact C-N 3.29Å; E839-R841 PolarHBondContact O-N 2.91Å; E839-L842 WeakPolarHBondContact O-CD1 3.35Å; E839-L842 VanDerWaalsContact O-CG 3.27Å; E839-L842 WeakPolarHBondContact O-CG 3.5Å
840	N	91.4	Very high	94.5	Very high	60 Å²	60	33.5 Å²	33.5	32%	0.321	18%	0.177	S	C	.	.	H	α-helix	trans	-76	-13.9	-171.4	-68.8	-77.2	0	0	0	114	L836	L836-N840 WeakPolarHBondContact O-CB 3.48Å; L836-N840 PolarHBondContact O-N 2.58Å; L836-N840 PolarHBondContact O-ND2 3.15Å
841	R	94.9	Very high	94.7	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	3.5	-179.1	-49.7	-48.3	-175.4	-119	-11.4	114.4	I528 V796 S798 D812 I837 E839 H843 T844 G845	I528-R841 HydrophobicContact CD1-CB 3.53Å; V796-R841 HydrophobicContact CG1-CB 4.44Å; S798-R841 VanDerWaalsContact OG-CD 3.3Å; S798-R841 WeakPolarHBondContact OG-CD 3.47Å; S798-R841 WeakPolarHBondContact OG-CG 3.33Å; D812-R841 IonicContact OD1-CZ 2.7Å; D812-R841 IonicContact OD1-NE 3.71Å; D812-R841 IonicContact OD1-NH2 3.47Å; D812-R841 PolarHBondContact OD1-NH2 2.97Å; D812-R841 IonicContact OD2-CZ 2.67Å; D812-R841 IonicContact OD2-NE 3.53Å; D812-R841 PolarHBondContact OD2-NE 3.41Å; D812-R841 IonicContact OD2-NH2 3.97Å; D812-R841 PolarHBondContact OD2-NH2 2.64Å; I837-R841 HydrophobicContact CG2-CG 3.9Å; I837-R841 VanDerWaalsContact O-CB 3.28Å; I837-R841 WeakPolarHBondContact O-CB 3.17Å; I837-R841 VanDerWaalsContact O-CG 3.28Å; I837-R841 WeakPolarHBondContact O-CG 3.39Å; I837-R841 PolarHBondContact O-N 3.09Å; E839-R841 VanDerWaalsContact C-N 3.29Å; E839-R841 PolarHBondContact O-N 2.91Å; R841-H843 VanDerWaalsContact C-N 3.26Å; R841-H843 PolarHBondContact O-N 2.8Å; R841-H843 VanDerWaalsContact O-N 3.14Å; R841-T844 PolarHBondContact O-N 3.41Å; R841-T844 VanDerWaalsContact O-N 3.13Å; R841-G845 WeakPolarHBondContact O-CA 3.35Å; R841-G845 PolarHBondContact O-N 2.85Å
842	L	94.6	Very high	94.8	Very high	45 Å²	45	29.3 Å²	29.3	24%	0.236	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-44.8	179.3	-67.2	172.7	0	0	0	113.6	R510 P525 V526 E527 Q838 E839	R510-L842 PolarHBondContact NH2-O 3.06Å; P525-L842 WeakPolarHBondContact CA-O 3.32Å; P525-L842 HydrophobicContact CB-CB 4.04Å; V526-L842 PolarHBondContact N-O 2.65Å; V526-L842 VanDerWaalsContact O-CD2 3.31Å; V526-L842 WeakPolarHBondContact O-CD2 3.2Å; E527-L842 HydrophobicContact CB-CD2 4.45Å; Q838-L842 VanDerWaalsContact O-CD2 3.31Å; Q838-L842 WeakPolarHBondContact O-CD2 3.34Å; Q838-L842 WeakPolarHBondContact O-CG 3.46Å; E839-L842 WeakPolarHBondContact O-CD1 3.35Å; E839-L842 VanDerWaalsContact O-CG 3.27Å; E839-L842 WeakPolarHBondContact O-CG 3.5Å
843	H	93.4	Very high	94.8	Very high	84 Å²	84	29.4 Å²	29.4	39%	0.389	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-22.8	-177.5	-60.1	-86.6	0	0	0	113.8	R510 Q523 R841	R510-H843 VanDerWaalsContact CZ-O 3.25Å; R510-H843 PolarHBondContact NH1-O 3.48Å; R510-H843 VanDerWaalsContact NH1-O 3.13Å; Q523-H843 PolarHBondContact O-ND1 2.95Å; R841-H843 VanDerWaalsContact C-N 3.26Å; R841-H843 PolarHBondContact O-N 2.8Å; R841-H843 VanDerWaalsContact O-N 3.14Å
844	T	95.1	Very high	94.7	Very high	17 Å²	17	32.3 Å²	32.3	10%	0.104	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-25.8	-165.2	53.4	0	0	0	0	114.2	S798 H799 F800 R841 Y846	S798-T844 CarbonylContact C-O 3.44Å; S798-T844 WeakPolarHBondContact CA-O 3.2Å; H799-T844 PolarHBondContact N-O 3.04Å; H799-T844 WeakPolarHBondContact O-CB 3.48Å; F800-T844 HydrophobicContact CD1-CG2 3.78Å; F800-T844 HydrophobicContact CE1-CG2 3.85Å; F800-T844 HydrophobicContact CG-CG2 4.45Å; R841-T844 PolarHBondContact O-N 3.41Å; R841-T844 VanDerWaalsContact O-N 3.13Å; T844-Y846 PolarHBondContact O-N 2.67Å
845	G	96.6	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	123.4	176	0	0	0	0	0	110.9	R510 S798 R841 F848	R510-G845 VanDerWaalsContact CZ-O 3.31Å; R510-G845 PolarHBondContact NE-O 3.4Å; R510-G845 PolarHBondContact NH2-O 3.17Å; S798-G845 WeakPolarHBondContact OG-CA 3.48Å; R841-G845 WeakPolarHBondContact O-CA 3.35Å; R841-G845 PolarHBondContact O-N 2.85Å; G845-F848 VanDerWaalsContact C-CZ 3.4Å; G845-F848 WeakPolarHBondContact O-CZ 3.39Å
846	Y	96.8	Very high	94.8	Very high	5 Å²	5	28.2 Å²	28.2	2%	0.02	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-44.9	-162.6	-178.3	-132.1	0	0	0	112.4	D380 H382 H507 L508 R510 Y511 V797 Y809 T844	D380-Y846 PolarHBondContact OD2-OH 3.05Å; D380-Y846 VanDerWaalsContact OD2-OH 3.07Å; H382-Y846 HydrophobicContact CB-CE1 4.14Å; H507-Y846 AromaticContact CD2-CD2 3.98Å; H507-Y846 AromaticContact CD2-CE2 3.34Å; H507-Y846 WeakPolarHBondContact CD2-CE2 3.37Å; H507-Y846 AromaticContact CD2-CZ 3.58Å; H507-Y846 AromaticContact NE2-CE2 3.19Å; H507-Y846 WeakPolarHBondContact NE2-CE2 3.38Å; H507-Y846 AromaticContact NE2-CZ 3.31Å; H507-Y846 VanDerWaalsContact NE2-CZ 3.31Å; H507-Y846 PolarHBondContact NE2-OH 3.02Å; L508-Y846 PolarHBondContact N-O 2.88Å; L508-Y846 WeakPolarHBondContact O-CD2 3.45Å; L508-Y846 VanDerWaalsContact O-CE2 3.3Å; L508-Y846 WeakPolarHBondContact O-CE2 3.36Å; R510-Y846 HydrophobicContact CB-CD2 4.48Å; R510-Y846 HydrophobicContact CG-CD2 4.46Å; Y511-Y846 HydrophobicContact CD2-CE2 4.22Å; Y511-Y846 HydrophobicContact CE2-CE1 4.32Å; Y511-Y846 AromaticContact CE2-CE2 3.95Å; Y511-Y846 HydrophobicContact CE2-CE2 3.95Å; Y511-Y846 AromaticContact CE2-CZ 3.71Å; V797-Y846 PolarHBondContact O-N 3.37Å; Y809-Y846 HydrophobicContact CE1-CD1 4.02Å; Y809-Y846 HydrophobicContact CE1-CE1 4.42Å; T844-Y846 PolarHBondContact O-N 2.67Å
