A0A087YCG6_POEFO Loading...

MORC family CW-type zinc finger 2

AlphaFold DB , UniProt , Accession A0A087YCG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,050 aa.

						>A0A087YCG6_POEFO|A0A087YCG6
MAYSSYSNLSRAQLTFEYLHTNSTTHEFLFGALAELVDNSRDANATRIDIYTEKRPELRGGFMLFFLDDGIGMDPIEATHVIQFGKSNKRSPESTQIGQYGNGLKSGSMRIGKDFILFTKKDNTLTCLFLSRTFHEEEGLDEVIVPLPSWDLKTKEPLTSDPEKYAIETELIFKYSPFKNEHQLMEQFNKIESSSGTLVVVYNLKLMDNGEPELDVESDHQDILMAGTPAEGVKPERRSFRAYTAVLYIDPRMRIFIQGHKVRTKRLSCCLYKPRVYKYSSTRFKTRAEQEVKKADHLAKIAEEKAREAESKSVAMEARLGSDLSKESRAILRKVQDSAMMLRRDADIRKRNLEAKQKALKEPKDLNFIFGVNIGQRELDGMFVYNCSRLIKMYEKTGPQLEGGMACGGVVGVVDVPYLVLEPTHNKQDFADAKEYRHLLKAMGEHLAQYWKDTNIAQKGIVKFWDEFGYLSASWAAPPSTELRYKRRRAMEIPITIQCDKCLKWRTLPFQMDAVDKRYPDSWVCLMNPDSNQDRCDAPEQKQNFPVGVLKKDKPTAEDKQKELAEKIKQQQEKLEALQKTSTIKSAGDIKKLPLEVSMKPTETSGQATRSSERTATRPRSPPLPAHLKNAPSIPPSRTASQRPTRASAAPPTPLKPELSRTRGAAKTPPSETKATPKASAKTPPPSRSSRSLTKASPIKPAAAGQRKRIIEQEESEDEEDDDDDDEEEEEDSEEEMEEEPQSKKSKMATAASNRGKVVEKAPPPKRGKVDEDKTHSHAEKKGLSTPARQQPPTPASVSKAVPTQQQGAKEKVPEKTQQKEPENDTKNAQKDKGLLVEVRVNKEWFTGKVIAVEANKQSVRWKVKFDYVPRATPKDRWVFKGSDEVRLMRPPSPNSQTPDTQQETEKGSAPMEPDTTQPGTSREVTDSLVAMLRTMLRYFFPPAFRIPKDDVNSMTAEELMAFPLKEYFQQYESGLQSLCNSYQSRADARAKAVEEKNNNTEVKLKEADEKLQKLRTNIVALLQKVQEDIDINTDDELDAYIEDLLTKGD
					

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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	54.4	Low	86.1	Confident	243 Å²	243	134.5 Å²	134.5	100%	1.197	71%	0.709	S	S	*	*				0	121.2	0	-69.6	177.9	-85.9	0	0	107.8
2	A	73	Confident	86.7	Confident	75 Å²	75	132.4 Å²	132.4	62%	0.62	73%	0.726	S	S	*	*			trans	-116.3	143.6	173.1	0	0	0	0	0	107.9	Y6	A2-Y6 HydrophobicContact CB-CD2 4.25Å; A2-Y6 HydrophobicContact CB-CE2 3.76Å
3	Y	83.9	Confident	87	Confident	218 Å²	218	133 Å²	133	86%	0.855	72%	0.721	S	S	*	*	S	Bend	trans	-74.9	-29.2	-177.2	179.7	-97.9	0	0	0	112.5
4	S	91	Very high	87.4	Confident	64 Å²	64	128 Å²	128	45%	0.448	69%	0.693	S	S	.	*	S	Bend	trans	-152.3	174.6	177.9	60	0	0	0	0	110.6	Y6	S4-Y6 PolarHBondContact O-N 2.73Å; S4-Y6 WeakPolarHBondContact OG-CE1 3.44Å
5	S	90.1	Very high	87.8	Confident	96 Å²	96	123.5 Å²	123.5	67%	0.671	67%	0.671	S	S	*	*			trans	-70.5	119	170.9	-175.7	0	0	0	0	110.7	S7	S5-S7 VanDerWaalsContact C-N 3.3Å; S5-S7 WeakPolarHBondContact OG-CB 3.36Å; S5-S7 PolarHBondContact OG-N 3.48Å; S5-S7 PolarHBondContact OG-OG 3.01Å
6	Y	92.1	Very high	88.1	Confident	122 Å²	122	117 Å²	117	48%	0.478	64%	0.635	S	S	.	*			trans	-92.1	16	171.6	-54.8	-52.8	0	0	0	112.8	A2 S4 N8 L9	A2-Y6 HydrophobicContact CB-CD2 4.25Å; A2-Y6 HydrophobicContact CB-CE2 3.76Å; S4-Y6 PolarHBondContact O-N 2.73Å; S4-Y6 WeakPolarHBondContact OG-CE1 3.44Å; Y6-N8 PolarHBondContact O-N 2.97Å; Y6-N8 VanDerWaalsContact O-N 3.08Å; Y6-L9 HydrophobicContact CD1-CD1 3.84Å; Y6-L9 HydrophobicContact CG-CD1 4.24Å; Y6-L9 PolarHBondContact O-N 2.83Å; Y6-L9 VanDerWaalsContact O-N 3.13Å
7	S	91.4	Very high	88.3	Confident	69 Å²	69	115.5 Å²	115.5	48%	0.483	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52.5	-31.7	-179.1	53.3	0	0	0	0	114	S5	S5-S7 VanDerWaalsContact C-N 3.3Å; S5-S7 WeakPolarHBondContact OG-CB 3.36Å; S5-S7 PolarHBondContact OG-N 3.48Å; S5-S7 PolarHBondContact OG-OG 3.01Å
8	N	92	Very high	88.7	Confident	150 Å²	150	114.3 Å²	114.3	80%	0.802	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	4.3	-172.3	-55.5	6	0	0	0	112.9	Y6	Y6-N8 PolarHBondContact O-N 2.97Å; Y6-N8 VanDerWaalsContact O-N 3.08Å
9	L	93.8	Very high	88.9	Confident	114 Å²	114	108.4 Å²	108.4	60%	0.597	58%	0.577	S	S	*	*	S	Bend	trans	-89.4	137.2	175.4	-60.4	-173.7	0	0	0	110.6	Y6 R11	Y6-L9 HydrophobicContact CD1-CD1 3.84Å; Y6-L9 HydrophobicContact CG-CD1 4.24Å; Y6-L9 PolarHBondContact O-N 2.83Å; Y6-L9 VanDerWaalsContact O-N 3.13Å; L9-R11 PolarHBondContact O-N 3.31Å
10	S	92.6	Very high	89.1	Confident	129 Å²	129	107.2 Å²	107.2	90%	0.902	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-56.1	132.8	172.9	-51.4	0	0	0	0	110.8
11	R	92.7	Very high	89.4	Confident	199 Å²	199	106 Å²	106	75%	0.751	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-93.4	153.1	175.8	-60.2	-178.5	-175.9	-176	1.7	109.7	L9 Q13	L9-R11 PolarHBondContact O-N 3.31Å; R11-Q13 PolarHBondContact O-N 2.73Å
12	A	93.8	Very high	91.2	Very high	110 Å²	110	94.8 Å²	94.8	91%	0.909	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-68.1	127.9	161.9	0	0	0	0	0	108.5
13	Q	90.1	Very high	92.3	Very high	140 Å²	140	91.3 Å²	91.3	65%	0.654	48%	0.481	S	S	*	.			trans	-110	162.5	177.3	-69.3	174.4	-89.1	0	0	110	R11 E142	R11-Q13 PolarHBondContact O-N 2.73Å; Q13-E142 PolarHBondContact NE2-OE1 3.46Å
14	L	92.9	Very high	92.8	Very high	63 Å²	63	85.5 Å²	85.5	33%	0.33	47%	0.468	S	S	.	.			trans	-107.9	121.6	174.3	-65.9	167.8	0	0	0	108.3	Y18 F84 V143	L14-Y18 HydrophobicContact CD2-CD1 3.64Å; L14-Y18 HydrophobicContact CD2-CE1 3.96Å; L14-Y18 HydrophobicContact CD2-CG 4.08Å; L14-F84 HydrophobicContact CD1-CB 4.08Å; L14-F84 HydrophobicContact CD1-CD2 3.24Å; L14-F84 HydrophobicContact CD1-CE2 3.76Å; L14-F84 HydrophobicContact CD1-CG 3.73Å; L14-V143 HydrophobicContact CB-CG2 4.39Å
15	T	93.4	Very high	92.9	Very high	60 Å²	60	83.9 Å²	83.9	37%	0.368	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-83.9	157.1	169.9	58.9	0	0	0	0	110.8	E17 Y18 D141	T15-E17 VanDerWaalsContact C-N 3.25Å; T15-E17 PolarHBondContact O-N 3.4Å; T15-Y18 WeakPolarHBondContact O-CB 3.49Å; T15-Y18 PolarHBondContact O-N 2.97Å; T15-D141 CarbonylContact C-O 3.56Å; T15-D141 WeakPolarHBondContact CA-O 3.3Å; T15-D141 WeakPolarHBondContact CB-OD1 3.46Å
16	F	91.7	Very high	93.1	Very high	20 Å²	20	79.4 Å²	79.4	9%	0.088	42%	0.424	C	S	.	.	H	α-helix	trans	-52.8	-41.1	175.4	143.7	-92.1	0	0	0	112.2	Y18 L19 R132 H135 E136 L140 D141	F16-Y18 PolarHBondContact O-N 3.44Å; F16-L19 VanDerWaalsContact O-CB 3.25Å; F16-L19 WeakPolarHBondContact O-CB 3.39Å; F16-L19 WeakPolarHBondContact O-CG 3.48Å; F16-L19 PolarHBondContact O-N 2.74Å; F16-R132 HydrophobicContact CD2-CG 4.27Å; F16-R132 HydrophobicContact CE2-CB 3.92Å; F16-R132 HydrophobicContact CE2-CG 3.8Å; F16-H135 HydrophobicContact CB-CB 4.5Å; F16-H135 HydrophobicContact CD2-CB 3.5Å; F16-H135 HydrophobicContact CE2-CB 4Å; F16-H135 HydrophobicContact CG-CB 4.13Å; F16-E136 HydrophobicContact CE1-CG 4.25Å; F16-E136 HydrophobicContact CE2-CG 3.66Å; F16-E136 HydrophobicContact CZ-CG 3.33Å; F16-E136 WeakPolarHBondContact CZ-OE1 3.33Å; F16-L140 WeakPolarHBondContact CB-O 3.34Å; F16-D141 PolarHBondContact N-O 2.86Å
17	E	92.7	Very high	93.2	Very high	91 Å²	91	82.4 Å²	82.4	43%	0.425	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-17	176.8	-76.7	-64.2	175.5	0	0	114.1	T15 L19 H20 T21	T15-E17 VanDerWaalsContact C-N 3.25Å; T15-E17 PolarHBondContact O-N 3.4Å; E17-L19 PolarHBondContact O-N 2.76Å; E17-H20 PolarHBondContact O-N 3.08Å; E17-T21 PolarHBondContact O-N 3.36Å; E17-T21 PolarHBondContact O-OG1 3.47Å
18	Y	94.9	Very high	93.3	Very high	95 Å²	95	80.9 Å²	80.9	37%	0.373	43%	0.427	S	S	.	.	H	α-helix	trans	-65.3	-29.2	170.4	-168.8	-97	0	0	0	111.7	L14 T15 F16 H20 T21 N22 F84	L14-Y18 HydrophobicContact CD2-CD1 3.64Å; L14-Y18 HydrophobicContact CD2-CE1 3.96Å; L14-Y18 HydrophobicContact CD2-CG 4.08Å; T15-Y18 WeakPolarHBondContact O-CB 3.49Å; T15-Y18 PolarHBondContact O-N 2.97Å; F16-Y18 PolarHBondContact O-N 3.44Å; Y18-H20 VanDerWaalsContact C-N 3.28Å; Y18-H20 PolarHBondContact O-N 3.23Å; Y18-T21 PolarHBondContact O-N 2.83Å; Y18-N22 HydrophobicContact CD1-CB 4.3Å; Y18-N22 HydrophobicContact CE1-CB 4.06Å; Y18-N22 WeakPolarHBondContact O-CB 3.33Å; Y18-N22 PolarHBondContact O-N 2.79Å; Y18-F84 HydrophobicContact CD1-CE1 4.49Å; Y18-F84 HydrophobicContact CE1-CD1 4.23Å; Y18-F84 HydrophobicContact CE1-CE1 4.29Å
19	L	93	Very high	93.6	Very high	2 Å²	2	74 Å²	74	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-61.2	-38.9	173.7	-58.2	178.7	0	0	0	111.3	F16 E17 S23 F84 M109 L130 R132 V143	F16-L19 VanDerWaalsContact O-CB 3.25Å; F16-L19 WeakPolarHBondContact O-CB 3.39Å; F16-L19 WeakPolarHBondContact O-CG 3.48Å; F16-L19 PolarHBondContact O-N 2.74Å; E17-L19 PolarHBondContact O-N 2.76Å; L19-S23 PolarHBondContact O-N 3.3Å; L19-F84 HydrophobicContact CD2-CZ 3.9Å; L19-M109 HydrophobicContact CB-CG 4.31Å; L19-M109 HydrophobicContact CB-SD 4.15Å; L19-M109 HydrophobicContact CD1-SD 4.44Å; L19-L130 HydrophobicContact CD1-CD1 4.06Å; L19-L130 HydrophobicContact CD1-CD2 4.35Å; L19-L130 HydrophobicContact CD1-CG 4.43Å; L19-L130 HydrophobicContact CD2-CD2 4.25Å; L19-R132 HydrophobicContact CD1-CG 4.15Å; L19-V143 HydrophobicContact CD1-CG1 4.24Å; L19-V143 HydrophobicContact CD1-CG2 4.22Å; L19-V143 HydrophobicContact CD2-CG1 4.42Å; L19-V143 HydrophobicContact CD2-CG2 4.38Å; L19-V143 HydrophobicContact CG-CG2 4.16Å
20	H	92.7	Very high	93.8	Very high	84 Å²	84	68.5 Å²	68.5	39%	0.389	36%	0.361	S	S	.	.	H	α-helix	trans	-67.2	-52.7	171.2	-166.9	15.3	0	0	0	111.3	E17 Y18 N22 S23 T24 R132	E17-H20 PolarHBondContact O-N 3.08Å; Y18-H20 VanDerWaalsContact C-N 3.28Å; Y18-H20 PolarHBondContact O-N 3.23Å; H20-N22 PolarHBondContact O-N 2.98Å; H20-S23 PolarHBondContact ND1-OG 3.41Å; H20-S23 WeakPolarHBondContact O-CB 3.38Å; H20-S23 PolarHBondContact O-N 2.6Å; H20-S23 PolarHBondContact O-OG 2.72Å; H20-T24 PolarHBondContact O-N 3.28Å; H20-R132 VanDerWaalsContact CB-NH1 3.28Å
21	T	94.8	Very high	94	Very high	83 Å²	83	62.4 Å²	62.4	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-54.4	-40.8	-176.5	-55.8	0	0	0	0	111.4	E17 Y18 S23 T24	E17-T21 PolarHBondContact O-N 3.36Å; E17-T21 PolarHBondContact O-OG1 3.47Å; Y18-T21 PolarHBondContact O-N 2.83Å; T21-S23 PolarHBondContact O-N 3.05Å; T21-T24 PolarHBondContact O-N 3.48Å; T21-T24 PolarHBondContact O-OG1 2.97Å
22	N	93.1	Very high	94.3	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.032	28%	0.283	C	S	.	.	H	α-helix	trans	-66.4	-33.4	177.3	-170	40.6	0	0	0	113.6	Y18 H20 T25 N102 S106 H425	Y18-N22 HydrophobicContact CD1-CB 4.3Å; Y18-N22 HydrophobicContact CE1-CB 4.06Å; Y18-N22 WeakPolarHBondContact O-CB 3.33Å; Y18-N22 PolarHBondContact O-N 2.79Å; H20-N22 PolarHBondContact O-N 2.98Å; N22-T25 VanDerWaalsContact O-CG2 3.28Å; N22-T25 WeakPolarHBondContact O-CG2 3.44Å; N22-N102 PolarHBondContact ND2-ND2 3.33Å; N22-N102 PolarHBondContact ND2-OD1 3.39Å; N22-N102 PolarHBondContact OD1-ND2 3.23Å; N22-S106 PolarHBondContact ND2-N 2.6Å; N22-S106 WeakPolarHBondContact O-CB 3.27Å; N22-H425 PolarHBondContact OD1-CE1 3.19Å
23	S	95.3	Very high	94.5	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-71.5	-27.2	179.2	72.1	0	0	0	0	113.9	L19 H20 T21 T25 H26 M109	L19-S23 PolarHBondContact O-N 3.3Å; H20-S23 PolarHBondContact ND1-OG 3.41Å; H20-S23 WeakPolarHBondContact O-CB 3.38Å; H20-S23 PolarHBondContact O-N 2.6Å; H20-S23 PolarHBondContact O-OG 2.72Å; T21-S23 PolarHBondContact O-N 3.05Å; S23-T25 PolarHBondContact O-N 3.45Å; S23-T25 VanDerWaalsContact O-N 3.07Å; S23-H26 PolarHBondContact O-N 3.37Å; S23-M109 VanDerWaalsContact CB-C 3.46Å; S23-M109 WeakPolarHBondContact CB-O 2.91Å
24	T	94.6	Very high	94.9	Very high	95 Å²	95	41 Å²	41	58%	0.583	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-12	-177.1	69.5	0	0	0	0	113.4	H20 T21 H26	H20-T24 PolarHBondContact O-N 3.28Å; T21-T24 PolarHBondContact O-N 3.48Å; T21-T24 PolarHBondContact O-OG1 2.97Å; T24-H26 PolarHBondContact O-N 3.35Å; T24-H26 VanDerWaalsContact O-N 3.17Å
25	T	92.6	Very high	95.2	Very high	31 Å²	31	38.2 Å²	38.2	19%	0.19	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.8	173.8	-161.8	0	0	0	0	113.6	N22 S23 H425 N426	N22-T25 VanDerWaalsContact O-CG2 3.28Å; N22-T25 WeakPolarHBondContact O-CG2 3.44Å; S23-T25 PolarHBondContact O-N 3.45Å; S23-T25 VanDerWaalsContact O-N 3.07Å; T25-H425 WeakPolarHBondContact CB-ND1 3.46Å; T25-H425 PolarHBondContact OG1-ND1 3.49Å; T25-N426 HydrophobicContact CG2-CB 4.21Å; T25-N426 VanDerWaalsContact O-CB 3.24Å; T25-N426 WeakPolarHBondContact O-CB 3.4Å; T25-N426 PolarHBondContact O-ND2 2.97Å
26	H	95.1	Very high	95.4	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	18%	0.177	C	C	.	.			trans	-104.1	79.7	-174.3	-71.3	-62.7	0	0	0	111.6	S23 T24 A32 S106 R110	S23-H26 PolarHBondContact O-N 3.37Å; T24-H26 PolarHBondContact O-N 3.35Å; T24-H26 VanDerWaalsContact O-N 3.17Å; H26-A32 HydrophobicContact CB-CB 4Å; H26-S106 PolarHBondContact CD2-O 2.89Å; H26-S106 PolarHBondContact NE2-OG 3.42Å; H26-S106 VanDerWaalsContact NE2-OG 3.13Å; H26-R110 HydrophobicContact CB-CB 4.17Å; H26-R110 HydrophobicContact CB-CG 3.71Å; H26-R110 VanDerWaalsContact O-CD 3.31Å; H26-R110 WeakPolarHBondContact O-CD 3.48Å; H26-R110 PolarHBondContact O-NE 3.13Å
27	E	93.1	Very high	95.7	Very high	185 Å²	185	34.7 Å²	34.7	86%	0.864	17%	0.173	S	C	*	.	S	Bend	trans	-61	-46.9	167.7	-175.6	-175.4	179.3	0	0	110.7	L29	E27-L29 PolarHBondContact O-N 2.93Å
28	F	94.9	Very high	96	Very high	37 Å²	37	30.3 Å²	30.3	16%	0.162	15%	0.153	C	C	.	.	S	Bend	trans	-83.7	105.6	175.4	179.7	-130.9	0	0	0	111	F30 G31 R237 Y243	F28-F30 HydrophobicContact CE1-CB 3.93Å; F28-F30 HydrophobicContact CE2-CB 4.06Å; F28-F30 HydrophobicContact CE2-CD2 4.02Å; F28-F30 HydrophobicContact CE2-CG 4.3Å; F28-F30 HydrophobicContact CZ-CB 3.66Å; F28-F30 AromaticContact CZ-CD2 3.87Å; F28-F30 HydrophobicContact CZ-CD2 3.87Å; F28-F30 HydrophobicContact CZ-CG 4.19Å; F28-F30 PolarHBondContact O-N 3.21Å; F28-G31 WeakPolarHBondContact O-CA 3.27Å; F28-G31 PolarHBondContact O-N 2.92Å; F28-R237 HydrophobicContact CE2-CB 4.49Å; F28-R237 HydrophobicContact CE2-CG 4.37Å; F28-Y243 HydrophobicContact CE1-CE1 4.17Å; F28-Y243 HydrophobicContact CE1-CE2 4.09Å; F28-Y243 AromaticContact CE1-CZ 3.86Å
29	L	97	Very high	96.1	Very high	4 Å²	4	28 Å²	28	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-39.4	-172.5	-178.5	54.9	0	0	0	113.8	E27 G31 A32 L33 R110 I111 E213 L214 M225	E27-L29 PolarHBondContact O-N 2.93Å; L29-G31 PolarHBondContact O-N 3.42Å; L29-A32 WeakPolarHBondContact O-CA 3.32Å; L29-A32 VanDerWaalsContact O-CB 3.27Å; L29-A32 WeakPolarHBondContact O-CB 3.43Å; L29-A32 PolarHBondContact O-N 2.95Å; L29-L33 HydrophobicContact CD1-CD1 4.1Å; L29-L33 HydrophobicContact CG-CD1 4.02Å; L29-L33 WeakPolarHBondContact O-CD1 3.26Å; L29-L33 PolarHBondContact O-N 3.41Å; L29-R110 HydrophobicContact CD1-CG 3.94Å; L29-I111 HydrophobicContact CD1-CG1 3.96Å; L29-E213 HydrophobicContact CD2-CB 3.65Å; L29-L214 HydrophobicContact CD2-CD2 3.52Å; L29-L214 HydrophobicContact CD2-CG 3.91Å; L29-L214 HydrophobicContact CG-CD2 4.1Å; L29-M225 HydrophobicContact CB-CE 4.01Å; L29-M225 HydrophobicContact CB-SD 3.96Å; L29-M225 HydrophobicContact CD2-CE 3.96Å; L29-M225 HydrophobicContact CD2-SD 4.21Å; L29-M225 HydrophobicContact CG-SD 4.45Å
30	F	98.4	Very high	96.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-21.6	174.7	-62.9	-20.8	0	0	0	113.5	F28 A32 L33 A34 L214 I223 M225 R238 S239 F240 Y243	F28-F30 HydrophobicContact CE1-CB 3.93Å; F28-F30 HydrophobicContact CE2-CB 4.06Å; F28-F30 HydrophobicContact CE2-CD2 4.02Å; F28-F30 HydrophobicContact CE2-CG 4.3Å; F28-F30 HydrophobicContact CZ-CB 3.66Å; F28-F30 AromaticContact CZ-CD2 3.87Å; F28-F30 HydrophobicContact CZ-CD2 3.87Å; F28-F30 HydrophobicContact CZ-CG 4.19Å; F28-F30 PolarHBondContact O-N 3.21Å; F30-A32 VanDerWaalsContact C-N 3.3Å; F30-L33 HydrophobicContact CD1-CD1 4.48Å; F30-L33 HydrophobicContact CD1-CD2 4.5Å; F30-L33 PolarHBondContact O-N 3Å; F30-A34 WeakPolarHBondContact O-CB 3.46Å; F30-A34 PolarHBondContact O-N 3Å; F30-L214 HydrophobicContact CE1-CD2 4.08Å; F30-I223 WeakPolarHBondContact CZ-O 3.3Å; F30-M225 HydrophobicContact CD1-SD 3.96Å; F30-M225 HydrophobicContact CE1-CG 4.05Å; F30-M225 HydrophobicContact CE1-SD 3.64Å; F30-M225 HydrophobicContact CE2-CG 4Å; F30-M225 HydrophobicContact CE2-SD 4.48Å; F30-M225 HydrophobicContact CZ-CG 3.68Å; F30-M225 HydrophobicContact CZ-SD 3.94Å; F30-R238 WeakPolarHBondContact CZ-O 3.34Å; F30-S239 VanDerWaalsContact CE2-C 3.43Å; F30-F240 HydrophobicContact CB-CD2 3.92Å; F30-F240 HydrophobicContact CB-CE2 4.22Å; F30-F240 HydrophobicContact CD1-CB 4.19Å; F30-F240 AromaticContact CD1-CD2 3.73Å; F30-F240 HydrophobicContact CD1-CD2 3.73Å; F30-F240 HydrophobicContact CD1-CG 4.27Å; F30-F240 HydrophobicContact CD2-CD2 4.18Å; F30-F240 HydrophobicContact CE1-CB 3.82Å; F30-F240 HydrophobicContact CE1-CD2 4.25Å; F30-F240 HydrophobicContact CE1-CG 4.35Å; F30-F240 HydrophobicContact CE2-CB 4.17Å; F30-F240 AromaticContact CG-CD2 3.7Å; F30-F240 HydrophobicContact CG-CD2 3.7Å; F30-F240 HydrophobicContact CG-CE2 4.46Å; F30-F240 HydrophobicContact CZ-CB 3.8Å; F30-Y243 HydrophobicContact CB-CD1 3.68Å; F30-Y243 HydrophobicContact CB-CE1 3.86Å; F30-Y243 HydrophobicContact CD2-CD1 4.43Å; F30-Y243 HydrophobicContact CG-CD1 4.44Å; F30-Y243 WeakPolarHBondContact O-CE1 3.29Å
31	G	97.7	Very high	96.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-38	169	0	0	0	0	0	112.4	F28 L29 A34 E35	F28-G31 WeakPolarHBondContact O-CA 3.27Å; F28-G31 PolarHBondContact O-N 2.92Å; L29-G31 PolarHBondContact O-N 3.42Å; G31-A34 PolarHBondContact O-N 3.5Å; G31-E35 PolarHBondContact O-N 3.15Å
32	A	98.2	Very high	96.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.7	-40.4	173.4	0	0	0	0	0	112.5	H26 L29 F30 A34 E35 L36 R110 I111	H26-A32 HydrophobicContact CB-CB 4Å; L29-A32 WeakPolarHBondContact O-CA 3.32Å; L29-A32 VanDerWaalsContact O-CB 3.27Å; L29-A32 WeakPolarHBondContact O-CB 3.43Å; L29-A32 PolarHBondContact O-N 2.95Å; F30-A32 VanDerWaalsContact C-N 3.3Å; A32-A34 VanDerWaalsContact C-N 3.35Å; A32-E35 WeakPolarHBondContact O-CB 3.22Å; A32-E35 PolarHBondContact O-N 2.83Å; A32-L36 WeakPolarHBondContact O-CD1 3.48Å; A32-R110 HydrophobicContact CB-CB 3.89Å; A32-R110 HydrophobicContact CB-CG 3.81Å; A32-I111 HydrophobicContact CB-CD1 4.29Å; A32-I111 HydrophobicContact CB-CG1 4.09Å
33	L	98.6	Very high	96.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-41.2	174.7	-77.5	76.4	0	0	0	110.9	L29 F30 E35 L36 V37 L64 F66 I111 F240	L29-L33 HydrophobicContact CD1-CD1 4.1Å; L29-L33 HydrophobicContact CG-CD1 4.02Å; L29-L33 WeakPolarHBondContact O-CD1 3.26Å; L29-L33 PolarHBondContact O-N 3.41Å; F30-L33 HydrophobicContact CD1-CD1 4.48Å; F30-L33 HydrophobicContact CD1-CD2 4.5Å; F30-L33 PolarHBondContact O-N 3Å; L33-E35 VanDerWaalsContact C-N 3.26Å; L33-E35 PolarHBondContact O-N 3.45Å; L33-L36 PolarHBondContact O-N 2.91Å; L33-V37 PolarHBondContact O-N 3.32Å; L33-L64 HydrophobicContact CD2-CD2 4.21Å; L33-L64 HydrophobicContact CG-CD2 4.47Å; L33-F66 HydrophobicContact CB-CE1 4.44Å; L33-F66 HydrophobicContact CB-CZ 4.34Å; L33-F66 HydrophobicContact CD2-CZ 4.4Å; L33-F66 HydrophobicContact CG-CZ 4.09Å; L33-I111 HydrophobicContact CB-CD1 4.48Å; L33-I111 HydrophobicContact CD1-CD1 3.73Å; L33-I111 HydrophobicContact CD1-CG1 3.75Å; L33-I111 HydrophobicContact CG-CD1 3.84Å; L33-I111 HydrophobicContact CG-CG1 4.41Å; L33-F240 HydrophobicContact CB-CD2 4.46Å; L33-F240 HydrophobicContact CB-CE1 4.35Å; L33-F240 HydrophobicContact CB-CE2 3.6Å; L33-F240 HydrophobicContact CB-CZ 3.55Å; L33-F240 HydrophobicContact CD2-CD1 4.06Å; L33-F240 HydrophobicContact CD2-CD2 4.19Å; L33-F240 HydrophobicContact CD2-CE1 3.89Å; L33-F240 HydrophobicContact CD2-CE2 4.03Å; L33-F240 HydrophobicContact CD2-CG 4.23Å; L33-F240 HydrophobicContact CD2-CZ 3.89Å; L33-F240 HydrophobicContact CG-CE2 4.46Å; L33-F240 HydrophobicContact CG-CZ 4.38Å
34	A	98.4	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.8	-19.9	179.4	0	0	0	0	0	114.1	F30 G31 A32 L36 V37 D38 Y243 L247	F30-A34 WeakPolarHBondContact O-CB 3.46Å; F30-A34 PolarHBondContact O-N 3Å; G31-A34 PolarHBondContact O-N 3.5Å; A32-A34 VanDerWaalsContact C-N 3.35Å; A34-L36 PolarHBondContact O-N 3.01Å; A34-V37 PolarHBondContact O-N 3.02Å; A34-D38 WeakPolarHBondContact O-CB 3.31Å; A34-D38 PolarHBondContact O-N 2.97Å; A34-Y243 HydrophobicContact CB-CE1 3.83Å; A34-L247 HydrophobicContact CB-CD1 3.95Å; A34-L247 HydrophobicContact CB-CD2 3.88Å
35	E	98.1	Very high	96.8	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.023	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-32.5	168.5	-73.8	-65.9	163.3	0	0	112.3	G31 A32 L33 N39 G103 K427	G31-E35 PolarHBondContact O-N 3.15Å; A32-E35 WeakPolarHBondContact O-CB 3.22Å; A32-E35 PolarHBondContact O-N 2.83Å; L33-E35 VanDerWaalsContact C-N 3.26Å; L33-E35 PolarHBondContact O-N 3.45Å; E35-N39 PolarHBondContact O-N 3.37Å; E35-N39 PolarHBondContact O-ND2 3.06Å; E35-G103 WeakPolarHBondContact CB-O 3.22Å; E35-G103 WeakPolarHBondContact OE2-CA 3.09Å; E35-K427 VanDerWaalsContact CD-NZ 3.34Å; E35-K427 WeakPolarHBondContact OE1-CD 3.41Å; E35-K427 VanDerWaalsContact OE1-CE 3.23Å; E35-K427 WeakPolarHBondContact OE1-CE 3.44Å; E35-K427 WeakPolarHBondContact OE1-CG 3.33Å; E35-K427 IonicContact OE1-NZ 2.76Å; E35-K427 PolarHBondContact OE1-NZ 2.8Å; E35-K427 VanDerWaalsContact OE2-CE 3.31Å; E35-K427 WeakPolarHBondContact OE2-CE 3.48Å; E35-K427 IonicContact OE2-NZ 3.31Å; E35-K427 PolarHBondContact OE2-NZ 2.95Å
36	L	98.3	Very high	97	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-76.3	-45.3	176.9	-73.6	75.2	0	0	0	110.3	A32 L33 A34 D38 N39 S40 F66 L104 I111 V199 V201	A32-L36 WeakPolarHBondContact O-CD1 3.48Å; L33-L36 PolarHBondContact O-N 2.91Å; A34-L36 PolarHBondContact O-N 3.01Å; L36-D38 VanDerWaalsContact C-N 3.27Å; L36-D38 PolarHBondContact O-N 3.43Å; L36-N39 WeakPolarHBondContact O-CB 3.28Å; L36-N39 PolarHBondContact O-N 3.36Å; L36-S40 PolarHBondContact O-N 2.69Å; L36-S40 PolarHBondContact O-OG 2.74Å; L36-F66 HydrophobicContact CB-CD1 3.87Å; L36-F66 HydrophobicContact CB-CE1 4.04Å; L36-F66 HydrophobicContact CB-CG 4.21Å; L36-F66 HydrophobicContact CD2-CB 4.43Å; L36-F66 HydrophobicContact CD2-CD1 4.19Å; L36-F66 HydrophobicContact CD2-CD2 3.48Å; L36-F66 VanDerWaalsContact CD2-CD2 3.48Å; L36-F66 HydrophobicContact CD2-CE1 4.31Å; L36-F66 HydrophobicContact CD2-CE2 3.63Å; L36-F66 HydrophobicContact CD2-CG 3.79Å; L36-F66 HydrophobicContact CD2-CZ 4.05Å; L36-L104 HydrophobicContact CD1-CD1 4.33Å; L36-L104 HydrophobicContact CD2-CD1 4.11Å; L36-L104 HydrophobicContact CG-CD1 3.86Å; L36-I111 HydrophobicContact CD1-CD1 4.48Å; L36-V199 HydrophobicContact CD2-CB 4.17Å; L36-V199 HydrophobicContact CD2-CG1 3.9Å; L36-V201 HydrophobicContact CD2-CG2 4.41Å
37	V	98.6	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-37.8	175.5	-169.4	0	0	0	0	112	L33 A34 N39 S40 R41 I48 I50 F240 L247 Y248 M253 I255	L33-V37 PolarHBondContact O-N 3.32Å; A34-V37 PolarHBondContact O-N 3.02Å; V37-N39 VanDerWaalsContact C-N 3.31Å; V37-N39 PolarHBondContact O-N 3.31Å; V37-S40 PolarHBondContact O-N 3.21Å; V37-R41 PolarHBondContact O-N 3.44Å; V37-I48 HydrophobicContact CG1-CG2 4.47Å; V37-I48 HydrophobicContact CG2-CD1 4.32Å; V37-I50 HydrophobicContact CG2-CD1 3.74Å; V37-F240 HydrophobicContact CG2-CZ 4.19Å; V37-L247 HydrophobicContact CB-CD2 4.26Å; V37-L247 HydrophobicContact CG1-CD2 4.09Å; V37-Y248 HydrophobicContact CG1-CE2 4.08Å; V37-Y248 PolarHBondContact O-OH 2.75Å; V37-M253 HydrophobicContact CG1-CE 3.53Å; V37-I255 HydrophobicContact CG1-CD1 3.98Å; V37-I255 HydrophobicContact CG1-CG1 4.49Å
38	D	97.9	Very high	97.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-34.7	174.5	-70.2	-20.4	0	0	0	112.4	A34 L36 D42 I97 Y248 R389 K427	A34-D38 WeakPolarHBondContact O-CB 3.31Å; A34-D38 PolarHBondContact O-N 2.97Å; L36-D38 VanDerWaalsContact C-N 3.27Å; L36-D38 PolarHBondContact O-N 3.43Å; D38-D42 WeakPolarHBondContact O-CB 3.49Å; D38-D42 VanDerWaalsContact O-CG 3.28Å; D38-D42 PolarHBondContact O-N 3.34Å; D38-I97 HydrophobicContact CB-CB 4.36Å; D38-I97 HydrophobicContact CB-CD1 4.29Å; D38-I97 HydrophobicContact CB-CG2 4.19Å; D38-Y248 WeakPolarHBondContact CA-OH 3.34Å; D38-Y248 PolarHBondContact N-OH 3.3Å; D38-Y248 WeakPolarHBondContact OD1-CE1 3.42Å; D38-Y248 PolarHBondContact OD1-OH 3.27Å; D38-R389 VanDerWaalsContact CG-NE 3.29Å; D38-R389 WeakPolarHBondContact OD1-CD 3.43Å; D38-R389 IonicContact OD1-CZ 3.73Å; D38-R389 IonicContact OD1-NE 2.7Å; D38-R389 PolarHBondContact OD1-NE 3.45Å; D38-R389 IonicContact OD1-NH2 2.73Å; D38-R389 IonicContact OD2-CZ 3.96Å; D38-R389 VanDerWaalsContact OD2-CZ 3.27Å; D38-R389 IonicContact OD2-NE 2.74Å; D38-R389 PolarHBondContact OD2-NE 3.17Å; D38-R389 IonicContact OD2-NH2 2.72Å; D38-R389 PolarHBondContact OD2-NH2 3.08Å; D38-K427 WeakPolarHBondContact OD2-CD 3.4Å; D38-K427 IonicContact OD2-NZ 2.72Å; D38-K427 PolarHBondContact OD2-NZ 3.09Å
39	N	96.8	Very high	97.6	Very high	47 Å²	47	20.3 Å²	20.3	25%	0.251	10%	0.104	S	C	.	.	H	α-helix	trans	-70.6	-43.5	178.7	-71.8	-48.8	0	0	0	111.7	E35 L36 V37 D42 A43	E35-N39 PolarHBondContact O-N 3.37Å; E35-N39 PolarHBondContact O-ND2 3.06Å; L36-N39 WeakPolarHBondContact O-CB 3.28Å; L36-N39 PolarHBondContact O-N 3.36Å; V37-N39 VanDerWaalsContact C-N 3.31Å; V37-N39 PolarHBondContact O-N 3.31Å; N39-D42 PolarHBondContact O-N 2.74Å; N39-A43 WeakPolarHBondContact O-CB 3.4Å; N39-A43 PolarHBondContact O-N 3.08Å
40	S	97.9	Very high	97.7	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.028	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-41.7	175	-51.6	0	0	0	0	111.8	L36 V37 A43 N44 A45 I48 D68	L36-S40 PolarHBondContact O-N 2.69Å; L36-S40 PolarHBondContact O-OG 2.74Å; V37-S40 PolarHBondContact O-N 3.21Å; S40-A43 CarbonylContact O-C 3.59Å; S40-A43 PolarHBondContact O-N 3.29Å; S40-N44 PolarHBondContact O-N 2.64Å; S40-A45 VanDerWaalsContact O-CB 3.27Å; S40-A45 WeakPolarHBondContact O-CB 3.3Å; S40-A45 PolarHBondContact O-N 2.9Å; S40-I48 WeakPolarHBondContact OG-CD1 3.46Å; S40-D68 WeakPolarHBondContact CB-OD2 3.5Å; S40-D68 PolarHBondContact OG-OD2 2.99Å
41	R	96.9	Very high	97.7	Very high	54 Å²	54	22.3 Å²	22.3	20%	0.204	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-46.3	173.3	176.2	177.4	165.9	112.6	2.9	112	V37 A43 N44 Y248 D250 M253	V37-R41 PolarHBondContact O-N 3.44Å; R41-A43 PolarHBondContact O-N 2.89Å; R41-N44 PolarHBondContact O-N 3.43Å; R41-Y248 VanDerWaalsContact CD-CE1 3.41Å; R41-Y248 VanDerWaalsContact NH1-CG 3.34Å; R41-D250 PolarHBondContact NH1-O 3.5Å; R41-M253 HydrophobicContact CB-CE 3.96Å; R41-M253 HydrophobicContact CB-SD 4.33Å