847	I	98.6	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.4	174.2	-50	162.1	0	0	0	107.9	I307 A381 H382 L385 I505 V506 H507 V797 F849	I307-I847 HydrophobicContact CD1-CD1 3.72Å; A381-I847 HydrophobicContact CB-CD1 4.2Å; H382-I847 HydrophobicContact CB-CD1 3.83Å; H382-I847 HydrophobicContact CB-CG1 4.32Å; L385-I847 HydrophobicContact CD2-CD1 4.38Å; L385-I847 HydrophobicContact CD2-CG2 4.17Å; I505-I847 HydrophobicContact CG2-CG2 3.64Å; V506-I847 CarbonylContact O-C 3.54Å; V506-I847 WeakPolarHBondContact O-CA 3.25Å; H507-I847 HydrophobicContact CB-CG1 4.46Å; V797-I847 HydrophobicContact CB-CB 4.22Å; V797-I847 PolarHBondContact N-O 3.49Å; V797-I847 PolarHBondContact O-N 2.84Å; I847-F849 HydrophobicContact CG2-CE2 3.97Å; I847-F849 HydrophobicContact CG2-CZ 4.35Å
848	F	98.7	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.4	-172.2	-57.5	-102.3	0	0	0	109.7	I466 I505 V506 L508 I528 L793 V796 G845 Y850	I466-F848 HydrophobicContact CD1-CB 3.91Å; I466-F848 HydrophobicContact CD1-CD1 3.77Å; I466-F848 HydrophobicContact CD1-CD2 3.44Å; I466-F848 VanDerWaalsContact CD1-CD2 3.44Å; I466-F848 HydrophobicContact CD1-CE1 4.13Å; I466-F848 HydrophobicContact CD1-CE2 3.86Å; I466-F848 HydrophobicContact CD1-CG 3.41Å; I466-F848 VanDerWaalsContact CD1-CG 3.41Å; I466-F848 HydrophobicContact CD1-CZ 4.17Å; I505-F848 WeakPolarHBondContact CA-O 3.3Å; V506-F848 HydrophobicContact CB-CB 4.5Å; V506-F848 PolarHBondContact N-O 3.33Å; V506-F848 PolarHBondContact O-N 2.78Å; L508-F848 HydrophobicContact CD1-CE2 3.5Å; L508-F848 VanDerWaalsContact CD1-CE2 3.5Å; L508-F848 HydrophobicContact CD1-CZ 3.88Å; L508-F848 HydrophobicContact CG-CD2 4.3Å; L508-F848 HydrophobicContact CG-CE2 3.67Å; I528-F848 HydrophobicContact CB-CE1 4.44Å; I528-F848 HydrophobicContact CD1-CE1 3.8Å; I528-F848 HydrophobicContact CD1-CZ 4.46Å; I528-F848 HydrophobicContact CG1-CE1 3.77Å; I528-F848 HydrophobicContact CG1-CZ 4.4Å; I528-F848 HydrophobicContact CG2-CD1 4.08Å; I528-F848 HydrophobicContact CG2-CE1 3.89Å; L793-F848 HydrophobicContact CD1-CB 4.44Å; L793-F848 HydrophobicContact CD1-CD1 4.27Å; V796-F848 HydrophobicContact CB-CD1 4.46Å; V796-F848 HydrophobicContact CG1-CD1 3.88Å; V796-F848 HydrophobicContact CG1-CE1 3.68Å; V796-F848 HydrophobicContact CG1-CZ 4.32Å; V796-F848 HydrophobicContact CG2-CD1 3.97Å; V796-F848 HydrophobicContact CG2-CE1 4.32Å; G845-F848 VanDerWaalsContact C-CZ 3.4Å; G845-F848 WeakPolarHBondContact O-CZ 3.39Å; F848-Y850 HydrophobicContact CB-CD2 3.94Å; F848-Y850 HydrophobicContact CB-CE2 3.48Å; F848-Y850 VanDerWaalsContact CB-CE2 3.48Å; F848-Y850 HydrophobicContact CG-CE2 4.3Å
849	F	98.8	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.6	178.5	-64.3	-102.7	0	0	0	108	S310 V311 L385 V503 I505 V794 G795 V797 I847	S310-F849 VanDerWaalsContact CB-CE2 3.49Å; V311-F849 HydrophobicContact CG2-CE1 4.15Å; V311-F849 HydrophobicContact CG2-CZ 4.32Å; L385-F849 HydrophobicContact CD2-CZ 4.45Å; V503-F849 HydrophobicContact CG1-CB 4.19Å; V503-F849 HydrophobicContact CG1-CD1 4.25Å; I505-F849 HydrophobicContact CD1-CD1 4.09Å; I505-F849 HydrophobicContact CD1-CE1 3.59Å; I505-F849 HydrophobicContact CD1-CZ 4.39Å; I505-F849 HydrophobicContact CG1-CD1 3.8Å; I505-F849 HydrophobicContact CG1-CE1 3.8Å; V794-F849 HydrophobicContact CG2-CB 4.02Å; V794-F849 VanDerWaalsContact CG2-O 3.29Å; V794-F849 WeakPolarHBondContact CG2-O 3.48Å; V794-F849 PolarHBondContact N-O 3.07Å; G795-F849 PolarHBondContact N-O 2.88Å; G795-F849 VanDerWaalsContact N-O 3.1Å; G795-F849 PolarHBondContact O-N 3.16Å; V797-F849 HydrophobicContact CG2-CE2 4.11Å; I847-F849 HydrophobicContact CG2-CE2 3.97Å; I847-F849 HydrophobicContact CG2-CZ 4.35Å
850	Y	98.4	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.4	-179	-77.9	-88.9	0	0	0	108.9	I466 V503 L504 V506 S529 L532 Y791 R792 L793 F848	I466-Y850 HydrophobicContact CD1-CE2 3.94Å; I466-Y850 VanDerWaalsContact CG2-OH 3.24Å; I466-Y850 WeakPolarHBondContact CG2-OH 3.26Å; V503-Y850 CarbonylContact C-O 3.46Å; V503-Y850 WeakPolarHBondContact CA-O 3.1Å; V503-Y850 WeakPolarHBondContact CG1-O 3.31Å; L504-Y850 PolarHBondContact N-O 2.93Å; L504-Y850 PolarHBondContact O-N 3.24Å; V506-Y850 HydrophobicContact CG2-CD2 4.41Å; S529-Y850 WeakPolarHBondContact O-CE1 3.37Å; S529-Y850 PolarHBondContact O-OH 2.81Å; S529-Y850 VanDerWaalsContact O-OH 3.13Å; L532-Y850 HydrophobicContact CB-CD1 4.19Å; L532-Y850 HydrophobicContact CB-CE1 4.29Å; L532-Y850 HydrophobicContact CD1-CD1 3.82Å; L532-Y850 HydrophobicContact CD1-CD2 3.49Å; L532-Y850 VanDerWaalsContact CD1-CD2 3.49Å; L532-Y850 HydrophobicContact CD1-CE1 3.77Å; L532-Y850 HydrophobicContact CD1-CE2 3.38Å; L532-Y850 HydrophobicContact CD1-CG 3.69Å; L532-Y850 HydrophobicContact CG-CD1 3.88Å; L532-Y850 HydrophobicContact CG-CD2 4.39Å; L532-Y850 HydrophobicContact CG-CE1 3.59Å; L532-Y850 HydrophobicContact CG-CE2 4.1Å; L532-Y850 HydrophobicContact CG-CG 4.28Å; Y791-Y850 WeakPolarHBondContact CD1-O 3.5Å; R792-Y850 CarbonylContact O-C 3.48Å; R792-Y850 WeakPolarHBondContact O-CA 3.4Å; L793-Y850 HydrophobicContact CB-CD1 4.07Å; L793-Y850 HydrophobicContact CB-CE1 3.76Å; L793-Y850 HydrophobicContact CD1-CD1 4.09Å; L793-Y850 HydrophobicContact CD1-CD2 4.16Å; L793-Y850 HydrophobicContact CD1-CE1 3.57Å; L793-Y850 HydrophobicContact CD1-CE2 3.68Å; L793-Y850 HydrophobicContact CD1-CG 4.35Å; L793-Y850 HydrophobicContact CG-CE1 4.27Å; F848-Y850 HydrophobicContact CB-CD2 3.94Å; F848-Y850 HydrophobicContact CB-CE2 3.48Å; F848-Y850 VanDerWaalsContact CB-CE2 3.48Å; F848-Y850 HydrophobicContact CG-CE2 4.3Å
851	M	97.6	Very high	94.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.3	-178.9	-175.1	178.3	-68.8	0	0	111.1	I314 V503 Y791 R792 V794 F816 N853 I855 F856 L859	I314-M851 HydrophobicContact CD1-CE 4.34Å; I314-M851 HydrophobicContact CG2-CE 4.16Å; V503-M851 HydrophobicContact CG2-CB 4.1Å; V503-M851 HydrophobicContact CG2-CE 3.91Å; V503-M851 HydrophobicContact CG2-CG 4.04Å; Y791-M851 CarbonylContact C-O 3.58Å; Y791-M851 WeakPolarHBondContact CA-O 3.31Å; Y791-M851 VanDerWaalsContact CD1-C 3.42Å; R792-M851 PolarHBondContact N-O 3.13Å; R792-M851 PolarHBondContact O-N 3.01Å; V794-M851 HydrophobicContact CB-CB 4.49Å; V794-M851 HydrophobicContact CG1-CB 3.68Å; V794-M851 HydrophobicContact CG1-CE 4.42Å; V794-M851 HydrophobicContact CG2-CB 3.95Å; F816-M851 HydrophobicContact CE2-CE 4.31Å; F816-M851 HydrophobicContact CZ-CE 3.92Å; F816-M851 HydrophobicContact CZ-SD 3.96Å; M851-N853 PolarHBondContact O-N 3.01Å; M851-I855 HydrophobicContact CG-CB 4.24Å; M851-I855 HydrophobicContact CG-CG2 4.25Å; M851-I855 HydrophobicContact SD-CB 4.39Å; M851-I855 HydrophobicContact SD-CG2 3.93Å; M851-F856 HydrophobicContact CG-CB 4.42Å; M851-F856 HydrophobicContact SD-CB 4.15Å; M851-L859 HydrophobicContact CE-CD1 3.71Å; M851-L859 HydrophobicContact SD-CD1 3.42Å; M851-L859 WeakPolarHBondContact SD-CD1 3.21Å
852	Q	95.8	Very high	94.1	Very high	10 Å²	10	32 Å²	32	5%	0.047	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	131.5	175.1	-172.8	-173.7	8.6	0	0	110.1	R502 P545 P788 Y791 E854 I855 F856	R502-Q852 PolarHBondContact O-N 3.2Å; P545-Q852 VanDerWaalsContact CG-OE1 3.27Å; P788-Q852 WeakPolarHBondContact O-CG 3.34Å; P788-Q852 PolarHBondContact O-NE2 3.49Å; Y791-Q852 HydrophobicContact CD1-CB 4.31Å; Y791-Q852 VanDerWaalsContact CD1-N 3.26Å; Y791-Q852 HydrophobicContact CE1-CB 3.92Å; Q852-E854 VanDerWaalsContact C-N 3.32Å; Q852-E854 PolarHBondContact O-N 3.41Å; Q852-I855 HydrophobicContact CB-CD1 4.15Å; Q852-I855 HydrophobicContact CB-CG1 4.24Å; Q852-I855 WeakPolarHBondContact O-CB 3.36Å; Q852-I855 PolarHBondContact O-N 2.98Å; Q852-F856 PolarHBondContact O-N 3.21Å
853	N	93.4	Very high	93.6	Very high	9 Å²	9	30 Å²	30	5%	0.048	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-35.1	-168.3	-161.5	56.8	0	0	0	113	A785 N790 M851 I855 F856 E857	A785-N853 PolarHBondContact O-ND2 3.11Å; N790-N853 VanDerWaalsContact O-CB 3.29Å; N790-N853 WeakPolarHBondContact O-CB 3.47Å; N790-N853 PolarHBondContact O-N 3.24Å; M851-N853 PolarHBondContact O-N 3.01Å; N853-I855 VanDerWaalsContact C-N 3.31Å; N853-I855 PolarHBondContact O-N 3.26Å; N853-F856 PolarHBondContact O-N 3.39Å; N853-E857 PolarHBondContact O-N 2.76Å
854	E	92.1	Very high	93	Very high	125 Å²	125	27.3 Å²	27.3	58%	0.584	13%	0.127	S	C	*	.	H	α-helix	trans	-57.8	-41.5	172.2	-174.7	-179.9	-177.5	0	0	112.3	P788 Q852 W858	P788-E854 HydrophobicContact CB-CB 4.32Å; Q852-E854 VanDerWaalsContact C-N 3.32Å; Q852-E854 PolarHBondContact O-N 3.41Å; E854-W858 VanDerWaalsContact O-CB 3.27Å; E854-W858 WeakPolarHBondContact O-CB 3.28Å; E854-W858 PolarHBondContact O-N 3.03Å; E854-W858 VanDerWaalsContact O-N 3.08Å