42	D	95.4	Very high	97.7	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.032	12%	0.12	C	C	.	.	H	α-helix	trans	-66.6	-24.3	177.4	-79.2	-8.1	0	0	0	113.3	D38 N39 N44 K89 Q96 I97 G98	D38-D42 WeakPolarHBondContact O-CB 3.49Å; D38-D42 VanDerWaalsContact O-CG 3.28Å; D38-D42 PolarHBondContact O-N 3.34Å; N39-D42 PolarHBondContact O-N 2.74Å; D42-N44 PolarHBondContact O-N 3.43Å; D42-K89 HydrophobicContact CB-CD 4.23Å; D42-K89 WeakPolarHBondContact OD2-CD 3.45Å; D42-K89 WeakPolarHBondContact OD2-CE 2.98Å; D42-K89 IonicContact OD2-NZ 2.88Å; D42-K89 PolarHBondContact OD2-NZ 3.47Å; D42-Q96 HydrophobicContact CB-CB 4.46Å; D42-Q96 HydrophobicContact CB-CG 4.3Å; D42-Q96 PolarHBondContact O-NE2 2.77Å; D42-Q96 VanDerWaalsContact OD1-CA 3.32Å; D42-Q96 WeakPolarHBondContact OD1-CA 3.44Å; D42-Q96 WeakPolarHBondContact OD1-CB 3.34Å; D42-I97 PolarHBondContact OD1-N 2.97Å; D42-I97 PolarHBondContact OD2-N 2.81Å; D42-G98 WeakPolarHBondContact OD2-CA 3.2Å; D42-G98 PolarHBondContact OD2-N 3.23Å
43	A	95.4	Very high	97.7	Very high	17 Å²	17	26.3 Å²	26.3	14%	0.14	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	15.1	174.6	0	0	0	0	0	112.8	N39 S40 R41 A45 G70 I71	N39-A43 WeakPolarHBondContact O-CB 3.4Å; N39-A43 PolarHBondContact O-N 3.08Å; S40-A43 CarbonylContact O-C 3.59Å; S40-A43 PolarHBondContact O-N 3.29Å; R41-A43 PolarHBondContact O-N 2.89Å; A43-A45 PolarHBondContact O-N 3.21Å; A43-G70 WeakPolarHBondContact O-CA 3.44Å; A43-I71 HydrophobicContact CB-CG1 4.13Å; A43-I71 PolarHBondContact O-N 3.47Å
44	N	95.6	Very high	97.6	Very high	126 Å²	126	32.7 Å²	32.7	67%	0.674	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	21.1	177.9	-61.3	-32.3	0	0	0	115.8	S40 R41 D42 T46	S40-N44 PolarHBondContact O-N 2.64Å; R41-N44 PolarHBondContact O-N 3.43Å; D42-N44 PolarHBondContact O-N 3.43Å; N44-T46 PolarHBondContact O-N 3.45Å
45	A	97.8	Very high	97.5	Very high	6 Å²	6	35.4 Å²	35.4	5%	0.05	17%	0.17	C	C	.	.			trans	-56.7	137.3	178.3	0	0	0	0	0	112.7	S40 A43 D68 D69 M253	S40-A45 VanDerWaalsContact O-CB 3.27Å; S40-A45 WeakPolarHBondContact O-CB 3.3Å; S40-A45 PolarHBondContact O-N 2.9Å; A43-A45 PolarHBondContact O-N 3.21Å; A45-D68 HydrophobicContact CB-CB 3.94Å; A45-D69 WeakPolarHBondContact CA-OD1 3.47Å; A45-D69 WeakPolarHBondContact CB-OD1 3.48Å; A45-M253 HydrophobicContact CB-CG 4.35Å; A45-M253 HydrophobicContact CB-SD 3.87Å; A45-M253 VanDerWaalsContact O-CB 3.29Å; A45-M253 WeakPolarHBondContact O-CB 3.28Å; A45-M253 WeakPolarHBondContact O-CG 3.32Å
46	T	97.6	Very high	97.3	Very high	51 Å²	51	40.8 Å²	40.8	31%	0.313	21%	0.205	S	C	.	.	S	Bend	trans	-81.4	-22.6	171.1	97.5	0	0	0	0	111.7	N44 D69 R254	N44-T46 PolarHBondContact O-N 3.45Å; T46-D69 WeakPolarHBondContact CB-OD2 3.37Å; T46-D69 PolarHBondContact N-OD1 2.98Å; T46-D69 PolarHBondContact OG1-OD2 3.31Å; T46-R254 PolarHBondContact O-N 3.18Å; T46-R254 PolarHBondContact O-NE 2.74Å; T46-R254 VanDerWaalsContact O-NE 3.13Å; T46-R254 PolarHBondContact OG1-NH2 3.42Å
47	R	97.9	Very high	97.2	Very high	80 Å²	80	47.2 Å²	47.2	30%	0.302	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	140.6	-172	-178.4	169.2	175.5	160	0	111	D49 D68 D69 R254 F256	R47-D49 IonicContact CZ-OD1 3.72Å; R47-D49 IonicContact CZ-OD2 2.77Å; R47-D49 VanDerWaalsContact CZ-OD2 3.28Å; R47-D49 IonicContact NE-OD1 3.99Å; R47-D49 IonicContact NE-OD2 3.35Å; R47-D49 PolarHBondContact NE-OD2 3.4Å; R47-D49 VanDerWaalsContact NH2-CG 3.33Å; R47-D49 IonicContact NH2-OD1 3.75Å; R47-D49 PolarHBondContact NH2-OD1 2.98Å; R47-D49 IonicContact NH2-OD2 3.65Å; R47-D49 PolarHBondContact NH2-OD2 3.01Å; R47-D49 VanDerWaalsContact NH2-OD2 3.11Å; R47-D68 WeakPolarHBondContact O-CA 3.45Å; R47-D69 PolarHBondContact N-OD1 2.94Å; R47-D69 PolarHBondContact N-OD2 3.1Å; R47-D69 PolarHBondContact O-N 3.14Å; R47-D69 VanDerWaalsContact O-OD1 3.07Å; R47-R254 CarbonylContact C-O 3.47Å; R47-R254 VanDerWaalsContact CA-O 3.31Å; R47-R254 WeakPolarHBondContact CA-O 3.2Å; R47-F256 HydrophobicContact CG-CD2 3.9Å; R47-F256 HydrophobicContact CG-CE2 3.91Å
48	I	98.7	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.4	163.1	-171.8	-178.7	0	0	0	109.8	V37 S40 I50 F66 L67 D68 M253 R254 I255 F256	V37-I48 HydrophobicContact CG1-CG2 4.47Å; V37-I48 HydrophobicContact CG2-CD1 4.32Å; S40-I48 WeakPolarHBondContact OG-CD1 3.46Å; I48-I50 HydrophobicContact CD1-CD1 4.15Å; I48-I50 HydrophobicContact CD1-CG1 4.09Å; I48-I50 HydrophobicContact CG1-CG1 4.07Å; I48-F66 HydrophobicContact CD1-CB 4.47Å; I48-F66 HydrophobicContact CD1-CD1 4.36Å; I48-L67 CarbonylContact C-O 3.49Å; I48-L67 VanDerWaalsContact CA-O 3.24Å; I48-L67 WeakPolarHBondContact CA-O 3.14Å; I48-L67 WeakPolarHBondContact CG1-O 3.48Å; I48-D68 HydrophobicContact CB-CB 4.41Å; I48-D68 HydrophobicContact CG1-CB 4.34Å; I48-M253 HydrophobicContact CB-CE 4.42Å; I48-M253 HydrophobicContact CB-SD 4.05Å; I48-M253 HydrophobicContact CG2-CE 3.68Å; I48-M253 HydrophobicContact CG2-CG 4.31Å; I48-M253 HydrophobicContact CG2-SD 3.88Å; I48-R254 PolarHBondContact N-O 3.38Å; I48-I255 HydrophobicContact CG2-CB 4.19Å; I48-I255 HydrophobicContact CG2-CG1 3.82Å; I48-I255 HydrophobicContact CG2-CG2 4.19Å; I48-F256 PolarHBondContact O-N 3.3Å
49	D	98.7	Very high	97	Very high	22 Å²	22	54.4 Å²	54.4	12%	0.118	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.7	171.1	-74.1	-94.4	0	0	0	110.3	R47 Y51 F66 L67 F256	R47-D49 IonicContact CZ-OD1 3.72Å; R47-D49 IonicContact CZ-OD2 2.77Å; R47-D49 VanDerWaalsContact CZ-OD2 3.28Å; R47-D49 IonicContact NE-OD1 3.99Å; R47-D49 IonicContact NE-OD2 3.35Å; R47-D49 PolarHBondContact NE-OD2 3.4Å; R47-D49 VanDerWaalsContact NH2-CG 3.33Å; R47-D49 IonicContact NH2-OD1 3.75Å; R47-D49 PolarHBondContact NH2-OD1 2.98Å; R47-D49 IonicContact NH2-OD2 3.65Å; R47-D49 PolarHBondContact NH2-OD2 3.01Å; R47-D49 VanDerWaalsContact NH2-OD2 3.11Å; D49-Y51 HydrophobicContact CB-CD1 4.14Å; D49-Y51 HydrophobicContact CB-CE1 4.45Å; D49-F66 WeakPolarHBondContact O-CA 3.48Å; D49-L67 HydrophobicContact CB-CB 4.44Å; D49-L67 PolarHBondContact N-O 2.81Å; D49-L67 PolarHBondContact O-N 3.49Å; D49-F256 WeakPolarHBondContact OD1-CB 3.19Å
50	I	98.9	Very high	97	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	108.2	-178.1	-49.6	176.3	0	0	0	107.5	V37 I48 L64 F65 F66 I223 F240 I255 F256 I257 Q258	V37-I50 HydrophobicContact CG2-CD1 3.74Å; I48-I50 HydrophobicContact CD1-CD1 4.15Å; I48-I50 HydrophobicContact CD1-CG1 4.09Å; I48-I50 HydrophobicContact CG1-CG1 4.07Å; I50-L64 HydrophobicContact CG2-CD1 4.2Å; I50-F65 WeakPolarHBondContact CA-O 3.19Å; I50-F66 HydrophobicContact CD1-CD1 4.05Å; I50-F66 HydrophobicContact CD1-CE1 4.17Å; I50-F66 HydrophobicContact CG1-CD1 3.92Å; I50-F66 HydrophobicContact CG1-CE1 4.36Å; I50-F66 HydrophobicContact CG2-CD1 3.94Å; I50-F66 HydrophobicContact CG2-CE1 3.77Å; I50-F66 HydrophobicContact CG2-CZ 4.22Å; I50-I223 HydrophobicContact CG2-CD1 3.97Å; I50-F240 HydrophobicContact CD1-CE1 3.72Å; I50-F240 HydrophobicContact CD1-CZ 4.31Å; I50-F240 HydrophobicContact CG2-CE1 4.27Å; I50-I255 HydrophobicContact CD1-CG2 4.1Å; I50-F256 PolarHBondContact N-O 2.92Å; I50-I257 HydrophobicContact CB-CG1 4.37Å; I50-I257 CarbonylContact O-C 3.53Å; I50-I257 VanDerWaalsContact O-CA 3.28Å; I50-I257 WeakPolarHBondContact O-CA 3.45Å; I50-Q258 PolarHBondContact O-N 3.49Å
51	Y	98.6	Very high	96.9	Very high	45 Å²	45	54.1 Å²	54.1	18%	0.176	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	163.2	-169	65.4	-88.8	0	0	0	112.3	D49 F65 L67	D49-Y51 HydrophobicContact CB-CD1 4.14Å; D49-Y51 HydrophobicContact CB-CE1 4.45Å; Y51-F65 HydrophobicContact CD1-CB 3.92Å; Y51-F65 HydrophobicContact CD2-CB 3.99Å; Y51-F65 HydrophobicContact CD2-CD2 4.12Å; Y51-F65 HydrophobicContact CD2-CG 4.13Å; Y51-F65 HydrophobicContact CE1-CB 3.59Å; Y51-F65 HydrophobicContact CE1-CG 4.24Å; Y51-F65 HydrophobicContact CE2-CB 3.65Å; Y51-F65 AromaticContact CE2-CD1 3.91Å; Y51-F65 HydrophobicContact CE2-CD1 3.91Å; Y51-F65 AromaticContact CE2-CD2 3.73Å; Y51-F65 HydrophobicContact CE2-CD2 3.73Å; Y51-F65 HydrophobicContact CE2-CE2 4.35Å; Y51-F65 AromaticContact CE2-CG 3.49Å; Y51-F65 HydrophobicContact CE2-CG 3.49Å; Y51-F65 VanDerWaalsContact CE2-CG 3.49Å; Y51-F65 HydrophobicContact CG-CB 4.11Å; Y51-F65 VanDerWaalsContact CZ-CB 3.45Å; Y51-F65 AromaticContact CZ-CD1 3.7Å; Y51-F65 AromaticContact CZ-CG 3.57Å; Y51-F65 PolarHBondContact N-O 3.44Å; Y51-F65 PolarHBondContact O-N 3.33Å; Y51-F65 WeakPolarHBondContact OH-CD1 3.29Å; Y51-L67 HydrophobicContact CE1-CB 4.3Å
52	T	98.3	Very high	96.9	Very high	29 Å²	29	52.2 Å²	52.2	18%	0.178	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.5	-179.7	56.1	0	0	0	0	112.7	F62 M63 L64 V216 Q258	T52-F62 HydrophobicContact CG2-CD2 3.37Å; T52-F62 HydrophobicContact CG2-CE2 3.44Å; T52-F62 VanDerWaalsContact CG2-CE2 3.44Å; T52-F62 HydrophobicContact CG2-CG 4.33Å; T52-F62 HydrophobicContact CG2-CZ 4.44Å; T52-M63 VanDerWaalsContact CA-O 3.25Å; T52-M63 WeakPolarHBondContact CA-O 3.02Å; T52-L64 HydrophobicContact CG2-CD1 3.73Å; T52-V216 HydrophobicContact CG2-CG1 4.09Å; T52-Q258 PolarHBondContact OG1-NE2 3.41Å; T52-Q258 PolarHBondContact OG1-OE1 3.49Å
53	E	97.3	Very high	97.1	Very high	56 Å²	56	52 Å²	52	26%	0.262	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.7	172.9	-150.5	-173.4	119.2	0	0	108.6	R55 F62 M63 F65 K190	E53-R55 IonicContact OE1-CZ 3.16Å; E53-R55 IonicContact OE1-NH1 2.77Å; E53-R55 PolarHBondContact OE1-NH1 3.1Å; E53-R55 IonicContact OE1-NH2 3.19Å; E53-R55 PolarHBondContact OE1-NH2 2.76Å; E53-F62 WeakPolarHBondContact O-CA 3.26Å; E53-F62 WeakPolarHBondContact O-CB 3.31Å; E53-M63 HydrophobicContact CB-CE 4.42Å; E53-M63 PolarHBondContact N-O 3.46Å; E53-M63 PolarHBondContact O-N 3.18Å; E53-F65 HydrophobicContact CB-CD2 4.16Å; E53-F65 HydrophobicContact CB-CE2 3.4Å; E53-F65 HydrophobicContact CB-CZ 4.07Å; E53-F65 HydrophobicContact CG-CE2 4.46Å; E53-F65 WeakPolarHBondContact OE2-CZ 3.44Å; E53-K190 IonicContact OE2-NZ 3.94Å; E53-K190 PolarHBondContact OE2-NZ 3.17Å
54	K	96.6	Very high	97.2	Very high	134 Å²	134	51.1 Å²	51.1	58%	0.583	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.9	-176.7	-66.8	-158.3	173.5	-162.5	0	111.5	E217	K54-E217 IonicContact NZ-OE1 2.72Å; K54-E217 PolarHBondContact NZ-OE1 2.85Å
55	R	96.3	Very high	97.4	Very high	57 Å²	57	45.1 Å²	45.1	22%	0.215	23%	0.227	C	C	.	.			trans	-148.7	82	176.5	-74.5	-62.4	-175.6	-69.8	-5.4	109.1	E53 E57 L58 G61 M63	E53-R55 IonicContact OE1-CZ 3.16Å; E53-R55 IonicContact OE1-NH1 2.77Å; E53-R55 PolarHBondContact OE1-NH1 3.1Å; E53-R55 IonicContact OE1-NH2 3.19Å; E53-R55 PolarHBondContact OE1-NH2 2.76Å; R55-E57 WeakPolarHBondContact CA-OE2 3.26Å; R55-E57 WeakPolarHBondContact CB-OE2 3.42Å; R55-E57 VanDerWaalsContact CD-OE1 3.27Å; R55-E57 WeakPolarHBondContact CD-OE1 3.48Å; R55-E57 PolarHBondContact O-N 2.94Å; R55-E57 VanDerWaalsContact O-N 3.12Å; R55-L58 HydrophobicContact CB-CB 4.09Å; R55-L58 HydrophobicContact CB-CD1 3.74Å; R55-L58 HydrophobicContact CB-CG 3.89Å; R55-L58 HydrophobicContact CG-CD1 3.94Å; R55-L58 PolarHBondContact O-N 2.88Å; R55-G61 CarbonylContact C-O 3.49Å; R55-G61 VanDerWaalsContact C-O 3.24Å; R55-G61 PolarHBondContact N-O 2.97Å; R55-G61 CarbonylContact O-C 3.49Å; R55-G61 WeakPolarHBondContact O-CA 3.42Å; R55-M63 HydrophobicContact CB-CG 4.34Å; R55-M63 HydrophobicContact CG-CE 3.72Å; R55-M63 HydrophobicContact CG-CG 3.93Å; R55-M63 HydrophobicContact CG-SD 4.02Å
56	P	94.2	Very high	97.4	Very high	117 Å²	117	45 Å²	45	76%	0.76	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.4	179.7	-24.3	35.4	0	0	0	114.5
57	E	95	Very high	97.5	Very high	140 Å²	140	44 Å²	44	65%	0.654	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-13.5	176.7	72.4	-85.5	-137.7	0	0	114.1	R55	R55-E57 WeakPolarHBondContact CA-OE2 3.26Å; R55-E57 WeakPolarHBondContact CB-OE2 3.42Å; R55-E57 VanDerWaalsContact CD-OE1 3.27Å; R55-E57 WeakPolarHBondContact CD-OE1 3.48Å; R55-E57 PolarHBondContact O-N 2.94Å; R55-E57 VanDerWaalsContact O-N 3.12Å
58	L	96.5	Very high	97.5	Very high	29 Å²	29	40.8 Å²	40.8	15%	0.152	21%	0.206	C	C	.	.	S	Bend	trans	-100.4	150	176.9	-62.7	179.2	0	0	0	111	R55 G60 G61 M63 P177 Y202	R55-L58 HydrophobicContact CB-CB 4.09Å; R55-L58 HydrophobicContact CB-CD1 3.74Å; R55-L58 HydrophobicContact CB-CG 3.89Å; R55-L58 HydrophobicContact CG-CD1 3.94Å; R55-L58 PolarHBondContact O-N 2.88Å; L58-G60 PolarHBondContact O-N 2.89Å; L58-G60 VanDerWaalsContact O-N 3.16Å; L58-G61 PolarHBondContact O-N 3.02Å; L58-M63 HydrophobicContact CD1-CG 3.59Å; L58-M63 HydrophobicContact CD1-SD 3.7Å; L58-P177 HydrophobicContact CD1-CB 4.2Å; L58-P177 HydrophobicContact CD1-CG 3.99Å; L58-Y202 HydrophobicContact CD1-CD2 4.04Å; L58-Y202 HydrophobicContact CD1-CG 4.44Å; L58-Y202 HydrophobicContact CD2-CD2 4.29Å
59	R	97.4	Very high	97.5	Very high	122 Å²	122	43 Å²	43	46%	0.46	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	122.2	178.9	176.4	-170.4	166.1	132	12.8	109.8	N203 L204 L206	R59-N203 HydrophobicContact CB-CB 4.14Å; R59-N203 PolarHBondContact N-OD1 3.17Å; R59-N203 CarbonylContact O-C 3.53Å; R59-N203 WeakPolarHBondContact O-CA 3.41Å; R59-L204 WeakPolarHBondContact CD-O 3.31Å; R59-L204 WeakPolarHBondContact CG-O 3.36Å; R59-L204 PolarHBondContact NE-O 3.07Å; R59-L204 PolarHBondContact O-N 3.28Å; R59-L206 HydrophobicContact CG-CD1 3.84Å; R59-L206 HydrophobicContact CG-CD2 4.37Å; R59-L206 HydrophobicContact CG-CG 4.04Å
60	G	95.3	Very high	97.5	Very high	17 Å²	17	42.1 Å²	42.1	18%	0.175	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-1.3	-175.6	0	0	0	0	0	115.2	L58 F62	L58-G60 PolarHBondContact O-N 2.89Å; L58-G60 VanDerWaalsContact O-N 3.16Å; G60-F62 WeakPolarHBondContact O-CD1 3.4Å; G60-F62 PolarHBondContact O-N 3.47Å
61	G	96.6	Very high	97.4	Very high	29 Å²	29	46.4 Å²	46.4	30%	0.299	24%	0.236	S	C	.	.	S	Bend	trans	73.6	-5.8	170.5	0	0	0	0	0	116.3	R55 L58	R55-G61 CarbonylContact C-O 3.49Å; R55-G61 VanDerWaalsContact C-O 3.24Å; R55-G61 PolarHBondContact N-O 2.97Å; R55-G61 CarbonylContact O-C 3.49Å; R55-G61 WeakPolarHBondContact O-CA 3.42Å; L58-G61 PolarHBondContact O-N 3.02Å
62	F	98	Very high	97.3	Very high	14 Å²	14	44.4 Å²	44.4	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	162.2	175.2	64.4	-91.4	0	0	0	112.8	T52 E53 G60 L204 P212 L214 V216	T52-F62 HydrophobicContact CG2-CD2 3.37Å; T52-F62 HydrophobicContact CG2-CE2 3.44Å; T52-F62 VanDerWaalsContact CG2-CE2 3.44Å; T52-F62 HydrophobicContact CG2-CG 4.33Å; T52-F62 HydrophobicContact CG2-CZ 4.44Å; E53-F62 WeakPolarHBondContact O-CA 3.26Å; E53-F62 WeakPolarHBondContact O-CB 3.31Å; G60-F62 WeakPolarHBondContact O-CD1 3.4Å; G60-F62 PolarHBondContact O-N 3.47Å; F62-L204 HydrophobicContact CD1-CD1 4.35Å; F62-L204 HydrophobicContact CD2-CD1 3.6Å; F62-L204 HydrophobicContact CE1-CD1 4.08Å; F62-L204 HydrophobicContact CE2-CD1 3.27Å; F62-L204 HydrophobicContact CG-CD1 4.15Å; F62-L204 HydrophobicContact CZ-CD1 3.55Å; F62-P212 HydrophobicContact CE1-CB 4.29Å; F62-P212 HydrophobicContact CE1-CG 3.96Å; F62-L214 HydrophobicContact CZ-CB 4.27Å; F62-V216 HydrophobicContact CD1-CG2 4.16Å; F62-V216 HydrophobicContact CE1-CG2 3.8Å; F62-V216 HydrophobicContact CE2-CG1 4.47Å; F62-V216 HydrophobicContact CE2-CG2 4.49Å; F62-V216 HydrophobicContact CZ-CG1 4.18Å; F62-V216 HydrophobicContact CZ-CG2 3.98Å
63	M	98.4	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.7	168.8	-53.9	-175.1	-67.2	0	0	109.4	T52 E53 R55 L58 F65 P177 F178 V200	T52-M63 VanDerWaalsContact CA-O 3.25Å; T52-M63 WeakPolarHBondContact CA-O 3.02Å; E53-M63 HydrophobicContact CB-CE 4.42Å; E53-M63 PolarHBondContact N-O 3.46Å; E53-M63 PolarHBondContact O-N 3.18Å; R55-M63 HydrophobicContact CB-CG 4.34Å; R55-M63 HydrophobicContact CG-CE 3.72Å; R55-M63 HydrophobicContact CG-CG 3.93Å; R55-M63 HydrophobicContact CG-SD 4.02Å; L58-M63 HydrophobicContact CD1-CG 3.59Å; L58-M63 HydrophobicContact CD1-SD 3.7Å; M63-F65 HydrophobicContact CB-CD2 4.4Å; M63-F65 HydrophobicContact CB-CE2 3.79Å; M63-F65 HydrophobicContact CE-CE2 3.89Å; M63-F65 HydrophobicContact CE-CZ 3.72Å; M63-P177 HydrophobicContact CE-CB 4.5Å; M63-P177 HydrophobicContact SD-CB 3.6Å; M63-P177 VanDerWaalsContact SD-CB 3.6Å; M63-P177 HydrophobicContact SD-CG 3.51Å; M63-P177 VanDerWaalsContact SD-CG 3.51Å; M63-F178 HydrophobicContact CE-CZ 4.49Å; M63-V200 HydrophobicContact CB-CG1 4.03Å; M63-V200 HydrophobicContact SD-CG1 4.18Å
64	L	98.6	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.7	177.9	-178	65.3	0	0	0	110.3	L33 I50 T52 F66 I111 V201 L214 I223	L33-L64 HydrophobicContact CD2-CD2 4.21Å; L33-L64 HydrophobicContact CG-CD2 4.47Å; I50-L64 HydrophobicContact CG2-CD1 4.2Å; T52-L64 HydrophobicContact CG2-CD1 3.73Å; L64-F66 HydrophobicContact CD2-CE2 3.61Å; L64-F66 HydrophobicContact CD2-CZ 3.67Å; L64-F66 HydrophobicContact CG-CD2 4.42Å; L64-F66 HydrophobicContact CG-CE2 3.63Å; L64-F66 HydrophobicContact CG-CZ 4.06Å; L64-I111 HydrophobicContact CD2-CG2 4.08Å; L64-V201 PolarHBondContact N-O 2.91Å; L64-V201 PolarHBondContact O-N 3.15Å; L64-L214 HydrophobicContact CD2-CD1 4.12Å; L64-I223 HydrophobicContact CD1-CD1 3.73Å
65	F	98.8	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.6	-178.2	-68.8	-110.1	0	0	0	110.9	I50 Y51 E53 M63 K190 L198 V199 V200	I50-F65 WeakPolarHBondContact CA-O 3.19Å; Y51-F65 HydrophobicContact CD1-CB 3.92Å; Y51-F65 HydrophobicContact CD2-CB 3.99Å; Y51-F65 HydrophobicContact CD2-CD2 4.12Å; Y51-F65 HydrophobicContact CD2-CG 4.13Å; Y51-F65 HydrophobicContact CE1-CB 3.59Å; Y51-F65 HydrophobicContact CE1-CG 4.24Å; Y51-F65 HydrophobicContact CE2-CB 3.65Å; Y51-F65 AromaticContact CE2-CD1 3.91Å; Y51-F65 HydrophobicContact CE2-CD1 3.91Å; Y51-F65 AromaticContact CE2-CD2 3.73Å; Y51-F65 HydrophobicContact CE2-CD2 3.73Å; Y51-F65 HydrophobicContact CE2-CE2 4.35Å; Y51-F65 AromaticContact CE2-CG 3.49Å; Y51-F65 HydrophobicContact CE2-CG 3.49Å; Y51-F65 VanDerWaalsContact CE2-CG 3.49Å; Y51-F65 HydrophobicContact CG-CB 4.11Å; Y51-F65 VanDerWaalsContact CZ-CB 3.45Å; Y51-F65 AromaticContact CZ-CD1 3.7Å; Y51-F65 AromaticContact CZ-CG 3.57Å; Y51-F65 PolarHBondContact N-O 3.44Å; Y51-F65 PolarHBondContact O-N 3.33Å; Y51-F65 WeakPolarHBondContact OH-CD1 3.29Å; E53-F65 HydrophobicContact CB-CD2 4.16Å; E53-F65 HydrophobicContact CB-CE2 3.4Å; E53-F65 HydrophobicContact CB-CZ 4.07Å; E53-F65 HydrophobicContact CG-CE2 4.46Å; E53-F65 WeakPolarHBondContact OE2-CZ 3.44Å; M63-F65 HydrophobicContact CB-CD2 4.4Å; M63-F65 HydrophobicContact CB-CE2 3.79Å; M63-F65 HydrophobicContact CE-CE2 3.89Å; M63-F65 HydrophobicContact CE-CZ 3.72Å; F65-K190 VanDerWaalsContact CE1-NZ 3.29Å; F65-L198 HydrophobicContact CB-CD1 4.14Å; F65-L198 HydrophobicContact CD1-CD1 3.66Å; F65-L198 HydrophobicContact CD1-CD2 4.22Å; F65-L198 HydrophobicContact CD1-CG 4.38Å; F65-L198 HydrophobicContact CE1-CD2 4.45Å; F65-L198 HydrophobicContact CG-CD1 4.39Å; F65-V199 CarbonylContact C-O 3.58Å; F65-V199 WeakPolarHBondContact CA-O 3.48Å; F65-V200 HydrophobicContact CD1-CB 4.46Å; F65-V200 HydrophobicContact CD1-CG1 4.23Å; F65-V200 HydrophobicContact CD1-CG2 3.59Å; F65-V200 HydrophobicContact CD2-CG1 4.3Å; F65-V200 HydrophobicContact CE1-CB 4.37Å; F65-V200 HydrophobicContact CE1-CG1 3.91Å; F65-V200 HydrophobicContact CE1-CG2 3.52Å; F65-V200 HydrophobicContact CE2-CG1 3.99Å; F65-V200 HydrophobicContact CG-CG1 4.4Å; F65-V200 HydrophobicContact CG-CG2 4.35Å; F65-V200 HydrophobicContact CZ-CG1 3.8Å; F65-V200 HydrophobicContact CZ-CG2 4.26Å
66	F	98.9	Very high	96.9	Very high	3 Å²	3	42 Å²	42	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	105.6	168.1	-60.5	-103.8	0	0	0	107.3	L33 L36 I48 D49 I50 L64 L198 V199 V201	L33-F66 HydrophobicContact CB-CE1 4.44Å; L33-F66 HydrophobicContact CB-CZ 4.34Å; L33-F66 HydrophobicContact CD2-CZ 4.4Å; L33-F66 HydrophobicContact CG-CZ 4.09Å; L36-F66 HydrophobicContact CB-CD1 3.87Å; L36-F66 HydrophobicContact CB-CE1 4.04Å; L36-F66 HydrophobicContact CB-CG 4.21Å; L36-F66 HydrophobicContact CD2-CB 4.43Å; L36-F66 HydrophobicContact CD2-CD1 4.19Å; L36-F66 HydrophobicContact CD2-CD2 3.48Å; L36-F66 VanDerWaalsContact CD2-CD2 3.48Å; L36-F66 HydrophobicContact CD2-CE1 4.31Å; L36-F66 HydrophobicContact CD2-CE2 3.63Å; L36-F66 HydrophobicContact CD2-CG 3.79Å; L36-F66 HydrophobicContact CD2-CZ 4.05Å; I48-F66 HydrophobicContact CD1-CB 4.47Å; I48-F66 HydrophobicContact CD1-CD1 4.36Å; D49-F66 WeakPolarHBondContact O-CA 3.48Å; I50-F66 HydrophobicContact CD1-CD1 4.05Å; I50-F66 HydrophobicContact CD1-CE1 4.17Å; I50-F66 HydrophobicContact CG1-CD1 3.92Å; I50-F66 HydrophobicContact CG1-CE1 4.36Å; I50-F66 HydrophobicContact CG2-CD1 3.94Å; I50-F66 HydrophobicContact CG2-CE1 3.77Å; I50-F66 HydrophobicContact CG2-CZ 4.22Å; L64-F66 HydrophobicContact CD2-CE2 3.61Å; L64-F66 HydrophobicContact CD2-CZ 3.67Å; L64-F66 HydrophobicContact CG-CD2 4.42Å; L64-F66 HydrophobicContact CG-CE2 3.63Å; L64-F66 HydrophobicContact CG-CZ 4.06Å; F66-L198 CarbonylContact O-C 3.53Å; F66-L198 WeakPolarHBondContact O-CA 3.5Å; F66-V199 HydrophobicContact CB-CB 4.37Å; F66-V199 PolarHBondContact N-O 3Å; F66-V199 PolarHBondContact O-N 3.31Å; F66-V201 HydrophobicContact CE2-CG2 4.49Å
67	L	98.8	Very high	96.8	Very high	30 Å²	30	39.4 Å²	39.4	16%	0.157	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.2	-177.8	173	65	0	0	0	109.5	I48 D49 Y51 K190 I191 T197 L198	I48-L67 CarbonylContact C-O 3.49Å; I48-L67 VanDerWaalsContact CA-O 3.24Å; I48-L67 WeakPolarHBondContact CA-O 3.14Å; I48-L67 WeakPolarHBondContact CG1-O 3.48Å; D49-L67 HydrophobicContact CB-CB 4.44Å; D49-L67 PolarHBondContact N-O 2.81Å; D49-L67 PolarHBondContact O-N 3.49Å; Y51-L67 HydrophobicContact CE1-CB 4.3Å; L67-K190 WeakPolarHBondContact CD2-O 3.33Å; L67-I191 HydrophobicContact CD1-CG1 3.94Å; L67-T197 WeakPolarHBondContact CA-O 3.41Å; L67-L198 HydrophobicContact CB-CD1 3.83Å; L67-L198 HydrophobicContact CD1-CB 3.97Å; L67-L198 HydrophobicContact CD1-CD1 4.3Å
68	D	98.6	Very high	96.8	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.064	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.4	176.3	71	60.9	0	0	0	114.1	S40 A45 R47 I48 G70 G196 T197	S40-D68 WeakPolarHBondContact CB-OD2 3.5Å; S40-D68 PolarHBondContact OG-OD2 2.99Å; A45-D68 HydrophobicContact CB-CB 3.94Å; R47-D68 WeakPolarHBondContact O-CA 3.45Å; I48-D68 HydrophobicContact CB-CB 4.41Å; I48-D68 HydrophobicContact CG1-CB 4.34Å; D68-G70 VanDerWaalsContact C-N 3.3Å; D68-G70 PolarHBondContact OD1-N 3.03Å; D68-G196 WeakPolarHBondContact O-CA 3.49Å; D68-T197 PolarHBondContact N-O 3.36Å; D68-T197 PolarHBondContact O-N 3.05Å; D68-T197 PolarHBondContact OD1-N 3.22Å
69	D	98.1	Very high	96.6	Very high	47 Å²	47	33.9 Å²	33.9	25%	0.251	18%	0.183	S	C	.	.			trans	-93.8	29.5	174.9	67.7	-10.9	0	0	0	112.3	A45 T46 R47	A45-D69 WeakPolarHBondContact CA-OD1 3.47Å; A45-D69 WeakPolarHBondContact CB-OD1 3.48Å; T46-D69 WeakPolarHBondContact CB-OD2 3.37Å; T46-D69 PolarHBondContact N-OD1 2.98Å; T46-D69 PolarHBondContact OG1-OD2 3.31Å; R47-D69 PolarHBondContact N-OD1 2.94Å; R47-D69 PolarHBondContact N-OD2 3.1Å; R47-D69 PolarHBondContact O-N 3.14Å; R47-D69 VanDerWaalsContact O-OD1 3.07Å
70	G	97.5	Very high	96.3	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.031	17%	0.171	C	C	.	.	S	Bend	trans	-74.3	-173	-179.6	0	0	0	0	0	114	A43 D68 G72 S195 G196	A43-G70 WeakPolarHBondContact O-CA 3.44Å; D68-G70 VanDerWaalsContact C-N 3.3Å; D68-G70 PolarHBondContact OD1-N 3.03Å; G70-G72 PolarHBondContact O-N 3.16Å; G70-G72 VanDerWaalsContact O-N 3.09Å; G70-S195 CarbonylContact O-C 3.56Å; G70-S195 VanDerWaalsContact O-C 3.27Å; G70-S195 WeakPolarHBondContact O-CB 3.25Å; G70-S195 PolarHBondContact O-OG 2.76Å; G70-G196 WeakPolarHBondContact O-CA 3.49Å; G70-G196 PolarHBondContact O-N 2.92Å
71	I	96.9	Very high	96.1	Very high	90 Å²	90	30.6 Å²	30.6	46%	0.462	17%	0.17	S	C	.	.			trans	-66.1	-7.3	-179.8	61.8	172.5	0	0	0	115.2	A43 K121	A43-I71 HydrophobicContact CB-CG1 4.13Å; A43-I71 PolarHBondContact O-N 3.47Å; I71-K121 WeakPolarHBondContact O-CG 3.33Å
72	G	96.8	Very high	95.8	Very high	4 Å²	4	32.1 Å²	32.1	4%	0.041	17%	0.17	C	C	.	.			trans	64.4	-162.7	-174.4	0	0	0	0	0	113.5	G70 T119 K120	G70-G72 PolarHBondContact O-N 3.16Å; G70-G72 VanDerWaalsContact O-N 3.09Å; G72-T119 WeakPolarHBondContact CA-OG1 3.32Å; G72-K120 WeakPolarHBondContact CA-O 3.44Å
73	M	96.9	Very high	95.4	Very high	37 Å²	37	35.1 Å²	35.1	18%	0.182	18%	0.184	C	C	.	.			trans	-144	144.2	173.1	-66.4	171.4	-71	0	0	110.1	E77 V81 L117 T119 T197	M73-E77 WeakPolarHBondContact CA-OE2 3.48Å; M73-E77 HydrophobicContact CB-CB 3.87Å; M73-E77 HydrophobicContact CG-CB 4.22Å; M73-V81 HydrophobicContact CE-CG2 4.1Å; M73-V81 HydrophobicContact SD-CG2 3.46Å; M73-V81 WeakPolarHBondContact SD-CG2 3.38Å; M73-L117 HydrophobicContact CE-CD1 4.11Å; M73-L117 HydrophobicContact CE-CD2 3.89Å; M73-T119 HydrophobicContact CB-CG2 4.05Å; M73-T119 HydrophobicContact CE-CG2 4.18Å; M73-T119 PolarHBondContact N-OG1 2.98Å; M73-T119 WeakPolarHBondContact O-CG2 3.41Å; M73-T197 HydrophobicContact CE-CG2 4.3Å
74	D	95	Very high	94.9	Very high	34 Å²	34	37.6 Å²	37.6	18%	0.182	20%	0.195	C	C	.	.			trans	-82.4	171.1	169.7	63.6	62.8	0	0	0	110.9	I76 E77 A78 K121	D74-I76 PolarHBondContact O-N 3.49Å; D74-I76 WeakPolarHBondContact OD1-CA 3.08Å; D74-I76 WeakPolarHBondContact OD1-CB 3.38Å; D74-I76 PolarHBondContact OD1-N 2.76Å; D74-E77 PolarHBondContact N-OE2 3.3Å; D74-E77 PolarHBondContact O-N 3.2Å; D74-E77 PolarHBondContact OD1-N 3.03Å; D74-E77 WeakPolarHBondContact OD2-CG 3.36Å; D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.21Å; D74-K121 HydrophobicContact CB-CD 4.06Å; D74-K121 IonicContact OD2-NZ 2.65Å; D74-K121 PolarHBondContact OD2-NZ 3.41Å
75	P	95.1	Very high	94.3	Very high	38 Å²	38	40.5 Å²	40.5	25%	0.247	23%	0.225	C	C	.	.	H	α-helix	trans	-57.6	-31.8	-179.1	-27.8	36	0	0	0	114.4	T79	P75-T79 VanDerWaalsContact O-CG2 3.24Å; P75-T79 WeakPolarHBondContact O-CG2 3.44Å; P75-T79 PolarHBondContact O-N 3.36Å
76	I	92.6	Very high	93.6	Very high	117 Å²	117	44.4 Å²	44.4	60%	0.6	24%	0.242	S	C	*	.	H	α-helix	trans	-75.4	-45.1	179.9	-56.7	175	0	0	0	109.4	D74 A78 T79 H80	D74-I76 PolarHBondContact O-N 3.49Å; D74-I76 WeakPolarHBondContact OD1-CA 3.08Å; D74-I76 WeakPolarHBondContact OD1-CB 3.38Å; D74-I76 PolarHBondContact OD1-N 2.76Å; I76-A78 VanDerWaalsContact C-N 3.31Å; I76-A78 PolarHBondContact O-N 3.15Å; I76-T79 PolarHBondContact O-N 2.94Å; I76-T79 VanDerWaalsContact O-N 3.15Å; I76-T79 PolarHBondContact O-OG1 3.34Å; I76-H80 PolarHBondContact O-N 3.02Å