855	I	93.4	Very high	92.2	Very high	16 Å²	16	29.7 Å²	29.7	8%	0.082	14%	0.137	C	C	.	.	H	α-helix	trans	-71.9	-41.4	177.7	-57.7	178.6	0	0	0	110.1	T316 R502 V548 M851 Q852 N853 W858 L859	T316-I855 HydrophobicContact CG2-CG2 4.04Å; R502-I855 HydrophobicContact CB-CD1 3.66Å; R502-I855 HydrophobicContact CG-CD1 3.61Å; V548-I855 HydrophobicContact CG2-CD1 4.29Å; V548-I855 HydrophobicContact CG2-CG2 4.24Å; M851-I855 HydrophobicContact CG-CB 4.24Å; M851-I855 HydrophobicContact CG-CG2 4.25Å; M851-I855 HydrophobicContact SD-CB 4.39Å; M851-I855 HydrophobicContact SD-CG2 3.93Å; Q852-I855 HydrophobicContact CB-CD1 4.15Å; Q852-I855 HydrophobicContact CB-CG1 4.24Å; Q852-I855 WeakPolarHBondContact O-CB 3.36Å; Q852-I855 PolarHBondContact O-N 2.98Å; N853-I855 VanDerWaalsContact C-N 3.31Å; N853-I855 PolarHBondContact O-N 3.26Å; I855-W858 PolarHBondContact O-N 2.71Å; I855-L859 HydrophobicContact CG2-CD1 4.39Å; I855-L859 HydrophobicContact CG2-CG 4.46Å; I855-L859 VanDerWaalsContact O-CG 3.3Å; I855-L859 WeakPolarHBondContact O-CG 3.4Å; I855-L859 PolarHBondContact O-N 3.11Å
856	F	94	Very high	90.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.6	-50.9	177.2	179.9	-80.8	0	0	0	111.7	R792 V794 Y814 F816 M851 Q852 N853 W858 L859 L860	R792-F856 HydrophobicContact CB-CD2 4.46Å; R792-F856 HydrophobicContact CB-CG 4.44Å; R792-F856 HydrophobicContact CG-CD2 4.43Å; R792-F856 HydrophobicContact CG-CE2 4.47Å; R792-F856 VanDerWaalsContact CZ-CE1 3.41Å; V794-F856 HydrophobicContact CG1-CD2 3.62Å; V794-F856 HydrophobicContact CG1-CE2 3.89Å; Y814-F856 AromaticContact CD1-CE2 3.6Å; Y814-F856 HydrophobicContact CD1-CE2 3.6Å; Y814-F856 AromaticContact CD1-CZ 3.9Å; Y814-F856 HydrophobicContact CD1-CZ 3.9Å; Y814-F856 AromaticContact CE1-CE2 3.62Å; Y814-F856 HydrophobicContact CE1-CE2 3.62Å; Y814-F856 AromaticContact CE1-CZ 3.41Å; Y814-F856 HydrophobicContact CE1-CZ 3.41Å; Y814-F856 VanDerWaalsContact CE1-CZ 3.41Å; Y814-F856 HydrophobicContact CG-CE2 4.28Å; Y814-F856 AromaticContact CZ-CZ 3.78Å; F816-F856 AromaticContact CE1-CD2 3.61Å; F816-F856 HydrophobicContact CE1-CD2 3.61Å; F816-F856 AromaticContact CE1-CE2 3.69Å; F816-F856 HydrophobicContact CE1-CE2 3.69Å; F816-F856 HydrophobicContact CE1-CG 4.18Å; F816-F856 HydrophobicContact CE1-CZ 4.31Å; F816-F856 AromaticContact CZ-CD2 3.73Å; F816-F856 HydrophobicContact CZ-CD2 3.73Å; F816-F856 AromaticContact CZ-CE2 3.9Å; F816-F856 HydrophobicContact CZ-CE2 3.9Å; M851-F856 HydrophobicContact CG-CB 4.42Å; M851-F856 HydrophobicContact SD-CB 4.15Å; Q852-F856 PolarHBondContact O-N 3.21Å; N853-F856 PolarHBondContact O-N 3.39Å; F856-W858 VanDerWaalsContact C-N 3.33Å; F856-W858 PolarHBondContact O-N 2.88Å; F856-L859 WeakPolarHBondContact O-CB 3.32Å; F856-L859 PolarHBondContact O-N 3.14Å; F856-L860 HydrophobicContact CE1-CB 4.48Å; F856-L860 HydrophobicContact CE1-CD2 4.31Å; F856-L860 WeakPolarHBondContact O-CB 3.17Å; F856-L860 PolarHBondContact O-N 3.19Å
857	E	92.2	Very high	89.3	Confident	74 Å²	74	34.3 Å²	34.3	35%	0.346	16%	0.155	S	C	.	.	H	α-helix	trans	-70.7	-30.3	-178.6	-65.8	-58.9	147.6	0	0	111.8	R792 N853 L860 K861	R792-E857 IonicContact NH1-OE1 2.81Å; R792-E857 PolarHBondContact NH1-OE1 2.89Å; N853-E857 PolarHBondContact O-N 2.76Å; E857-L860 PolarHBondContact O-N 3.33Å; E857-L860 VanDerWaalsContact OE2-CD2 3.27Å; E857-L860 WeakPolarHBondContact OE2-CD2 3.47Å; E857-K861 WeakPolarHBondContact O-CB 3.41Å; E857-K861 PolarHBondContact O-N 3.13Å
858	W	90.9	Very high	87.3	Confident	74 Å²	74	40.7 Å²	40.7	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-63.3	-43.5	168.8	175.5	83.1	0	0	0	112.5	V548 T550 E854 I855 F856 K861 K862 F882	V548-W858 HydrophobicContact CB-CH2 4.49Å; V548-W858 HydrophobicContact CB-CZ3 4.4Å; V548-W858 HydrophobicContact CG1-CH2 3.68Å; V548-W858 HydrophobicContact CG1-CZ3 3.75Å; T550-W858 HydrophobicContact CG2-CH2 4.39Å; T550-W858 HydrophobicContact CG2-CZ2 3.87Å; E854-W858 VanDerWaalsContact O-CB 3.27Å; E854-W858 WeakPolarHBondContact O-CB 3.28Å; E854-W858 PolarHBondContact O-N 3.03Å; E854-W858 VanDerWaalsContact O-N 3.08Å; I855-W858 PolarHBondContact O-N 2.71Å; F856-W858 VanDerWaalsContact C-N 3.33Å; F856-W858 PolarHBondContact O-N 2.88Å; W858-K861 PolarHBondContact O-N 3.18Å; W858-K862 HydrophobicContact CD2-CG 4.46Å; W858-K862 HydrophobicContact CZ2-CG 4.21Å; W858-K862 WeakPolarHBondContact O-CB 3.43Å; W858-K862 WeakPolarHBondContact O-CG 3.35Å; W858-K862 PolarHBondContact O-N 3.22Å; W858-F882 HydrophobicContact CH2-CD1 4.12Å; W858-F882 AromaticContact CH2-CE1 3.31Å; W858-F882 HydrophobicContact CH2-CE1 3.31Å; W858-F882 AromaticContact CH2-CZ 3.75Å; W858-F882 HydrophobicContact CH2-CZ 3.75Å; W858-F882 HydrophobicContact CZ2-CE1 4.24Å; W858-F882 AromaticContact CZ3-CE1 3.6Å; W858-F882 HydrophobicContact CZ3-CE1 3.6Å; W858-F882 AromaticContact CZ3-CZ 3.69Å; W858-F882 HydrophobicContact CZ3-CZ 3.69Å
859	L	90.9	Very high	85.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-43.8	173.5	-69.4	175.9	0	0	0	111.7	P315 T316 F816 M851 I855 F856 K861 K862 A863 F882 L886	P315-L859 HydrophobicContact CB-CD1 4.39Å; P315-L859 HydrophobicContact CB-CD2 4.1Å; P315-L859 HydrophobicContact CG-CD1 4.07Å; P315-L859 HydrophobicContact CG-CD2 4.48Å; T316-L859 HydrophobicContact CG2-CD2 4.4Å; F816-L859 HydrophobicContact CD1-CB 3.62Å; F816-L859 HydrophobicContact CD1-CD1 4.24Å; F816-L859 HydrophobicContact CE1-CB 3.61Å; F816-L859 HydrophobicContact CE1-CD1 3.69Å; F816-L859 HydrophobicContact CE1-CG 4.32Å; F816-L859 HydrophobicContact CE2-CD1 4.21Å; F816-L859 HydrophobicContact CG-CB 4.46Å; F816-L859 HydrophobicContact CZ-CB 4.44Å; F816-L859 HydrophobicContact CZ-CD1 3.67Å; M851-L859 HydrophobicContact CE-CD1 3.71Å; M851-L859 HydrophobicContact SD-CD1 3.42Å; M851-L859 WeakPolarHBondContact SD-CD1 3.21Å; I855-L859 HydrophobicContact CG2-CD1 4.39Å; I855-L859 HydrophobicContact CG2-CG 4.46Å; I855-L859 VanDerWaalsContact O-CG 3.3Å; I855-L859 WeakPolarHBondContact O-CG 3.4Å; I855-L859 PolarHBondContact O-N 3.11Å; F856-L859 WeakPolarHBondContact O-CB 3.32Å; F856-L859 PolarHBondContact O-N 3.14Å; L859-K861 VanDerWaalsContact C-N 3.31Å; L859-K861 PolarHBondContact O-N 3.25Å; L859-K862 PolarHBondContact O-N 2.66Å; L859-K862 VanDerWaalsContact O-N 3.16Å; L859-A863 WeakPolarHBondContact O-CB 3.34Å; L859-A863 PolarHBondContact O-N 3.47Å; L859-F882 HydrophobicContact CD2-CE1 3.99Å; L859-F882 HydrophobicContact CD2-CZ 3.49Å; L859-F882 VanDerWaalsContact CD2-CZ 3.49Å; L859-L886 HydrophobicContact CD2-CD2 4.36Å
860	L	90.3	Very high	82.9	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-42.9	178.4	-171.4	69.9	0	0	0	110.9	R819 F856 E857 S864	R819-L860 HydrophobicContact CG-CD1 3.7Å; F856-L860 HydrophobicContact CE1-CB 4.48Å; F856-L860 HydrophobicContact CE1-CD2 4.31Å; F856-L860 WeakPolarHBondContact O-CB 3.17Å; F856-L860 PolarHBondContact O-N 3.19Å; E857-L860 PolarHBondContact O-N 3.33Å; E857-L860 VanDerWaalsContact OE2-CD2 3.27Å; E857-L860 WeakPolarHBondContact OE2-CD2 3.47Å; L860-S864 PolarHBondContact O-N 3.37Å; L860-S864 PolarHBondContact O-OG 3.27Å
861	K	88.6	Confident	80.3	Confident	131 Å²	131	52.9 Å²	52.9	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-61.9	-48.5	172.1	-178.2	174.8	176	177.5	0	111.4	E857 W858 L859 A863 S864 E865	E857-K861 WeakPolarHBondContact O-CB 3.41Å; E857-K861 PolarHBondContact O-N 3.13Å; W858-K861 PolarHBondContact O-N 3.18Å; L859-K861 VanDerWaalsContact C-N 3.31Å; L859-K861 PolarHBondContact O-N 3.25Å; K861-A863 PolarHBondContact O-N 3.4Å; K861-S864 WeakPolarHBondContact O-CA 3.42Å; K861-S864 VanDerWaalsContact O-CB 3.26Å; K861-S864 WeakPolarHBondContact O-CB 3.26Å; K861-S864 PolarHBondContact O-N 3.43Å; K861-E865 WeakPolarHBondContact CE-OE1 3.42Å; K861-E865 PolarHBondContact O-N 2.91Å
862	K	85.4	Confident	77.8	Confident	62 Å²	62	59.4 Å²	59.4	27%	0.27	31%	0.305	S	S	.	.	H	α-helix	trans	-58.7	-48	178.7	-80.8	-74.7	158.4	-156.8	0	112.6	W858 L859 S864 E865 C866 L886	W858-K862 HydrophobicContact CD2-CG 4.46Å; W858-K862 HydrophobicContact CZ2-CG 4.21Å; W858-K862 WeakPolarHBondContact O-CB 3.43Å; W858-K862 WeakPolarHBondContact O-CG 3.35Å; W858-K862 PolarHBondContact O-N 3.22Å; L859-K862 PolarHBondContact O-N 2.66Å; L859-K862 VanDerWaalsContact O-N 3.16Å; K862-S864 PolarHBondContact O-N 3.42Å; K862-S864 VanDerWaalsContact O-N 3.15Å; K862-E865 VanDerWaalsContact CE-OE2 3.31Å; K862-E865 WeakPolarHBondContact CE-OE2 3.41Å; K862-E865 IonicContact NZ-OE2 3.8Å; K862-E865 PolarHBondContact NZ-OE2 3.13Å; K862-E865 WeakPolarHBondContact O-CB 3.42Å; K862-E865 PolarHBondContact O-N 3.31Å; K862-E865 VanDerWaalsContact O-N 3.09Å; K862-C866 PolarHBondContact O-N 3.29Å; K862-C866 PolarHBondContact O-SG 3.21Å; K862-L886 HydrophobicContact CB-CD1 3.85Å
863	A	84.4	Confident	75.1	Confident	2 Å²	2	68.1 Å²	68.1	2%	0.017	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-26.3	175.2	0	0	0	0	0	113.2	F816 Q817 L859 K861 R867	F816-A863 HydrophobicContact CB-CB 4.49Å; Q817-A863 HydrophobicContact CB-CB 4.35Å; L859-A863 WeakPolarHBondContact O-CB 3.34Å; L859-A863 PolarHBondContact O-N 3.47Å; K861-A863 PolarHBondContact O-N 3.4Å; A863-R867 WeakPolarHBondContact O-CG 3.35Å; A863-R867 PolarHBondContact O-N 3.49Å
864	S	81.2	Confident	72.5	Confident	28 Å²	28	71.9 Å²	71.9	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-77	-41.2	175	-49.3	0	0	0	0	112.1	R819 L860 K861 K862 R867 L868	R819-S864 PolarHBondContact NH2-OG 3.14Å; L860-S864 PolarHBondContact O-N 3.37Å; L860-S864 PolarHBondContact O-OG 3.27Å; K861-S864 WeakPolarHBondContact O-CA 3.42Å; K861-S864 VanDerWaalsContact O-CB 3.26Å; K861-S864 WeakPolarHBondContact O-CB 3.26Å; K861-S864 PolarHBondContact O-N 3.43Å; K862-S864 PolarHBondContact O-N 3.42Å; K862-S864 VanDerWaalsContact O-N 3.15Å; S864-R867 PolarHBondContact O-N 2.97Å; S864-L868 PolarHBondContact O-N 3.22Å