77	E	93.7	Very high	92.8	Very high	62 Å²	62	45.6 Å²	45.6	29%	0.29	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-39.7	172.2	-72.9	178.2	152.5	0	0	112.4	M73 D74 T79 H80 V81 K121	M73-E77 WeakPolarHBondContact CA-OE2 3.48Å; M73-E77 HydrophobicContact CB-CB 3.87Å; M73-E77 HydrophobicContact CG-CB 4.22Å; D74-E77 PolarHBondContact N-OE2 3.3Å; D74-E77 PolarHBondContact O-N 3.2Å; D74-E77 PolarHBondContact OD1-N 3.03Å; D74-E77 WeakPolarHBondContact OD2-CG 3.36Å; E77-T79 VanDerWaalsContact C-N 3.31Å; E77-T79 PolarHBondContact O-N 3.38Å; E77-H80 WeakPolarHBondContact O-CA 3.46Å; E77-H80 VanDerWaalsContact O-CB 3.26Å; E77-H80 WeakPolarHBondContact O-CB 3.42Å; E77-H80 PolarHBondContact O-N 3.11Å; E77-V81 PolarHBondContact O-N 2.89Å; E77-K121 IonicContact OE1-NZ 3.16Å; E77-K121 PolarHBondContact OE1-NZ 3.41Å; E77-K121 IonicContact OE2-NZ 2.67Å; E77-K121 PolarHBondContact OE2-NZ 2.78Å
78	A	94.3	Very high	91.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-37.6	173.9	0	0	0	0	0	112.2	D74 I76 H80 V81 T126 L147	D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.21Å; I76-A78 VanDerWaalsContact C-N 3.31Å; I76-A78 PolarHBondContact O-N 3.15Å; A78-H80 PolarHBondContact O-N 3.36Å; A78-V81 VanDerWaalsContact O-CB 3.28Å; A78-V81 WeakPolarHBondContact O-CB 3.28Å; A78-V81 PolarHBondContact O-N 3.25Å; A78-V81 VanDerWaalsContact O-N 3.08Å; A78-T126 HydrophobicContact CB-CG2 3.67Å; A78-L147 HydrophobicContact CB-CD2 3.83Å
79	T	92.1	Very high	90.8	Very high	52 Å²	52	51.7 Å²	51.7	32%	0.319	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-23.9	172.9	77.4	0	0	0	0	113	P75 I76 E77 V81 I82 Q83 L147	P75-T79 VanDerWaalsContact O-CG2 3.24Å; P75-T79 WeakPolarHBondContact O-CG2 3.44Å; P75-T79 PolarHBondContact O-N 3.36Å; I76-T79 PolarHBondContact O-N 2.94Å; I76-T79 VanDerWaalsContact O-N 3.15Å; I76-T79 PolarHBondContact O-OG1 3.34Å; E77-T79 VanDerWaalsContact C-N 3.31Å; E77-T79 PolarHBondContact O-N 3.38Å; T79-V81 VanDerWaalsContact C-N 3.32Å; T79-I82 WeakPolarHBondContact O-CG1 3.1Å; T79-Q83 PolarHBondContact O-NE2 3.14Å; T79-L147 HydrophobicContact CG2-CD1 4.47Å
80	H	90.9	Very high	89.4	Confident	47 Å²	47	57.5 Å²	57.5	22%	0.218	30%	0.3	C	S	.	.	H	α-helix	trans	-74.8	-23.7	175.3	-58.7	151.1	0	0	0	112.3	I76 E77 A78 I82 Q83 K86	I76-H80 PolarHBondContact O-N 3.02Å; E77-H80 WeakPolarHBondContact O-CA 3.46Å; E77-H80 VanDerWaalsContact O-CB 3.26Å; E77-H80 WeakPolarHBondContact O-CB 3.42Å; E77-H80 PolarHBondContact O-N 3.11Å; A78-H80 PolarHBondContact O-N 3.36Å; H80-I82 VanDerWaalsContact C-N 3.27Å; H80-I82 PolarHBondContact O-N 3.18Å; H80-Q83 PolarHBondContact O-N 2.88Å; H80-Q83 VanDerWaalsContact O-N 3.08Å; H80-K86 HydrophobicContact CB-CD 4.39Å; H80-K86 PolarHBondContact CD2-NZ 2.83Å; H80-K86 PolarHBondContact NE2-NZ 3.06Å
81	V	91.9	Very high	87.9	Confident	24 Å²	24	60 Å²	60	15%	0.145	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-38	176.5	-179.9	0	0	0	0	111.2	M73 E77 A78 T79 L104 K105 L128	M73-V81 HydrophobicContact CE-CG2 4.1Å; M73-V81 HydrophobicContact SD-CG2 3.46Å; M73-V81 WeakPolarHBondContact SD-CG2 3.38Å; E77-V81 PolarHBondContact O-N 2.89Å; A78-V81 VanDerWaalsContact O-CB 3.28Å; A78-V81 WeakPolarHBondContact O-CB 3.28Å; A78-V81 PolarHBondContact O-N 3.25Å; A78-V81 VanDerWaalsContact O-N 3.08Å; T79-V81 VanDerWaalsContact C-N 3.32Å; V81-L104 HydrophobicContact CG1-CD2 3.6Å; V81-K105 VanDerWaalsContact O-CD 3.3Å; V81-K105 WeakPolarHBondContact O-CD 3.46Å; V81-K105 VanDerWaalsContact O-CE 3.23Å; V81-K105 WeakPolarHBondContact O-CE 3.37Å; V81-K105 PolarHBondContact O-NZ 3.16Å; V81-L128 HydrophobicContact CB-CD1 3.61Å; V81-L128 HydrophobicContact CG1-CD1 3.68Å; V81-L128 HydrophobicContact CG2-CD1 4.26Å
82	I	90.1	Very high	85.9	Confident	61 Å²	61	59.4 Å²	59.4	31%	0.313	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-12	176.9	60.2	169.5	0	0	0	114	T79 H80 F84 L128 V145 L147	T79-I82 WeakPolarHBondContact O-CG1 3.1Å; H80-I82 VanDerWaalsContact C-N 3.27Å; H80-I82 PolarHBondContact O-N 3.18Å; I82-F84 WeakPolarHBondContact O-CD2 3.36Å; I82-F84 PolarHBondContact O-N 3.19Å; I82-L128 HydrophobicContact CG2-CD1 4.2Å; I82-L128 HydrophobicContact CG2-CD2 4.38Å; I82-L128 HydrophobicContact CG2-CG 4.46Å; I82-V145 HydrophobicContact CD1-CB 4.45Å; I82-V145 HydrophobicContact CG2-CB 4.07Å; I82-V145 HydrophobicContact CG2-CG1 3.83Å; I82-V145 HydrophobicContact CG2-CG2 3.87Å; I82-L147 HydrophobicContact CD1-CD1 3.95Å; I82-L147 HydrophobicContact CG1-CD1 4.42Å
83	Q	89.6	Confident	84.2	Confident	76 Å²	76	64.1 Å²	64.1	36%	0.355	34%	0.34	S	S	.	.	S	Bend	trans	-77.5	108.1	176.8	-67.5	171	26.5	0	0	109.2	T79 H80 K86 K105	T79-Q83 PolarHBondContact O-NE2 3.14Å; H80-Q83 PolarHBondContact O-N 2.88Å; H80-Q83 VanDerWaalsContact O-N 3.08Å; Q83-K86 HydrophobicContact CB-CB 3.98Å; Q83-K86 HydrophobicContact CB-CD 4.14Å; Q83-K105 PolarHBondContact O-NZ 3.05Å
84	F	88.2	Confident	82.9	Confident	53 Å²	53	63.1 Å²	63.1	23%	0.232	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	135.6	-179.1	-76.7	-109	0	0	0	111.1	L14 Y18 L19 I82 K86 N102 K105	L14-F84 HydrophobicContact CD1-CB 4.08Å; L14-F84 HydrophobicContact CD1-CD2 3.24Å; L14-F84 HydrophobicContact CD1-CE2 3.76Å; L14-F84 HydrophobicContact CD1-CG 3.73Å; Y18-F84 HydrophobicContact CD1-CE1 4.49Å; Y18-F84 HydrophobicContact CE1-CD1 4.23Å; Y18-F84 HydrophobicContact CE1-CE1 4.29Å; L19-F84 HydrophobicContact CD2-CZ 3.9Å; I82-F84 WeakPolarHBondContact O-CD2 3.36Å; I82-F84 PolarHBondContact O-N 3.19Å; F84-K86 PolarHBondContact O-N 3.09Å; F84-N102 WeakPolarHBondContact CD1-OD1 3.38Å; F84-N102 WeakPolarHBondContact CE1-OD1 3.47Å; F84-K105 HydrophobicContact CE1-CB 3.74Å; F84-K105 HydrophobicContact CE1-CD 4.43Å; F84-K105 HydrophobicContact CE1-CG 4.1Å; F84-K105 HydrophobicContact CE2-CG 4.28Å; F84-K105 HydrophobicContact CZ-CB 3.76Å; F84-K105 HydrophobicContact CZ-CD 4.33Å; F84-K105 HydrophobicContact CZ-CG 3.76Å
85	G	86.1	Confident	82.2	Confident	60 Å²	60	67.2 Å²	67.2	62%	0.619	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-7.8	-178.7	0	0	0	0	0	115.5	Y100 G101	G85-Y100 WeakPolarHBondContact CA-O 3.49Å; G85-G101 PolarHBondContact N-O 2.99Å
86	K	83.8	Confident	81.9	Confident	82 Å²	82	68.3 Å²	68.3	36%	0.357	36%	0.364	S	S	.	.			trans	-85	128.3	175.5	-170.4	177.2	-172.1	178.3	0	110.7	H80 Q83 F84 G101	H80-K86 HydrophobicContact CB-CD 4.39Å; H80-K86 PolarHBondContact CD2-NZ 2.83Å; H80-K86 PolarHBondContact NE2-NZ 3.06Å; Q83-K86 HydrophobicContact CB-CB 3.98Å; Q83-K86 HydrophobicContact CB-CD 4.14Å; F84-K86 PolarHBondContact O-N 3.09Å; K86-G101 WeakPolarHBondContact O-CA 3.45Å
87	S	81.8	Confident	81.8	Confident	29 Å²	29	62.8 Å²	62.8	20%	0.203	34%	0.336	C	S	.	.			trans	-150.2	120.6	167.6	-173.8	0	0	0	0	110.3	K89 R90 G98	S87-K89 PolarHBondContact O-N 3.25Å; S87-K89 WeakPolarHBondContact OG-CB 3.27Å; S87-K89 PolarHBondContact OG-N 3.26Å; S87-R90 PolarHBondContact O-N 2.93Å; S87-G98 WeakPolarHBondContact CB-O 3.34Å; S87-G98 PolarHBondContact OG-O 3.09Å
88	N	76.6	Confident	81.4	Confident	124 Å²	124	60.3 Å²	60.3	66%	0.663	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-18.4	173.5	-62.8	-1.2	0	0	0	111.4	R90	N88-R90 PolarHBondContact O-N 3.19Å
89	K	78.8	Confident	80.8	Confident	45 Å²	45	61.1 Å²	61.1	20%	0.196	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-9.5	178.5	-51.4	-179.7	171.5	175.6	0	114	D42 S87 S91 S94 Q96	D42-K89 HydrophobicContact CB-CD 4.23Å; D42-K89 WeakPolarHBondContact OD2-CD 3.45Å; D42-K89 WeakPolarHBondContact OD2-CE 2.98Å; D42-K89 IonicContact OD2-NZ 2.88Å; D42-K89 PolarHBondContact OD2-NZ 3.47Å; S87-K89 PolarHBondContact O-N 3.25Å; S87-K89 WeakPolarHBondContact OG-CB 3.27Å; S87-K89 PolarHBondContact OG-N 3.26Å; K89-S91 PolarHBondContact O-N 2.94Å; K89-S91 VanDerWaalsContact O-N 3.17Å; K89-S94 WeakPolarHBondContact O-CB 3.05Å; K89-S94 PolarHBondContact O-OG 2.86Å; K89-Q96 HydrophobicContact CB-CB 4.12Å; K89-Q96 VanDerWaalsContact CB-OE1 3.23Å; K89-Q96 HydrophobicContact CD-CB 4.27Å; K89-Q96 VanDerWaalsContact CG-OE1 3.3Å
90	R	69.6	Low	80.5	Confident	170 Å²	170	61.5 Å²	61.5	64%	0.642	33%	0.327	S	S	*	.			trans	-88.1	77.1	-170.1	-165.3	-177.3	-174.4	-140.4	0.1	112.7	S87 N88 Q99	S87-R90 PolarHBondContact O-N 2.93Å; N88-R90 PolarHBondContact O-N 3.19Å; R90-Q99 HydrophobicContact CG-CB 4.41Å
91	S	65.4	Low	80.3	Confident	56 Å²	56	60 Å²	60	39%	0.392	33%	0.325	S	S	.	.			trans	-112.3	157.5	166.9	82.7	0	0	0	0	111.9	K89 E93 S94	K89-S91 PolarHBondContact O-N 2.94Å; K89-S91 VanDerWaalsContact O-N 3.17Å; S91-E93 PolarHBondContact O-N 3.12Å; S91-S94 VanDerWaalsContact O-CB 3.28Å; S91-S94 WeakPolarHBondContact O-CB 3.41Å; S91-S94 PolarHBondContact O-N 3.02Å; S91-S94 WeakPolarHBondContact OG-CB 3.45Å; S91-S94 PolarHBondContact OG-N 2.74Å
92	P	55	Low	80.3	Confident	76 Å²	76	59.5 Å²	59.5	49%	0.494	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.8	178.2	-21.3	34	0	0	0	114.3	E291	P92-E291 HydrophobicContact CB-CG 4.44Å
93	E	59.8	Low	80.4	Confident	104 Å²	104	57.1 Å²	57.1	49%	0.486	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	1.2	-178.4	-68	147.4	-121.6	0	0	111.8	S91 T95 N352 K356	S91-E93 PolarHBondContact O-N 3.12Å; E93-T95 PolarHBondContact O-N 3.21Å; E93-N352 PolarHBondContact OE1-ND2 2.7Å; E93-N352 PolarHBondContact OE2-ND2 3.03Å; E93-K356 WeakPolarHBondContact OE1-CE 3.49Å; E93-K356 IonicContact OE1-NZ 2.7Å
94	S	69.8	Low	80.7	Confident	16 Å²	16	54.4 Å²	54.4	11%	0.112	30%	0.299	C	S	.	.			trans	-69.5	125.7	-172.1	-172.5	0	0	0	0	113.1	K89 S91 Q96	K89-S94 WeakPolarHBondContact O-CB 3.05Å; K89-S94 PolarHBondContact O-OG 2.86Å; S91-S94 VanDerWaalsContact O-CB 3.28Å; S91-S94 WeakPolarHBondContact O-CB 3.41Å; S91-S94 PolarHBondContact O-N 3.02Å; S91-S94 WeakPolarHBondContact OG-CB 3.45Å; S91-S94 PolarHBondContact OG-N 2.74Å; S94-Q96 VanDerWaalsContact C-N 3.33Å; S94-Q96 PolarHBondContact OG-N 3.46Å
95	T	81.8	Confident	81	Confident	120 Å²	120	52.4 Å²	52.4	74%	0.736	29%	0.291	S	S	*	.			trans	-85.2	-5.3	169	51.8	0	0	0	0	113	E93	E93-T95 PolarHBondContact O-N 3.21Å
96	Q	88.4	Confident	81.5	Confident	60 Å²	60	49.6 Å²	49.6	28%	0.28	26%	0.261	S	S	.	.			trans	-79.5	145.2	178.8	-69.5	175.6	-46.3	0	0	111.9	D42 K89 S94	D42-Q96 HydrophobicContact CB-CB 4.46Å; D42-Q96 HydrophobicContact CB-CG 4.3Å; D42-Q96 PolarHBondContact O-NE2 2.77Å; D42-Q96 VanDerWaalsContact OD1-CA 3.32Å; D42-Q96 WeakPolarHBondContact OD1-CA 3.44Å; D42-Q96 WeakPolarHBondContact OD1-CB 3.34Å; K89-Q96 HydrophobicContact CB-CB 4.12Å; K89-Q96 VanDerWaalsContact CB-OE1 3.23Å; K89-Q96 HydrophobicContact CD-CB 4.27Å; K89-Q96 VanDerWaalsContact CG-OE1 3.3Å; S94-Q96 VanDerWaalsContact C-N 3.33Å; S94-Q96 PolarHBondContact OG-N 3.46Å
97	I	90.7	Very high	82.2	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-84.9	-29.3	-171.3	-53	161.8	0	0	0	111.2	D38 D42 Q99 Y248 R389 Y418 K427	D38-I97 HydrophobicContact CB-CB 4.36Å; D38-I97 HydrophobicContact CB-CD1 4.29Å; D38-I97 HydrophobicContact CB-CG2 4.19Å; D42-I97 PolarHBondContact OD1-N 2.97Å; D42-I97 PolarHBondContact OD2-N 2.81Å; I97-Q99 VanDerWaalsContact C-N 3.26Å; I97-Q99 PolarHBondContact O-N 2.74Å; I97-Y248 HydrophobicContact CD1-CD1 4.35Å; I97-Y248 HydrophobicContact CD1-CE1 3.67Å; I97-R389 HydrophobicContact CD1-CB 3.96Å; I97-R389 HydrophobicContact CG1-CB 4.16Å; I97-R389 HydrophobicContact CG2-CB 4.03Å; I97-R389 HydrophobicContact CG2-CG 4.01Å; I97-Y418 WeakPolarHBondContact CA-OH 3.49Å; I97-Y418 PolarHBondContact O-OH 2.9Å; I97-K427 HydrophobicContact CG2-CD 4.12Å
98	G	84.8	Confident	82.9	Confident	10 Å²	10	44.3 Å²	44.3	10%	0.103	24%	0.235	C	C	.	.			trans	-76.7	47.1	-172.7	0	0	0	0	0	116.2	D42 S87 Y100	D42-G98 WeakPolarHBondContact OD2-CA 3.2Å; D42-G98 PolarHBondContact OD2-N 3.23Å; S87-G98 WeakPolarHBondContact CB-O 3.34Å; S87-G98 PolarHBondContact OG-O 3.09Å; G98-Y100 PolarHBondContact O-N 2.85Å
99	Q	82.8	Confident	83.9	Confident	17 Å²	17	38.4 Å²	38.4	8%	0.079	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-27	-173.4	-62.1	-149.1	-10.1	0	0	115.6	R90 I97 Y418	R90-Q99 HydrophobicContact CG-CB 4.41Å; I97-Q99 VanDerWaalsContact C-N 3.26Å; I97-Q99 PolarHBondContact O-N 2.74Å; Q99-Y418 HydrophobicContact CG-CE1 4.44Å; Q99-Y418 HydrophobicContact CG-CE2 3.93Å
100	Y	84.3	Confident	84.8	Confident	60 Å²	60	38 Å²	38	24%	0.235	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-7.8	-170.8	-55.9	-52.5	0	0	0	115.8	G85 G98 N102 P423	G85-Y100 WeakPolarHBondContact CA-O 3.49Å; G98-Y100 PolarHBondContact O-N 2.85Å; Y100-N102 PolarHBondContact O-N 2.72Å; Y100-P423 HydrophobicContact CE2-CG 4.08Å; Y100-P423 VanDerWaalsContact OH-CD 3.23Å; Y100-P423 WeakPolarHBondContact OH-CD 3.47Å; Y100-P423 WeakPolarHBondContact OH-CG 3.33Å; Y100-P423 PolarHBondContact OH-O 2.65Å
101	G	87.1	Confident	86.2	Confident	16 Å²	16	30.2 Å²	30.2	17%	0.165	17%	0.171	C	C	.	.	S	Bend	trans	63.4	25.5	-179.9	0	0	0	0	0	114.9	G85 K86 K105	G85-G101 PolarHBondContact N-O 2.99Å; K86-G101 WeakPolarHBondContact O-CA 3.45Å; G101-K105 PolarHBondContact O-NZ 3.49Å
102	N	92.2	Very high	87.8	Confident	12 Å²	12	27.5 Å²	27.5	6%	0.064	15%	0.153	C	C	.	.			trans	-136.1	-18	-172.5	-166.8	37.5	0	0	0	115.7	N22 F84 Y100 L104 K105 S106 H425	N22-N102 PolarHBondContact ND2-ND2 3.33Å; N22-N102 PolarHBondContact ND2-OD1 3.39Å; N22-N102 PolarHBondContact OD1-ND2 3.23Å; F84-N102 WeakPolarHBondContact CD1-OD1 3.38Å; F84-N102 WeakPolarHBondContact CE1-OD1 3.47Å; Y100-N102 PolarHBondContact O-N 2.72Å; N102-L104 PolarHBondContact O-N 2.86Å; N102-K105 PolarHBondContact O-N 3.14Å; N102-S106 PolarHBondContact O-N 3.23Å; N102-H425 PolarHBondContact ND2-CE1 2.98Å; N102-H425 VanDerWaalsContact ND2-CE1 3.25Å; N102-H425 PolarHBondContact ND2-NE2 3.36Å
103	G	92.8	Very high	89.8	Confident	12 Å²	12	26 Å²	26	12%	0.124	14%	0.138	C	C	.	.	H	α-helix	trans	-49.8	-49.3	-169.8	0	0	0	0	0	115.4	E35 K105 S106 G107	E35-G103 WeakPolarHBondContact CB-O 3.22Å; E35-G103 WeakPolarHBondContact OE2-CA 3.09Å; G103-K105 VanDerWaalsContact C-N 3.3Å; G103-K105 PolarHBondContact O-N 2.67Å; G103-S106 PolarHBondContact O-OG 3.45Å; G103-G107 PolarHBondContact O-N 3.29Å
104	L	95.3	Very high	91.6	Very high	18 Å²	18	21 Å²	21	9%	0.094	12%	0.115	C	C	.	.	H	α-helix	trans	-58.8	-40	176.9	180	64.9	0	0	0	112.4	L36 V81 N102 S108 F115 L117 V199	L36-L104 HydrophobicContact CD1-CD1 4.33Å; L36-L104 HydrophobicContact CD2-CD1 4.11Å; L36-L104 HydrophobicContact CG-CD1 3.86Å; V81-L104 HydrophobicContact CG1-CD2 3.6Å; N102-L104 PolarHBondContact O-N 2.86Å; L104-S108 VanDerWaalsContact O-CB 3.27Å; L104-S108 WeakPolarHBondContact O-CB 3.28Å; L104-S108 PolarHBondContact O-N 3.18Å; L104-S108 PolarHBondContact O-OG 3.21Å; L104-F115 HydrophobicContact CD2-CE2 4.16Å; L104-F115 HydrophobicContact CD2-CZ 3.98Å; L104-F115 HydrophobicContact CG-CZ 4.14Å; L104-L117 HydrophobicContact CD2-CD1 3.88Å; L104-V199 HydrophobicContact CD1-CG1 4.17Å; L104-V199 HydrophobicContact CD1-CG2 4.42Å
105	K	94.9	Very high	93	Very high	11 Å²	11	20.4 Å²	20.4	5%	0.048	11%	0.11	C	C	.	.	H	α-helix	trans	-76.2	-38.5	-175.1	-62.2	105.4	92.2	162.1	0	112.5	V81 Q83 F84 G101 N102 G103 M109	V81-K105 VanDerWaalsContact O-CD 3.3Å; V81-K105 WeakPolarHBondContact O-CD 3.46Å; V81-K105 VanDerWaalsContact O-CE 3.23Å; V81-K105 WeakPolarHBondContact O-CE 3.37Å; V81-K105 PolarHBondContact O-NZ 3.16Å; Q83-K105 PolarHBondContact O-NZ 3.05Å; F84-K105 HydrophobicContact CE1-CB 3.74Å; F84-K105 HydrophobicContact CE1-CD 4.43Å; F84-K105 HydrophobicContact CE1-CG 4.1Å; F84-K105 HydrophobicContact CE2-CG 4.28Å; F84-K105 HydrophobicContact CZ-CB 3.76Å; F84-K105 HydrophobicContact CZ-CD 4.33Å; F84-K105 HydrophobicContact CZ-CG 3.76Å; G101-K105 PolarHBondContact O-NZ 3.49Å; N102-K105 PolarHBondContact O-N 3.14Å; G103-K105 VanDerWaalsContact C-N 3.3Å; G103-K105 PolarHBondContact O-N 2.67Å; K105-M109 WeakPolarHBondContact O-CB 3.46Å; K105-M109 VanDerWaalsContact O-CG 3.24Å; K105-M109 WeakPolarHBondContact O-CG 3.33Å
106	S	96.1	Very high	93.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.007	8%	0.075	C	C	.	.	H	α-helix	trans	-73.8	-38.2	173.6	61.5	0	0	0	0	111.5	N22 H26 N102 G103 R110	N22-S106 PolarHBondContact ND2-N 2.6Å; N22-S106 WeakPolarHBondContact O-CB 3.27Å; H26-S106 PolarHBondContact CD2-O 2.89Å; H26-S106 PolarHBondContact NE2-OG 3.42Å; H26-S106 VanDerWaalsContact NE2-OG 3.13Å; N102-S106 PolarHBondContact O-N 3.23Å; G103-S106 PolarHBondContact O-OG 3.45Å; S106-R110 WeakPolarHBondContact O-CB 3.46Å; S106-R110 PolarHBondContact O-N 2.85Å
107	G	97.4	Very high	94.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.5	-57.5	-179.4	0	0	0	0	0	113.6	G103 M109 R110 I111	G103-G107 PolarHBondContact O-N 3.29Å; G107-M109 PolarHBondContact O-N 2.95Å; G107-R110 WeakPolarHBondContact O-CB 3.46Å; G107-R110 PolarHBondContact O-N 2.93Å; G107-R110 VanDerWaalsContact O-N 3.11Å; G107-I111 WeakPolarHBondContact O-CD1 3.2Å; G107-I111 WeakPolarHBondContact O-CG1 3.43Å; G107-I111 PolarHBondContact O-N 2.84Å; G107-I111 VanDerWaalsContact O-N 3.17Å
108	S	97.8	Very high	94.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59	-45.8	-178.6	57.2	0	0	0	0	112.9	L104 R110 I111 G112 F115	L104-S108 VanDerWaalsContact O-CB 3.27Å; L104-S108 WeakPolarHBondContact O-CB 3.28Å; L104-S108 PolarHBondContact O-N 3.18Å; L104-S108 PolarHBondContact O-OG 3.21Å; S108-R110 PolarHBondContact O-N 3.48Å; S108-I111 PolarHBondContact O-N 3.29Å; S108-I111 VanDerWaalsContact O-N 3.12Å; S108-G112 PolarHBondContact O-N 3.02Å; S108-F115 VanDerWaalsContact CB-CD1 3.42Å; S108-F115 WeakPolarHBondContact OG-CD1 3.25Å; S108-F115 VanDerWaalsContact OG-CE1 3.25Å; S108-F115 WeakPolarHBondContact OG-CE1 3.31Å
109	M	97.6	Very high	95.3	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-69.5	-15.6	178.8	-63.7	-71.5	96.5	0	0	113.8	L19 S23 K105 G107 G112 K113 F115 L130 R132 K205	L19-M109 HydrophobicContact CB-CG 4.31Å; L19-M109 HydrophobicContact CB-SD 4.15Å; L19-M109 HydrophobicContact CD1-SD 4.44Å; S23-M109 VanDerWaalsContact CB-C 3.46Å; S23-M109 WeakPolarHBondContact CB-O 2.91Å; K105-M109 WeakPolarHBondContact O-CB 3.46Å; K105-M109 VanDerWaalsContact O-CG 3.24Å; K105-M109 WeakPolarHBondContact O-CG 3.33Å; G107-M109 PolarHBondContact O-N 2.95Å; M109-G112 CarbonylContact C-O 3.43Å; M109-K113 WeakPolarHBondContact CE-O 3.38Å; M109-F115 HydrophobicContact CE-CD1 3.98Å; M109-L130 HydrophobicContact CE-CD2 4.17Å; M109-L130 HydrophobicContact CG-CD2 4.46Å; M109-L130 HydrophobicContact SD-CD2 4.16Å; M109-R132 HydrophobicContact SD-CG 3.94Å; M109-K205 WeakPolarHBondContact O-CE 3.39Å; M109-K205 PolarHBondContact O-NZ 3.31Å
110	R	98.1	Very high	96.1	Very high	37 Å²	37	11.9 Å²	11.9	14%	0.14	6%	0.059	C	C	.	.	H	α-helix	trans	-80.3	-39	168.9	172.8	64.8	-174.1	89.7	-5	111.7	H26 L29 A32 S106 G107 S108 K205 E213	H26-R110 HydrophobicContact CB-CB 4.17Å; H26-R110 HydrophobicContact CB-CG 3.71Å; H26-R110 VanDerWaalsContact O-CD 3.31Å; H26-R110 WeakPolarHBondContact O-CD 3.48Å; H26-R110 PolarHBondContact O-NE 3.13Å; L29-R110 HydrophobicContact CD1-CG 3.94Å; A32-R110 HydrophobicContact CB-CB 3.89Å; A32-R110 HydrophobicContact CB-CG 3.81Å; S106-R110 WeakPolarHBondContact O-CB 3.46Å; S106-R110 PolarHBondContact O-N 2.85Å; G107-R110 WeakPolarHBondContact O-CB 3.46Å; G107-R110 PolarHBondContact O-N 2.93Å; G107-R110 VanDerWaalsContact O-N 3.11Å; S108-R110 PolarHBondContact O-N 3.48Å; R110-K205 VanDerWaalsContact O-CE 3.24Å; R110-K205 WeakPolarHBondContact O-CE 3.42Å; R110-K205 WeakPolarHBondContact O-CG 3.46Å; R110-E213 IonicContact CZ-OE1 3.78Å; R110-E213 IonicContact CZ-OE2 2.62Å; R110-E213 IonicContact NH1-OE1 3.45Å; R110-E213 PolarHBondContact NH1-OE1 3.39Å; R110-E213 IonicContact NH1-OE2 2.7Å; R110-E213 PolarHBondContact NH1-OE2 2.84Å; R110-E213 IonicContact NH2-OE1 3.66Å; R110-E213 PolarHBondContact NH2-OE1 2.85Å; R110-E213 IonicContact NH2-OE2 3.51Å
111	I	98.3	Very high	96.7	Very high	5 Å²	5	10.7 Å²	10.7	3%	0.026	6%	0.055	C	C	.	.	H	α-helix	trans	-78.9	-46.2	-175.9	-63.1	160.8	0	0	0	111.3	L29 A32 L33 L36 L64 G107 S108 V201 L204 K205 L214	L29-I111 HydrophobicContact CD1-CG1 3.96Å; A32-I111 HydrophobicContact CB-CD1 4.29Å; A32-I111 HydrophobicContact CB-CG1 4.09Å; L33-I111 HydrophobicContact CB-CD1 4.48Å; L33-I111 HydrophobicContact CD1-CD1 3.73Å; L33-I111 HydrophobicContact CD1-CG1 3.75Å; L33-I111 HydrophobicContact CG-CD1 3.84Å; L33-I111 HydrophobicContact CG-CG1 4.41Å; L36-I111 HydrophobicContact CD1-CD1 4.48Å; L64-I111 HydrophobicContact CD2-CG2 4.08Å; G107-I111 WeakPolarHBondContact O-CD1 3.2Å; G107-I111 WeakPolarHBondContact O-CG1 3.43Å; G107-I111 PolarHBondContact O-N 2.84Å; G107-I111 VanDerWaalsContact O-N 3.17Å; S108-I111 PolarHBondContact O-N 3.29Å; S108-I111 VanDerWaalsContact O-N 3.12Å; I111-V201 HydrophobicContact CB-CG1 4.05Å; I111-V201 HydrophobicContact CG2-CB 4.44Å; I111-V201 HydrophobicContact CG2-CG1 3.83Å; I111-L204 HydrophobicContact CG2-CD2 4.03Å; I111-K205 PolarHBondContact O-N 2.8Å; I111-K205 VanDerWaalsContact O-N 3.1Å; I111-L214 HydrophobicContact CG2-CD1 4.49Å
112	G	97.9	Very high	96.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	179.8	-177.3	0	0	0	0	0	113.4	S108 M109 Y202 N203 K205	S108-G112 PolarHBondContact O-N 3.02Å; M109-G112 CarbonylContact C-O 3.43Å; G112-Y202 WeakPolarHBondContact CA-O 3.38Å; G112-N203 CarbonylContact C-O 3.22Å; G112-K205 WeakPolarHBondContact O-CE 3.18Å; G112-K205 PolarHBondContact O-NZ 3.48Å
113	K	97.9	Very high	97	Very high	43 Å²	43	17.6 Å²	17.6	19%	0.187	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-32.2	167.5	-177.2	177.7	179.4	-162.4	0	111	M109 R132 T133 E136 Y202 N203	M109-K113 WeakPolarHBondContact CE-O 3.38Å; K113-R132 HydrophobicContact CG-CB 3.83Å; K113-R132 WeakPolarHBondContact O-CB 3.31Å; K113-R132 WeakPolarHBondContact O-CG 3.27Å; K113-T133 WeakPolarHBondContact CD-OG1 3.5Å; K113-T133 WeakPolarHBondContact CE-OG1 3.44Å; K113-T133 PolarHBondContact NZ-OG1 2.83Å; K113-E136 VanDerWaalsContact CE-OE1 3.28Å; K113-E136 WeakPolarHBondContact CE-OE1 3.43Å; K113-E136 WeakPolarHBondContact CE-OE2 3.36Å; K113-E136 IonicContact NZ-OE1 2.74Å; K113-E136 IonicContact NZ-OE2 2.65Å; K113-E136 PolarHBondContact NZ-OE2 3.38Å; K113-Y202 PolarHBondContact N-O 3.31Å; K113-N203 HydrophobicContact CB-CB 3.84Å; K113-N203 WeakPolarHBondContact CB-O 3.34Å; K113-N203 PolarHBondContact N-O 3.29Å
114	D	98.4	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.3	-170.1	-55.1	-67.5	0	0	0	110.2	S131 R132 T133 Y202 N203	D114-S131 VanDerWaalsContact OD1-C 3.26Å; D114-S131 WeakPolarHBondContact OD1-CA 3.31Å; D114-S131 VanDerWaalsContact OD1-CB 3.25Å; D114-S131 WeakPolarHBondContact OD1-CB 3.45Å; D114-S131 PolarHBondContact OD1-OG 3.17Å; D114-R132 PolarHBondContact OD1-N 3.49Å; D114-T133 WeakPolarHBondContact OD1-CB 3.22Å; D114-T133 PolarHBondContact OD1-N 2.94Å; D114-T133 PolarHBondContact OD1-OG1 2.84Å; D114-T133 PolarHBondContact OD2-OG1 2.89Å; D114-Y202 HydrophobicContact CB-CD1 4.1Å; D114-Y202 HydrophobicContact CB-CD2 4.19Å; D114-Y202 HydrophobicContact CB-CE1 3.55Å; D114-Y202 HydrophobicContact CB-CE2 3.68Å; D114-Y202 HydrophobicContact CB-CG 4.38Å; D114-Y202 PolarHBondContact N-O 2.91Å; D114-Y202 PolarHBondContact O-N 3.48Å; D114-N203 PolarHBondContact OD2-ND2 2.84Å
115	F	98.5	Very high	97.3	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.013	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.4	164.8	86.8	-97.5	0	0	0	112.4	L104 S108 M109 L117 L128 L130 V199 V200 V201	L104-F115 HydrophobicContact CD2-CE2 4.16Å; L104-F115 HydrophobicContact CD2-CZ 3.98Å; L104-F115 HydrophobicContact CG-CZ 4.14Å; S108-F115 VanDerWaalsContact CB-CD1 3.42Å; S108-F115 WeakPolarHBondContact OG-CD1 3.25Å; S108-F115 VanDerWaalsContact OG-CE1 3.25Å; S108-F115 WeakPolarHBondContact OG-CE1 3.31Å; M109-F115 HydrophobicContact CE-CD1 3.98Å; F115-L117 HydrophobicContact CD2-CB 4.29Å; F115-L117 HydrophobicContact CE2-CB 3.98Å; F115-L128 HydrophobicContact CE2-CD2 4.03Å; F115-L128 HydrophobicContact CZ-CD2 4.09Å; F115-L130 HydrophobicContact CD1-CB 4Å; F115-L130 HydrophobicContact CD1-CD2 4.15Å; F115-L130 HydrophobicContact CE1-CB 3.7Å; F115-L130 HydrophobicContact CE1-CD2 3.56Å; F115-L130 HydrophobicContact CE1-CG 4.24Å; F115-L130 HydrophobicContact CZ-CB 4.08Å; F115-L130 HydrophobicContact CZ-CD2 4.41Å; F115-L130 PolarHBondContact N-O 3.28Å; F115-L130 CarbonylContact O-C 3.24Å; F115-L130 PolarHBondContact O-N 2.94Å; F115-V199 HydrophobicContact CD2-CG1 4.02Å; F115-V200 VanDerWaalsContact CA-O 3.28Å; F115-V200 WeakPolarHBondContact CA-O 3.41Å; F115-V200 WeakPolarHBondContact CB-O 3.5Å; F115-V201 HydrophobicContact CB-CG2 4.06Å
116	I	98.7	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.2	171.4	-170.7	165.5	0	0	0	108.8	F118 F129 I172 F178 L184 V200 Y202	I116-F118 HydrophobicContact CD1-CE1 4.25Å; I116-F118 HydrophobicContact CD1-CZ 3.81Å; I116-F118 HydrophobicContact CG1-CE1 4.34Å; I116-F118 HydrophobicContact CG1-CE2 4.24Å; I116-F118 HydrophobicContact CG1-CZ 3.87Å; I116-F118 HydrophobicContact CG2-CE2 3.99Å; I116-F118 HydrophobicContact CG2-CZ 4.18Å; I116-F129 HydrophobicContact CB-CD2 3.8Å; I116-F129 HydrophobicContact CB-CE2 4.4Å; I116-F129 HydrophobicContact CD1-CB 4.34Å; I116-F129 HydrophobicContact CD1-CD2 3.99Å; I116-F129 HydrophobicContact CD1-CG 4.25Å; I116-F129 HydrophobicContact CG1-CB 4.24Å; I116-F129 HydrophobicContact CG1-CD2 4Å; I116-F129 HydrophobicContact CG1-CG 4.43Å; I116-I172 HydrophobicContact CD1-CG2 3.97Å; I116-F178 HydrophobicContact CD1-CD2 4.36Å; I116-F178 HydrophobicContact CG2-CD2 4.39Å; I116-F178 HydrophobicContact CG2-CE2 3.84Å; I116-L184 HydrophobicContact CD1-CD1 4.32Å; I116-V200 HydrophobicContact CG2-CB 3.93Å; I116-V200 HydrophobicContact CG2-CG2 4.49Å; I116-V200 PolarHBondContact N-O 3.48Å; I116-V200 PolarHBondContact O-N 3.3Å; I116-Y202 HydrophobicContact CG2-CE1 4.49Å
117	L	98.8	Very high	97.5	Very high	3 Å²	3	17 Å²	17	2%	0.016	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.4	-175.8	176.2	159.8	0	0	0	109	M73 L104 F115 T119 C127 L128 T197 L198 V199	M73-L117 HydrophobicContact CE-CD1 4.11Å; M73-L117 HydrophobicContact CE-CD2 3.89Å; L104-L117 HydrophobicContact CD2-CD1 3.88Å; F115-L117 HydrophobicContact CD2-CB 4.29Å; F115-L117 HydrophobicContact CE2-CB 3.98Å; L117-T119 HydrophobicContact CD2-CG2 4Å; L117-C127 CarbonylContact O-C 3.42Å; L117-C127 WeakPolarHBondContact O-CA 3.34Å; L117-L128 HydrophobicContact CB-CB 4.31Å; L117-L128 HydrophobicContact CD2-CB 4.33Å; L117-L128 PolarHBondContact N-O 3.5Å; L117-L128 PolarHBondContact O-N 3.29Å; L117-T197 HydrophobicContact CD1-CG2 4.12Å; L117-T197 HydrophobicContact CD2-CG2 4.15Å; L117-T197 HydrophobicContact CG-CG2 3.96Å; L117-L198 CarbonylContact C-O 3.58Å; L117-L198 WeakPolarHBondContact CA-O 3.43Å; L117-V199 HydrophobicContact CD1-CG2 3.91Å; L117-V199 HydrophobicContact CG-CG2 4.15Å
118	F	98.7	Very high	97.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135	172.6	-53.6	-80.5	0	0	0	107.9	I116 C127 F178 L184 Q187 F188 T197 L198 V200	I116-F118 HydrophobicContact CD1-CE1 4.25Å; I116-F118 HydrophobicContact CD1-CZ 3.81Å; I116-F118 HydrophobicContact CG1-CE1 4.34Å; I116-F118 HydrophobicContact CG1-CE2 4.24Å; I116-F118 HydrophobicContact CG1-CZ 3.87Å; I116-F118 HydrophobicContact CG2-CE2 3.99Å; I116-F118 HydrophobicContact CG2-CZ 4.18Å; F118-C127 HydrophobicContact CD1-CB 4.36Å; F118-F178 HydrophobicContact CE2-CD2 4.49Å; F118-F178 AromaticContact CE2-CE2 3.97Å; F118-F178 HydrophobicContact CE2-CE2 3.97Å; F118-F178 AromaticContact CZ-CD2 3.89Å; F118-F178 HydrophobicContact CZ-CD2 3.89Å; F118-F178 AromaticContact CZ-CE2 3.83Å; F118-F178 HydrophobicContact CZ-CE2 3.83Å; F118-L184 HydrophobicContact CE1-CD1 3.57Å; F118-L184 HydrophobicContact CE1-CG 3.87Å; F118-L184 HydrophobicContact CZ-CD1 3.98Å; F118-Q187 HydrophobicContact CD1-CB 4.16Å; F118-Q187 HydrophobicContact CD2-CB 3.69Å; F118-Q187 HydrophobicContact CD2-CG 4.42Å; F118-Q187 HydrophobicContact CE1-CB 4.02Å; F118-Q187 HydrophobicContact CE1-CG 4.4Å; F118-Q187 HydrophobicContact CE2-CB 3.52Å; F118-Q187 HydrophobicContact CE2-CG 3.75Å; F118-Q187 HydrophobicContact CG-CB 4Å; F118-Q187 HydrophobicContact CZ-CB 3.7Å; F118-Q187 HydrophobicContact CZ-CG 3.74Å; F118-F188 HydrophobicContact CB-CD1 3.84Å; F118-F188 HydrophobicContact CB-CE1 3.77Å; F118-F188 HydrophobicContact CB-CZ 4.45Å; F118-F188 HydrophobicContact CD1-CD1 4.33Å; F118-F188 HydrophobicContact CD1-CD2 4.3Å; F118-F188 HydrophobicContact CD1-CE1 4.06Å; F118-F188 HydrophobicContact CD1-CE2 4.03Å; F118-F188 HydrophobicContact CD1-CG 4.46Å; F118-F188 AromaticContact CD1-CZ 3.91Å; F118-F188 HydrophobicContact CD1-CZ 3.91Å; F118-F188 HydrophobicContact CG-CE1 4.43Å; F118-T197 WeakPolarHBondContact O-CA 3.5Å; F118-L198 HydrophobicContact CB-CB 4.33Å; F118-L198 HydrophobicContact CD2-CD2 4.06Å; F118-L198 HydrophobicContact CD2-CG 4.24Å; F118-L198 PolarHBondContact N-O 3.22Å; F118-L198 PolarHBondContact O-N 2.7Å; F118-V200 HydrophobicContact CD2-CG2 4.34Å; F118-V200 HydrophobicContact CE2-CG2 4.03Å
119	T	98.6	Very high	97.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.3	177	-168.8	0	0	0	0	111.2	G72 M73 L117 T126 G196 T197	G72-T119 WeakPolarHBondContact CA-OG1 3.32Å; M73-T119 HydrophobicContact CB-CG2 4.05Å; M73-T119 HydrophobicContact CE-CG2 4.18Å; M73-T119 PolarHBondContact N-OG1 2.98Å; M73-T119 WeakPolarHBondContact O-CG2 3.41Å; L117-T119 HydrophobicContact CD2-CG2 4Å; T119-T126 PolarHBondContact N-O 3Å; T119-T126 PolarHBondContact O-N 2.97Å; T119-G196 WeakPolarHBondContact CA-O 3.44Å; T119-G196 PolarHBondContact OG1-O 3.06Å; T119-G196 VanDerWaalsContact OG1-O 3.08Å; T119-T197 PolarHBondContact OG1-OG1 2.98Å
120	K	97.9	Very high	97.6	Very high	28 Å²	28	17.4 Å²	17.4	12%	0.122	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.8	-172.4	178.2	-174.8	-176.1	-178.4	0	107.8	G72 T124 L125 L152 I191 S193 S194 S195 G196	G72-K120 WeakPolarHBondContact CA-O 3.44Å; K120-T124 WeakPolarHBondContact CA-O 3.4Å; K120-L125 HydrophobicContact CB-CD2 3.8Å; K120-L125 HydrophobicContact CD-CD2 4.22Å; K120-L125 HydrophobicContact CG-CD2 3.71Å; K120-L152 HydrophobicContact CD-CD1 4.41Å; K120-L152 HydrophobicContact CG-CD1 4.43Å; K120-I191 HydrophobicContact CB-CD1 4.24Å; K120-I191 HydrophobicContact CB-CG2 4.24Å; K120-I191 HydrophobicContact CD-CB 4.26Å; K120-I191 HydrophobicContact CD-CG2 3.92Å; K120-I191 PolarHBondContact NZ-O 3.33Å; K120-S193 WeakPolarHBondContact CD-O 3.32Å; K120-S193 VanDerWaalsContact CE-O 3.24Å; K120-S193 WeakPolarHBondContact CE-O 3.42Å; K120-S193 PolarHBondContact NZ-O 3.07Å; K120-S194 WeakPolarHBondContact CE-O 3.47Å; K120-S194 WeakPolarHBondContact CG-O 3.24Å; K120-S195 CarbonylContact O-C 3.45Å; K120-S195 WeakPolarHBondContact O-CA 3.44Å; K120-S195 WeakPolarHBondContact O-CB 3.35Å; K120-G196 PolarHBondContact N-O 3.31Å; K120-G196 PolarHBondContact O-N 2.96Å
121	K	96.9	Very high	97.6	Very high	35 Å²	35	15.7 Å²	15.7	15%	0.152	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	138.2	177.3	-176	-174.6	166.4	-167	0	108.8	I71 D74 E77 N123 T124	I71-K121 WeakPolarHBondContact O-CG 3.33Å; D74-K121 HydrophobicContact CB-CD 4.06Å; D74-K121 IonicContact OD2-NZ 2.65Å; D74-K121 PolarHBondContact OD2-NZ 3.41Å; E77-K121 IonicContact OE1-NZ 3.16Å; E77-K121 PolarHBondContact OE1-NZ 3.41Å; E77-K121 IonicContact OE2-NZ 2.67Å; E77-K121 PolarHBondContact OE2-NZ 2.78Å; K121-N123 PolarHBondContact O-N 2.94Å; K121-T124 PolarHBondContact N-O 2.72Å; K121-T124 PolarHBondContact O-N 2.72Å; K121-T124 PolarHBondContact O-OG1 2.92Å
122	D	92.3	Very high	97.5	Very high	122 Å²	122	16.8 Å²	16.8	65%	0.652	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	-124.5	-177.3	-49.8	-38.9	0	0	0	110.9	L152	D122-L152 WeakPolarHBondContact O-CD2 3.3Å
123	N	93.3	Very high	97.5	Very high	51 Å²	51	17.5 Å²	17.5	27%	0.273	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	22.2	174.8	-148.7	70.8	0	0	0	113.5	K121 D151 L152 K153	K121-N123 PolarHBondContact O-N 2.94Å; N123-D151 PolarHBondContact ND2-OD1 2.93Å; N123-D151 VanDerWaalsContact ND2-OD1 3.11Å; N123-D151 PolarHBondContact ND2-OD2 3.41Å; N123-L152 VanDerWaalsContact C-CB 3.47Å; N123-L152 VanDerWaalsContact O-CB 3.31Å; N123-L152 WeakPolarHBondContact O-CB 3.32Å; N123-L152 PolarHBondContact O-N 3.08Å; N123-K153 WeakPolarHBondContact OD1-CD 3.48Å; N123-K153 WeakPolarHBondContact OD1-CE 3.38Å
124	T	97.1	Very high	97.5	Very high	27 Å²	27	16 Å²	16	17%	0.166	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.6	-173.8	69.8	0	0	0	0	113.8	K120 K121 L158	K120-T124 WeakPolarHBondContact CA-O 3.4Å; K121-T124 PolarHBondContact N-O 2.72Å; K121-T124 PolarHBondContact O-N 2.72Å; K121-T124 PolarHBondContact O-OG1 2.92Å; T124-L158 HydrophobicContact CG2-CD1 3.96Å
125	L	97.8	Very high	97.4	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.1	168.8	-65	176.3	0	0	0	108.5	K120 S149 W150 L152 K155 M185 F188	K120-L125 HydrophobicContact CB-CD2 3.8Å; K120-L125 HydrophobicContact CD-CD2 4.22Å; K120-L125 HydrophobicContact CG-CD2 3.71Å; L125-S149 CarbonylContact O-C 3.52Å; L125-S149 VanDerWaalsContact O-CA 3.23Å; L125-S149 WeakPolarHBondContact O-CA 3.32Å; L125-W150 HydrophobicContact CB-CB 4.4Å; L125-W150 PolarHBondContact N-O 2.78Å; L125-W150 PolarHBondContact O-N 3.19Å; L125-L152 HydrophobicContact CD1-CD1 4.14Å; L125-L152 HydrophobicContact CD2-CD1 3.84Å; L125-L152 HydrophobicContact CG-CD1 4Å; L125-K155 HydrophobicContact CD1-CD 4.31Å; L125-M185 HydrophobicContact CD1-SD 4.48Å; L125-F188 HydrophobicContact CB-CD1 4.08Å; L125-F188 HydrophobicContact CB-CE1 3.82Å; L125-F188 HydrophobicContact CB-CE2 4.31Å; L125-F188 HydrophobicContact CB-CG 4.42Å; L125-F188 HydrophobicContact CB-CZ 3.94Å; L125-F188 HydrophobicContact CD1-CB 4.3Å; L125-F188 HydrophobicContact CD1-CD2 4.39Å; L125-F188 HydrophobicContact CD1-CG 4.19Å; L125-F188 HydrophobicContact CD2-CB 4.26Å; L125-F188 HydrophobicContact CD2-CD1 3.7Å; L125-F188 HydrophobicContact CD2-CE1 4.2Å; L125-F188 HydrophobicContact CD2-CG 4.1Å; L125-F188 HydrophobicContact CG-CD1 4.32Å; L125-F188 HydrophobicContact CG-CG 4.48Å
126	T	98.1	Very high	97.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.3	179.5	-51.6	0	0	0	0	110.8	A78 T119 L147 F188	A78-T126 HydrophobicContact CB-CG2 3.67Å; T119-T126 PolarHBondContact N-O 3Å; T119-T126 PolarHBondContact O-N 2.97Å; T126-L147 HydrophobicContact CG2-CD2 3.98Å; T126-F188 WeakPolarHBondContact O-CE1 3.47Å
127	C	98.4	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.4	171.5	-179.7	0	0	0	0	109.6	L117 F118 L147 P148 W150 F188	L117-C127 CarbonylContact O-C 3.42Å; L117-C127 WeakPolarHBondContact O-CA 3.34Å; F118-C127 HydrophobicContact CD1-CB 4.36Å; C127-L147 CarbonylContact O-C 3.47Å; C127-L147 WeakPolarHBondContact O-CA 3.33Å; C127-P148 HydrophobicContact CB-CG 4.29Å; C127-P148 PolarHBondContact N-O 2.98Å; C127-P148 WeakPolarHBondContact O-CD 3.49Å; C127-W150 HydrophobicContact CB-CH2 4.18Å; C127-W150 HydrophobicContact CB-CZ3 3.73Å; C127-F188 HydrophobicContact CB-CZ 4.05Å
128	L	98.6	Very high	97.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.6	175.3	-176.6	171.4	0	0	0	108.7	V81 I82 F115 L117 V145 L147	V81-L128 HydrophobicContact CB-CD1 3.61Å; V81-L128 HydrophobicContact CG1-CD1 3.68Å; V81-L128 HydrophobicContact CG2-CD1 4.26Å; I82-L128 HydrophobicContact CG2-CD1 4.2Å; I82-L128 HydrophobicContact CG2-CD2 4.38Å; I82-L128 HydrophobicContact CG2-CG 4.46Å; F115-L128 HydrophobicContact CE2-CD2 4.03Å; F115-L128 HydrophobicContact CZ-CD2 4.09Å; L117-L128 HydrophobicContact CB-CB 4.31Å; L117-L128 HydrophobicContact CD2-CB 4.33Å; L117-L128 PolarHBondContact N-O 3.5Å; L117-L128 PolarHBondContact O-N 3.29Å; L128-V145 HydrophobicContact CD2-CG1 3.69Å; L128-V145 HydrophobicContact CG-CG1 4.03Å; L128-L147 HydrophobicContact CB-CD2 3.68Å; L128-L147 HydrophobicContact CB-CG 4.28Å; L128-L147 HydrophobicContact CD1-CD2 4.16Å; L128-L147 HydrophobicContact CG-CD1 4.47Å; L128-L147 HydrophobicContact CG-CD2 3.85Å; L128-L147 HydrophobicContact CG-CG 4.08Å
129	F	98.4	Very high	97	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.7	-174.3	-177.9	-142	0	0	0	113.5	I116 V145 P146 I172 Y202	I116-F129 HydrophobicContact CB-CD2 3.8Å; I116-F129 HydrophobicContact CB-CE2 4.4Å; I116-F129 HydrophobicContact CD1-CB 4.34Å; I116-F129 HydrophobicContact CD1-CD2 3.99Å; I116-F129 HydrophobicContact CD1-CG 4.25Å; I116-F129 HydrophobicContact CG1-CB 4.24Å; I116-F129 HydrophobicContact CG1-CD2 4Å; I116-F129 HydrophobicContact CG1-CG 4.43Å; F129-V145 VanDerWaalsContact O-CG1 3.22Å; F129-V145 WeakPolarHBondContact O-CG1 3.27Å; F129-P146 HydrophobicContact CB-CB 4.32Å; F129-P146 HydrophobicContact CD1-CG 4.26Å; F129-P146 PolarHBondContact N-O 3.38Å; F129-P146 WeakPolarHBondContact O-CD 3.44Å; F129-I172 HydrophobicContact CB-CD1 4.29Å; F129-I172 HydrophobicContact CB-CG1 3.84Å; F129-I172 HydrophobicContact CD1-CB 4.29Å; F129-I172 HydrophobicContact CD1-CG1 3.51Å; F129-I172 HydrophobicContact CE1-CG1 4.33Å; F129-I172 HydrophobicContact CG-CG1 3.92Å; F129-Y202 HydrophobicContact CE2-CE1 4.39Å; F129-Y202 VanDerWaalsContact CE2-OH 3.27Å; F129-Y202 WeakPolarHBondContact CE2-OH 3.44Å
130	L	97.8	Very high	96.8	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	91.2	174.6	-173.3	73	0	0	0	110.4	L19 M109 F115 V143 V145	L19-L130 HydrophobicContact CD1-CD1 4.06Å; L19-L130 HydrophobicContact CD1-CD2 4.35Å; L19-L130 HydrophobicContact CD1-CG 4.43Å; L19-L130 HydrophobicContact CD2-CD2 4.25Å; M109-L130 HydrophobicContact CE-CD2 4.17Å; M109-L130 HydrophobicContact CG-CD2 4.46Å; M109-L130 HydrophobicContact SD-CD2 4.16Å; F115-L130 HydrophobicContact CD1-CB 4Å; F115-L130 HydrophobicContact CD1-CD2 4.15Å; F115-L130 HydrophobicContact CE1-CB 3.7Å; F115-L130 HydrophobicContact CE1-CD2 3.56Å; F115-L130 HydrophobicContact CE1-CG 4.24Å; F115-L130 HydrophobicContact CZ-CB 4.08Å; F115-L130 HydrophobicContact CZ-CD2 4.41Å; F115-L130 PolarHBondContact N-O 3.28Å; F115-L130 CarbonylContact O-C 3.24Å; F115-L130 PolarHBondContact O-N 2.94Å; L130-V143 HydrophobicContact CD1-CG1 3.86Å; L130-V145 HydrophobicContact CD1-CG2 3.66Å
131	S	97.5	Very high	96.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.7	173.3	172.8	0	0	0	0	111.7	D114 T133 F134 H135	D114-S131 VanDerWaalsContact OD1-C 3.26Å; D114-S131 WeakPolarHBondContact OD1-CA 3.31Å; D114-S131 VanDerWaalsContact OD1-CB 3.25Å; D114-S131 WeakPolarHBondContact OD1-CB 3.45Å; D114-S131 PolarHBondContact OD1-OG 3.17Å; S131-T133 VanDerWaalsContact C-N 3.3Å; S131-T133 WeakPolarHBondContact OG-CB 3.49Å; S131-T133 PolarHBondContact OG-N 3.42Å; S131-T133 VanDerWaalsContact OG-N 3.14Å; S131-F134 PolarHBondContact OG-N 2.82Å; S131-H135 PolarHBondContact O-ND1 2.91Å
132	R	96.9	Very high	96.3	Very high	27 Å²	27	43 Å²	43	10%	0.102	23%	0.232	C	C	.	.	H	α-helix	trans	-69.4	-29.7	164.6	-79.4	-175.2	52.4	154.6	5	112.3	F16 L19 H20 M109 K113 D114 F134 H135 E136	F16-R132 HydrophobicContact CD2-CG 4.27Å; F16-R132 HydrophobicContact CE2-CB 3.92Å; F16-R132 HydrophobicContact CE2-CG 3.8Å; L19-R132 HydrophobicContact CD1-CG 4.15Å; H20-R132 VanDerWaalsContact CB-NH1 3.28Å; M109-R132 HydrophobicContact SD-CG 3.94Å; K113-R132 HydrophobicContact CG-CB 3.83Å; K113-R132 WeakPolarHBondContact O-CB 3.31Å; K113-R132 WeakPolarHBondContact O-CG 3.27Å; D114-R132 PolarHBondContact OD1-N 3.49Å; R132-F134 VanDerWaalsContact C-N 3.34Å; R132-F134 PolarHBondContact O-N 2.94Å; R132-H135 PolarHBondContact O-N 3.05Å; R132-H135 VanDerWaalsContact O-N 3.16Å; R132-E136 IonicContact CZ-OE1 2.74Å; R132-E136 VanDerWaalsContact CZ-OE1 3.31Å; R132-E136 IonicContact NE-OE1 2.72Å; R132-E136 PolarHBondContact NE-OE1 2.94Å; R132-E136 IonicContact NH2-OE1 3.06Å; R132-E136 PolarHBondContact NH2-OE1 3Å; R132-E136 WeakPolarHBondContact O-CB 3.08Å; R132-E136 WeakPolarHBondContact O-CG 3.35Å; R132-E136 PolarHBondContact O-N 2.8Å
133	T	97.1	Very high	96.4	Very high	16 Å²	16	39 Å²	39	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-44.3	177.4	-61.8	0	0	0	0	111.6	K113 D114 S131 H135 E136 E137 Y175	K113-T133 WeakPolarHBondContact CD-OG1 3.5Å; K113-T133 WeakPolarHBondContact CE-OG1 3.44Å; K113-T133 PolarHBondContact NZ-OG1 2.83Å; D114-T133 WeakPolarHBondContact OD1-CB 3.22Å; D114-T133 PolarHBondContact OD1-N 2.94Å; D114-T133 PolarHBondContact OD1-OG1 2.84Å; D114-T133 PolarHBondContact OD2-OG1 2.89Å; S131-T133 VanDerWaalsContact C-N 3.3Å; S131-T133 WeakPolarHBondContact OG-CB 3.49Å; S131-T133 PolarHBondContact OG-N 3.42Å; S131-T133 VanDerWaalsContact OG-N 3.14Å; T133-H135 PolarHBondContact O-N 3.17Å; T133-E136 PolarHBondContact O-N 2.7Å; T133-E137 WeakPolarHBondContact CG2-OE1 3.15Å; T133-E137 WeakPolarHBondContact O-CB 3.5Å; T133-E137 WeakPolarHBondContact O-CG 3.34Å; T133-E137 PolarHBondContact O-N 3.11Å; T133-Y175 HydrophobicContact CG2-CD1 4.45Å
134	F	97.4	Very high	96.5	Very high	11 Å²	11	40.3 Å²	40.3	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-53.3	-49.3	169.1	160.4	-130.4	0	0	0	112.9	S131 R132 E137 E138 L140 I144 L171 Y175	S131-F134 PolarHBondContact OG-N 2.82Å; R132-F134 VanDerWaalsContact C-N 3.34Å; R132-F134 PolarHBondContact O-N 2.94Å; F134-E137 PolarHBondContact O-N 2.98Å; F134-E138 HydrophobicContact CD2-CB 4.43Å; F134-E138 HydrophobicContact CD2-CG 3.83Å; F134-E138 HydrophobicContact CE2-CB 4.34Å; F134-E138 HydrophobicContact CE2-CG 3.9Å; F134-E138 WeakPolarHBondContact O-CB 3.41Å; F134-E138 PolarHBondContact O-N 3.16Å; F134-L140 HydrophobicContact CD2-CD1 4.31Å; F134-L140 HydrophobicContact CE1-CD1 3.87Å; F134-L140 HydrophobicContact CE2-CD1 3.63Å; F134-L140 HydrophobicContact CZ-CD1 3.38Å; F134-I144 HydrophobicContact CE1-CB 4.07Å; F134-I144 HydrophobicContact CE1-CG2 4.1Å; F134-I144 HydrophobicContact CZ-CB 4.49Å; F134-I144 HydrophobicContact CZ-CG2 4.33Å; F134-L171 HydrophobicContact CD2-CD2 3.86Å; F134-L171 HydrophobicContact CE1-CD1 4.31Å; F134-L171 HydrophobicContact CE2-CD1 4.1Å; F134-L171 HydrophobicContact CE2-CD2 3.44Å; F134-L171 VanDerWaalsContact CE2-CD2 3.44Å; F134-L171 HydrophobicContact CE2-CG 4.4Å; F134-L171 HydrophobicContact CZ-CD1 3.75Å; F134-L171 HydrophobicContact CZ-CD2 3.99Å; F134-Y175 HydrophobicContact CB-CD1 4.2Å; F134-Y175 HydrophobicContact CB-CD2 3.79Å; F134-Y175 HydrophobicContact CB-CE2 4.15Å; F134-Y175 HydrophobicContact CB-CG 3.82Å; F134-Y175 AromaticContact CD2-CD2 3.86Å; F134-Y175 HydrophobicContact CD2-CD2 3.86Å; F134-Y175 AromaticContact CD2-CE2 3.58Å; F134-Y175 HydrophobicContact CD2-CE2 3.58Å; F134-Y175 HydrophobicContact CE2-CE2 4.47Å; F134-Y175 HydrophobicContact CG-CD2 4.12Å; F134-Y175 HydrophobicContact CG-CE2 4.26Å
135	H	97.4	Very high	96.5	Very high	2 Å²	2	40 Å²	40	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-40.1	-179.2	-66.9	73	0	0	0	112.9	F16 S131 R132 T133 G139 L140 E142 V143 I144	F16-H135 HydrophobicContact CB-CB 4.5Å; F16-H135 HydrophobicContact CD2-CB 3.5Å; F16-H135 HydrophobicContact CE2-CB 4Å; F16-H135 HydrophobicContact CG-CB 4.13Å; S131-H135 PolarHBondContact O-ND1 2.91Å; R132-H135 PolarHBondContact O-N 3.05Å; R132-H135 VanDerWaalsContact O-N 3.16Å; T133-H135 PolarHBondContact O-N 3.17Å; H135-G139 WeakPolarHBondContact O-CA 3.36Å; H135-G139 PolarHBondContact O-N 2.93Å; H135-L140 HydrophobicContact CB-CB 4.25Å; H135-L140 PolarHBondContact O-N 2.84Å; H135-E142 PolarHBondContact CD2-O 2.83Å; H135-E142 PolarHBondContact NE2-O 2.73Å; H135-V143 WeakPolarHBondContact NE2-CA 3.25Å; H135-I144 PolarHBondContact CE1-O 2.76Å; H135-I144 PolarHBondContact NE2-N 2.82Å; H135-I144 PolarHBondContact NE2-O 3.02Å
136	E	96.4	Very high	96.5	Very high	81 Å²	81	40 Å²	40	38%	0.379	22%	0.216	S	C	.	.	H	α-helix	trans	-71.3	-32.7	-179.8	-71.4	168.9	-152.5	0	0	112.4	F16 K113 R132 T133	F16-E136 HydrophobicContact CE1-CG 4.25Å; F16-E136 HydrophobicContact CE2-CG 3.66Å; F16-E136 HydrophobicContact CZ-CG 3.33Å; F16-E136 WeakPolarHBondContact CZ-OE1 3.33Å; K113-E136 VanDerWaalsContact CE-OE1 3.28Å; K113-E136 WeakPolarHBondContact CE-OE1 3.43Å; K113-E136 WeakPolarHBondContact CE-OE2 3.36Å; K113-E136 IonicContact NZ-OE1 2.74Å; K113-E136 IonicContact NZ-OE2 2.65Å; K113-E136 PolarHBondContact NZ-OE2 3.38Å; R132-E136 IonicContact CZ-OE1 2.74Å; R132-E136 VanDerWaalsContact CZ-OE1 3.31Å; R132-E136 IonicContact NE-OE1 2.72Å; R132-E136 PolarHBondContact NE-OE1 2.94Å; R132-E136 IonicContact NH2-OE1 3.06Å; R132-E136 PolarHBondContact NH2-OE1 3Å; R132-E136 WeakPolarHBondContact O-CB 3.08Å; R132-E136 WeakPolarHBondContact O-CG 3.35Å; R132-E136 PolarHBondContact O-N 2.8Å; T133-E136 PolarHBondContact O-N 2.7Å
137	E	97.3	Very high	96.5	Very high	128 Å²	128	41 Å²	41	60%	0.598	22%	0.221	S	C	*	.	H	α-helix	trans	-81.3	-38	177.8	-74	-177	-139.4	0	0	113.4	T133 F134 Y175	T133-E137 WeakPolarHBondContact CG2-OE1 3.15Å; T133-E137 WeakPolarHBondContact O-CB 3.5Å; T133-E137 WeakPolarHBondContact O-CG 3.34Å; T133-E137 PolarHBondContact O-N 3.11Å; F134-E137 PolarHBondContact O-N 2.98Å; E137-Y175 HydrophobicContact CB-CE1 4.14Å; E137-Y175 HydrophobicContact CG-CE1 4.48Å; E137-Y175 WeakPolarHBondContact OE2-CE1 3.19Å
138	E	96.3	Very high	96.4	Very high	93 Å²	93	41.2 Å²	41.2	44%	0.435	22%	0.222	S	C	.	.	H	α-helix	trans	-90.4	-0.4	178.5	-59.8	-72.7	-172.1	0	0	113.1	F134 L140 K174 Y175	F134-E138 HydrophobicContact CD2-CB 4.43Å; F134-E138 HydrophobicContact CD2-CG 3.83Å; F134-E138 HydrophobicContact CE2-CB 4.34Å; F134-E138 HydrophobicContact CE2-CG 3.9Å; F134-E138 WeakPolarHBondContact O-CB 3.41Å; F134-E138 PolarHBondContact O-N 3.16Å; E138-L140 HydrophobicContact CB-CD1 4.15Å; E138-L140 HydrophobicContact CB-CG 4.01Å; E138-K174 IonicContact OE1-NZ 2.6Å; E138-K174 PolarHBondContact OE1-NZ 2.81Å; E138-Y175 HydrophobicContact CG-CE2 4.43Å; E138-Y175 WeakPolarHBondContact CG-OH 3.4Å; E138-Y175 PolarHBondContact OE1-OH 3.42Å; E138-Y175 VanDerWaalsContact OE1-OH 3.05Å
139	G	95.3	Very high	96.4	Very high	69 Å²	69	41.6 Å²	41.6	71%	0.711	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	33.4	174.6	0	0	0	0	0	115.1	H135	H135-G139 WeakPolarHBondContact O-CA 3.36Å; H135-G139 PolarHBondContact O-N 2.93Å
140	L	94.8	Very high	96.3	Very high	47 Å²	47	41.6 Å²	41.6	25%	0.246	23%	0.225	C	C	.	.			trans	-90.1	121.2	-171.7	-58.4	173.5	0	0	0	112.7	F16 F134 H135 E138 I144	F16-L140 WeakPolarHBondContact CB-O 3.34Å; F134-L140 HydrophobicContact CD2-CD1 4.31Å; F134-L140 HydrophobicContact CE1-CD1 3.87Å; F134-L140 HydrophobicContact CE2-CD1 3.63Å; F134-L140 HydrophobicContact CZ-CD1 3.38Å; H135-L140 HydrophobicContact CB-CB 4.25Å; H135-L140 PolarHBondContact O-N 2.84Å; E138-L140 HydrophobicContact CB-CD1 4.15Å; E138-L140 HydrophobicContact CB-CG 4.01Å; L140-I144 HydrophobicContact CD1-CD1 4.18Å
141	D	91.4	Very high	96.2	Very high	102 Å²	102	42.7 Å²	42.7	55%	0.545	23%	0.231	S	C	.	.			trans	-86.1	-26.1	172.5	-170.4	42.9	0	0	0	113	T15 F16	T15-D141 CarbonylContact C-O 3.56Å; T15-D141 WeakPolarHBondContact CA-O 3.3Å; T15-D141 WeakPolarHBondContact CB-OD1 3.46Å; F16-D141 PolarHBondContact N-O 2.86Å
142	E	92.6	Very high	96	Very high	114 Å²	114	44.5 Å²	44.5	53%	0.533	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-85.1	144.9	174.2	-63.2	-161.2	165.4	0	0	112	Q13 H135 I144	Q13-E142 PolarHBondContact NE2-OE1 3.46Å; H135-E142 PolarHBondContact CD2-O 2.83Å; H135-E142 PolarHBondContact NE2-O 2.73Å; E142-I144 PolarHBondContact O-N 3.11Å
143	V	94.6	Very high	95.7	Very high	39 Å²	39	51.2 Å²	51.2	24%	0.236	27%	0.27	C	S	.	.			trans	-79.7	99.1	178.5	-177.5	0	0	0	0	111.4	L14 L19 L130 H135 V145	L14-V143 HydrophobicContact CB-CG2 4.39Å; L19-V143 HydrophobicContact CD1-CG1 4.24Å; L19-V143 HydrophobicContact CD1-CG2 4.22Å; L19-V143 HydrophobicContact CD2-CG1 4.42Å; L19-V143 HydrophobicContact CD2-CG2 4.38Å; L19-V143 HydrophobicContact CG-CG2 4.16Å; L130-V143 HydrophobicContact CD1-CG1 3.86Å; H135-V143 WeakPolarHBondContact NE2-CA 3.25Å; V143-V145 HydrophobicContact CG1-CG2 4.07Å
144	I	95.4	Very high	95.5	Very high	78 Å²	78	54.2 Å²	54.2	40%	0.4	29%	0.289	S	S	.	.			trans	-97.6	133.9	176.7	-58.9	-175.7	0	0	0	110	F134 H135 L140 E142	F134-I144 HydrophobicContact CE1-CB 4.07Å; F134-I144 HydrophobicContact CE1-CG2 4.1Å; F134-I144 HydrophobicContact CZ-CB 4.49Å; F134-I144 HydrophobicContact CZ-CG2 4.33Å; H135-I144 PolarHBondContact CE1-O 2.76Å; H135-I144 PolarHBondContact NE2-N 2.82Å; H135-I144 PolarHBondContact NE2-O 3.02Å; L140-I144 HydrophobicContact CD1-CD1 4.18Å; E142-I144 PolarHBondContact O-N 3.11Å
145	V	97.2	Very high	95.3	Very high	19 Å²	19	57.3 Å²	57.3	12%	0.115	30%	0.302	C	S	.	.			trans	-135.6	108.1	-175.5	-171.3	0	0	0	0	110.2	I82 L128 F129 L130 V143 L147	I82-V145 HydrophobicContact CD1-CB 4.45Å; I82-V145 HydrophobicContact CG2-CB 4.07Å; I82-V145 HydrophobicContact CG2-CG1 3.83Å; I82-V145 HydrophobicContact CG2-CG2 3.87Å; L128-V145 HydrophobicContact CD2-CG1 3.69Å; L128-V145 HydrophobicContact CG-CG1 4.03Å; F129-V145 VanDerWaalsContact O-CG1 3.22Å; F129-V145 WeakPolarHBondContact O-CG1 3.27Å; L130-V145 HydrophobicContact CD1-CG2 3.66Å; V143-V145 HydrophobicContact CG1-CG2 4.07Å; V145-L147 PolarHBondContact O-N 3.28Å
146	P	97.7	Very high	95.1	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.019	33%	0.33	C	S	.	.			trans	-58.3	129.9	169.4	-28.1	37.3	0	0	0	112.3	F129 P148 E168 L171 I172	F129-P146 HydrophobicContact CB-CB 4.32Å; F129-P146 HydrophobicContact CD1-CG 4.26Å; F129-P146 PolarHBondContact N-O 3.38Å; F129-P146 WeakPolarHBondContact O-CD 3.44Å; P146-P148 VanDerWaalsContact C-CD 3.5Å; P146-E168 HydrophobicContact CB-CB 3.91Å; P146-E168 HydrophobicContact CB-CG 3.96Å; P146-L171 HydrophobicContact CG-CB 4.02Å; P146-L171 HydrophobicContact CG-CD1 3.99Å; P146-I172 HydrophobicContact CB-CD1 4.17Å; P146-I172 HydrophobicContact CB-CG1 4.21Å
147	L	97.6	Very high	95	Very high	23 Å²	23	62.1 Å²	62.1	12%	0.12	33%	0.33	C	S	.	.			trans	-134.6	52.8	-176.5	-100.6	164.8	0	0	0	113.2	A78 T79 I82 T126 C127 L128 V145 E168	A78-L147 HydrophobicContact CB-CD2 3.83Å; T79-L147 HydrophobicContact CG2-CD1 4.47Å; I82-L147 HydrophobicContact CD1-CD1 3.95Å; I82-L147 HydrophobicContact CG1-CD1 4.42Å; T126-L147 HydrophobicContact CG2-CD2 3.98Å; C127-L147 CarbonylContact O-C 3.47Å; C127-L147 WeakPolarHBondContact O-CA 3.33Å; L128-L147 HydrophobicContact CB-CD2 3.68Å; L128-L147 HydrophobicContact CB-CG 4.28Å; L128-L147 HydrophobicContact CD1-CD2 4.16Å; L128-L147 HydrophobicContact CG-CD1 4.47Å; L128-L147 HydrophobicContact CG-CD2 3.85Å; L128-L147 HydrophobicContact CG-CG 4.08Å; V145-L147 PolarHBondContact O-N 3.28Å; L147-E168 PolarHBondContact N-OE1 2.98Å
148	P	97.5	Very high	94.9	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.019	32%	0.321	C	S	.	.			trans	-70.8	151.7	177.2	31	-34.6	0	0	0	112.3	C127 P146 W150 Y165 E168 T169 I172	C127-P148 HydrophobicContact CB-CG 4.29Å; C127-P148 PolarHBondContact N-O 2.98Å; C127-P148 WeakPolarHBondContact O-CD 3.49Å; P146-P148 VanDerWaalsContact C-CD 3.5Å; P148-W150 HydrophobicContact CB-CH2 3.7Å; P148-W150 HydrophobicContact CB-CZ2 4.26Å; P148-W150 HydrophobicContact CB-CZ3 3.99Å; P148-W150 HydrophobicContact CG-CH2 3.53Å; P148-W150 HydrophobicContact CG-CZ2 4.42Å; P148-W150 HydrophobicContact CG-CZ3 3.92Å; P148-W150 WeakPolarHBondContact O-CZ3 3.41Å; P148-Y165 HydrophobicContact CB-CD2 3.8Å; P148-Y165 HydrophobicContact CB-CE2 3.84Å; P148-E168 HydrophobicContact CB-CB 4.46Å; P148-E168 HydrophobicContact CG-CB 4.42Å; P148-T169 HydrophobicContact CB-CG2 4.07Å; P148-T169 HydrophobicContact CG-CG2 4.17Å; P148-I172 HydrophobicContact CG-CD1 3.58Å
149	S	97	Very high	94.6	Very high	10 Å²	10	57.8 Å²	57.8	7%	0.07	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.8	-179.3	-56.8	0	0	0	0	111.1	L125 L158	L125-S149 CarbonylContact O-C 3.52Å; L125-S149 VanDerWaalsContact O-CA 3.23Å; L125-S149 WeakPolarHBondContact O-CA 3.32Å; S149-L158 PolarHBondContact O-N 3.06Å