865	E	79.1	Confident	70.1	Confident	67 Å²	67	75 Å²	75	31%	0.313	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-43.3	173	-66.5	169.2	-175.9	0	0	110.9	K861 K862 R867 L868 L869	K861-E865 WeakPolarHBondContact CE-OE1 3.42Å; K861-E865 PolarHBondContact O-N 2.91Å; K862-E865 VanDerWaalsContact CE-OE2 3.31Å; K862-E865 WeakPolarHBondContact CE-OE2 3.41Å; K862-E865 IonicContact NZ-OE2 3.8Å; K862-E865 PolarHBondContact NZ-OE2 3.13Å; K862-E865 WeakPolarHBondContact O-CB 3.42Å; K862-E865 PolarHBondContact O-N 3.31Å; K862-E865 VanDerWaalsContact O-N 3.09Å; E865-R867 PolarHBondContact O-N 2.87Å; E865-L868 PolarHBondContact O-N 3.28Å; E865-L869 WeakPolarHBondContact O-CG 3.09Å; E865-L869 PolarHBondContact O-N 3.47Å
866	C	67.9	Low	67.6	Low	3 Å²	3	83.8 Å²	83.8	2%	0.02	41%	0.414	C	S	.	.	H	α-helix	trans	-58.6	-42.7	176.1	-58.3	0	0	0	0	112.7	K862 L868 L869 S870 S883	K862-C866 PolarHBondContact O-N 3.29Å; K862-C866 PolarHBondContact O-SG 3.21Å; C866-L868 PolarHBondContact O-N 3.37Å; C866-L869 PolarHBondContact O-N 3.46Å; C866-S870 PolarHBondContact O-N 3.13Å; C866-S870 PolarHBondContact O-OG 3.48Å; C866-S883 WeakPolarHBondContact SG-CB 3.32Å; C866-S883 PolarHBondContact SG-OG 3Å; C866-S883 VanDerWaalsContact SG-OG 3.34Å
867	R	63.3	Low	65.2	Low	98 Å²	98	92.1 Å²	92.1	37%	0.37	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-37.3	178.8	-80.8	176.4	161.8	-179.1	-6.2	113.8	Q817 R818 A863 S864 E865 L869 S870	Q817-R867 VanDerWaalsContact OE1-CZ 3.28Å; R818-R867 PolarHBondContact O-NH1 3.32Å; R818-R867 PolarHBondContact O-NH2 2.92Å; A863-R867 WeakPolarHBondContact O-CG 3.35Å; A863-R867 PolarHBondContact O-N 3.49Å; S864-R867 PolarHBondContact O-N 2.97Å; E865-R867 PolarHBondContact O-N 2.87Å; R867-L869 VanDerWaalsContact C-N 3.29Å; R867-S870 WeakPolarHBondContact O-CB 3.28Å; R867-S870 PolarHBondContact O-N 3.05Å
868	L	57.9	Low	62.7	Low	134 Å²	134	95.5 Å²	95.5	70%	0.702	47%	0.472	S	S	*	.	H	α-helix	trans	-68.9	-31.9	177.7	-67.2	170.8	0	0	0	111.8	S864 E865 C866 S870 T871	S864-L868 PolarHBondContact O-N 3.22Å; E865-L868 PolarHBondContact O-N 3.28Å; C866-L868 PolarHBondContact O-N 3.37Å; L868-S870 VanDerWaalsContact C-N 3.28Å; L868-S870 PolarHBondContact O-N 3.3Å; L868-T871 PolarHBondContact O-OG1 3.1Å
869	L	53.7	Low	60.7	Low	97 Å²	97	96.4 Å²	96.4	51%	0.508	48%	0.48	S	S	.	.	H	α-helix	trans	-75.5	-13	174.8	-65.9	167.3	0	0	0	113.4	E865 C866 R867 T871	E865-L869 WeakPolarHBondContact O-CG 3.09Å; E865-L869 PolarHBondContact O-N 3.47Å; C866-L869 PolarHBondContact O-N 3.46Å; R867-L869 VanDerWaalsContact C-N 3.29Å; L869-T871 PolarHBondContact O-N 3.35Å
870	S	49.9	Very low	58.9	Low	74 Å²	74	99.8 Å²	99.8	52%	0.517	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	15.7	179.9	-41.6	0	0	0	0	113.5	C866 R867 L868	C866-S870 PolarHBondContact O-N 3.13Å; C866-S870 PolarHBondContact O-OG 3.48Å; R867-S870 WeakPolarHBondContact O-CB 3.28Å; R867-S870 PolarHBondContact O-N 3.05Å; L868-S870 VanDerWaalsContact C-N 3.28Å; L868-S870 PolarHBondContact O-N 3.3Å
871	T	45.2	Very low	57.4	Low	86 Å²	86	100.2 Å²	100.2	53%	0.528	50%	0.5	S	S	.	.	S	Bend	trans	-88.2	140	-178.9	55.1	0	0	0	0	110.9	L868 L869 K873	L868-T871 PolarHBondContact O-OG1 3.1Å; L869-T871 PolarHBondContact O-N 3.35Å; T871-K873 PolarHBondContact O-N 3.13Å
872	P	44.1	Very low	56.1	Low	137 Å²	137	94 Å²	94	89%	0.89	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	57.6	-164.1	33.2	-38.7	0	0	0	113.4
873	K	40.2	Very low	54.8	Low	192 Å²	192	91.7 Å²	91.7	84%	0.835	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.9	-17.2	176	-71.8	-163.3	173	-173.7	0	115.6	T871	T871-K873 PolarHBondContact O-N 3.13Å
874	D	37.5	Very low	53.7	Low	88 Å²	88	92.1 Å²	92.1	47%	0.471	47%	0.467	S	S	.	.			trans	-104.2	57.9	-179	-100.7	22.4	0	0	0	111.3	K876 R877	D874-K876 PolarHBondContact O-N 3.29Å; D874-R877 IonicContact OD2-CZ 2.62Å; D874-R877 IonicContact OD2-NH1 3.26Å; D874-R877 PolarHBondContact OD2-NH1 3.42Å
875	E	42.1	Very low	52.9	Low	190 Å²	190	92.2 Å²	92.2	89%	0.888	47%	0.466	S	S	*	.			trans	-61.4	-7.8	-170	-126.3	175.5	-144.1	0	0	116.1
876	K	40.5	Very low	52.2	Low	201 Å²	201	89.5 Å²	89.5	87%	0.874	45%	0.453	S	S	*	.	S	Bend	trans	-139.3	70.8	-179.9	-69.3	-169.8	177.4	178.2	0	113.1	D874	D874-K876 PolarHBondContact O-N 3.29Å
877	R	44.2	Very low	51.4	Low	176 Å²	176	90.3 Å²	90.3	66%	0.664	46%	0.457	S	S	*	.			trans	-126.3	137.9	158.5	-89.7	179.9	161.6	140.1	-5	110.6	D874 M879	D874-R877 IonicContact OD2-CZ 2.62Å; D874-R877 IonicContact OD2-NH1 3.26Å; D874-R877 PolarHBondContact OD2-NH1 3.42Å; R877-M879 PolarHBondContact O-N 3.43Å; R877-M879 VanDerWaalsContact O-N 3.14Å
878	T	40.4	Very low	50.9	Low	145 Å²	145	86 Å²	86	89%	0.89	44%	0.443	S	S	*	.			trans	-64.2	109.8	171.1	36.3	0	0	0	0	109.6	D880	T878-D880 PolarHBondContact O-N 3.11Å