150	W	96.9	Very high	94.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.6	-179.5	-60.7	-103.7	0	0	0	111.6	L125 C127 P148 E156 L158 Y165 T169 E181 L184 M185 F188	L125-W150 HydrophobicContact CB-CB 4.4Å; L125-W150 PolarHBondContact N-O 2.78Å; L125-W150 PolarHBondContact O-N 3.19Å; C127-W150 HydrophobicContact CB-CH2 4.18Å; C127-W150 HydrophobicContact CB-CZ3 3.73Å; P148-W150 HydrophobicContact CB-CH2 3.7Å; P148-W150 HydrophobicContact CB-CZ2 4.26Å; P148-W150 HydrophobicContact CB-CZ3 3.99Å; P148-W150 HydrophobicContact CG-CH2 3.53Å; P148-W150 HydrophobicContact CG-CZ2 4.42Å; P148-W150 HydrophobicContact CG-CZ3 3.92Å; P148-W150 WeakPolarHBondContact O-CZ3 3.41Å; W150-E156 CarbonylContact C-O 3.57Å; W150-E156 VanDerWaalsContact CA-O 3.25Å; W150-E156 WeakPolarHBondContact CA-O 3.36Å; W150-L158 WeakPolarHBondContact O-CD1 3.26Å; W150-Y165 AromaticContact CE2-CE2 3.99Å; W150-Y165 AromaticContact CZ2-CE2 3.98Å; W150-Y165 HydrophobicContact CZ2-CE2 3.98Å; W150-Y165 AromaticContact NE1-CZ 3.92Å; W150-Y165 PolarHBondContact NE1-OH 3.37Å; W150-T169 HydrophobicContact CH2-CG2 4.31Å; W150-T169 HydrophobicContact CZ2-CG2 3.9Å; W150-E181 PolarHBondContact NE1-OE1 3.1Å; W150-L184 HydrophobicContact CH2-CD2 3.43Å; W150-L184 VanDerWaalsContact CH2-CD2 3.43Å; W150-L184 HydrophobicContact CZ2-CD2 3.79Å; W150-L184 HydrophobicContact CZ3-CD2 4.28Å; W150-M185 HydrophobicContact CB-CE 4.26Å; W150-M185 VanDerWaalsContact CD1-CE 3.45Å; W150-M185 HydrophobicContact CD2-CE 3.84Å; W150-M185 HydrophobicContact CG-CE 3.63Å; W150-F188 HydrophobicContact CE3-CE2 4.03Å; W150-F188 HydrophobicContact CE3-CZ 4.19Å; W150-F188 AromaticContact CZ3-CE2 3.98Å; W150-F188 HydrophobicContact CZ3-CE2 3.98Å; W150-F188 HydrophobicContact CZ3-CZ 4.11Å
151	D	96.2	Very high	94.3	Very high	30 Å²	30	61.7 Å²	61.7	16%	0.16	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	139	168.6	-171	-90.2	0	0	0	111.2	N123 K153 T154 K155 E156 L158	N123-D151 PolarHBondContact ND2-OD1 2.93Å; N123-D151 VanDerWaalsContact ND2-OD1 3.11Å; N123-D151 PolarHBondContact ND2-OD2 3.41Å; D151-K153 VanDerWaalsContact C-N 3.33Å; D151-K153 PolarHBondContact O-N 2.91Å; D151-K153 WeakPolarHBondContact OD1-CA 3.37Å; D151-K153 WeakPolarHBondContact OD1-CB 3.17Å; D151-K153 PolarHBondContact OD1-N 2.82Å; D151-T154 PolarHBondContact OD1-N 3.48Å; D151-K155 VanDerWaalsContact O-CA 3.31Å; D151-K155 WeakPolarHBondContact O-CA 3.42Å; D151-K155 PolarHBondContact O-N 3.43Å; D151-K155 VanDerWaalsContact O-N 3.17Å; D151-E156 PolarHBondContact N-O 2.97Å; D151-L158 HydrophobicContact CB-CD2 4.38Å
152	L	92.7	Very high	94.4	Very high	39 Å²	39	61.3 Å²	61.3	20%	0.204	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-33.2	-178.9	176.4	61	0	0	0	112.8	K120 D122 N123 L125 K155	K120-L152 HydrophobicContact CD-CD1 4.41Å; K120-L152 HydrophobicContact CG-CD1 4.43Å; D122-L152 WeakPolarHBondContact O-CD2 3.3Å; N123-L152 VanDerWaalsContact C-CB 3.47Å; N123-L152 VanDerWaalsContact O-CB 3.31Å; N123-L152 WeakPolarHBondContact O-CB 3.32Å; N123-L152 PolarHBondContact O-N 3.08Å; L125-L152 HydrophobicContact CD1-CD1 4.14Å; L125-L152 HydrophobicContact CD2-CD1 3.84Å; L125-L152 HydrophobicContact CG-CD1 4Å; L152-K155 WeakPolarHBondContact O-CE 3.31Å; L152-K155 PolarHBondContact O-NZ 2.84Å
153	K	91.2	Very high	94.5	Very high	168 Å²	168	63.2 Å²	63.2	73%	0.73	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-56.7	-175.5	-64.3	171.2	-179.9	170.9	0	111.5	N123 D151	N123-K153 WeakPolarHBondContact OD1-CD 3.48Å; N123-K153 WeakPolarHBondContact OD1-CE 3.38Å; D151-K153 VanDerWaalsContact C-N 3.33Å; D151-K153 PolarHBondContact O-N 2.91Å; D151-K153 WeakPolarHBondContact OD1-CA 3.37Å; D151-K153 WeakPolarHBondContact OD1-CB 3.17Å; D151-K153 PolarHBondContact OD1-N 2.82Å
154	T	93.6	Very high	94.5	Very high	80 Å²	80	65.7 Å²	65.7	49%	0.491	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.1	-174.6	73.6	0	0	0	0	113.1	D151 E156	D151-T154 PolarHBondContact OD1-N 3.48Å; T154-E156 VanDerWaalsContact CB-OE2 3.31Å; T154-E156 WeakPolarHBondContact CB-OE2 3.41Å; T154-E156 PolarHBondContact O-N 3.32Å; T154-E156 WeakPolarHBondContact OG1-CB 3.48Å; T154-E156 WeakPolarHBondContact OG1-CG 3.36Å; T154-E156 PolarHBondContact OG1-N 3.19Å; T154-E156 PolarHBondContact OG1-OE2 3.46Å
155	K	92.3	Very high	94.5	Very high	75 Å²	75	63.5 Å²	63.5	33%	0.326	34%	0.337	S	S	.	.			trans	61.3	18.8	-169.3	-48.3	-53.7	-171.2	-170.4	0	113.9	L125 D151 L152 M185	L125-K155 HydrophobicContact CD1-CD 4.31Å; D151-K155 VanDerWaalsContact O-CA 3.31Å; D151-K155 WeakPolarHBondContact O-CA 3.42Å; D151-K155 PolarHBondContact O-N 3.43Å; D151-K155 VanDerWaalsContact O-N 3.17Å; L152-K155 WeakPolarHBondContact O-CE 3.31Å; L152-K155 PolarHBondContact O-NZ 2.84Å; K155-M185 HydrophobicContact CB-CE 4.39Å; K155-M185 HydrophobicContact CD-SD 4.26Å
156	E	93.4	Very high	94.4	Very high	125 Å²	125	65 Å²	65	58%	0.584	35%	0.352	S	S	*	.			trans	-81.5	151.2	176.6	-66.5	170	129.5	0	0	111.7	W150 D151 T154 L158	W150-E156 CarbonylContact C-O 3.57Å; W150-E156 VanDerWaalsContact CA-O 3.25Å; W150-E156 WeakPolarHBondContact CA-O 3.36Å; D151-E156 PolarHBondContact N-O 2.97Å; T154-E156 VanDerWaalsContact CB-OE2 3.31Å; T154-E156 WeakPolarHBondContact CB-OE2 3.41Å; T154-E156 PolarHBondContact O-N 3.32Å; T154-E156 WeakPolarHBondContact OG1-CB 3.48Å; T154-E156 WeakPolarHBondContact OG1-CG 3.36Å; T154-E156 PolarHBondContact OG1-N 3.19Å; T154-E156 PolarHBondContact OG1-OE2 3.46Å; E156-L158 PolarHBondContact O-N 3.37Å
157	P	94.8	Very high	94.4	Very high	59 Å²	59	69.7 Å²	69.7	38%	0.383	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-66	126.2	-179.2	-23.3	35.8	0	0	0	113.5	T159 Y165	P157-T159 HydrophobicContact CB-CG2 4.31Å; P157-T159 PolarHBondContact O-N 3.42Å; P157-Y165 HydrophobicContact CB-CD1 4.11Å; P157-Y165 HydrophobicContact CB-CD2 3.94Å; P157-Y165 HydrophobicContact CB-CE1 3.9Å; P157-Y165 HydrophobicContact CB-CE2 3.7Å; P157-Y165 HydrophobicContact CB-CG 4.14Å; P157-Y165 HydrophobicContact CG-CD1 4.16Å; P157-Y165 HydrophobicContact CG-CE1 3.55Å; P157-Y165 HydrophobicContact CG-CE2 4.03Å; P157-Y165 VanDerWaalsContact CG-CZ 3.48Å
158	L	93.5	Very high	94.3	Very high	79 Å²	79	69.4 Å²	69.4	41%	0.414	37%	0.373	S	S	.	.			trans	-88.3	78.4	171.8	-64.7	177.6	0	0	0	109.6	T124 S149 W150 D151 E156	T124-L158 HydrophobicContact CG2-CD1 3.96Å; S149-L158 PolarHBondContact O-N 3.06Å; W150-L158 WeakPolarHBondContact O-CD1 3.26Å; D151-L158 HydrophobicContact CB-CD2 4.38Å; E156-L158 PolarHBondContact O-N 3.37Å
159	T	91.1	Very high	94.3	Very high	52 Å²	52	69.8 Å²	69.8	32%	0.319	38%	0.376	S	S	.	.			trans	-137.1	144.4	178.3	-169.7	0	0	0	0	112.6	P157 D161 Y165	P157-T159 HydrophobicContact CB-CG2 4.31Å; P157-T159 PolarHBondContact O-N 3.42Å; T159-D161 WeakPolarHBondContact CG2-O 3.23Å; T159-D161 PolarHBondContact OG1-N 3.12Å; T159-D161 PolarHBondContact OG1-O 2.69Å; T159-Y165 HydrophobicContact CG2-CG 4.25Å
160	S	89.3	Confident	94.3	Very high	129 Å²	129	75.7 Å²	75.7	90%	0.902	40%	0.402	S	S	*	.	S	Bend	trans	-88.9	-5.5	164.3	62.5	0	0	0	0	112.9
161	D	93.6	Very high	94.4	Very high	69 Å²	69	77 Å²	77	37%	0.369	41%	0.409	S	S	.	.			trans	-134.8	99.2	-175.7	-176.1	-20.1	0	0	0	109.4	T159 E163 K164 Y165	T159-D161 WeakPolarHBondContact CG2-O 3.23Å; T159-D161 PolarHBondContact OG1-N 3.12Å; T159-D161 PolarHBondContact OG1-O 2.69Å; D161-E163 PolarHBondContact OD1-N 3.48Å; D161-E163 VanDerWaalsContact OD1-N 3.1Å; D161-K164 HydrophobicContact CB-CB 3.88Å; D161-K164 WeakPolarHBondContact OD1-CB 3.48Å; D161-K164 PolarHBondContact OD1-N 2.94Å; D161-K164 WeakPolarHBondContact OD2-CB 3.19Å; D161-Y165 PolarHBondContact O-N 3.37Å
162	P	93.6	Very high	94.5	Very high	93 Å²	93	75.5 Å²	75.5	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-68.5	-29.9	179.5	-22.6	35	0	0	0	114	Y165 A166	P162-Y165 PolarHBondContact O-N 2.94Å; P162-A166 WeakPolarHBondContact O-CB 3.38Å; P162-A166 PolarHBondContact O-N 3.43Å
163	E	95.4	Very high	94.7	Very high	154 Å²	154	76 Å²	76	72%	0.72	40%	0.402	S	S	*	.	H	α-helix	trans	-71.3	-45.1	180	-66.6	-173.6	-175.8	0	0	110.2	D161 Y165 A166 I167	D161-E163 PolarHBondContact OD1-N 3.48Å; D161-E163 VanDerWaalsContact OD1-N 3.1Å; E163-Y165 PolarHBondContact O-N 3.17Å; E163-A166 PolarHBondContact O-N 2.76Å; E163-I167 WeakPolarHBondContact O-CG1 3.46Å; E163-I167 PolarHBondContact O-N 3.43Å
164	K	94.6	Very high	95	Very high	92 Å²	92	73.1 Å²	73.1	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-55.6	-49.1	170.9	176.7	-177.7	174.8	-72.5	0	111.5	D161 A166 I167 E168	D161-K164 HydrophobicContact CB-CB 3.88Å; D161-K164 WeakPolarHBondContact OD1-CB 3.48Å; D161-K164 PolarHBondContact OD1-N 2.94Å; D161-K164 WeakPolarHBondContact OD2-CB 3.19Å; K164-A166 VanDerWaalsContact C-N 3.35Å; K164-A166 PolarHBondContact O-N 2.87Å; K164-I167 PolarHBondContact O-N 3.29Å; K164-E168 WeakPolarHBondContact CE-OE1 3.49Å; K164-E168 HydrophobicContact CG-CG 4.3Å; K164-E168 IonicContact NZ-OE1 3.02Å; K164-E168 PolarHBondContact NZ-OE1 3.37Å; K164-E168 IonicContact NZ-OE2 3.42Å; K164-E168 PolarHBondContact NZ-OE2 2.84Å; K164-E168 WeakPolarHBondContact O-CB 3.48Å; K164-E168 VanDerWaalsContact O-CG 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.28Å; K164-E168 PolarHBondContact O-N 3.5Å
165	Y	94.8	Very high	95.3	Very high	32 Å²	32	70.3 Å²	70.3	13%	0.125	37%	0.369	C	S	.	.	H	α-helix	trans	-61.5	-41	-179.4	169.3	-93.8	0	0	0	112.6	P148 W150 P157 T159 D161 P162 E163 E168 T169 E181	P148-Y165 HydrophobicContact CB-CD2 3.8Å; P148-Y165 HydrophobicContact CB-CE2 3.84Å; W150-Y165 AromaticContact CE2-CE2 3.99Å; W150-Y165 AromaticContact CZ2-CE2 3.98Å; W150-Y165 HydrophobicContact CZ2-CE2 3.98Å; W150-Y165 AromaticContact NE1-CZ 3.92Å; W150-Y165 PolarHBondContact NE1-OH 3.37Å; P157-Y165 HydrophobicContact CB-CD1 4.11Å; P157-Y165 HydrophobicContact CB-CD2 3.94Å; P157-Y165 HydrophobicContact CB-CE1 3.9Å; P157-Y165 HydrophobicContact CB-CE2 3.7Å; P157-Y165 HydrophobicContact CB-CG 4.14Å; P157-Y165 HydrophobicContact CG-CD1 4.16Å; P157-Y165 HydrophobicContact CG-CE1 3.55Å; P157-Y165 HydrophobicContact CG-CE2 4.03Å; P157-Y165 VanDerWaalsContact CG-CZ 3.48Å; T159-Y165 HydrophobicContact CG2-CG 4.25Å; D161-Y165 PolarHBondContact O-N 3.37Å; P162-Y165 PolarHBondContact O-N 2.94Å; E163-Y165 PolarHBondContact O-N 3.17Å; Y165-E168 PolarHBondContact O-N 2.91Å; Y165-T169 HydrophobicContact CD2-CG2 4.18Å; Y165-T169 HydrophobicContact CE1-CG2 4.2Å; Y165-T169 HydrophobicContact CE2-CG2 3.6Å; Y165-T169 PolarHBondContact O-N 3.48Å; Y165-T169 PolarHBondContact O-OG1 3.05Å; Y165-E181 PolarHBondContact OH-OE1 3.41Å
166	A	95.6	Very high	95.5	Very high	51 Å²	51	66.8 Å²	66.8	42%	0.421	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-45.9	176	0	0	0	0	0	111.6	P162 E163 K164 T169 E170	P162-A166 WeakPolarHBondContact O-CB 3.38Å; P162-A166 PolarHBondContact O-N 3.43Å; E163-A166 PolarHBondContact O-N 2.76Å; K164-A166 VanDerWaalsContact C-N 3.35Å; K164-A166 PolarHBondContact O-N 2.87Å; A166-T169 PolarHBondContact O-N 3.27Å; A166-T169 PolarHBondContact O-OG1 2.95Å; A166-E170 VanDerWaalsContact O-CB 3.31Å; A166-E170 WeakPolarHBondContact O-CB 3.5Å; A166-E170 PolarHBondContact O-N 2.92Å
167	I	96.9	Very high	95.7	Very high	100 Å²	100	61.8 Å²	61.8	51%	0.513	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-44.4	176.7	-65.7	163.6	0	0	0	111	E163 K164 T169 E170 L171	E163-I167 WeakPolarHBondContact O-CG1 3.46Å; E163-I167 PolarHBondContact O-N 3.43Å; K164-I167 PolarHBondContact O-N 3.29Å; I167-T169 PolarHBondContact O-N 2.89Å; I167-E170 PolarHBondContact O-N 2.79Å; I167-L171 HydrophobicContact CG2-CD1 4.03Å; I167-L171 HydrophobicContact CG2-CG 4.4Å; I167-L171 WeakPolarHBondContact O-CB 3.1Å; I167-L171 VanDerWaalsContact O-CG 3.26Å; I167-L171 WeakPolarHBondContact O-CG 3.28Å; I167-L171 PolarHBondContact O-N 3.07Å
168	E	97.3	Very high	95.8	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-41.7	180	-77.4	-178.6	131.7	0	0	112.9	P146 L147 P148 K164 Y165 I172	P146-E168 HydrophobicContact CB-CB 3.91Å; P146-E168 HydrophobicContact CB-CG 3.96Å; L147-E168 PolarHBondContact N-OE1 2.98Å; P148-E168 HydrophobicContact CB-CB 4.46Å; P148-E168 HydrophobicContact CG-CB 4.42Å; K164-E168 WeakPolarHBondContact CE-OE1 3.49Å; K164-E168 HydrophobicContact CG-CG 4.3Å; K164-E168 IonicContact NZ-OE1 3.02Å; K164-E168 PolarHBondContact NZ-OE1 3.37Å; K164-E168 IonicContact NZ-OE2 3.42Å; K164-E168 PolarHBondContact NZ-OE2 2.84Å; K164-E168 WeakPolarHBondContact O-CB 3.48Å; K164-E168 VanDerWaalsContact O-CG 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.28Å; K164-E168 PolarHBondContact O-N 3.5Å; Y165-E168 PolarHBondContact O-N 2.91Å; E168-I172 WeakPolarHBondContact O-CD1 3.26Å; E168-I172 WeakPolarHBondContact O-CG1 3.24Å; E168-I172 PolarHBondContact O-N 2.88Å
169	T	96.4	Very high	96	Very high	11 Å²	11	60.6 Å²	60.6	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-74.6	-38.5	177.3	50	0	0	0	0	112.3	P148 W150 Y165 A166 I167 L171 I172 F173	P148-T169 HydrophobicContact CB-CG2 4.07Å; P148-T169 HydrophobicContact CG-CG2 4.17Å; W150-T169 HydrophobicContact CH2-CG2 4.31Å; W150-T169 HydrophobicContact CZ2-CG2 3.9Å; Y165-T169 HydrophobicContact CD2-CG2 4.18Å; Y165-T169 HydrophobicContact CE1-CG2 4.2Å; Y165-T169 HydrophobicContact CE2-CG2 3.6Å; Y165-T169 PolarHBondContact O-N 3.48Å; Y165-T169 PolarHBondContact O-OG1 3.05Å; A166-T169 PolarHBondContact O-N 3.27Å; A166-T169 PolarHBondContact O-OG1 2.95Å; I167-T169 PolarHBondContact O-N 2.89Å; T169-L171 VanDerWaalsContact C-N 3.35Å; T169-L171 PolarHBondContact O-N 2.58Å; T169-I172 PolarHBondContact O-N 2.92Å; T169-F173 WeakPolarHBondContact O-CD2 3.11Å; T169-F173 WeakPolarHBondContact O-CG 3.42Å; T169-F173 PolarHBondContact O-N 2.87Å
170	E	97.3	Very high	96.2	Very high	133 Å²	133	61.1 Å²	61.1	62%	0.621	32%	0.319	S	S	*	.	H	α-helix	trans	-59.8	-43.4	172.6	-174.6	176	-175.2	0	0	111.7	A166 I167 I172 F173 K174	A166-E170 VanDerWaalsContact O-CB 3.31Å; A166-E170 WeakPolarHBondContact O-CB 3.5Å; A166-E170 PolarHBondContact O-N 2.92Å; I167-E170 PolarHBondContact O-N 2.79Å; E170-I172 VanDerWaalsContact C-N 3.34Å; E170-I172 PolarHBondContact O-N 3.18Å; E170-F173 PolarHBondContact O-N 2.97Å; E170-K174 VanDerWaalsContact O-CB 3.26Å; E170-K174 WeakPolarHBondContact O-CB 3.48Å; E170-K174 PolarHBondContact O-N 2.83Å
171	L	98.1	Very high	96.4	Very high	27 Å²	27	58.6 Å²	58.6	14%	0.141	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-40.3	175.3	-74	174.8	0	0	0	112.4	F134 P146 I167 T169 Y175	F134-L171 HydrophobicContact CD2-CD2 3.86Å; F134-L171 HydrophobicContact CE1-CD1 4.31Å; F134-L171 HydrophobicContact CE2-CD1 4.1Å; F134-L171 HydrophobicContact CE2-CD2 3.44Å; F134-L171 VanDerWaalsContact CE2-CD2 3.44Å; F134-L171 HydrophobicContact CE2-CG 4.4Å; F134-L171 HydrophobicContact CZ-CD1 3.75Å; F134-L171 HydrophobicContact CZ-CD2 3.99Å; P146-L171 HydrophobicContact CG-CB 4.02Å; P146-L171 HydrophobicContact CG-CD1 3.99Å; I167-L171 HydrophobicContact CG2-CD1 4.03Å; I167-L171 HydrophobicContact CG2-CG 4.4Å; I167-L171 WeakPolarHBondContact O-CB 3.1Å; I167-L171 VanDerWaalsContact O-CG 3.26Å; I167-L171 WeakPolarHBondContact O-CG 3.28Å; I167-L171 PolarHBondContact O-N 3.07Å; T169-L171 VanDerWaalsContact C-N 3.35Å; T169-L171 PolarHBondContact O-N 2.58Å; L171-Y175 HydrophobicContact CD2-CD2 4.19Å; L171-Y175 HydrophobicContact CD2-CE2 4.07Å; L171-Y175 WeakPolarHBondContact O-CB 3Å; L171-Y175 PolarHBondContact O-N 2.84Å
172	I	98.3	Very high	96.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-46.4	173.9	-70.7	163.1	0	0	0	110.7	I116 F129 P146 P148 E168 T169 E170 K174 S176 L184	I116-I172 HydrophobicContact CD1-CG2 3.97Å; F129-I172 HydrophobicContact CB-CD1 4.29Å; F129-I172 HydrophobicContact CB-CG1 3.84Å; F129-I172 HydrophobicContact CD1-CB 4.29Å; F129-I172 HydrophobicContact CD1-CG1 3.51Å; F129-I172 HydrophobicContact CE1-CG1 4.33Å; F129-I172 HydrophobicContact CG-CG1 3.92Å; P146-I172 HydrophobicContact CB-CD1 4.17Å; P146-I172 HydrophobicContact CB-CG1 4.21Å; P148-I172 HydrophobicContact CG-CD1 3.58Å; E168-I172 WeakPolarHBondContact O-CD1 3.26Å; E168-I172 WeakPolarHBondContact O-CG1 3.24Å; E168-I172 PolarHBondContact O-N 2.88Å; T169-I172 PolarHBondContact O-N 2.92Å; E170-I172 VanDerWaalsContact C-N 3.34Å; E170-I172 PolarHBondContact O-N 3.18Å; I172-K174 VanDerWaalsContact C-N 3.35Å; I172-K174 PolarHBondContact O-N 2.83Å; I172-S176 WeakPolarHBondContact O-CA 3.25Å; I172-S176 WeakPolarHBondContact O-CB 3.24Å; I172-S176 PolarHBondContact O-N 3.36Å; I172-S176 PolarHBondContact O-OG 3.01Å; I172-L184 HydrophobicContact CG2-CD1 3.6Å
173	F	98.3	Very high	96.7	Very high	50 Å²	50	61 Å²	61	22%	0.219	29%	0.294	C	S	.	.	H	α-helix	trans	-69	-32.9	-179.5	-56	-31.4	0	0	0	112.5	T169 E170 F178 K179 E181 L184	T169-F173 WeakPolarHBondContact O-CD2 3.11Å; T169-F173 WeakPolarHBondContact O-CG 3.42Å; T169-F173 PolarHBondContact O-N 2.87Å; E170-F173 PolarHBondContact O-N 2.97Å; F173-F178 WeakPolarHBondContact CA-O 3.19Å; F173-K179 WeakPolarHBondContact O-CD 3.2Å; F173-E181 HydrophobicContact CZ-CB 3.91Å; F173-L184 HydrophobicContact CE1-CB 4.43Å; F173-L184 HydrophobicContact CE1-CD2 4.29Å
174	K	98	Very high	96.7	Very high	106 Å²	106	53.7 Å²	53.7	46%	0.461	26%	0.26	S	S	.	.	H	α-helix	trans	-67.8	-56.1	174.2	-172.7	175.1	175.3	-167.5	0	111.3	E138 E170 I172 K179	E138-K174 IonicContact OE1-NZ 2.6Å; E138-K174 PolarHBondContact OE1-NZ 2.81Å; E170-K174 VanDerWaalsContact O-CB 3.26Å; E170-K174 WeakPolarHBondContact O-CB 3.48Å; E170-K174 PolarHBondContact O-N 2.83Å; I172-K174 VanDerWaalsContact C-N 3.35Å; I172-K174 PolarHBondContact O-N 2.83Å; K174-K179 PolarHBondContact O-NZ 2.69Å
175	Y	98.1	Very high	96.7	Very high	21 Å²	21	50.4 Å²	50.4	8%	0.082	25%	0.246	C	C	.	.	H	α-helix	trans	-101.8	-21.4	-166.2	-69.3	-71.6	0	0	0	116.5	T133 F134 E137 E138 L171 Y202	T133-Y175 HydrophobicContact CG2-CD1 4.45Å; F134-Y175 HydrophobicContact CB-CD1 4.2Å; F134-Y175 HydrophobicContact CB-CD2 3.79Å; F134-Y175 HydrophobicContact CB-CE2 4.15Å; F134-Y175 HydrophobicContact CB-CG 3.82Å; F134-Y175 AromaticContact CD2-CD2 3.86Å; F134-Y175 HydrophobicContact CD2-CD2 3.86Å; F134-Y175 AromaticContact CD2-CE2 3.58Å; F134-Y175 HydrophobicContact CD2-CE2 3.58Å; F134-Y175 HydrophobicContact CE2-CE2 4.47Å; F134-Y175 HydrophobicContact CG-CD2 4.12Å; F134-Y175 HydrophobicContact CG-CE2 4.26Å; E137-Y175 HydrophobicContact CB-CE1 4.14Å; E137-Y175 HydrophobicContact CG-CE1 4.48Å; E137-Y175 WeakPolarHBondContact OE2-CE1 3.19Å; E138-Y175 HydrophobicContact CG-CE2 4.43Å; E138-Y175 WeakPolarHBondContact CG-OH 3.4Å; E138-Y175 PolarHBondContact OE1-OH 3.42Å; E138-Y175 VanDerWaalsContact OE1-OH 3.05Å; L171-Y175 HydrophobicContact CD2-CD2 4.19Å; L171-Y175 HydrophobicContact CD2-CE2 4.07Å; L171-Y175 WeakPolarHBondContact O-CB 3Å; L171-Y175 PolarHBondContact O-N 2.84Å; Y175-Y202 PolarHBondContact O-OH 3.27Å; Y175-Y202 VanDerWaalsContact O-OH 3.09Å
176	S	97.9	Very high	96.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	26%	0.262	C	S	.	.	S	Bend	trans	-81.4	168.8	178.1	91.4	0	0	0	0	112	I172 F178 K179	I172-S176 WeakPolarHBondContact O-CA 3.25Å; I172-S176 WeakPolarHBondContact O-CB 3.24Å; I172-S176 PolarHBondContact O-N 3.36Å; I172-S176 PolarHBondContact O-OG 3.01Å; S176-F178 PolarHBondContact O-N 2.96Å; S176-F178 PolarHBondContact OG-N 3.08Å; S176-F178 PolarHBondContact OG-O 3.26Å; S176-F178 VanDerWaalsContact OG-O 3.09Å; S176-K179 VanDerWaalsContact O-CE 3.29Å; S176-K179 WeakPolarHBondContact O-CE 3.42Å; S176-K179 PolarHBondContact O-NZ 3.21Å
177	P	97.1	Very high	97	Very high	20 Å²	20	51.5 Å²	51.5	13%	0.13	24%	0.243	C	C	.	.	S	Bend	trans	-66.3	-13.9	171.7	-20.4	35.5	0	0	0	113.7	L58 M63 Y202	L58-P177 HydrophobicContact CD1-CB 4.2Å; L58-P177 HydrophobicContact CD1-CG 3.99Å; M63-P177 HydrophobicContact CE-CB 4.5Å; M63-P177 HydrophobicContact SD-CB 3.6Å; M63-P177 VanDerWaalsContact SD-CB 3.6Å; M63-P177 HydrophobicContact SD-CG 3.51Å; M63-P177 VanDerWaalsContact SD-CG 3.51Å; P177-Y202 HydrophobicContact CG-CD1 3.94Å; P177-Y202 HydrophobicContact CG-CD2 3.92Å; P177-Y202 HydrophobicContact CG-CE1 3.98Å; P177-Y202 HydrophobicContact CG-CE2 3.95Å; P177-Y202 HydrophobicContact CG-CG 3.92Å
178	F	97.3	Very high	97	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	22%	0.22	C	C	.	.			trans	-106.3	109.6	-173.8	-47.4	-69.2	0	0	0	109	M63 I116 F118 F173 S176 Q183 L184 Q187	M63-F178 HydrophobicContact CE-CZ 4.49Å; I116-F178 HydrophobicContact CD1-CD2 4.36Å; I116-F178 HydrophobicContact CG2-CD2 4.39Å; I116-F178 HydrophobicContact CG2-CE2 3.84Å; F118-F178 HydrophobicContact CE2-CD2 4.49Å; F118-F178 AromaticContact CE2-CE2 3.97Å; F118-F178 HydrophobicContact CE2-CE2 3.97Å; F118-F178 AromaticContact CZ-CD2 3.89Å; F118-F178 HydrophobicContact CZ-CD2 3.89Å; F118-F178 AromaticContact CZ-CE2 3.83Å; F118-F178 HydrophobicContact CZ-CE2 3.83Å; F173-F178 WeakPolarHBondContact CA-O 3.19Å; S176-F178 PolarHBondContact O-N 2.96Å; S176-F178 PolarHBondContact OG-N 3.08Å; S176-F178 PolarHBondContact OG-O 3.26Å; S176-F178 VanDerWaalsContact OG-O 3.09Å; F178-Q183 HydrophobicContact CB-CB 4.08Å; F178-Q183 HydrophobicContact CD1-CB 4.39Å; F178-L184 HydrophobicContact CB-CD1 4.14Å; F178-Q187 HydrophobicContact CD1-CG 3.83Å; F178-Q187 HydrophobicContact CD2-CG 4.26Å; F178-Q187 HydrophobicContact CE1-CG 3.51Å; F178-Q187 HydrophobicContact CE2-CG 3.96Å; F178-Q187 HydrophobicContact CG-CG 4.21Å; F178-Q187 HydrophobicContact CZ-CG 3.58Å
179	K	96.3	Very high	96.9	Very high	109 Å²	109	51.2 Å²	51.2	47%	0.474	24%	0.243	S	C	.	.			trans	-95.3	6.7	-164.5	-58.4	-55.2	-170.8	-170.5	0	114.5	F173 K174 S176	F173-K179 WeakPolarHBondContact O-CD 3.2Å; K174-K179 PolarHBondContact O-NZ 2.69Å; S176-K179 VanDerWaalsContact O-CE 3.29Å; S176-K179 WeakPolarHBondContact O-CE 3.42Å; S176-K179 PolarHBondContact O-NZ 3.21Å
180	N	96.1	Very high	97	Very high	63 Å²	63	53 Å²	53	34%	0.337	25%	0.25	S	S	.	.	S	Bend	trans	-166.9	166.3	177.6	52.4	74	0	0	0	110.6	H182 Q183 L184	N180-H182 VanDerWaalsContact C-N 3.32Å; N180-H182 PolarHBondContact O-N 3.1Å; N180-H182 WeakPolarHBondContact OD1-CB 3.4Å; N180-H182 PolarHBondContact OD1-N 3.39Å; N180-Q183 PolarHBondContact O-N 3.35Å; N180-Q183 WeakPolarHBondContact OD1-CG 3.25Å; N180-Q183 PolarHBondContact OD1-N 3.15Å; N180-L184 PolarHBondContact O-N 2.84Å; N180-L184 VanDerWaalsContact O-N 3.14Å
181	E	94.6	Very high	97	Very high	77 Å²	77	46.9 Å²	46.9	36%	0.36	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-34.5	-177.8	-170.1	164.1	-135.3	0	0	113.4	W150 Y165 F173 L184 M185	W150-E181 PolarHBondContact NE1-OE1 3.1Å; Y165-E181 PolarHBondContact OH-OE1 3.41Å; F173-E181 HydrophobicContact CZ-CB 3.91Å; E181-L184 WeakPolarHBondContact O-CB 3.19Å; E181-L184 PolarHBondContact O-N 2.83Å; E181-M185 HydrophobicContact CG-CE 4.24Å; E181-M185 HydrophobicContact CG-CG 4.25Å; E181-M185 WeakPolarHBondContact O-CB 3.15Å; E181-M185 VanDerWaalsContact O-CG 3.28Å; E181-M185 WeakPolarHBondContact O-CG 3.42Å; E181-M185 PolarHBondContact O-N 3.09Å
182	H	95.3	Very high	96.8	Very high	145 Å²	145	54.5 Å²	54.5	67%	0.671	26%	0.256	S	S	*	.	H	α-helix	trans	-62	-47.4	175.9	-179.7	-66.6	0	0	0	111.8	N180 L184 M185 E186	N180-H182 VanDerWaalsContact C-N 3.32Å; N180-H182 PolarHBondContact O-N 3.1Å; N180-H182 WeakPolarHBondContact OD1-CB 3.4Å; N180-H182 PolarHBondContact OD1-N 3.39Å; H182-L184 PolarHBondContact O-N 2.81Å; H182-M185 PolarHBondContact O-N 2.88Å; H182-E186 WeakPolarHBondContact O-CB 3.47Å; H182-E186 PolarHBondContact O-N 3.35Å
183	Q	96.3	Very high	96.5	Very high	68 Å²	68	56.5 Å²	56.5	32%	0.318	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-28.4	176	-72.5	175.8	-3.5	0	0	112.6	F178 N180 Q187	F178-Q183 HydrophobicContact CB-CB 4.08Å; F178-Q183 HydrophobicContact CD1-CB 4.39Å; N180-Q183 PolarHBondContact O-N 3.35Å; N180-Q183 WeakPolarHBondContact OD1-CG 3.25Å; N180-Q183 PolarHBondContact OD1-N 3.15Å; Q183-Q187 WeakPolarHBondContact O-CG 3.36Å; Q183-Q187 PolarHBondContact O-NE2 3.4Å
184	L	95.9	Very high	96.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-72.2	-48.7	175.2	-156.1	77.5	0	0	0	111.4	I116 F118 W150 I172 F173 F178 N180 E181 H182 E186 Q187 F188	I116-L184 HydrophobicContact CD1-CD1 4.32Å; F118-L184 HydrophobicContact CE1-CD1 3.57Å; F118-L184 HydrophobicContact CE1-CG 3.87Å; F118-L184 HydrophobicContact CZ-CD1 3.98Å; W150-L184 HydrophobicContact CH2-CD2 3.43Å; W150-L184 VanDerWaalsContact CH2-CD2 3.43Å; W150-L184 HydrophobicContact CZ2-CD2 3.79Å; W150-L184 HydrophobicContact CZ3-CD2 4.28Å; I172-L184 HydrophobicContact CG2-CD1 3.6Å; F173-L184 HydrophobicContact CE1-CB 4.43Å; F173-L184 HydrophobicContact CE1-CD2 4.29Å; F178-L184 HydrophobicContact CB-CD1 4.14Å; N180-L184 PolarHBondContact O-N 2.84Å; N180-L184 VanDerWaalsContact O-N 3.14Å; E181-L184 WeakPolarHBondContact O-CB 3.19Å; E181-L184 PolarHBondContact O-N 2.83Å; H182-L184 PolarHBondContact O-N 2.81Å; L184-E186 VanDerWaalsContact C-N 3.28Å; L184-E186 PolarHBondContact O-N 3.24Å; L184-Q187 WeakPolarHBondContact O-CB 3.31Å; L184-Q187 PolarHBondContact O-N 2.98Å; L184-F188 PolarHBondContact O-N 3.2Å
185	M	96.1	Very high	96.3	Very high	22 Å²	22	55.1 Å²	55.1	11%	0.108	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-32.7	176.7	-69	-66.7	173.8	0	0	112.3	L125 W150 K155 E181 H182 Q187 F188 N189	L125-M185 HydrophobicContact CD1-SD 4.48Å; W150-M185 HydrophobicContact CB-CE 4.26Å; W150-M185 VanDerWaalsContact CD1-CE 3.45Å; W150-M185 HydrophobicContact CD2-CE 3.84Å; W150-M185 HydrophobicContact CG-CE 3.63Å; K155-M185 HydrophobicContact CB-CE 4.39Å; K155-M185 HydrophobicContact CD-SD 4.26Å; E181-M185 HydrophobicContact CG-CE 4.24Å; E181-M185 HydrophobicContact CG-CG 4.25Å; E181-M185 WeakPolarHBondContact O-CB 3.15Å; E181-M185 VanDerWaalsContact O-CG 3.28Å; E181-M185 WeakPolarHBondContact O-CG 3.42Å; E181-M185 PolarHBondContact O-N 3.09Å; H182-M185 PolarHBondContact O-N 2.88Å; M185-Q187 PolarHBondContact O-N 3.36Å; M185-F188 PolarHBondContact O-N 3.39Å; M185-F188 VanDerWaalsContact O-N 3.17Å; M185-F188 HydrophobicContact SD-CD2 4.02Å; M185-N189 PolarHBondContact O-N 3.23Å; M185-N189 PolarHBondContact O-ND2 2.96Å; M185-N189 PolarHBondContact O-OD1 3.46Å
186	E	96.9	Very high	96.3	Very high	101 Å²	101	54.1 Å²	54.1	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-30.6	170.2	-173.7	173.7	-148.7	0	0	112.7	H182 L184 K190	H182-E186 WeakPolarHBondContact O-CB 3.47Å; H182-E186 PolarHBondContact O-N 3.35Å; L184-E186 VanDerWaalsContact C-N 3.28Å; L184-E186 PolarHBondContact O-N 3.24Å; E186-K190 PolarHBondContact O-N 3.28Å
187	Q	97.8	Very high	96.4	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.028	28%	0.28	C	S	.	.	H	α-helix	trans	-77.5	-35.4	175	-49.6	-38.5	-67.2	0	0	112.3	F118 F178 Q183 L184 M185 N189 K190 L198	F118-Q187 HydrophobicContact CD1-CB 4.16Å; F118-Q187 HydrophobicContact CD2-CB 3.69Å; F118-Q187 HydrophobicContact CD2-CG 4.42Å; F118-Q187 HydrophobicContact CE1-CB 4.02Å; F118-Q187 HydrophobicContact CE1-CG 4.4Å; F118-Q187 HydrophobicContact CE2-CB 3.52Å; F118-Q187 HydrophobicContact CE2-CG 3.75Å; F118-Q187 HydrophobicContact CG-CB 4Å; F118-Q187 HydrophobicContact CZ-CB 3.7Å; F118-Q187 HydrophobicContact CZ-CG 3.74Å; F178-Q187 HydrophobicContact CD1-CG 3.83Å; F178-Q187 HydrophobicContact CD2-CG 4.26Å; F178-Q187 HydrophobicContact CE1-CG 3.51Å; F178-Q187 HydrophobicContact CE2-CG 3.96Å; F178-Q187 HydrophobicContact CG-CG 4.21Å; F178-Q187 HydrophobicContact CZ-CG 3.58Å; Q183-Q187 WeakPolarHBondContact O-CG 3.36Å; Q183-Q187 PolarHBondContact O-NE2 3.4Å; L184-Q187 WeakPolarHBondContact O-CB 3.31Å; L184-Q187 PolarHBondContact O-N 2.98Å; M185-Q187 PolarHBondContact O-N 3.36Å; Q187-N189 VanDerWaalsContact C-N 3.29Å; Q187-N189 PolarHBondContact O-N 3.18Å; Q187-K190 WeakPolarHBondContact O-CB 3.23Å; Q187-K190 PolarHBondContact O-N 3.13Å; Q187-L198 HydrophobicContact CB-CD2 4.21Å
188	F	97.6	Very high	96.4	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-35.3	169.9	-73.6	-64.9	0	0	0	111.9	F118 L125 T126 C127 W150 L184 M185 K190 I191	F118-F188 HydrophobicContact CB-CD1 3.84Å; F118-F188 HydrophobicContact CB-CE1 3.77Å; F118-F188 HydrophobicContact CB-CZ 4.45Å; F118-F188 HydrophobicContact CD1-CD1 4.33Å; F118-F188 HydrophobicContact CD1-CD2 4.3Å; F118-F188 HydrophobicContact CD1-CE1 4.06Å; F118-F188 HydrophobicContact CD1-CE2 4.03Å; F118-F188 HydrophobicContact CD1-CG 4.46Å; F118-F188 AromaticContact CD1-CZ 3.91Å; F118-F188 HydrophobicContact CD1-CZ 3.91Å; F118-F188 HydrophobicContact CG-CE1 4.43Å; L125-F188 HydrophobicContact CB-CD1 4.08Å; L125-F188 HydrophobicContact CB-CE1 3.82Å; L125-F188 HydrophobicContact CB-CE2 4.31Å; L125-F188 HydrophobicContact CB-CG 4.42Å; L125-F188 HydrophobicContact CB-CZ 3.94Å; L125-F188 HydrophobicContact CD1-CB 4.3Å; L125-F188 HydrophobicContact CD1-CD2 4.39Å; L125-F188 HydrophobicContact CD1-CG 4.19Å; L125-F188 HydrophobicContact CD2-CB 4.26Å; L125-F188 HydrophobicContact CD2-CD1 3.7Å; L125-F188 HydrophobicContact CD2-CE1 4.2Å; L125-F188 HydrophobicContact CD2-CG 4.1Å; L125-F188 HydrophobicContact CG-CD1 4.32Å; L125-F188 HydrophobicContact CG-CG 4.48Å; T126-F188 WeakPolarHBondContact O-CE1 3.47Å; C127-F188 HydrophobicContact CB-CZ 4.05Å; W150-F188 HydrophobicContact CE3-CE2 4.03Å; W150-F188 HydrophobicContact CE3-CZ 4.19Å; W150-F188 AromaticContact CZ3-CE2 3.98Å; W150-F188 HydrophobicContact CZ3-CE2 3.98Å; W150-F188 HydrophobicContact CZ3-CZ 4.11Å; L184-F188 PolarHBondContact O-N 3.2Å; M185-F188 PolarHBondContact O-N 3.39Å; M185-F188 VanDerWaalsContact O-N 3.17Å; M185-F188 HydrophobicContact SD-CD2 4.02Å; F188-K190 PolarHBondContact O-N 3.32Å; F188-I191 WeakPolarHBondContact O-CB 3.24Å; F188-I191 PolarHBondContact O-N 3.39Å
189	N	96.4	Very high	96.5	Very high	108 Å²	108	54 Å²	54	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-67.6	-17.4	176.8	-67.3	-18.4	0	0	0	113.5	M185 Q187 I191	M185-N189 PolarHBondContact O-N 3.23Å; M185-N189 PolarHBondContact O-ND2 2.96Å; M185-N189 PolarHBondContact O-OD1 3.46Å; Q187-N189 VanDerWaalsContact C-N 3.29Å; Q187-N189 PolarHBondContact O-N 3.18Å; N189-I191 PolarHBondContact O-N 2.82Å
190	K	97.6	Very high	96.6	Very high	50 Å²	50	48.9 Å²	48.9	22%	0.217	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.2	168.4	-67.1	172.8	170.1	176.8	0	112.5	E53 F65 L67 E186 Q187 F188 E192 L198	E53-K190 IonicContact OE2-NZ 3.94Å; E53-K190 PolarHBondContact OE2-NZ 3.17Å; F65-K190 VanDerWaalsContact CE1-NZ 3.29Å; L67-K190 WeakPolarHBondContact CD2-O 3.33Å; E186-K190 PolarHBondContact O-N 3.28Å; Q187-K190 WeakPolarHBondContact O-CB 3.23Å; Q187-K190 PolarHBondContact O-N 3.13Å; F188-K190 PolarHBondContact O-N 3.32Å; K190-E192 PolarHBondContact O-N 2.9Å; K190-L198 HydrophobicContact CB-CD2 4.24Å; K190-L198 HydrophobicContact CD-CD2 4.04Å
191	I	97.7	Very high	96.8	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	24%	0.237	C	C	.	.			trans	-92.3	81.9	173.4	-49.5	175.3	0	0	0	108.8	L67 K120 F188 N189 S193 L198	L67-I191 HydrophobicContact CD1-CG1 3.94Å; K120-I191 HydrophobicContact CB-CD1 4.24Å; K120-I191 HydrophobicContact CB-CG2 4.24Å; K120-I191 HydrophobicContact CD-CB 4.26Å; K120-I191 HydrophobicContact CD-CG2 3.92Å; K120-I191 PolarHBondContact NZ-O 3.33Å; F188-I191 WeakPolarHBondContact O-CB 3.24Å; F188-I191 PolarHBondContact O-N 3.39Å; N189-I191 PolarHBondContact O-N 2.82Å; I191-S193 VanDerWaalsContact C-N 3.34Å; I191-S193 PolarHBondContact O-N 2.88Å; I191-L198 HydrophobicContact CD1-CB 4.28Å; I191-L198 HydrophobicContact CG1-CB 4.29Å
192	E	93.9	Very high	97	Very high	187 Å²	187	42.2 Å²	42.2	87%	0.874	22%	0.22	S	C	*	.			trans	-62.3	-37.1	-176.8	-61.7	-178.2	172.2	0	0	113	K190	K190-E192 PolarHBondContact O-N 2.9Å
193	S	92.5	Very high	97.1	Very high	42 Å²	42	36.5 Å²	36.5	29%	0.294	19%	0.194	S	C	.	.	S	Bend	trans	-68.2	160.7	179.3	42.2	0	0	0	0	113.1	K120 I191 S195	K120-S193 WeakPolarHBondContact CD-O 3.32Å; K120-S193 VanDerWaalsContact CE-O 3.24Å; K120-S193 WeakPolarHBondContact CE-O 3.42Å; K120-S193 PolarHBondContact NZ-O 3.07Å; I191-S193 VanDerWaalsContact C-N 3.34Å; I191-S193 PolarHBondContact O-N 2.88Å; S193-S195 VanDerWaalsContact CB-O 3.29Å; S193-S195 WeakPolarHBondContact CB-O 3.43Å; S193-S195 PolarHBondContact O-N 3.23Å; S193-S195 PolarHBondContact OG-O 3.47Å
194	S	94	Very high	97.2	Very high	100 Å²	100	33.4 Å²	33.4	70%	0.699	18%	0.18	S	C	*	.	S	Bend	trans	-59.9	-32.9	177.7	47.2	0	0	0	0	113.4	K120	K120-S194 WeakPolarHBondContact CE-O 3.47Å; K120-S194 WeakPolarHBondContact CG-O 3.24Å
195	S	97.6	Very high	97.3	Very high	27 Å²	27	35.4 Å²	35.4	19%	0.189	19%	0.189	C	C	.	.	S	Bend	trans	-128	163.5	170.2	62.9	0	0	0	0	111.1	G70 K120 S193	G70-S195 CarbonylContact O-C 3.56Å; G70-S195 VanDerWaalsContact O-C 3.27Å; G70-S195 WeakPolarHBondContact O-CB 3.25Å; G70-S195 PolarHBondContact O-OG 2.76Å; K120-S195 CarbonylContact O-C 3.45Å; K120-S195 WeakPolarHBondContact O-CA 3.44Å; K120-S195 WeakPolarHBondContact O-CB 3.35Å; S193-S195 VanDerWaalsContact CB-O 3.29Å; S193-S195 WeakPolarHBondContact CB-O 3.43Å; S193-S195 PolarHBondContact O-N 3.23Å; S193-S195 PolarHBondContact OG-O 3.47Å
196	G	98.3	Very high	97.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162	178.3	172.9	0	0	0	0	0	113.8	D68 G70 T119 K120	D68-G196 WeakPolarHBondContact O-CA 3.49Å; G70-G196 WeakPolarHBondContact O-CA 3.49Å; G70-G196 PolarHBondContact O-N 2.92Å; T119-G196 WeakPolarHBondContact CA-O 3.44Å; T119-G196 PolarHBondContact OG1-O 3.06Å; T119-G196 VanDerWaalsContact OG1-O 3.08Å; K120-G196 PolarHBondContact N-O 3.31Å; K120-G196 PolarHBondContact O-N 2.96Å
197	T	98.8	Very high	97.2	Very high	13 Å²	13	35 Å²	35	8%	0.08	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.7	177.3	-51	0	0	0	0	111.4	L67 D68 M73 L117 F118 T119 V199	L67-T197 WeakPolarHBondContact CA-O 3.41Å; D68-T197 PolarHBondContact N-O 3.36Å; D68-T197 PolarHBondContact O-N 3.05Å; D68-T197 PolarHBondContact OD1-N 3.22Å; M73-T197 HydrophobicContact CE-CG2 4.3Å; L117-T197 HydrophobicContact CD1-CG2 4.12Å; L117-T197 HydrophobicContact CD2-CG2 4.15Å; L117-T197 HydrophobicContact CG-CG2 3.96Å; F118-T197 WeakPolarHBondContact O-CA 3.5Å; T119-T197 PolarHBondContact OG1-OG1 2.98Å; T197-V199 HydrophobicContact CG2-CG2 4.21Å
198	L	98.8	Very high	97.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.9	169.4	172.2	62.5	0	0	0	110	F65 F66 L67 L117 F118 Q187 K190 I191 V200	F65-L198 HydrophobicContact CB-CD1 4.14Å; F65-L198 HydrophobicContact CD1-CD1 3.66Å; F65-L198 HydrophobicContact CD1-CD2 4.22Å; F65-L198 HydrophobicContact CD1-CG 4.38Å; F65-L198 HydrophobicContact CE1-CD2 4.45Å; F65-L198 HydrophobicContact CG-CD1 4.39Å; F66-L198 CarbonylContact O-C 3.53Å; F66-L198 WeakPolarHBondContact O-CA 3.5Å; L67-L198 HydrophobicContact CB-CD1 3.83Å; L67-L198 HydrophobicContact CD1-CB 3.97Å; L67-L198 HydrophobicContact CD1-CD1 4.3Å; L117-L198 CarbonylContact C-O 3.58Å; L117-L198 WeakPolarHBondContact CA-O 3.43Å; F118-L198 HydrophobicContact CB-CB 4.33Å; F118-L198 HydrophobicContact CD2-CD2 4.06Å; F118-L198 HydrophobicContact CD2-CG 4.24Å; F118-L198 PolarHBondContact N-O 3.22Å; F118-L198 PolarHBondContact O-N 2.7Å; Q187-L198 HydrophobicContact CB-CD2 4.21Å; K190-L198 HydrophobicContact CB-CD2 4.24Å; K190-L198 HydrophobicContact CD-CD2 4.04Å; I191-L198 HydrophobicContact CD1-CB 4.28Å; I191-L198 HydrophobicContact CG1-CB 4.29Å; L198-V200 HydrophobicContact CD1-CG2 4.3Å; L198-V200 HydrophobicContact CD2-CG2 4.23Å; L198-V200 HydrophobicContact CG-CG2 4.01Å
199	V	98.8	Very high	97	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.8	171.7	-170.1	0	0	0	0	109.4	L36 F65 F66 L104 F115 L117 T197 V201	L36-V199 HydrophobicContact CD2-CB 4.17Å; L36-V199 HydrophobicContact CD2-CG1 3.9Å; F65-V199 CarbonylContact C-O 3.58Å; F65-V199 WeakPolarHBondContact CA-O 3.48Å; F66-V199 HydrophobicContact CB-CB 4.37Å; F66-V199 PolarHBondContact N-O 3Å; F66-V199 PolarHBondContact O-N 3.31Å; L104-V199 HydrophobicContact CD1-CG1 4.17Å; L104-V199 HydrophobicContact CD1-CG2 4.42Å; F115-V199 HydrophobicContact CD2-CG1 4.02Å; L117-V199 HydrophobicContact CD1-CG2 3.91Å; L117-V199 HydrophobicContact CG-CG2 4.15Å; T197-V199 HydrophobicContact CG2-CG2 4.21Å; V199-V201 HydrophobicContact CG1-CG2 4.24Å
200	V	98.8	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112	177	-167.9	0	0	0	0	108.9	M63 F65 F115 I116 F118 L198	M63-V200 HydrophobicContact CB-CG1 4.03Å; M63-V200 HydrophobicContact SD-CG1 4.18Å; F65-V200 HydrophobicContact CD1-CB 4.46Å; F65-V200 HydrophobicContact CD1-CG1 4.23Å; F65-V200 HydrophobicContact CD1-CG2 3.59Å; F65-V200 HydrophobicContact CD2-CG1 4.3Å; F65-V200 HydrophobicContact CE1-CB 4.37Å; F65-V200 HydrophobicContact CE1-CG1 3.91Å; F65-V200 HydrophobicContact CE1-CG2 3.52Å; F65-V200 HydrophobicContact CE2-CG1 3.99Å; F65-V200 HydrophobicContact CG-CG1 4.4Å; F65-V200 HydrophobicContact CG-CG2 4.35Å; F65-V200 HydrophobicContact CZ-CG1 3.8Å; F65-V200 HydrophobicContact CZ-CG2 4.26Å; F115-V200 VanDerWaalsContact CA-O 3.28Å; F115-V200 WeakPolarHBondContact CA-O 3.41Å; F115-V200 WeakPolarHBondContact CB-O 3.5Å; I116-V200 HydrophobicContact CG2-CB 3.93Å; I116-V200 HydrophobicContact CG2-CG2 4.49Å; I116-V200 PolarHBondContact N-O 3.48Å; I116-V200 PolarHBondContact O-N 3.3Å; F118-V200 HydrophobicContact CD2-CG2 4.34Å; F118-V200 HydrophobicContact CE2-CG2 4.03Å; L198-V200 HydrophobicContact CD1-CG2 4.3Å; L198-V200 HydrophobicContact CD2-CG2 4.23Å; L198-V200 HydrophobicContact CG-CG2 4.01Å
201	V	98.8	Very high	96.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.2	176.6	-174.2	0	0	0	0	109	L36 L64 F66 I111 F115 V199 L204	L36-V201 HydrophobicContact CD2-CG2 4.41Å; L64-V201 PolarHBondContact N-O 2.91Å; L64-V201 PolarHBondContact O-N 3.15Å; F66-V201 HydrophobicContact CE2-CG2 4.49Å; I111-V201 HydrophobicContact CB-CG1 4.05Å; I111-V201 HydrophobicContact CG2-CB 4.44Å; I111-V201 HydrophobicContact CG2-CG1 3.83Å; F115-V201 HydrophobicContact CB-CG2 4.06Å; V199-V201 HydrophobicContact CG1-CG2 4.24Å; V201-L204 HydrophobicContact CG1-CD2 4.39Å
202	Y	98.6	Very high	96.7	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	179.6	-175.7	71.2	-82.4	0	0	0	112.2	L58 G112 K113 D114 I116 F129 Y175 P177	L58-Y202 HydrophobicContact CD1-CD2 4.04Å; L58-Y202 HydrophobicContact CD1-CG 4.44Å; L58-Y202 HydrophobicContact CD2-CD2 4.29Å; G112-Y202 WeakPolarHBondContact CA-O 3.38Å; K113-Y202 PolarHBondContact N-O 3.31Å; D114-Y202 HydrophobicContact CB-CD1 4.1Å; D114-Y202 HydrophobicContact CB-CD2 4.19Å; D114-Y202 HydrophobicContact CB-CE1 3.55Å; D114-Y202 HydrophobicContact CB-CE2 3.68Å; D114-Y202 HydrophobicContact CB-CG 4.38Å; D114-Y202 PolarHBondContact N-O 2.91Å; D114-Y202 PolarHBondContact O-N 3.48Å; I116-Y202 HydrophobicContact CG2-CE1 4.49Å; F129-Y202 HydrophobicContact CE2-CE1 4.39Å; F129-Y202 VanDerWaalsContact CE2-OH 3.27Å; F129-Y202 WeakPolarHBondContact CE2-OH 3.44Å; Y175-Y202 PolarHBondContact O-OH 3.27Å; Y175-Y202 VanDerWaalsContact O-OH 3.09Å; P177-Y202 HydrophobicContact CG-CD1 3.94Å; P177-Y202 HydrophobicContact CG-CD2 3.92Å; P177-Y202 HydrophobicContact CG-CE1 3.98Å; P177-Y202 HydrophobicContact CG-CE2 3.95Å; P177-Y202 HydrophobicContact CG-CG 3.92Å
203	N	98.2	Very high	96.8	Very high	24 Å²	24	42.2 Å²	42.2	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.9	61.4	-168.2	-74.6	-29.5	0	0	0	111.1	R59 G112 K113 D114	R59-N203 HydrophobicContact CB-CB 4.14Å; R59-N203 PolarHBondContact N-OD1 3.17Å; R59-N203 CarbonylContact O-C 3.53Å; R59-N203 WeakPolarHBondContact O-CA 3.41Å; G112-N203 CarbonylContact C-O 3.22Å; K113-N203 HydrophobicContact CB-CB 3.84Å; K113-N203 WeakPolarHBondContact CB-O 3.34Å; K113-N203 PolarHBondContact N-O 3.29Å; D114-N203 PolarHBondContact OD2-ND2 2.84Å
204	L	98.3	Very high	97.1	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	153	-167.7	-57.3	-179.1	0	0	0	112.5	R59 F62 I111 V201	R59-L204 WeakPolarHBondContact CD-O 3.31Å; R59-L204 WeakPolarHBondContact CG-O 3.36Å; R59-L204 PolarHBondContact NE-O 3.07Å; R59-L204 PolarHBondContact O-N 3.28Å; F62-L204 HydrophobicContact CD1-CD1 4.35Å; F62-L204 HydrophobicContact CD2-CD1 3.6Å; F62-L204 HydrophobicContact CE1-CD1 4.08Å; F62-L204 HydrophobicContact CE2-CD1 3.27Å; F62-L204 HydrophobicContact CG-CD1 4.15Å; F62-L204 HydrophobicContact CZ-CD1 3.55Å; I111-L204 HydrophobicContact CG2-CD2 4.03Å; V201-L204 HydrophobicContact CG1-CD2 4.39Å
205	K	97.3	Very high	97.2	Very high	41 Å²	41	37 Å²	37	18%	0.178	20%	0.203	C	C	.	.			trans	-62.4	145.2	170.5	-55.8	-47.8	-173.7	-160.8	0	110	M109 R110 I111 G112 P212 E213	M109-K205 WeakPolarHBondContact O-CE 3.39Å; M109-K205 PolarHBondContact O-NZ 3.31Å; R110-K205 VanDerWaalsContact O-CE 3.24Å; R110-K205 WeakPolarHBondContact O-CE 3.42Å; R110-K205 WeakPolarHBondContact O-CG 3.46Å; I111-K205 PolarHBondContact O-N 2.8Å; I111-K205 VanDerWaalsContact O-N 3.1Å; G112-K205 WeakPolarHBondContact O-CE 3.18Å; G112-K205 PolarHBondContact O-NZ 3.48Å; K205-P212 WeakPolarHBondContact O-CA 3.43Å; K205-E213 HydrophobicContact CB-CG 4.41Å; K205-E213 WeakPolarHBondContact CB-OE2 3.38Å; K205-E213 PolarHBondContact O-N 2.84Å
206	L	97.1	Very high	97.1	Very high	52 Å²	52	36.4 Å²	36.4	27%	0.272	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-120.9	149.5	178.9	-53.7	175.9	0	0	0	108.4	R59 G210 E211 P212	R59-L206 HydrophobicContact CG-CD1 3.84Å; R59-L206 HydrophobicContact CG-CD2 4.37Å; R59-L206 HydrophobicContact CG-CG 4.04Å; L206-G210 WeakPolarHBondContact CD1-O 3.46Å; L206-G210 WeakPolarHBondContact CD2-O 3.26Å; L206-E211 CarbonylContact C-O 3.54Å; L206-E211 VanDerWaalsContact CA-O 3.26Å; L206-E211 WeakPolarHBondContact CA-O 3.24Å; L206-P212 HydrophobicContact CD2-CB 4.28Å
207	M	95.8	Very high	97	Very high	63 Å²	63	42 Å²	42	31%	0.31	22%	0.224	S	C	.	.			trans	-78.9	171.7	167.5	-58.8	178.9	-65.4	0	0	110.5	N209 G210 E211 E213 A226	M207-N209 WeakPolarHBondContact CB-OD1 3.49Å; M207-N209 PolarHBondContact O-N 3.17Å; M207-N209 VanDerWaalsContact O-N 3.1Å; M207-G210 PolarHBondContact O-N 3Å; M207-E211 HydrophobicContact CE-CB 3.9Å; M207-E211 PolarHBondContact N-O 2.97Å; M207-E213 HydrophobicContact CG-CG 3.95Å; M207-A226 HydrophobicContact CE-CB 3.59Å; M207-A226 HydrophobicContact SD-CB 4.07Å
208	D	95	Very high	96.8	Very high	184 Å²	184	45.7 Å²	45.7	98%	0.984	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.1	-177.1	-58.9	-39.6	0	0	0	114.3	G210	D208-G210 VanDerWaalsContact C-N 3.32Å
209	N	94.3	Very high	96.7	Very high	111 Å²	111	48.9 Å²	48.9	59%	0.594	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.2	173.8	71.5	-21.5	0	0	0	113.9	M207 E211	M207-N209 WeakPolarHBondContact CB-OD1 3.49Å; M207-N209 PolarHBondContact O-N 3.17Å; M207-N209 VanDerWaalsContact O-N 3.1Å; N209-E211 WeakPolarHBondContact ND2-CG 3.37Å; N209-E211 WeakPolarHBondContact OD1-CB 3.45Å; N209-E211 PolarHBondContact OD1-N 3.08Å; N209-E211 VanDerWaalsContact OD1-N 3.09Å
210	G	93.9	Very high	96.5	Very high	42 Å²	42	54.8 Å²	54.8	43%	0.433	29%	0.294	S	S	.	.	S	Bend	trans	91.1	-8.9	-177.7	0	0	0	0	0	115.4	L206 M207 D208	L206-G210 WeakPolarHBondContact CD1-O 3.46Å; L206-G210 WeakPolarHBondContact CD2-O 3.26Å; M207-G210 PolarHBondContact O-N 3Å; D208-G210 VanDerWaalsContact C-N 3.32Å
211	E	95.4	Very high	96.4	Very high	113 Å²	113	58.9 Å²	58.9	53%	0.528	31%	0.314	S	S	.	.			trans	-83.7	151.8	-179.8	-64.7	-58	146.6	0	0	112.3	L206 M207 N209	L206-E211 CarbonylContact C-O 3.54Å; L206-E211 VanDerWaalsContact CA-O 3.26Å; L206-E211 WeakPolarHBondContact CA-O 3.24Å; M207-E211 HydrophobicContact CE-CB 3.9Å; M207-E211 PolarHBondContact N-O 2.97Å; N209-E211 WeakPolarHBondContact ND2-CG 3.37Å; N209-E211 WeakPolarHBondContact OD1-CB 3.45Å; N209-E211 PolarHBondContact OD1-N 3.08Å; N209-E211 VanDerWaalsContact OD1-N 3.09Å
212	P	96.8	Very high	96.4	Very high	18 Å²	18	59.2 Å²	59.2	12%	0.117	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-65.2	148.5	175.6	27.5	-33.8	0	0	0	112.2	F62 K205 L206 L214 A226	F62-P212 HydrophobicContact CE1-CB 4.29Å; F62-P212 HydrophobicContact CE1-CG 3.96Å; K205-P212 WeakPolarHBondContact O-CA 3.43Å; L206-P212 HydrophobicContact CD2-CB 4.28Å; P212-L214 PolarHBondContact O-N 2.92Å; P212-L214 VanDerWaalsContact O-N 3.15Å; P212-A226 WeakPolarHBondContact O-CB 3.31Å
213	E	96.8	Very high	96.4	Very high	40 Å²	40	59.1 Å²	59.1	19%	0.187	32%	0.315	C	S	.	.	S	Bend	trans	-64.1	-16.9	175.4	-68.8	-176.2	76.9	0	0	113.7	L29 R110 K205 M207 A226	L29-E213 HydrophobicContact CD2-CB 3.65Å; R110-E213 IonicContact CZ-OE1 3.78Å; R110-E213 IonicContact CZ-OE2 2.62Å; R110-E213 IonicContact NH1-OE1 3.45Å; R110-E213 PolarHBondContact NH1-OE1 3.39Å; R110-E213 IonicContact NH1-OE2 2.7Å; R110-E213 PolarHBondContact NH1-OE2 2.84Å; R110-E213 IonicContact NH2-OE1 3.66Å; R110-E213 PolarHBondContact NH2-OE1 2.85Å; R110-E213 IonicContact NH2-OE2 3.51Å; K205-E213 HydrophobicContact CB-CG 4.41Å; K205-E213 WeakPolarHBondContact CB-OE2 3.38Å; K205-E213 PolarHBondContact O-N 2.84Å; M207-E213 HydrophobicContact CG-CG 3.95Å; E213-A226 PolarHBondContact O-N 2.91Å; E213-A226 VanDerWaalsContact O-N 3.08Å
214	L	97.6	Very high	96.4	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.3	179.4	-62	178	0	0	0	110	L29 F30 F62 L64 I111 P212 I223 L224 M225	L29-L214 HydrophobicContact CD2-CD2 3.52Å; L29-L214 HydrophobicContact CD2-CG 3.91Å; L29-L214 HydrophobicContact CG-CD2 4.1Å; F30-L214 HydrophobicContact CE1-CD2 4.08Å; F62-L214 HydrophobicContact CZ-CB 4.27Å; L64-L214 HydrophobicContact CD2-CD1 4.12Å; I111-L214 HydrophobicContact CG2-CD1 4.49Å; P212-L214 PolarHBondContact O-N 2.92Å; P212-L214 VanDerWaalsContact O-N 3.15Å; L214-I223 HydrophobicContact CB-CG2 4.09Å; L214-I223 HydrophobicContact CD1-CG2 4.19Å; L214-I223 HydrophobicContact CD2-CG2 3.94Å; L214-I223 HydrophobicContact CG-CG2 4.3Å; L214-L224 CarbonylContact C-O 3.41Å; L214-L224 WeakPolarHBondContact CA-O 3.38Å; L214-M225 HydrophobicContact CD2-SD 4.4Å
215	D	96.6	Very high	96.2	Very high	27 Å²	27	60.7 Å²	60.7	14%	0.144	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.9	173.5	167	13.1	0	0	0	109.6	E217 S218 L224 A226	D215-E217 PolarHBondContact OD1-N 3.22Å; D215-S218 PolarHBondContact OD1-N 2.89Å; D215-S218 PolarHBondContact OD1-OG 2.84Å; D215-S218 WeakPolarHBondContact OD2-CB 3.27Å; D215-S218 PolarHBondContact OD2-OG 2.86Å; D215-L224 HydrophobicContact CB-CB 4.13Å; D215-L224 PolarHBondContact N-O 3.33Å; D215-L224 PolarHBondContact O-N 2.97Å; D215-A226 HydrophobicContact CB-CB 4.13Å
216	V	96.4	Very high	96	Very high	13 Å²	13	60 Å²	60	8%	0.079	32%	0.324	C	S	.	.			trans	-124.2	11.5	176.9	-61.8	0	0	0	0	112.2	T52 F62 H220 I223	T52-V216 HydrophobicContact CG2-CG1 4.09Å; F62-V216 HydrophobicContact CD1-CG2 4.16Å; F62-V216 HydrophobicContact CE1-CG2 3.8Å; F62-V216 HydrophobicContact CE2-CG1 4.47Å; F62-V216 HydrophobicContact CE2-CG2 4.49Å; F62-V216 HydrophobicContact CZ-CG1 4.18Å; F62-V216 HydrophobicContact CZ-CG2 3.98Å; V216-H220 PolarHBondContact O-ND1 3.45Å; V216-I223 HydrophobicContact CG1-CB 4.38Å; V216-I223 HydrophobicContact CG1-CG1 4.03Å; V216-I223 HydrophobicContact CG1-CG2 4.19Å
217	E	94.9	Very high	95.4	Very high	118 Å²	118	59.8 Å²	59.8	55%	0.551	34%	0.335	S	S	*	.	S	Bend	trans	-108.7	-31.5	-176.2	-55.8	-139.6	131.1	0	0	112.2	K54 D215 D219 H220	K54-E217 IonicContact NZ-OE1 2.72Å; K54-E217 PolarHBondContact NZ-OE1 2.85Å; D215-E217 PolarHBondContact OD1-N 3.22Å; E217-D219 VanDerWaalsContact C-N 3.34Å; E217-D219 PolarHBondContact O-N 3.19Å; E217-H220 PolarHBondContact O-CE1 2.74Å; E217-H220 PolarHBondContact O-ND1 3.21Å
218	S	95.1	Very high	94.5	Very high	90 Å²	90	63.4 Å²	63.4	63%	0.629	36%	0.361	S	S	*	.	S	Bend	trans	-67.9	-30	174.8	-60.9	0	0	0	0	113.7	D215	D215-S218 PolarHBondContact OD1-N 2.89Å; D215-S218 PolarHBondContact OD1-OG 2.84Å; D215-S218 WeakPolarHBondContact OD2-CB 3.27Å; D215-S218 PolarHBondContact OD2-OG 2.86Å
219	D	95.7	Very high	93.3	Very high	67 Å²	67	58.2 Å²	58.2	36%	0.358	34%	0.337	S	S	.	.			trans	-144.4	104.9	171.5	-174.2	-11.9	0	0	0	109.8	E217 Q221 D222 L224	E217-D219 VanDerWaalsContact C-N 3.34Å; E217-D219 PolarHBondContact O-N 3.19Å; D219-Q221 PolarHBondContact O-N 3.15Å; D219-Q221 WeakPolarHBondContact OD1-CB 3.35Å; D219-Q221 PolarHBondContact OD1-N 2.96Å; D219-D222 HydrophobicContact CB-CB 4.15Å; D219-D222 PolarHBondContact O-N 3.08Å; D219-L224 HydrophobicContact CB-CD1 4.41Å
220	H	95.8	Very high	92.3	Very high	135 Å²	135	56.1 Å²	56.1	63%	0.625	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-2.1	179.2	-54.7	-33.2	0	0	0	114.3	V216 E217 Q258	V216-H220 PolarHBondContact O-ND1 3.45Å; E217-H220 PolarHBondContact O-CE1 2.74Å; E217-H220 PolarHBondContact O-ND1 3.21Å; H220-Q258 WeakPolarHBondContact O-CB 3.43Å; H220-Q258 WeakPolarHBondContact O-CG 3.24Å
221	Q	96.6	Very high	91.3	Very high	87 Å²	87	63.5 Å²	63.5	41%	0.407	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-1.5	170.7	-57.8	-169	-9.4	0	0	112.8	D219 R241 H260	D219-Q221 PolarHBondContact O-N 3.15Å; D219-Q221 WeakPolarHBondContact OD1-CB 3.35Å; D219-Q221 PolarHBondContact OD1-N 2.96Å; Q221-R241 PolarHBondContact O-NE 2.95Å; Q221-R241 PolarHBondContact O-NH2 3.37Å; Q221-H260 HydrophobicContact CB-CB 4.45Å; Q221-H260 PolarHBondContact NE2-CD2 3.34Å; Q221-H260 PolarHBondContact NE2-NE2 3.47Å
222	D	98.1	Very high	90.5	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.032	35%	0.354	C	S	.	.	S	Bend	trans	-129.6	179.2	-175.5	-151.7	-12.8	0	0	0	112.2	D219 L224 S239 F240 R241	D219-D222 HydrophobicContact CB-CB 4.15Å; D219-D222 PolarHBondContact O-N 3.08Å; D222-L224 HydrophobicContact CB-CD2 3.96Å; D222-L224 HydrophobicContact CB-CG 4.43Å; D222-L224 WeakPolarHBondContact OD2-CD2 3.33Å; D222-S239 WeakPolarHBondContact OD2-CB 3.46Å; D222-S239 PolarHBondContact OD2-OG 2.9Å; D222-F240 PolarHBondContact OD1-N 2.77Å; D222-R241 HydrophobicContact CB-CB 4.46Å; D222-R241 VanDerWaalsContact CG-CB 3.44Å; D222-R241 WeakPolarHBondContact OD1-CB 3.48Å; D222-R241 PolarHBondContact OD1-N 2.88Å; D222-R241 WeakPolarHBondContact OD2-CB 3.22Å
223	I	98.3	Very high	90.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	37%	0.369	C	S	.	.			trans	-128.2	113.1	162.4	-59.9	171.3	0	0	0	105.2	F30 I50 L64 L214 V216 F240 I257	F30-I223 WeakPolarHBondContact CZ-O 3.3Å; I50-I223 HydrophobicContact CG2-CD1 3.97Å; L64-I223 HydrophobicContact CD1-CD1 3.73Å; L214-I223 HydrophobicContact CB-CG2 4.09Å; L214-I223 HydrophobicContact CD1-CG2 4.19Å; L214-I223 HydrophobicContact CD2-CG2 3.94Å; L214-I223 HydrophobicContact CG-CG2 4.3Å; V216-I223 HydrophobicContact CG1-CB 4.38Å; V216-I223 HydrophobicContact CG1-CG1 4.03Å; V216-I223 HydrophobicContact CG1-CG2 4.19Å; I223-F240 HydrophobicContact CB-CB 4.06Å; I223-F240 HydrophobicContact CD1-CD1 4.38Å; I223-F240 WeakPolarHBondContact O-CB 3.23Å; I223-F240 PolarHBondContact O-N 3.39Å; I223-I257 HydrophobicContact CD1-CG2 4.27Å; I223-I257 HydrophobicContact CG1-CG2 3.99Å
224	L	97.7	Very high	89.9	Confident	19 Å²	19	62.6 Å²	62.6	10%	0.099	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	154.6	-175.8	-57	-175.3	0	0	0	111.5	L214 D215 D219 D222 R238	L214-L224 CarbonylContact C-O 3.41Å; L214-L224 WeakPolarHBondContact CA-O 3.38Å; D215-L224 HydrophobicContact CB-CB 4.13Å; D215-L224 PolarHBondContact N-O 3.33Å; D215-L224 PolarHBondContact O-N 2.97Å; D219-L224 HydrophobicContact CB-CD1 4.41Å; D222-L224 HydrophobicContact CB-CD2 3.96Å; D222-L224 HydrophobicContact CB-CG 4.43Å; D222-L224 WeakPolarHBondContact OD2-CD2 3.33Å; L224-R238 CarbonylContact C-O 3.5Å; L224-R238 WeakPolarHBondContact CA-O 3.38Å
225	M	96.1	Very high	89.8	Confident	41 Å²	41	64.6 Å²	64.6	20%	0.202	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.7	160	-66.7	-56.5	-49.1	0	0	108.9	L29 F30 L214 R237 R238	L29-M225 HydrophobicContact CB-CE 4.01Å; L29-M225 HydrophobicContact CB-SD 3.96Å; L29-M225 HydrophobicContact CD2-CE 3.96Å; L29-M225 HydrophobicContact CD2-SD 4.21Å; L29-M225 HydrophobicContact CG-SD 4.45Å; F30-M225 HydrophobicContact CD1-SD 3.96Å; F30-M225 HydrophobicContact CE1-CG 4.05Å; F30-M225 HydrophobicContact CE1-SD 3.64Å; F30-M225 HydrophobicContact CE2-CG 4Å; F30-M225 HydrophobicContact CE2-SD 4.48Å; F30-M225 HydrophobicContact CZ-CG 3.68Å; F30-M225 HydrophobicContact CZ-SD 3.94Å; L214-M225 HydrophobicContact CD2-SD 4.4Å; M225-R237 WeakPolarHBondContact CG-O 3.27Å; M225-R238 PolarHBondContact N-O 3.36Å; M225-R238 PolarHBondContact O-NH1 2.74Å