879	M	48.6	Very low	50.4	Low	93 Å²	93	80.7 Å²	80.7	46%	0.458	41%	0.414	S	S	.	.			trans	-66.8	125.4	169.1	-63.8	-160.6	77	0	0	108.8	R877 L881	R877-M879 PolarHBondContact O-N 3.43Å; R877-M879 VanDerWaalsContact O-N 3.14Å; M879-L881 PolarHBondContact O-N 3.3Å
880	D	53.3	Low	49.7	Very low	70 Å²	70	77.9 Å²	77.9	37%	0.374	40%	0.401	S	S	.	.			trans	-56.2	132.1	171.8	174.6	-6.2	0	0	0	108.8	T878 F882 S883 T884	T878-D880 PolarHBondContact O-N 3.11Å; D880-F882 PolarHBondContact O-N 3.32Å; D880-F882 WeakPolarHBondContact OD1-CB 3.11Å; D880-F882 PolarHBondContact OD1-N 3.34Å; D880-S883 WeakPolarHBondContact O-CA 3.47Å; D880-S883 WeakPolarHBondContact O-CB 3.23Å; D880-S883 PolarHBondContact O-N 3.11Å; D880-S883 PolarHBondContact O-OG 2.99Å; D880-T884 PolarHBondContact O-N 3.06Å
881	L	56.8	Low	49	Very low	30 Å²	30	81.7 Å²	81.7	16%	0.157	41%	0.406	C	S	.	.	H	α-helix	trans	-41.5	-39.6	173.8	-140.4	76.6	0	0	0	112.3	T323 V559 P560 G561 V562 M879 T884 L885	T323-L881 HydrophobicContact CG2-CD2 3.65Å; T323-L881 HydrophobicContact CG2-CG 4.32Å; V559-L881 HydrophobicContact CG1-CD2 4.23Å; P560-L881 WeakPolarHBondContact O-CD1 3.45Å; G561-L881 VanDerWaalsContact C-CD1 3.45Å; V562-L881 HydrophobicContact CB-CD1 4.27Å; V562-L881 HydrophobicContact CG2-CD1 3.48Å; V562-L881 VanDerWaalsContact CG2-CD1 3.48Å; V562-L881 HydrophobicContact CG2-CG 4.01Å; V562-L881 VanDerWaalsContact N-CD1 3.25Å; M879-L881 PolarHBondContact O-N 3.3Å; L881-T884 PolarHBondContact O-N 3.03Å; L881-L885 WeakPolarHBondContact O-CG 3.3Å; L881-L885 PolarHBondContact O-N 3.49Å
882	F	62.1	Low	48.5	Very low	2 Å²	2	82.4 Å²	82.4	1%	0.009	41%	0.405	C	S	.	.	H	α-helix	trans	-72.1	-25.8	179.2	-170	-118.3	0	0	0	114.1	P315 K319 W858 L859 D880 L885 L886	P315-F882 HydrophobicContact CB-CE2 4.42Å; K319-F882 HydrophobicContact CB-CD2 3.81Å; K319-F882 HydrophobicContact CB-CE2 3.76Å; K319-F882 HydrophobicContact CD-CD2 3.55Å; K319-F882 HydrophobicContact CD-CE2 3.74Å; K319-F882 HydrophobicContact CD-CG 4.28Å; K319-F882 HydrophobicContact CG-CD2 3.7Å; K319-F882 HydrophobicContact CG-CE2 4.05Å; W858-F882 HydrophobicContact CH2-CD1 4.12Å; W858-F882 AromaticContact CH2-CE1 3.31Å; W858-F882 HydrophobicContact CH2-CE1 3.31Å; W858-F882 AromaticContact CH2-CZ 3.75Å; W858-F882 HydrophobicContact CH2-CZ 3.75Å; W858-F882 HydrophobicContact CZ2-CE1 4.24Å; W858-F882 AromaticContact CZ3-CE1 3.6Å; W858-F882 HydrophobicContact CZ3-CE1 3.6Å; W858-F882 AromaticContact CZ3-CZ 3.69Å; W858-F882 HydrophobicContact CZ3-CZ 3.69Å; L859-F882 HydrophobicContact CD2-CE1 3.99Å; L859-F882 HydrophobicContact CD2-CZ 3.49Å; L859-F882 VanDerWaalsContact CD2-CZ 3.49Å; D880-F882 PolarHBondContact O-N 3.32Å; D880-F882 WeakPolarHBondContact OD1-CB 3.11Å; D880-F882 PolarHBondContact OD1-N 3.34Å; F882-L885 HydrophobicContact CD2-CD1 4.48Å; F882-L886 HydrophobicContact CD1-CD1 4.2Å; F882-L886 HydrophobicContact CE1-CD1 3.96Å; F882-L886 HydrophobicContact CZ-CD1 4.49Å; F882-L886 WeakPolarHBondContact O-CG 3.47Å; F882-L886 PolarHBondContact O-N 2.89Å; F882-L886 VanDerWaalsContact O-N 3.12Å
883	S	59.3	Low	48	Very low	13 Å²	13	80.9 Å²	80.9	9%	0.091	39%	0.389	C	S	.	.	H	α-helix	trans	-67	-42	170.9	-54.7	0	0	0	0	110.9	C866 D880 L885 L886 N887	C866-S883 WeakPolarHBondContact SG-CB 3.32Å; C866-S883 PolarHBondContact SG-OG 3Å; C866-S883 VanDerWaalsContact SG-OG 3.34Å; D880-S883 WeakPolarHBondContact O-CA 3.47Å; D880-S883 WeakPolarHBondContact O-CB 3.23Å; D880-S883 PolarHBondContact O-N 3.11Å; D880-S883 PolarHBondContact O-OG 2.99Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.36Å; S883-L886 CarbonylContact O-C 2.91Å; S883-L886 WeakPolarHBondContact O-CB 3.32Å; S883-L886 PolarHBondContact O-N 3.43Å; S883-L886 VanDerWaalsContact O-N 3.14Å; S883-N887 VanDerWaalsContact O-CG 3.22Å; S883-N887 PolarHBondContact O-N 2.84Å; S883-N887 PolarHBondContact O-OD1 3.4Å
884	T	61	Low	47.5	Very low	10 Å²	10	77.1 Å²	77.1	6%	0.061	38%	0.375	C	S	.	.	H	α-helix	trans	-66.9	-36.4	177.3	-45.4	0	0	0	0	111.6	V562 D880 L881 L886 N887 G888 L892	V562-T884 HydrophobicContact CG1-CG2 4.17Å; V562-T884 HydrophobicContact CG2-CG2 4Å; D880-T884 PolarHBondContact O-N 3.06Å; L881-T884 PolarHBondContact O-N 3.03Å; T884-L886 VanDerWaalsContact C-N 3.3Å; T884-L886 PolarHBondContact O-N 2.98Å; T884-N887 PolarHBondContact O-N 3.15Å; T884-N887 VanDerWaalsContact O-N 3.14Å; T884-G888 PolarHBondContact O-N 3.42Å; T884-L892 HydrophobicContact CG2-CD1 4.18Å
885	L	64.4	Low	47.1	Very low	31 Å²	31	82.2 Å²	82.2	16%	0.162	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-31.6	171.6	-64.8	178.6	0	0	0	113.3	K319 L322 T323 L881 F882 S883 F889	K319-L885 HydrophobicContact CB-CD1 4.14Å; K319-L885 HydrophobicContact CG-CD1 4.48Å; L322-L885 HydrophobicContact CD1-CD2 3.61Å; T323-L885 HydrophobicContact CG2-CD1 3.56Å; L881-L885 WeakPolarHBondContact O-CG 3.3Å; L881-L885 PolarHBondContact O-N 3.49Å; F882-L885 HydrophobicContact CD2-CD1 4.48Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.36Å; L885-F889 HydrophobicContact CD2-CE2 4.2Å
886	L	63.9	Low	46.3	Very low	9 Å²	9	80.5 Å²	80.5	5%	0.047	41%	0.405	C	S	.	.	H	α-helix	trans	-77.6	-24	171.7	-75.3	169.8	0	0	0	113.5	P315 F816 Q817 L859 K862 F882 S883 T884	P315-L886 HydrophobicContact CB-CD2 3.79Å; P315-L886 HydrophobicContact CG-CD2 3.86Å; F816-L886 HydrophobicContact CB-CD2 4.22Å; Q817-L886 WeakPolarHBondContact CG-O 3.49Å; L859-L886 HydrophobicContact CD2-CD2 4.36Å; K862-L886 HydrophobicContact CB-CD1 3.85Å; F882-L886 HydrophobicContact CD1-CD1 4.2Å; F882-L886 HydrophobicContact CE1-CD1 3.96Å; F882-L886 HydrophobicContact CZ-CD1 4.49Å; F882-L886 WeakPolarHBondContact O-CG 3.47Å; F882-L886 PolarHBondContact O-N 2.89Å; F882-L886 VanDerWaalsContact O-N 3.12Å; S883-L886 CarbonylContact O-C 2.91Å; S883-L886 WeakPolarHBondContact O-CB 3.32Å; S883-L886 PolarHBondContact O-N 3.43Å; S883-L886 VanDerWaalsContact O-N 3.14Å; T884-L886 VanDerWaalsContact C-N 3.3Å; T884-L886 PolarHBondContact O-N 2.98Å
887	N	51.6	Low	46.6	Very low	20 Å²	20	74.5 Å²	74.5	11%	0.107	38%	0.381	C	S	.	.	H	α-helix	trans	-82.1	-23.3	177.5	-72.5	-13.1	0	0	0	113.3	Q817 S883 T884 Y891	Q817-N887 PolarHBondContact NE2-OD1 2.95Å; S883-N887 VanDerWaalsContact O-CG 3.22Å; S883-N887 PolarHBondContact O-N 2.84Å; S883-N887 PolarHBondContact O-OD1 3.4Å; T884-N887 PolarHBondContact O-N 3.15Å; T884-N887 VanDerWaalsContact O-N 3.14Å; N887-Y891 HydrophobicContact CB-CD2 4.35Å
888	G	52.8	Low	46.7	Very low	7 Å²	7	69.1 Å²	69.1	7%	0.072	37%	0.366	C	S	.	.			trans	73.6	161.5	-159.3	0	0	0	0	0	111.2	D348 T884 T890	D348-G888 WeakPolarHBondContact OD2-CA 3.3Å; T884-G888 PolarHBondContact O-N 3.42Å; G888-T890 PolarHBondContact O-N 3.24Å
889	F	46.3	Very low	47.1	Very low	23 Å²	23	64.9 Å²	64.9	10%	0.101	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-73.9	-4.2	-177.4	-85.5	-99.5	0	0	0	113.9	V345 D348 V562 M566 L885 Y891	V345-F889 HydrophobicContact CB-CE2 4.24Å; V345-F889 HydrophobicContact CB-CZ 4.17Å; V345-F889 HydrophobicContact CG1-CD1 4.11Å; V345-F889 HydrophobicContact CG1-CE1 3.73Å; V345-F889 HydrophobicContact CG1-CE2 4.22Å; V345-F889 HydrophobicContact CG1-CG 4.5Å; V345-F889 HydrophobicContact CG1-CZ 3.8Å; V345-F889 HydrophobicContact CG2-CE2 4.09Å; V345-F889 HydrophobicContact CG2-CZ 3.85Å; V345-F889 VanDerWaalsContact O-CD2 3.29Å; V345-F889 WeakPolarHBondContact O-CD2 3.47Å; V345-F889 VanDerWaalsContact O-CG 3.32Å; V345-F889 WeakPolarHBondContact O-CG 3.29Å; D348-F889 PolarHBondContact OD2-N 2.8Å; V562-F889 HydrophobicContact CG1-CD1 4.18Å; V562-F889 HydrophobicContact CG1-CE1 3.22Å; V562-F889 HydrophobicContact CG1-CZ 3.52Å; M566-F889 HydrophobicContact CE-CD1 3.79Å; M566-F889 HydrophobicContact CE-CE1 3.74Å; L885-F889 HydrophobicContact CD2-CE2 4.2Å; F889-Y891 PolarHBondContact O-N 2.79Å
890	T	38.9	Very low	47	Very low	38 Å²	38	63.2 Å²	63.2	23%	0.233	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-64.7	-37.4	-173.7	22.9	0	0	0	0	115.3	D348 G888 L892 L893	D348-T890 HydrophobicContact CB-CG2 3.84Å; G888-T890 PolarHBondContact O-N 3.24Å; T890-L892 PolarHBondContact O-N 3.15Å; T890-L893 PolarHBondContact O-N 2.77Å
891	Y	35.8	Very low	46.6	Very low	155 Å²	155	62.8 Å²	62.8	61%	0.608	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-75.6	-2.9	-169.9	-78.4	-75.5	0	0	0	115.7	N887 F889	N887-Y891 HydrophobicContact CB-CD2 4.35Å; F889-Y891 PolarHBondContact O-N 2.79Å
892	L	35.2	Very low	45.9	Very low	100 Å²	100	65 Å²	65	52%	0.524	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-107.3	-2.6	178.5	-70	170.6	0	0	0	113.8	T884 T890	T884-L892 HydrophobicContact CG2-CD1 4.18Å; T890-L892 PolarHBondContact O-N 3.15Å
893	L	32.1	Very low	44.7	Very low	105 Å²	105	69.5 Å²	69.5	55%	0.55	36%	0.362	S	S	.	.	S	Bend	trans	-127.3	4.2	-174.4	-66.8	173.6	0	0	0	113.9	T890	T890-L893 PolarHBondContact O-N 2.77Å
894	E	30.8	Very low	43.6	Very low	113 Å²	113	73.8 Å²	73.8	53%	0.528	38%	0.383	S	S	.	.	S	Bend	trans	-97.3	1.2	175.1	-67.1	-167.4	159.2	0	0	113.5	R350	R350-E894 IonicContact CZ-OE1 3.43Å; R350-E894 IonicContact NE-OE1 2.75Å; R350-E894 IonicContact NH2-OE1 3.57Å; R350-E894 PolarHBondContact NH2-OE1 3.1Å
895	E	28.2	Very low	42.2	Very low	195 Å²	195	79.2 Å²	79.2	91%	0.911	41%	0.41	S	S	*	.			trans	-123.2	11.9	178	-63.3	-165.5	145.4	0	0	114.3
896	S	26	Very low	40.1	Very low	154 Å²	154	83.5 Å²	83.5	100%	1.077	43%	0.433	S	S	*	.			trans	-115.8	0	-177.7	66.9	0	0	0	0	113.7

Retrieved 896 of 896 residues in 197.6 ms (Link to these results)

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