226	A	92.9	Very high	89.8	Confident	27 Å²	27	64.1 Å²	64.1	22%	0.223	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64	160.8	-178.7	0	0	0	0	0	113.1	M207 P212 E213 D215	M207-A226 HydrophobicContact CE-CB 3.59Å; M207-A226 HydrophobicContact SD-CB 4.07Å; P212-A226 WeakPolarHBondContact O-CB 3.31Å; E213-A226 PolarHBondContact O-N 2.91Å; E213-A226 VanDerWaalsContact O-N 3.08Å; D215-A226 HydrophobicContact CB-CB 4.13Å
227	G	84.3	Confident	89.7	Confident	48 Å²	48	69.9 Å²	69.9	50%	0.495	40%	0.399	S	S	.	.	S	Bend	trans	89.4	174.8	179.3	0	0	0	0	0	115.1	R238	G227-R238 PolarHBondContact O-NH1 3.07Å; G227-R238 PolarHBondContact O-NH2 2.96Å
228	T	75.4	Confident	89.7	Confident	138 Å²	138	67 Å²	67	85%	0.847	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-70.4	131.2	-174.1	-48.9	0	0	0	0	111.9	A230	T228-A230 PolarHBondContact O-N 2.7Å
229	P	71.4	Confident	89.9	Confident	76 Å²	76	63.8 Å²	63.8	49%	0.494	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-69.7	118.7	175.9	27.8	-32.5	0	0	0	110.9
230	A	72.8	Confident	90	Very high	67 Å²	67	60.6 Å²	60.6	55%	0.554	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-68	149	167.6	0	0	0	0	0	111	T228 G232 V233	T228-A230 PolarHBondContact O-N 2.7Å; A230-G232 PolarHBondContact O-N 2.72Å; A230-V233 HydrophobicContact CB-CG2 3.89Å; A230-V233 WeakPolarHBondContact O-CB 3.31Å; A230-V233 WeakPolarHBondContact O-CG2 3.42Å; A230-V233 PolarHBondContact O-N 3.43Å
231	E	73.3	Confident	90.1	Very high	197 Å²	197	56.4 Å²	56.4	92%	0.921	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	137.5	-178.3	-166.7	178.6	-176	0	0	111.5	V233	E231-V233 VanDerWaalsContact C-N 3.26Å; E231-V233 PolarHBondContact O-N 3.12Å
232	G	78.2	Confident	90.2	Very high	43 Å²	43	53.1 Å²	53.1	44%	0.443	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-1.4	-179.5	0	0	0	0	0	115.9	A230 K234	A230-G232 PolarHBondContact O-N 2.72Å; G232-K234 PolarHBondContact O-N 3.17Å; G232-K234 PolarHBondContact O-NZ 3.29Å
233	V	87.4	Confident	90.2	Very high	71 Å²	71	52.9 Å²	52.9	43%	0.43	31%	0.308	S	S	.	.			trans	-55.7	128.1	171.2	169.3	0	0	0	0	110	A230 E231 R237 R238	A230-V233 HydrophobicContact CB-CG2 3.89Å; A230-V233 WeakPolarHBondContact O-CB 3.31Å; A230-V233 WeakPolarHBondContact O-CG2 3.42Å; A230-V233 PolarHBondContact O-N 3.43Å; E231-V233 VanDerWaalsContact C-N 3.26Å; E231-V233 PolarHBondContact O-N 3.12Å; V233-R237 HydrophobicContact CG1-CB 4.36Å; V233-R238 HydrophobicContact CG1-CB 4.37Å
234	K	93.4	Very high	90.2	Very high	37 Å²	37	52.9 Å²	52.9	16%	0.161	31%	0.309	C	S	.	.			trans	-77.3	142.2	-174.8	-61.9	-73.8	155.1	-96.5	0	110.7	G232 E236 R237 E378 L379 Y394	G232-K234 PolarHBondContact O-N 3.17Å; G232-K234 PolarHBondContact O-NZ 3.29Å; K234-E236 VanDerWaalsContact C-N 3.27Å; K234-E236 PolarHBondContact O-N 3.28Å; K234-E236 VanDerWaalsContact O-N 3.16Å; K234-R237 WeakPolarHBondContact O-CB 3.48Å; K234-R237 PolarHBondContact O-N 3.11Å; K234-E378 WeakPolarHBondContact CE-O 3.28Å; K234-E378 IonicContact NZ-OE1 2.73Å; K234-E378 PolarHBondContact NZ-OE1 3.46Å; K234-E378 IonicContact NZ-OE2 3.45Å; K234-L379 HydrophobicContact CD-CD2 3.27Å; K234-Y394 HydrophobicContact CB-CD2 3.92Å; K234-Y394 HydrophobicContact CB-CE2 3.63Å; K234-Y394 HydrophobicContact CD-CD1 4.28Å; K234-Y394 HydrophobicContact CD-CD2 4.16Å; K234-Y394 HydrophobicContact CD-CE1 4.24Å; K234-Y394 HydrophobicContact CD-CE2 4.1Å; K234-Y394 HydrophobicContact CD-CG 4.24Å; K234-Y394 HydrophobicContact CG-CD2 3.84Å; K234-Y394 HydrophobicContact CG-CE2 3.97Å; K234-Y394 HydrophobicContact CG-CG 4.27Å
235	P	94.8	Very high	90.2	Very high	49 Å²	49	52.2 Å²	52.2	32%	0.318	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-52.4	-43	-172.2	-28.9	35.5	0	0	0	113.8	R237 R238 S239 A242 L379	P235-R237 PolarHBondContact O-N 3.41Å; P235-R237 VanDerWaalsContact O-N 3.1Å; P235-R238 PolarHBondContact O-N 2.65Å; P235-S239 PolarHBondContact O-N 2.88Å; P235-A242 HydrophobicContact CB-CB 3.91Å; P235-L379 HydrophobicContact CG-CD1 4Å
236	E	96.8	Very high	90.3	Very high	17 Å²	17	50.5 Å²	50.5	8%	0.079	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-66.8	-8.4	-179.8	-62	73.5	-164.7	0	0	114	K234 A242 Y243 V246 M393 Y394	K234-E236 VanDerWaalsContact C-N 3.27Å; K234-E236 PolarHBondContact O-N 3.28Å; K234-E236 VanDerWaalsContact O-N 3.16Å; E236-A242 HydrophobicContact CG-CB 4.3Å; E236-Y243 HydrophobicContact CB-CD2 4.35Å; E236-V246 HydrophobicContact CG-CG2 3.73Å; E236-M393 HydrophobicContact CB-CE 4.04Å; E236-M393 HydrophobicContact CB-SD 3.83Å; E236-Y394 PolarHBondContact OE1-OH 3.2Å; E236-Y394 WeakPolarHBondContact OE2-CE2 3.4Å; E236-Y394 VanDerWaalsContact OE2-CZ 3.29Å; E236-Y394 PolarHBondContact OE2-OH 3.05Å
237	R	95.5	Very high	90.6	Very high	134 Å²	134	49.2 Å²	49.2	51%	0.506	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-100.1	-5.3	172.2	-69.7	-178.8	172.2	-96.5	1.7	113.6	F28 M225 V233 K234 P235 M393	F28-R237 HydrophobicContact CE2-CB 4.49Å; F28-R237 HydrophobicContact CE2-CG 4.37Å; M225-R237 WeakPolarHBondContact CG-O 3.27Å; V233-R237 HydrophobicContact CG1-CB 4.36Å; K234-R237 WeakPolarHBondContact O-CB 3.48Å; K234-R237 PolarHBondContact O-N 3.11Å; P235-R237 PolarHBondContact O-N 3.41Å; P235-R237 VanDerWaalsContact O-N 3.1Å; R237-M393 HydrophobicContact CG-SD 4.37Å
238	R	94.8	Very high	91.3	Very high	59 Å²	59	47.1 Å²	47.1	22%	0.223	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-36.5	176.3	-177.2	177.7	-178.8	83.1	1.5	113.5	F30 L224 M225 G227 V233 P235	F30-R238 WeakPolarHBondContact CZ-O 3.34Å; L224-R238 CarbonylContact C-O 3.5Å; L224-R238 WeakPolarHBondContact CA-O 3.38Å; M225-R238 PolarHBondContact N-O 3.36Å; M225-R238 PolarHBondContact O-NH1 2.74Å; G227-R238 PolarHBondContact O-NH1 3.07Å; G227-R238 PolarHBondContact O-NH2 2.96Å; V233-R238 HydrophobicContact CG1-CB 4.37Å; P235-R238 PolarHBondContact O-N 2.65Å
239	S	97.8	Very high	92.3	Very high	22 Å²	22	41.5 Å²	41.5	15%	0.154	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-108.5	122.7	-176.3	159.3	0	0	0	0	110.6	F30 D222 P235 R241 A242 Y243	F30-S239 VanDerWaalsContact CE2-C 3.43Å; D222-S239 WeakPolarHBondContact OD2-CB 3.46Å; D222-S239 PolarHBondContact OD2-OG 2.9Å; P235-S239 PolarHBondContact O-N 2.88Å; S239-R241 VanDerWaalsContact C-N 3.33Å; S239-A242 PolarHBondContact O-N 2.87Å; S239-A242 WeakPolarHBondContact OG-CB 3.48Å; S239-A242 PolarHBondContact OG-N 2.71Å; S239-Y243 PolarHBondContact O-N 3.33Å
240	F	98.6	Very high	93.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70.9	-32.8	177	-168.4	-125.3	0	0	0	111	F30 L33 V37 I50 D222 I223 A242 Y243 T244 I257	F30-F240 HydrophobicContact CB-CD2 3.92Å; F30-F240 HydrophobicContact CB-CE2 4.22Å; F30-F240 HydrophobicContact CD1-CB 4.19Å; F30-F240 AromaticContact CD1-CD2 3.73Å; F30-F240 HydrophobicContact CD1-CD2 3.73Å; F30-F240 HydrophobicContact CD1-CG 4.27Å; F30-F240 HydrophobicContact CD2-CD2 4.18Å; F30-F240 HydrophobicContact CE1-CB 3.82Å; F30-F240 HydrophobicContact CE1-CD2 4.25Å; F30-F240 HydrophobicContact CE1-CG 4.35Å; F30-F240 HydrophobicContact CE2-CB 4.17Å; F30-F240 AromaticContact CG-CD2 3.7Å; F30-F240 HydrophobicContact CG-CD2 3.7Å; F30-F240 HydrophobicContact CG-CE2 4.46Å; F30-F240 HydrophobicContact CZ-CB 3.8Å; L33-F240 HydrophobicContact CB-CD2 4.46Å; L33-F240 HydrophobicContact CB-CE1 4.35Å; L33-F240 HydrophobicContact CB-CE2 3.6Å; L33-F240 HydrophobicContact CB-CZ 3.55Å; L33-F240 HydrophobicContact CD2-CD1 4.06Å; L33-F240 HydrophobicContact CD2-CD2 4.19Å; L33-F240 HydrophobicContact CD2-CE1 3.89Å; L33-F240 HydrophobicContact CD2-CE2 4.03Å; L33-F240 HydrophobicContact CD2-CG 4.23Å; L33-F240 HydrophobicContact CD2-CZ 3.89Å; L33-F240 HydrophobicContact CG-CE2 4.46Å; L33-F240 HydrophobicContact CG-CZ 4.38Å; V37-F240 HydrophobicContact CG2-CZ 4.19Å; I50-F240 HydrophobicContact CD1-CE1 3.72Å; I50-F240 HydrophobicContact CD1-CZ 4.31Å; I50-F240 HydrophobicContact CG2-CE1 4.27Å; D222-F240 PolarHBondContact OD1-N 2.77Å; I223-F240 HydrophobicContact CB-CB 4.06Å; I223-F240 HydrophobicContact CD1-CD1 4.38Å; I223-F240 WeakPolarHBondContact O-CB 3.23Å; I223-F240 PolarHBondContact O-N 3.39Å; F240-A242 VanDerWaalsContact C-N 3.33Å; F240-A242 PolarHBondContact O-N 2.94Å; F240-Y243 HydrophobicContact CD2-CD1 4.06Å; F240-Y243 AromaticContact CE2-CD1 4Å; F240-Y243 HydrophobicContact CE2-CD1 4Å; F240-Y243 PolarHBondContact O-N 3.08Å; F240-T244 HydrophobicContact CD1-CG2 4.03Å; F240-T244 HydrophobicContact CD2-CG2 4.06Å; F240-T244 HydrophobicContact CE1-CG2 3.67Å; F240-T244 HydrophobicContact CE2-CG2 3.71Å; F240-T244 HydrophobicContact CG-CG2 4.2Å; F240-T244 HydrophobicContact CZ-CG2 3.49Å; F240-T244 VanDerWaalsContact CZ-CG2 3.49Å; F240-T244 WeakPolarHBondContact O-CB 3.49Å; F240-T244 WeakPolarHBondContact O-CG2 3.38Å; F240-T244 PolarHBondContact O-N 3.02Å; F240-T244 PolarHBondContact O-OG1 3.17Å; F240-I257 HydrophobicContact CB-CD1 4.44Å; F240-I257 HydrophobicContact CD1-CD1 3.59Å; F240-I257 HydrophobicContact CD1-CG1 4.29Å; F240-I257 HydrophobicContact CE1-CD1 4.22Å; F240-I257 HydrophobicContact CG-CD1 4.3Å
241	R	98.3	Very high	94.5	Very high	46 Å²	46	38.2 Å²	38.2	17%	0.174	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-36.1	168.9	176.6	174.5	-73.5	-73.6	-11.2	113.2	Q221 D222 S239 T244 A245 I257 H260 K261	Q221-R241 PolarHBondContact O-NE 2.95Å; Q221-R241 PolarHBondContact O-NH2 3.37Å; D222-R241 HydrophobicContact CB-CB 4.46Å; D222-R241 VanDerWaalsContact CG-CB 3.44Å; D222-R241 WeakPolarHBondContact OD1-CB 3.48Å; D222-R241 PolarHBondContact OD1-N 2.88Å; D222-R241 WeakPolarHBondContact OD2-CB 3.22Å; S239-R241 VanDerWaalsContact C-N 3.33Å; R241-T244 PolarHBondContact O-OG1 2.8Å; R241-A245 VanDerWaalsContact O-CB 3.31Å; R241-A245 WeakPolarHBondContact O-CB 3.45Å; R241-A245 PolarHBondContact O-N 3.22Å; R241-I257 HydrophobicContact CB-CD1 4.12Å; R241-I257 PolarHBondContact NH2-O 3.47Å; R241-H260 PolarHBondContact NH2-O 2.84Å; R241-K261 PolarHBondContact NH1-O 3.02Å
242	A	97.9	Very high	95.5	Very high	18 Å²	18	33.2 Å²	33.2	15%	0.149	17%	0.17	C	C	.	.	H	α-helix	trans	-70.2	-47.9	172.3	0	0	0	0	0	111.3	P235 E236 S239 F240 A245	P235-A242 HydrophobicContact CB-CB 3.91Å; E236-A242 HydrophobicContact CG-CB 4.3Å; S239-A242 PolarHBondContact O-N 2.87Å; S239-A242 WeakPolarHBondContact OG-CB 3.48Å; S239-A242 PolarHBondContact OG-N 2.71Å; F240-A242 VanDerWaalsContact C-N 3.33Å; F240-A242 PolarHBondContact O-N 2.94Å; A242-A245 WeakPolarHBondContact O-CB 3.18Å; A242-A245 PolarHBondContact O-N 2.85Å
243	Y	98.6	Very high	96.5	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-51.7	-179.4	-178.6	-129.8	0	0	0	112.6	F28 F30 A34 E236 S239 F240 A245 V246 L247 L390 M393	F28-Y243 HydrophobicContact CE1-CE1 4.17Å; F28-Y243 HydrophobicContact CE1-CE2 4.09Å; F28-Y243 AromaticContact CE1-CZ 3.86Å; F30-Y243 HydrophobicContact CB-CD1 3.68Å; F30-Y243 HydrophobicContact CB-CE1 3.86Å; F30-Y243 HydrophobicContact CD2-CD1 4.43Å; F30-Y243 HydrophobicContact CG-CD1 4.44Å; F30-Y243 WeakPolarHBondContact O-CE1 3.29Å; A34-Y243 HydrophobicContact CB-CE1 3.83Å; E236-Y243 HydrophobicContact CB-CD2 4.35Å; S239-Y243 PolarHBondContact O-N 3.33Å; F240-Y243 HydrophobicContact CD2-CD1 4.06Å; F240-Y243 AromaticContact CE2-CD1 4Å; F240-Y243 HydrophobicContact CE2-CD1 4Å; F240-Y243 PolarHBondContact O-N 3.08Å; Y243-A245 PolarHBondContact O-N 3.46Å; Y243-V246 CarbonylContact O-C 3.58Å; Y243-V246 PolarHBondContact O-N 3.36Å; Y243-L247 HydrophobicContact CE1-CD1 3.87Å; Y243-L247 HydrophobicContact CE2-CD1 4.06Å; Y243-L247 PolarHBondContact O-N 3.07Å; Y243-L390 HydrophobicContact CE2-CD2 4.31Å; Y243-M393 HydrophobicContact CD2-CE 3.61Å; Y243-M393 HydrophobicContact CE2-CE 3.49Å; Y243-M393 VanDerWaalsContact CE2-CE 3.49Å
244	T	98.4	Very high	97	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-60.4	-28.9	177.6	51.1	0	0	0	0	112.8	F240 R241 V246 L247 I255 I257	F240-T244 HydrophobicContact CD1-CG2 4.03Å; F240-T244 HydrophobicContact CD2-CG2 4.06Å; F240-T244 HydrophobicContact CE1-CG2 3.67Å; F240-T244 HydrophobicContact CE2-CG2 3.71Å; F240-T244 HydrophobicContact CG-CG2 4.2Å; F240-T244 HydrophobicContact CZ-CG2 3.49Å; F240-T244 VanDerWaalsContact CZ-CG2 3.49Å; F240-T244 WeakPolarHBondContact O-CB 3.49Å; F240-T244 WeakPolarHBondContact O-CG2 3.38Å; F240-T244 PolarHBondContact O-N 3.02Å; F240-T244 PolarHBondContact O-OG1 3.17Å; R241-T244 PolarHBondContact O-OG1 2.8Å; T244-V246 PolarHBondContact O-N 3.39Å; T244-L247 PolarHBondContact O-N 3.49Å; T244-I255 HydrophobicContact CG2-CD1 4.26Å; T244-I255 HydrophobicContact CG2-CG2 4.34Å; T244-I257 HydrophobicContact CG2-CD1 4.37Å
245	A	98.2	Very high	97.2	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.041	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-22.9	175.9	0	0	0	0	0	114	R241 A242 Y243 V262 R263 T264 K265	R241-A245 VanDerWaalsContact O-CB 3.31Å; R241-A245 WeakPolarHBondContact O-CB 3.45Å; R241-A245 PolarHBondContact O-N 3.22Å; A242-A245 WeakPolarHBondContact O-CB 3.18Å; A242-A245 PolarHBondContact O-N 2.85Å; Y243-A245 PolarHBondContact O-N 3.46Å; A245-V262 HydrophobicContact CB-CG1 3.84Å; A245-R263 WeakPolarHBondContact CB-O 3.37Å; A245-T264 CarbonylContact O-C 3.4Å; A245-T264 WeakPolarHBondContact O-CA 3.34Å; A245-K265 PolarHBondContact O-N 2.82Å
246	V	98.1	Very high	97.4	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.024	12%	0.117	C	C	.	.	H	α-helix	trans	-122.5	10.4	178.2	-61.6	0	0	0	0	113.4	E236 Y243 T244 Y248 F383 Y385 L390	E236-V246 HydrophobicContact CG-CG2 3.73Å; Y243-V246 CarbonylContact O-C 3.58Å; Y243-V246 PolarHBondContact O-N 3.36Å; T244-V246 PolarHBondContact O-N 3.39Å; V246-Y248 PolarHBondContact O-N 3.24Å; V246-F383 HydrophobicContact CG2-CE1 4.33Å; V246-Y385 WeakPolarHBondContact O-CE1 3.17Å; V246-Y385 PolarHBondContact O-OH 3.19Å; V246-L390 HydrophobicContact CG2-CD2 4.06Å; V246-L390 WeakPolarHBondContact O-CD2 3.14Å
247	L	98.6	Very high	97.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-63.1	-27.1	-177.2	-175.5	62.6	0	0	0	113.1	A34 V37 Y243 T244 L390	A34-L247 HydrophobicContact CB-CD1 3.95Å; A34-L247 HydrophobicContact CB-CD2 3.88Å; V37-L247 HydrophobicContact CB-CD2 4.26Å; V37-L247 HydrophobicContact CG1-CD2 4.09Å; Y243-L247 HydrophobicContact CE1-CD1 3.87Å; Y243-L247 HydrophobicContact CE2-CD1 4.06Å; Y243-L247 PolarHBondContact O-N 3.07Å; T244-L247 PolarHBondContact O-N 3.49Å; L247-L390 WeakPolarHBondContact O-CB 3.49Å; L247-L390 PolarHBondContact O-N 2.6Å
248	Y	98.4	Very high	97.6	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.02	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-125	133.7	179.1	-55.8	-59.2	0	0	0	111.9	V37 D38 R41 I97 V246 D250 M253 I255 S388 R389	V37-Y248 HydrophobicContact CG1-CE2 4.08Å; V37-Y248 PolarHBondContact O-OH 2.75Å; D38-Y248 WeakPolarHBondContact CA-OH 3.34Å; D38-Y248 PolarHBondContact N-OH 3.3Å; D38-Y248 WeakPolarHBondContact OD1-CE1 3.42Å; D38-Y248 PolarHBondContact OD1-OH 3.27Å; R41-Y248 VanDerWaalsContact CD-CE1 3.41Å; R41-Y248 VanDerWaalsContact NH1-CG 3.34Å; I97-Y248 HydrophobicContact CD1-CD1 4.35Å; I97-Y248 HydrophobicContact CD1-CE1 3.67Å; V246-Y248 PolarHBondContact O-N 3.24Å; Y248-D250 VanDerWaalsContact C-N 3.29Å; Y248-D250 PolarHBondContact O-N 3.07Å; Y248-M253 HydrophobicContact CE2-CE 4.37Å; Y248-I255 HydrophobicContact CE2-CD1 4.5Å; Y248-S388 VanDerWaalsContact CA-O 3.23Å; Y248-S388 WeakPolarHBondContact CA-O 3.14Å; Y248-R389 HydrophobicContact CE1-CB 4.43Å
249	I	96.9	Very high	97.6	Very high	19 Å²	19	20.1 Å²	20.1	10%	0.097	11%	0.109	C	C	.	.	S	Bend	trans	-63.6	-39.1	179.9	-166	175.3	0	0	0	111.4	R266 Y385 S388 V413 D415	I249-R266 WeakPolarHBondContact O-CG 3.15Å; I249-Y385 HydrophobicContact CB-CD1 3.68Å; I249-Y385 HydrophobicContact CB-CD2 4.1Å; I249-Y385 HydrophobicContact CB-CE1 3.84Å; I249-Y385 HydrophobicContact CB-CE2 4.24Å; I249-Y385 HydrophobicContact CB-CG 3.83Å; I249-Y385 HydrophobicContact CD1-CD2 4.19Å; I249-Y385 HydrophobicContact CG1-CD2 4.26Å; I249-Y385 HydrophobicContact CG1-CE2 4.26Å; I249-Y385 HydrophobicContact CG1-CG 4.48Å; I249-S388 PolarHBondContact N-O 2.77Å; I249-V413 HydrophobicContact CD1-CG1 3.57Å; I249-V413 HydrophobicContact CG1-CG1 4.03Å; I249-D415 HydrophobicContact CD1-CB 3.98Å; I249-D415 HydrophobicContact CG2-CB 4.47Å
250	D	93.6	Very high	97.5	Very high	72 Å²	72	22.7 Å²	22.7	39%	0.385	12%	0.118	S	C	.	.	S	Bend	trans	-119.5	98.4	170.7	-81.3	-62	0	0	0	109.1	R41 Y248 R266	R41-D250 PolarHBondContact NH1-O 3.5Å; Y248-D250 VanDerWaalsContact C-N 3.29Å; Y248-D250 PolarHBondContact O-N 3.07Å; D250-R266 WeakPolarHBondContact OD1-CD 3.48Å
251	P	96.3	Very high	97.5	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.013	12%	0.122	C	C	.	.			trans	-76.2	138.5	173.6	-9	24.8	0	0	0	111.2	T264 W505	P251-T264 HydrophobicContact CB-CG2 4.14Å; P251-W505 HydrophobicContact CB-CZ2 4.11Å; P251-W505 HydrophobicContact CG-CZ2 4.02Å; P251-W505 PolarHBondContact O-NE1 2.92Å
252	R	95.6	Very high	97.4	Very high	92 Å²	92	21.4 Å²	21.4	35%	0.347	12%	0.115	S	C	.	.			trans	-133.3	-57.8	174.1	-69.5	-66.1	175.3	-165.6	-6.3	110.9	R254 Q498 L503 E540	R252-R254 PolarHBondContact O-N 3.36Å; R252-Q498 PolarHBondContact O-NE2 3.36Å; R252-L503 PolarHBondContact NH1-O 2.89Å; R252-E540 IonicContact CZ-OE1 2.91Å; R252-E540 IonicContact CZ-OE2 2.69Å; R252-E540 IonicContact NH1-OE1 2.68Å; R252-E540 IonicContact NH1-OE2 3.48Å; R252-E540 PolarHBondContact NH1-OE2 2.98Å; R252-E540 VanDerWaalsContact NH2-CD 3.29Å; R252-E540 IonicContact NH2-OE1 3.37Å; R252-E540 PolarHBondContact NH2-OE1 3.22Å; R252-E540 IonicContact NH2-OE2 3.72Å; R252-E540 PolarHBondContact NH2-OE2 3.05Å; R252-E540 VanDerWaalsContact NH2-OE2 3.15Å
253	M	97.9	Very high	97.3	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.034	13%	0.129	C	C	.	.	S	Bend	trans	-52.8	129.6	165.3	-175.6	178.1	68.6	0	0	109.9	V37 R41 A45 I48 Y248 I255	V37-M253 HydrophobicContact CG1-CE 3.53Å; R41-M253 HydrophobicContact CB-CE 3.96Å; R41-M253 HydrophobicContact CB-SD 4.33Å; A45-M253 HydrophobicContact CB-CG 4.35Å; A45-M253 HydrophobicContact CB-SD 3.87Å; A45-M253 VanDerWaalsContact O-CB 3.29Å; A45-M253 WeakPolarHBondContact O-CB 3.28Å; A45-M253 WeakPolarHBondContact O-CG 3.32Å; I48-M253 HydrophobicContact CB-CE 4.42Å; I48-M253 HydrophobicContact CB-SD 4.05Å; I48-M253 HydrophobicContact CG2-CE 3.68Å; I48-M253 HydrophobicContact CG2-CG 4.31Å; I48-M253 HydrophobicContact CG2-SD 3.88Å; Y248-M253 HydrophobicContact CE2-CE 4.37Å; M253-I255 HydrophobicContact CE-CG1 4.33Å
254	R	97.8	Very high	97.2	Very high	31 Å²	31	26.9 Å²	26.9	12%	0.117	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.3	174.9	-60.1	169	-71.1	166.1	-5.7	108.5	T46 R47 I48 R252 F256 D500 L503	T46-R254 PolarHBondContact O-N 3.18Å; T46-R254 PolarHBondContact O-NE 2.74Å; T46-R254 VanDerWaalsContact O-NE 3.13Å; T46-R254 PolarHBondContact OG1-NH2 3.42Å; R47-R254 CarbonylContact C-O 3.47Å; R47-R254 VanDerWaalsContact CA-O 3.31Å; R47-R254 WeakPolarHBondContact CA-O 3.2Å; I48-R254 PolarHBondContact N-O 3.38Å; R252-R254 PolarHBondContact O-N 3.36Å; R254-F256 HydrophobicContact CB-CD2 4.41Å; R254-F256 HydrophobicContact CB-CE2 3.86Å; R254-D500 WeakPolarHBondContact CD-OD1 3.23Å; R254-D500 IonicContact CZ-OD1 2.7Å; R254-D500 IonicContact NE-OD1 3.39Å; R254-D500 PolarHBondContact NH1-O 3.46Å; R254-D500 IonicContact NH1-OD1 3.15Å; R254-D500 PolarHBondContact NH1-OD1 2.81Å; R254-D500 IonicContact NH1-OD2 2.67Å; R254-D500 PolarHBondContact NH1-OD2 2.83Å; R254-L503 HydrophobicContact CG-CD2 3.86Å
255	I	98.6	Very high	96.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.2	176.1	-57.1	173.6	0	0	0	107.3	V37 I48 I50 T244 Y248 M253 I257 V262	V37-I255 HydrophobicContact CG1-CD1 3.98Å; V37-I255 HydrophobicContact CG1-CG1 4.49Å; I48-I255 HydrophobicContact CG2-CB 4.19Å; I48-I255 HydrophobicContact CG2-CG1 3.82Å; I48-I255 HydrophobicContact CG2-CG2 4.19Å; I50-I255 HydrophobicContact CD1-CG2 4.1Å; T244-I255 HydrophobicContact CG2-CD1 4.26Å; T244-I255 HydrophobicContact CG2-CG2 4.34Å; Y248-I255 HydrophobicContact CE2-CD1 4.5Å; M253-I255 HydrophobicContact CE-CG1 4.33Å; I255-I257 HydrophobicContact CG2-CG1 4.32Å; I255-V262 HydrophobicContact CB-CB 4.09Å; I255-V262 HydrophobicContact CB-CG2 4.09Å; I255-V262 HydrophobicContact CG2-CB 4.31Å; I255-V262 HydrophobicContact CG2-CG2 3.76Å; I255-V262 WeakPolarHBondContact O-CB 3.48Å; I255-V262 PolarHBondContact O-N 2.95Å
256	F	98.5	Very high	96.7	Very high	18 Å²	18	31.9 Å²	31.9	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.4	170.8	-70.2	-107.2	0	0	0	108.2	R47 I48 D49 I50 R254 H260 K261	R47-F256 HydrophobicContact CG-CD2 3.9Å; R47-F256 HydrophobicContact CG-CE2 3.91Å; I48-F256 PolarHBondContact O-N 3.3Å; D49-F256 WeakPolarHBondContact OD1-CB 3.19Å; I50-F256 PolarHBondContact N-O 2.92Å; R254-F256 HydrophobicContact CB-CD2 4.41Å; R254-F256 HydrophobicContact CB-CE2 3.86Å; F256-H260 WeakPolarHBondContact CA-O 3.33Å; F256-K261 HydrophobicContact CD1-CB 3.83Å; F256-K261 HydrophobicContact CD1-CG 4.38Å; F256-K261 HydrophobicContact CE1-CB 3.59Å; F256-K261 HydrophobicContact CE1-CD 4.31Å; F256-K261 HydrophobicContact CE1-CG 3.97Å; F256-K261 HydrophobicContact CE2-CG 4.2Å; F256-K261 HydrophobicContact CG-CB 4.47Å; F256-K261 HydrophobicContact CZ-CB 4.03Å; F256-K261 HydrophobicContact CZ-CD 3.97Å; F256-K261 HydrophobicContact CZ-CG 3.87Å
257	I	98.7	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.5	176.1	-68.3	169.6	0	0	0	107.8	I50 I223 F240 R241 T244 I255 G259 H260 V262	I50-I257 HydrophobicContact CB-CG1 4.37Å; I50-I257 CarbonylContact O-C 3.53Å; I50-I257 VanDerWaalsContact O-CA 3.28Å; I50-I257 WeakPolarHBondContact O-CA 3.45Å; I223-I257 HydrophobicContact CD1-CG2 4.27Å; I223-I257 HydrophobicContact CG1-CG2 3.99Å; F240-I257 HydrophobicContact CB-CD1 4.44Å; F240-I257 HydrophobicContact CD1-CD1 3.59Å; F240-I257 HydrophobicContact CD1-CG1 4.29Å; F240-I257 HydrophobicContact CE1-CD1 4.22Å; F240-I257 HydrophobicContact CG-CD1 4.3Å; R241-I257 HydrophobicContact CB-CD1 4.12Å; R241-I257 PolarHBondContact NH2-O 3.47Å; T244-I257 HydrophobicContact CG2-CD1 4.37Å; I255-I257 HydrophobicContact CG2-CG1 4.32Å; I257-G259 PolarHBondContact O-N 3.05Å; I257-H260 PolarHBondContact N-O 2.84Å; I257-H260 PolarHBondContact O-N 3.37Å; I257-V262 HydrophobicContact CB-CG2 4.26Å; I257-V262 HydrophobicContact CD1-CG2 3.61Å; I257-V262 HydrophobicContact CG1-CG2 3.79Å
258	Q	97.6	Very high	96.3	Very high	30 Å²	30	33.1 Å²	33.1	14%	0.14	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	45.7	-173.4	-52.7	-67.4	22.5	0	0	112.2	I50 T52 H220 H260	I50-Q258 PolarHBondContact O-N 3.49Å; T52-Q258 PolarHBondContact OG1-NE2 3.41Å; T52-Q258 PolarHBondContact OG1-OE1 3.49Å; H220-Q258 WeakPolarHBondContact O-CB 3.43Å; H220-Q258 WeakPolarHBondContact O-CG 3.24Å; Q258-H260 PolarHBondContact O-N 2.83Å; Q258-H260 VanDerWaalsContact O-N 3.1Å; Q258-H260 PolarHBondContact O-ND1 3.12Å
259	G	95.5	Very high	96.1	Very high	49 Å²	49	33.4 Å²	33.4	51%	0.505	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	-6.5	-177	0	0	0	0	0	116.2	I257	I257-G259 PolarHBondContact O-N 3.05Å
260	H	96.4	Very high	96	Very high	75 Å²	75	34.3 Å²	34.3	35%	0.347	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.5	-176.9	-66.7	78.3	0	0	0	111.1	Q221 R241 F256 I257 Q258 V262	Q221-H260 HydrophobicContact CB-CB 4.45Å; Q221-H260 PolarHBondContact NE2-CD2 3.34Å; Q221-H260 PolarHBondContact NE2-NE2 3.47Å; R241-H260 PolarHBondContact NH2-O 2.84Å; F256-H260 WeakPolarHBondContact CA-O 3.33Å; I257-H260 PolarHBondContact N-O 2.84Å; I257-H260 PolarHBondContact O-N 3.37Å; Q258-H260 PolarHBondContact O-N 2.83Å; Q258-H260 VanDerWaalsContact O-N 3.1Å; Q258-H260 PolarHBondContact O-ND1 3.12Å; H260-V262 PolarHBondContact O-N 3.12Å
261	K	97.1	Very high	96.1	Very high	17 Å²	17	31 Å²	31	7%	0.074	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	134.9	-174	-166.4	174.4	173.9	173.2	0	111.8	R241 F256 D500 D521	R241-K261 PolarHBondContact NH1-O 3.02Å; F256-K261 HydrophobicContact CD1-CB 3.83Å; F256-K261 HydrophobicContact CD1-CG 4.38Å; F256-K261 HydrophobicContact CE1-CB 3.59Å; F256-K261 HydrophobicContact CE1-CD 4.31Å; F256-K261 HydrophobicContact CE1-CG 3.97Å; F256-K261 HydrophobicContact CE2-CG 4.2Å; F256-K261 HydrophobicContact CG-CB 4.47Å; F256-K261 HydrophobicContact CZ-CB 4.03Å; F256-K261 HydrophobicContact CZ-CD 3.97Å; F256-K261 HydrophobicContact CZ-CG 3.87Å; K261-D500 IonicContact NZ-OD1 2.72Å; K261-D500 PolarHBondContact NZ-OD1 2.92Å; K261-D521 HydrophobicContact CB-CB 3.7Å; K261-D521 HydrophobicContact CD-CB 4.01Å; K261-D521 WeakPolarHBondContact CD-O 3.45Å; K261-D521 HydrophobicContact CG-CB 4.49Å; K261-D521 PolarHBondContact NZ-O 3.46Å
262	V	97.1	Very high	96.1	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-78.7	125.8	170.7	179.9	0	0	0	0	108.6	A245 I255 I257 H260 T264	A245-V262 HydrophobicContact CB-CG1 3.84Å; I255-V262 HydrophobicContact CB-CB 4.09Å; I255-V262 HydrophobicContact CB-CG2 4.09Å; I255-V262 HydrophobicContact CG2-CB 4.31Å; I255-V262 HydrophobicContact CG2-CG2 3.76Å; I255-V262 WeakPolarHBondContact O-CB 3.48Å; I255-V262 PolarHBondContact O-N 2.95Å; I257-V262 HydrophobicContact CB-CG2 4.26Å; I257-V262 HydrophobicContact CD1-CG2 3.61Å; I257-V262 HydrophobicContact CG1-CG2 3.79Å; H260-V262 PolarHBondContact O-N 3.12Å; V262-T264 VanDerWaalsContact C-N 3.27Å; V262-T264 HydrophobicContact CG1-CG2 4.34Å; V262-T264 PolarHBondContact O-N 3.45Å
263	R	94.5	Very high	96.1	Very high	118 Å²	118	32.2 Å²	32.2	45%	0.445	16%	0.16	S	C	.	.			trans	-80.1	81	172.8	-64.5	-175.2	-173.4	-161	-0.1	109.3	A245 Y519 D521	A245-R263 WeakPolarHBondContact CB-O 3.37Å; R263-Y519 PolarHBondContact NH1-O 3.05Å; R263-Y519 PolarHBondContact NH2-O 3.32Å; R263-D521 IonicContact CZ-OD1 3.92Å; R263-D521 VanDerWaalsContact CZ-OD1 3.27Å; R263-D521 IonicContact NE-OD1 2.84Å; R263-D521 PolarHBondContact NE-OD1 3.4Å; R263-D521 IonicContact NH2-OD1 3.5Å; R263-D521 PolarHBondContact NH2-OD1 3.09Å
264	T	96.6	Very high	96.1	Very high	15 Å²	15	33 Å²	33	9%	0.092	17%	0.166	C	C	.	.			trans	-56.1	154	171.9	58.4	0	0	0	0	111.2	A245 P251 V262 W505	A245-T264 CarbonylContact O-C 3.4Å; A245-T264 WeakPolarHBondContact O-CA 3.34Å; P251-T264 HydrophobicContact CB-CG2 4.14Å; V262-T264 VanDerWaalsContact C-N 3.27Å; V262-T264 HydrophobicContact CG1-CG2 4.34Å; V262-T264 PolarHBondContact O-N 3.45Å; T264-W505 WeakPolarHBondContact O-CH2 3.46Å
265	K	92.3	Very high	96.1	Very high	96 Å²	96	35 Å²	35	42%	0.417	17%	0.173	S	C	.	.			trans	-143.6	121.1	-172.2	-64.6	169.8	-163.4	160.4	0	110.1	A245 L267	A245-K265 PolarHBondContact O-N 2.82Å; K265-L267 PolarHBondContact O-N 3.27Å; K265-L267 VanDerWaalsContact O-N 3.09Å
266	R	94.4	Very high	96	Very high	16 Å²	16	35.8 Å²	35.8	6%	0.06	18%	0.179	C	C	.	.			trans	-67.4	104.6	156.3	-65.7	-167.5	-61.8	-149	-1.2	107.3	I249 D250 S268 C269 W505 E540	I249-R266 WeakPolarHBondContact O-CG 3.15Å; D250-R266 WeakPolarHBondContact OD1-CD 3.48Å; R266-S268 PolarHBondContact O-N 3.1Å; R266-C269 WeakPolarHBondContact CB-SG 3.2Å; R266-C269 WeakPolarHBondContact O-CB 3.47Å; R266-C269 PolarHBondContact O-N 3.11Å; R266-C269 PolarHBondContact O-SG 2.64Å; R266-C269 VanDerWaalsContact O-SG 3.41Å; R266-W505 VanDerWaalsContact NH2-CB 3.3Å; R266-E540 IonicContact CZ-OE1 2.78Å; R266-E540 IonicContact NH1-OE1 3.2Å; R266-E540 PolarHBondContact NH1-OE1 3.4Å
267	L	94.5	Very high	96	Very high	18 Å²	18	35 Å²	35	9%	0.094	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.9	-31.7	-167.2	-175.8	57.8	0	0	0	112.9	K265 C269 C270 L271 F383 V411 V413	K265-L267 PolarHBondContact O-N 3.27Å; K265-L267 VanDerWaalsContact O-N 3.09Å; L267-C269 PolarHBondContact O-N 2.66Å; L267-C270 WeakPolarHBondContact O-CB 3.21Å; L267-C270 PolarHBondContact O-N 2.72Å; L267-L271 WeakPolarHBondContact O-CG 3.16Å; L267-F383 HydrophobicContact CD2-CB 4.04Å; L267-F383 HydrophobicContact CD2-CD1 3.61Å; L267-F383 HydrophobicContact CD2-CD2 3.57Å; L267-F383 HydrophobicContact CD2-CE1 3.85Å; L267-F383 HydrophobicContact CD2-CE2 3.83Å; L267-F383 HydrophobicContact CD2-CG 3.46Å; L267-F383 VanDerWaalsContact CD2-CG 3.46Å; L267-F383 HydrophobicContact CD2-CZ 3.95Å; L267-V411 HydrophobicContact CD2-CG1 3.85Å; L267-V411 HydrophobicContact CG-CG1 4.11Å; L267-V413 HydrophobicContact CB-CG2 4.25Å; L267-V413 HydrophobicContact CD2-CG2 4.04Å; L267-V413 HydrophobicContact CG-CG2 4.14Å
268	S	94.6	Very high	95.8	Very high	12 Å²	12	40.6 Å²	40.6	8%	0.084	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-60.2	-26.2	174	51	0	0	0	0	114.4	R266 C270	R266-S268 PolarHBondContact O-N 3.1Å; S268-C270 VanDerWaalsContact C-N 3.34Å
269	C	93.3	Very high	95.7	Very high	10 Å²	10	41 Å²	41	7%	0.068	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-75.9	-23.2	175	-46.1	0	0	0	0	112.9	R266 L267 L271 T496 Q543	R266-C269 WeakPolarHBondContact CB-SG 3.2Å; R266-C269 WeakPolarHBondContact O-CB 3.47Å; R266-C269 PolarHBondContact O-N 3.11Å; R266-C269 PolarHBondContact O-SG 2.64Å; R266-C269 VanDerWaalsContact O-SG 3.41Å; L267-C269 PolarHBondContact O-N 2.66Å; C269-L271 VanDerWaalsContact C-N 3.28Å; C269-L271 PolarHBondContact O-N 2.77Å; C269-T496 HydrophobicContact CB-CG2 4.12Å; C269-Q543 PolarHBondContact SG-NE2 3.36Å; C269-Q543 PolarHBondContact SG-OE1 2.68Å
270	C	94.3	Very high	95.6	Very high	38 Å²	38	42.7 Å²	42.7	26%	0.257	20%	0.204	S	C	.	.	S	Bend	trans	-91.9	19.9	-165.6	-59	0	0	0	0	113.2	L267 S268	L267-C270 WeakPolarHBondContact O-CB 3.21Å; L267-C270 PolarHBondContact O-N 2.72Å; S268-C270 VanDerWaalsContact C-N 3.34Å
271	L	96.4	Very high	95.4	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	19%	0.191	C	C	.	.	S	Bend	trans	-132.3	148.6	-166.1	-57.9	170.9	0	0	0	111	L267 C269 P274 N373 V411	L267-L271 WeakPolarHBondContact O-CG 3.16Å; C269-L271 VanDerWaalsContact C-N 3.28Å; C269-L271 PolarHBondContact O-N 2.77Å; L271-P274 WeakPolarHBondContact O-CD 3.17Å; L271-N373 HydrophobicContact CD2-CB 3.88Å; L271-V411 HydrophobicContact CD1-CB 3.83Å; L271-V411 HydrophobicContact CD1-CG1 3.94Å; L271-V411 HydrophobicContact CD2-CB 3.78Å; L271-V411 HydrophobicContact CD2-CG1 4.4Å; L271-V411 HydrophobicContact CD2-CG2 3.93Å; L271-V411 HydrophobicContact CG-CB 4.48Å
272	Y	96.7	Very high	95.1	Very high	17 Å²	17	43.9 Å²	43.9	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.9	171.4	163.9	-105.4	0	0	0	110.9	V372 I374 Y450 I456 F464 F468 E492	Y272-V372 HydrophobicContact CD1-CB 3.94Å; Y272-V372 HydrophobicContact CD1-CG2 3.87Å; Y272-V372 PolarHBondContact N-O 2.7Å; Y272-V372 PolarHBondContact O-N 3.01Å; Y272-I374 HydrophobicContact CD1-CG2 4.37Å; Y272-I374 HydrophobicContact CG-CG2 4.28Å; Y272-Y450 PolarHBondContact O-OH 3.07Å; Y272-I456 HydrophobicContact CE1-CD1 4.47Å; Y272-F464 HydrophobicContact CD1-CE2 4.16Å; Y272-F464 AromaticContact CD1-CZ 3.97Å; Y272-F464 HydrophobicContact CD1-CZ 3.97Å; Y272-F464 AromaticContact CE1-CE2 3.45Å; Y272-F464 HydrophobicContact CE1-CE2 3.45Å; Y272-F464 VanDerWaalsContact CE1-CE2 3.45Å; Y272-F464 AromaticContact CE1-CZ 3.72Å; Y272-F464 HydrophobicContact CE1-CZ 3.72Å; Y272-F464 AromaticContact CZ-CE2 3.91Å; Y272-F468 HydrophobicContact CE2-CZ 4.38Å; Y272-E492 HydrophobicContact CD2-CB 3.99Å; Y272-E492 HydrophobicContact CD2-CG 4.34Å; Y272-E492 WeakPolarHBondContact CD2-OE2 3.45Å; Y272-E492 HydrophobicContact CE2-CG 4.43Å; Y272-E492 VanDerWaalsContact CE2-OE2 3.23Å; Y272-E492 WeakPolarHBondContact CE2-OE2 3.42Å
273	K	95.4	Very high	94.7	Very high	101 Å²	101	46 Å²	46	44%	0.439	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	43.6	63	178.8	-70.6	178	-173.3	152.4	0	113.2	Y450	K273-Y450 WeakPolarHBondContact O-CE2 3.4Å; K273-Y450 PolarHBondContact O-OH 2.84Å
274	P	96.9	Very high	94.5	Very high	25 Å²	25	41.9 Å²	41.9	16%	0.162	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	138.1	170.9	27.3	-34	0	0	0	110.4	L271 I369 F370 F545	L271-P274 WeakPolarHBondContact O-CD 3.17Å; P274-I369 HydrophobicContact CB-CG2 4.4Å; P274-F370 CarbonylContact C-O 3.57Å; P274-F370 VanDerWaalsContact CA-O 3.23Å; P274-F370 WeakPolarHBondContact CA-O 3.42Å; P274-F545 HydrophobicContact CB-CD1 3.67Å; P274-F545 HydrophobicContact CB-CE1 3.8Å; P274-F545 HydrophobicContact CB-CG 4.24Å; P274-F545 HydrophobicContact CB-CZ 4.47Å; P274-F545 HydrophobicContact CG-CD1 3.44Å; P274-F545 VanDerWaalsContact CG-CD1 3.44Å; P274-F545 HydrophobicContact CG-CE1 3.49Å; P274-F545 VanDerWaalsContact CG-CE1 3.49Å; P274-F545 HydrophobicContact CG-CG 4.44Å
275	R	97.8	Very high	94.4	Very high	71 Å²	71	46.5 Å²	46.5	27%	0.268	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.5	174	-75.5	-175.1	160.1	-127.2	-11.2	110.1	Y277 I369 F370 Y450 D453 P546	R275-Y277 HydrophobicContact CB-CE2 3.78Å; R275-I369 CarbonylContact O-C 3.55Å; R275-I369 VanDerWaalsContact O-CA 3.31Å; R275-I369 WeakPolarHBondContact O-CA 3.39Å; R275-F370 PolarHBondContact N-O 3.05Å; R275-F370 PolarHBondContact O-N 2.7Å; R275-Y450 HydrophobicContact CB-CD2 3.93Å; R275-Y450 HydrophobicContact CB-CE2 3.95Å; R275-Y450 HydrophobicContact CG-CD2 4.3Å; R275-Y450 HydrophobicContact CG-CE2 4.06Å; R275-D453 IonicContact CZ-OD2 3.05Å; R275-D453 IonicContact NH1-OD2 2.7Å; R275-D453 PolarHBondContact NH1-OD2 2.86Å; R275-P546 WeakPolarHBondContact CA-O 3.08Å; R275-P546 HydrophobicContact CG-CB 4.46Å
276	V	97.6	Very high	94.4	Very high	19 Å²	19	45 Å²	45	12%	0.115	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.4	176.3	64.7	0	0	0	0	111.2	N367 F368 I369 F545 P546 V547 G548	V276-N367 HydrophobicContact CG2-CB 3.89Å; V276-F368 CarbonylContact C-O 3.54Å; V276-F368 WeakPolarHBondContact CA-O 3.46Å; V276-I369 HydrophobicContact CB-CG1 4.2Å; V276-I369 HydrophobicContact CG2-CG1 3.99Å; V276-F545 HydrophobicContact CB-CB 4.41Å; V276-F545 HydrophobicContact CG1-CB 4.29Å; V276-P546 PolarHBondContact N-O 2.89Å; V276-P546 VanDerWaalsContact N-O 3.08Å; V276-V547 HydrophobicContact CG1-CB 4.43Å; V276-V547 HydrophobicContact CG1-CG2 3.95Å; V276-V547 CarbonylContact O-C 3.56Å; V276-V547 WeakPolarHBondContact O-CA 3.33Å; V276-G548 PolarHBondContact O-N 2.75Å
277	Y	97.5	Very high	94.3	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.2	173.9	-61	-103.4	0	0	0	108.5	R275 F368 F370 Q449 Y450 D453 G548	R275-Y277 HydrophobicContact CB-CE2 3.78Å; Y277-F368 PolarHBondContact N-O 3.06Å; Y277-F368 PolarHBondContact O-N 2.83Å; Y277-F370 AromaticContact CD2-CD2 3.69Å; Y277-F370 HydrophobicContact CD2-CD2 3.69Å; Y277-F370 HydrophobicContact CD2-CE2 4.06Å; Y277-F370 AromaticContact CE2-CD2 3.92Å; Y277-F370 HydrophobicContact CE2-CD2 3.92Å; Y277-Q449 HydrophobicContact CE1-CB 4.37Å; Y277-Q449 HydrophobicContact CE1-CG 3.89Å; Y277-Y450 HydrophobicContact CE2-CD2 4.06Å; Y277-Y450 WeakPolarHBondContact OH-CA 3.19Å; Y277-D453 PolarHBondContact OH-OD2 2.98Å; Y277-D453 VanDerWaalsContact OH-OD2 3.04Å; Y277-G548 WeakPolarHBondContact CD1-O 3.49Å; Y277-G548 VanDerWaalsContact CE1-C 3.44Å; Y277-G548 VanDerWaalsContact CE1-CA 3.42Å
278	K	95.8	Very high	94.2	Very high	118 Å²	118	47.1 Å²	47.1	51%	0.513	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.8	176.2	-67.7	-172.7	169.2	-161.4	0	110.2	D365	K278-D365 HydrophobicContact CB-CB 4.29Å
279	Y	95.3	Very high	94.2	Very high	37 Å²	37	49.8 Å²	49.8	15%	0.145	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	104.9	174.2	165.1	-99.7	0	0	0	109.7	S281 D365 L366 F368 H438 A442 H446	Y279-S281 PolarHBondContact O-N 2.83Å; Y279-D365 CarbonylContact O-C 3.56Å; Y279-D365 WeakPolarHBondContact O-CA 3.42Å; Y279-L366 HydrophobicContact CD1-CB 4.24Å; Y279-L366 HydrophobicContact CD1-CD1 4.14Å; Y279-L366 HydrophobicContact CD1-CG 4.33Å; Y279-L366 HydrophobicContact CE1-CD1 4.36Å; Y279-L366 PolarHBondContact N-O 3.11Å; Y279-L366 PolarHBondContact O-N 3.48Å; Y279-F368 VanDerWaalsContact CB-CE2 3.45Å; Y279-F368 HydrophobicContact CD1-CE1 4.15Å; Y279-F368 HydrophobicContact CD1-CE2 4.19Å; Y279-F368 AromaticContact CD1-CZ 3.5Å; Y279-F368 HydrophobicContact CD1-CZ 3.5Å; Y279-F368 VanDerWaalsContact CD1-CZ 3.5Å; Y279-F368 HydrophobicContact CD2-CE2 4.23Å; Y279-F368 HydrophobicContact CD2-CZ 4.3Å; Y279-F368 HydrophobicContact CE1-CZ 4.28Å; Y279-F368 HydrophobicContact CG-CE1 4.38Å; Y279-F368 AromaticContact CG-CE2 3.7Å; Y279-F368 HydrophobicContact CG-CE2 3.7Å; Y279-F368 AromaticContact CG-CZ 3.5Å; Y279-F368 HydrophobicContact CG-CZ 3.5Å; Y279-H438 PolarHBondContact OH-CD2 2.86Å; Y279-H438 VanDerWaalsContact OH-CD2 3.24Å; Y279-H438 PolarHBondContact OH-NE2 2.9Å; Y279-A442 HydrophobicContact CD2-CB 4.04Å; Y279-A442 HydrophobicContact CE2-CB 3.66Å; Y279-H446 AromaticContact CD2-CE1 3.96Å
280	S	93.3	Very high	94.2	Very high	85 Å²	85	54.8 Å²	54.8	59%	0.594	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	117.2	177.2	-51.1	0	0	0	0	111	D365	S280-D365 WeakPolarHBondContact CA-OD1 3.4Å; S280-D365 VanDerWaalsContact CB-OD1 3.25Å; S280-D365 WeakPolarHBondContact CB-OD1 3.46Å; S280-D365 PolarHBondContact OG-OD1 3Å
281	S	91.9	Very high	94.1	Very high	9 Å²	9	54.6 Å²	54.6	6%	0.063	27%	0.267	C	S	.	.			trans	-97.5	116.9	-176.4	177.7	0	0	0	0	111.3	Y279 R283 F284 K285 K364	Y279-S281 PolarHBondContact O-N 2.83Å; S281-R283 VanDerWaalsContact C-N 3.34Å; S281-R283 PolarHBondContact O-N 3.25Å; S281-F284 PolarHBondContact O-N 3.09Å; S281-F284 PolarHBondContact OG-N 3.05Å; S281-K285 PolarHBondContact O-N 2.8Å; S281-K285 VanDerWaalsContact O-N 3.12Å; S281-K364 PolarHBondContact N-O 3Å
282	T	90.3	Very high	94	Very high	109 Å²	109	55.3 Å²	55.3	67%	0.669	27%	0.272	S	S	*	.	H	α-helix	trans	-59.9	-44	174	49.7	0	0	0	0	111.5	F284 K285 T286	T282-F284 VanDerWaalsContact C-N 3.34Å; T282-F284 PolarHBondContact O-N 3.03Å; T282-K285 PolarHBondContact O-N 2.95Å; T282-T286 PolarHBondContact O-N 3.48Å; T282-T286 PolarHBondContact O-OG1 3.36Å
283	R	89.9	Confident	94	Very high	48 Å²	48	61.9 Å²	61.9	18%	0.181	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-39.6	176.5	177.3	168.8	165	133.6	-22.6	112.7	S281 R287 V420 D432	S281-R283 VanDerWaalsContact C-N 3.34Å; S281-R283 PolarHBondContact O-N 3.25Å; R283-R287 WeakPolarHBondContact O-CB 3.48Å; R283-R287 PolarHBondContact O-N 2.59Å; R283-R287 VanDerWaalsContact O-N 3.1Å; R283-V420 PolarHBondContact NE-O 2.72Å; R283-V420 PolarHBondContact NH2-O 2.65Å; R283-D432 IonicContact CZ-OD2 3.76Å; R283-D432 IonicContact NH1-OD2 2.67Å; R283-D432 PolarHBondContact NH1-OD2 3.44Å; R283-D432 IonicContact NH2-OD2 3.51Å; R283-D432 PolarHBondContact NH2-OD2 2.86Å
284	F	90.7	Very high	93.9	Very high	31 Å²	31	62.2 Å²	62.2	14%	0.136	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-47	175.3	-167.2	-174.9	0	0	0	111	S281 T282 A288 K364 L366 P417 L419 V420	S281-F284 PolarHBondContact O-N 3.09Å; S281-F284 PolarHBondContact OG-N 3.05Å; T282-F284 VanDerWaalsContact C-N 3.34Å; T282-F284 PolarHBondContact O-N 3.03Å; F284-A288 WeakPolarHBondContact O-CB 3.27Å; F284-A288 PolarHBondContact O-N 2.61Å; F284-A288 VanDerWaalsContact O-N 3.11Å; F284-K364 HydrophobicContact CB-CB 4.15Å; F284-K364 VanDerWaalsContact CD1-C 3.5Å; F284-K364 HydrophobicContact CD1-CB 3.82Å; F284-K364 HydrophobicContact CD1-CD 4.08Å; F284-K364 HydrophobicContact CD2-CD 3.7Å; F284-K364 HydrophobicContact CE1-CB 4.36Å; F284-K364 HydrophobicContact CE1-CD 4.03Å; F284-K364 HydrophobicContact CE2-CD 3.65Å; F284-K364 HydrophobicContact CG-CB 3.94Å; F284-K364 HydrophobicContact CG-CD 3.91Å; F284-K364 HydrophobicContact CG-CG 4.48Å; F284-K364 HydrophobicContact CZ-CD 3.81Å; F284-L366 HydrophobicContact CD1-CD2 4.4Å; F284-P417 HydrophobicContact CD2-CG 4.46Å; F284-P417 HydrophobicContact CE1-CG 4.16Å; F284-P417 HydrophobicContact CE2-CG 3.92Å; F284-P417 HydrophobicContact CZ-CG 3.76Å; F284-L419 HydrophobicContact CD2-CB 4.5Å; F284-L419 HydrophobicContact CD2-CD2 4.08Å; F284-L419 HydrophobicContact CE2-CD2 4.07Å; F284-V420 HydrophobicContact CB-CG2 3.42Å; F284-V420 VanDerWaalsContact CB-CG2 3.42Å; F284-V420 HydrophobicContact CD1-CG2 4.09Å; F284-V420 HydrophobicContact CD2-CG2 3.8Å; F284-V420 HydrophobicContact CG-CG2 3.51Å
285	K	92.8	Very high	93.8	Very high	112 Å²	112	61.3 Å²	61.3	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-55.3	176.2	178.8	173.1	170.2	174.9	0	112	S281 T282 R287 A288 E289 K364	S281-K285 PolarHBondContact O-N 2.8Å; S281-K285 VanDerWaalsContact O-N 3.12Å; T282-K285 PolarHBondContact O-N 2.95Å; K285-R287 VanDerWaalsContact C-N 3.32Å; K285-R287 PolarHBondContact O-N 2.72Å; K285-A288 WeakPolarHBondContact O-CB 3.49Å; K285-A288 PolarHBondContact O-N 3.42Å; K285-A288 VanDerWaalsContact O-N 3.09Å; K285-E289 WeakPolarHBondContact CE-OE1 3.49Å; K285-E289 HydrophobicContact CG-CG 4.41Å; K285-E289 IonicContact NZ-OE1 3.16Å; K285-E289 WeakPolarHBondContact O-CG 3.4Å; K285-E289 PolarHBondContact O-N 2.86Å; K285-K364 HydrophobicContact CB-CB 4.15Å; K285-K364 HydrophobicContact CB-CG 4.29Å
286	T	93.8	Very high	93.8	Very high	65 Å²	65	60.3 Å²	60.3	40%	0.399	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-37.6	-175.7	-58.7	0	0	0	0	113	T282 E289 Q290	T282-T286 PolarHBondContact O-N 3.48Å; T282-T286 PolarHBondContact O-OG1 3.36Å; T286-E289 WeakPolarHBondContact CA-OE2 3.4Å; T286-E289 PolarHBondContact O-N 3.42Å; T286-Q290 VanDerWaalsContact O-CG 3.3Å; T286-Q290 WeakPolarHBondContact O-CG 3.44Å; T286-Q290 PolarHBondContact O-N 3.32Å
287	R	92.1	Very high	93.7	Very high	66 Å²	66	65 Å²	65	25%	0.249	32%	0.317	C	S	.	.	H	α-helix	trans	-73.3	-32	175.9	-75.7	178.4	160.5	-158.3	-10.2	113.1	R283 K285 Q290 E291 L419	R283-R287 WeakPolarHBondContact O-CB 3.48Å; R283-R287 PolarHBondContact O-N 2.59Å; R283-R287 VanDerWaalsContact O-N 3.1Å; K285-R287 VanDerWaalsContact C-N 3.32Å; K285-R287 PolarHBondContact O-N 2.72Å; R287-Q290 PolarHBondContact O-N 3.26Å; R287-E291 PolarHBondContact O-N 3Å; R287-L419 HydrophobicContact CB-CD1 3.79Å; R287-L419 HydrophobicContact CB-CD2 4.49Å; R287-L419 HydrophobicContact CB-CG 3.83Å; R287-L419 WeakPolarHBondContact CD-O 3.39Å; R287-L419 PolarHBondContact NH1-O 2.76Å
288	A	91.8	Very high	93.6	Very high	11 Å²	11	68.5 Å²	68.5	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-38.9	171.3	0	0	0	0	0	111.8	F284 K285 Q290 E291 V292 L360 K364 L419	F284-A288 WeakPolarHBondContact O-CB 3.27Å; F284-A288 PolarHBondContact O-N 2.61Å; F284-A288 VanDerWaalsContact O-N 3.11Å; K285-A288 WeakPolarHBondContact O-CB 3.49Å; K285-A288 PolarHBondContact O-N 3.42Å; K285-A288 VanDerWaalsContact O-N 3.09Å; A288-Q290 VanDerWaalsContact C-N 3.34Å; A288-Q290 PolarHBondContact O-N 3.06Å; A288-E291 PolarHBondContact O-N 3.34Å; A288-V292 WeakPolarHBondContact O-CG2 3.12Å; A288-V292 PolarHBondContact O-N 2.99Å; A288-L360 HydrophobicContact CB-CD1 3.74Å; A288-K364 HydrophobicContact CB-CD 4.17Å; A288-L419 HydrophobicContact CB-CD2 3.95Å
289	E	94.5	Very high	93.7	Very high	68 Å²	68	63.3 Å²	63.3	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-39.1	172.7	-67.5	168.4	154.5	0	0	111.8	K285 T286 V292 K293 L360	K285-E289 WeakPolarHBondContact CE-OE1 3.49Å; K285-E289 HydrophobicContact CG-CG 4.41Å; K285-E289 IonicContact NZ-OE1 3.16Å; K285-E289 WeakPolarHBondContact O-CG 3.4Å; K285-E289 PolarHBondContact O-N 2.86Å; T286-E289 WeakPolarHBondContact CA-OE2 3.4Å; T286-E289 PolarHBondContact O-N 3.42Å; E289-V292 PolarHBondContact O-N 3.4Å; E289-K293 WeakPolarHBondContact O-CG 3.39Å; E289-K293 PolarHBondContact O-N 2.84Å; E289-L360 HydrophobicContact CG-CD1 3.88Å; E289-L360 HydrophobicContact CG-CD2 4.16Å
290	Q	94.1	Very high	93.8	Very high	115 Å²	115	67.2 Å²	67.2	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-44.7	175	-74.1	168.4	-20.4	0	0	112.7	T286 R287 A288 V292 K293 K294	T286-Q290 VanDerWaalsContact O-CG 3.3Å; T286-Q290 WeakPolarHBondContact O-CG 3.44Å; T286-Q290 PolarHBondContact O-N 3.32Å; R287-Q290 PolarHBondContact O-N 3.26Å; A288-Q290 VanDerWaalsContact C-N 3.34Å; A288-Q290 PolarHBondContact O-N 3.06Å; Q290-V292 VanDerWaalsContact C-N 3.34Å; Q290-V292 PolarHBondContact O-N 3.43Å; Q290-K293 PolarHBondContact O-N 3.18Å; Q290-K294 WeakPolarHBondContact O-CB 3.43Å; Q290-K294 PolarHBondContact O-N 3.34Å
291	E	91.4	Very high	93.9	Very high	34 Å²	34	65.7 Å²	65.7	16%	0.159	32%	0.317	C	S	.	.	H	α-helix	trans	-67.9	-31	177.1	-87.4	-66	135.6	0	0	113.2	P92 R287 A288 K294 A295 K356 L419	P92-E291 HydrophobicContact CB-CG 4.44Å; R287-E291 PolarHBondContact O-N 3Å; A288-E291 PolarHBondContact O-N 3.34Å; E291-K294 WeakPolarHBondContact OE1-CD 3.11Å; E291-K294 IonicContact OE1-NZ 2.68Å; E291-K294 PolarHBondContact OE1-NZ 3.31Å; E291-K294 IonicContact OE2-NZ 2.91Å; E291-A295 WeakPolarHBondContact O-CB 3.4Å; E291-A295 PolarHBondContact O-N 3.24Å; E291-K356 IonicContact OE2-NZ 2.82Å; E291-K356 PolarHBondContact OE2-NZ 3.42Å; E291-L419 HydrophobicContact CG-CD1 4.39Å
292	V	94.5	Very high	94.1	Very high	19 Å²	19	65.4 Å²	65.4	12%	0.115	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-48.9	169.3	167.1	0	0	0	0	111.4	A288 E289 Q290 K294 A295 D296 L353 K356 Q357 L360	A288-V292 WeakPolarHBondContact O-CG2 3.12Å; A288-V292 PolarHBondContact O-N 2.99Å; E289-V292 PolarHBondContact O-N 3.4Å; Q290-V292 VanDerWaalsContact C-N 3.34Å; Q290-V292 PolarHBondContact O-N 3.43Å; V292-K294 VanDerWaalsContact C-N 3.27Å; V292-K294 PolarHBondContact O-N 3.06Å; V292-A295 PolarHBondContact O-N 3.27Å; V292-D296 WeakPolarHBondContact O-CB 3.31Å; V292-D296 PolarHBondContact O-N 3.2Å; V292-L353 HydrophobicContact CG1-CD1 4.28Å; V292-K356 HydrophobicContact CG2-CB 3.77Å; V292-K356 WeakPolarHBondContact CG2-O 3.48Å; V292-Q357 HydrophobicContact CG1-CG 3.84Å; V292-L360 HydrophobicContact CB-CD2 4.24Å; V292-L360 HydrophobicContact CG1-CD2 4.4Å; V292-L360 HydrophobicContact CG2-CB 4.05Å; V292-L360 HydrophobicContact CG2-CD2 3.88Å
293	K	96.2	Very high	94.5	Very high	156 Å²	156	63 Å²	63	68%	0.678	30%	0.296	S	S	*	.	H	α-helix	trans	-58.2	-39.5	177.6	-76.2	-177.5	176.1	-167.3	0	112.6	E289 Q290 D296 H297	E289-K293 WeakPolarHBondContact O-CG 3.39Å; E289-K293 PolarHBondContact O-N 2.84Å; Q290-K293 PolarHBondContact O-N 3.18Å; K293-D296 PolarHBondContact O-N 2.96Å; K293-H297 PolarHBondContact O-N 2.91Å; K293-H297 VanDerWaalsContact O-N 3.08Å
294	K	94.8	Very high	94.8	Very high	108 Å²	108	66.6 Å²	66.6	47%	0.47	32%	0.316	S	S	.	.	H	α-helix	trans	-66.9	-40.8	176.6	177.2	176.6	157.1	-159.8	0	112.3	Q290 E291 V292 L298	Q290-K294 WeakPolarHBondContact O-CB 3.43Å; Q290-K294 PolarHBondContact O-N 3.34Å; E291-K294 WeakPolarHBondContact OE1-CD 3.11Å; E291-K294 IonicContact OE1-NZ 2.68Å; E291-K294 PolarHBondContact OE1-NZ 3.31Å; E291-K294 IonicContact OE2-NZ 2.91Å; V292-K294 VanDerWaalsContact C-N 3.27Å; V292-K294 PolarHBondContact O-N 3.06Å; K294-L298 HydrophobicContact CG-CD1 4.18Å; K294-L298 WeakPolarHBondContact O-CB 3.38Å; K294-L298 VanDerWaalsContact O-CG 3.26Å; K294-L298 WeakPolarHBondContact O-CG 3.38Å; K294-L298 PolarHBondContact O-N 3.33Å; K294-L298 VanDerWaalsContact O-N 3.08Å
295	A	94.2	Very high	95.1	Very high	6 Å²	6	69.9 Å²	69.9	5%	0.05	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-37.7	173.6	0	0	0	0	0	112.3	E291 V292 L298 A299 L353 K356	E291-A295 WeakPolarHBondContact O-CB 3.4Å; E291-A295 PolarHBondContact O-N 3.24Å; V292-A295 PolarHBondContact O-N 3.27Å; A295-L298 PolarHBondContact O-N 3.32Å; A295-A299 VanDerWaalsContact O-CB 3.31Å; A295-A299 WeakPolarHBondContact O-CB 3.21Å; A295-A299 PolarHBondContact O-N 3.37Å; A295-L353 HydrophobicContact CB-CB 4.33Å; A295-L353 HydrophobicContact CB-CD1 4.08Å; A295-K356 HydrophobicContact CB-CD 3.88Å
296	D	97.1	Very high	95.3	Very high	50 Å²	50	64.6 Å²	64.6	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-49.7	177.4	173	68.9	0	0	0	111.6	V292 K293 A299 K300 L353	V292-D296 WeakPolarHBondContact O-CB 3.31Å; V292-D296 PolarHBondContact O-N 3.2Å; K293-D296 PolarHBondContact O-N 2.96Å; D296-A299 PolarHBondContact O-N 3.31Å; D296-K300 WeakPolarHBondContact O-CB 3.28Å; D296-K300 VanDerWaalsContact O-CG 3.31Å; D296-K300 WeakPolarHBondContact O-CG 3.42Å; D296-K300 PolarHBondContact O-N 3.48Å; D296-K300 WeakPolarHBondContact OD1-CE 3.44Å; D296-K300 IonicContact OD1-NZ 3.06Å; D296-K300 PolarHBondContact OD1-NZ 2.52Å; D296-K300 WeakPolarHBondContact OD2-CE 3.43Å; D296-K300 IonicContact OD2-NZ 2.62Å; D296-K300 PolarHBondContact OD2-NZ 3.38Å; D296-L353 HydrophobicContact CB-CD1 3.82Å; D296-L353 HydrophobicContact CB-CD2 4.23Å
297	H	96.8	Very high	95.5	Very high	117 Å²	117	68.2 Å²	68.2	54%	0.542	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-43.8	174.5	179.4	71.7	0	0	0	112.5	K293 A299 K300 I301	K293-H297 PolarHBondContact O-N 2.91Å; K293-H297 VanDerWaalsContact O-N 3.08Å; H297-A299 PolarHBondContact O-N 3.12Å; H297-K300 PolarHBondContact O-N 3.21Å; H297-I301 WeakPolarHBondContact NE2-CD1 3.42Å; H297-I301 WeakPolarHBondContact O-CG1 3.37Å; H297-I301 PolarHBondContact O-N 2.89Å; H297-I301 VanDerWaalsContact O-N 3.08Å
298	L	94.7	Very high	95.7	Very high	75 Å²	75	69.9 Å²	69.9	39%	0.393	32%	0.324	S	S	.	.	H	α-helix	trans	-68.3	-30.4	178.3	-74.2	171.6	0	0	0	113.9	K294 A295 A302 R349	K294-L298 HydrophobicContact CG-CD1 4.18Å; K294-L298 WeakPolarHBondContact O-CB 3.38Å; K294-L298 VanDerWaalsContact O-CG 3.26Å; K294-L298 WeakPolarHBondContact O-CG 3.38Å; K294-L298 PolarHBondContact O-N 3.33Å; K294-L298 VanDerWaalsContact O-N 3.08Å; A295-L298 PolarHBondContact O-N 3.32Å; L298-A302 PolarHBondContact O-N 3.06Å; L298-R349 PolarHBondContact O-NH1 2.92Å
299	A	96.9	Very high	95.8	Very high	8 Å²	8	69.9 Å²	69.9	7%	0.066	32%	0.323	C	S	.	.	H	α-helix	trans	-73.5	-44.5	173.6	0	0	0	0	0	111	A295 D296 H297 I301 A302 E303 R349 L353	A295-A299 VanDerWaalsContact O-CB 3.31Å; A295-A299 WeakPolarHBondContact O-CB 3.21Å; A295-A299 PolarHBondContact O-N 3.37Å; D296-A299 PolarHBondContact O-N 3.31Å; H297-A299 PolarHBondContact O-N 3.12Å; A299-I301 PolarHBondContact O-N 2.94Å; A299-A302 PolarHBondContact O-N 3.14Å; A299-A302 VanDerWaalsContact O-N 3.14Å; A299-E303 WeakPolarHBondContact O-CB 3.37Å; A299-E303 PolarHBondContact O-N 3.38Å; A299-R349 HydrophobicContact CB-CB 4.06Å; A299-L353 HydrophobicContact CB-CD2 4.19Å
300	K	97.4	Very high	95.9	Very high	120 Å²	120	69.6 Å²	69.6	52%	0.522	32%	0.322	S	S	.	.	H	α-helix	trans	-57.5	-46.9	176.3	-75.8	167	177.2	167.8	0	112.6	D296 H297 A302 E303 E304	D296-K300 WeakPolarHBondContact O-CB 3.28Å; D296-K300 VanDerWaalsContact O-CG 3.31Å; D296-K300 WeakPolarHBondContact O-CG 3.42Å; D296-K300 PolarHBondContact O-N 3.48Å; D296-K300 WeakPolarHBondContact OD1-CE 3.44Å; D296-K300 IonicContact OD1-NZ 3.06Å; D296-K300 PolarHBondContact OD1-NZ 2.52Å; D296-K300 WeakPolarHBondContact OD2-CE 3.43Å; D296-K300 IonicContact OD2-NZ 2.62Å; D296-K300 PolarHBondContact OD2-NZ 3.38Å; H297-K300 PolarHBondContact O-N 3.21Å; K300-A302 VanDerWaalsContact C-N 3.27Å; K300-A302 PolarHBondContact O-N 3.13Å; K300-E303 PolarHBondContact O-N 3.23Å; K300-E304 WeakPolarHBondContact O-CB 3.48Å; K300-E304 PolarHBondContact O-N 3.49Å
301	I	96.8	Very high	95.9	Very high	52 Å²	52	67.8 Å²	67.8	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-34.4	176.8	-70.7	168.5	0	0	0	112.3	H297 A299 K305	H297-I301 WeakPolarHBondContact NE2-CD1 3.42Å; H297-I301 WeakPolarHBondContact O-CG1 3.37Å; H297-I301 PolarHBondContact O-N 2.89Å; H297-I301 VanDerWaalsContact O-N 3.08Å; A299-I301 PolarHBondContact O-N 2.94Å; I301-K305 HydrophobicContact CG2-CD 4.18Å; I301-K305 WeakPolarHBondContact O-CD 3.35Å; I301-K305 VanDerWaalsContact O-CG 3.26Å; I301-K305 WeakPolarHBondContact O-CG 3.31Å; I301-K305 PolarHBondContact O-N 3.39Å
302	A	96.1	Very high	96	Very high	4 Å²	4	71.3 Å²	71.3	3%	0.033	34%	0.337	C	S	.	.	H	α-helix	trans	-77.8	-42.4	179.1	0	0	0	0	0	111.9	L298 A299 K300 E304 K305 A306 A346	L298-A302 PolarHBondContact O-N 3.06Å; A299-A302 PolarHBondContact O-N 3.14Å; A299-A302 VanDerWaalsContact O-N 3.14Å; K300-A302 VanDerWaalsContact C-N 3.27Å; K300-A302 PolarHBondContact O-N 3.13Å; A302-E304 VanDerWaalsContact C-N 3.33Å; A302-E304 PolarHBondContact O-N 3.17Å; A302-K305 PolarHBondContact O-N 2.83Å; A302-A306 WeakPolarHBondContact O-CB 3.44Å; A302-A306 PolarHBondContact O-N 3.25Å; A302-A346 HydrophobicContact CB-CB 4.07Å
303	E	97.7	Very high	95.9	Very high	57 Å²	57	70.9 Å²	70.9	27%	0.266	34%	0.335	S	S	.	.	H	α-helix	trans	-58	-43.6	173.1	167.1	55.3	-144.2	0	0	111.9	A299 K300 A306 R307 R343 A346	A299-E303 WeakPolarHBondContact O-CB 3.37Å; A299-E303 PolarHBondContact O-N 3.38Å; K300-E303 PolarHBondContact O-N 3.23Å; E303-A306 PolarHBondContact O-N 2.83Å; E303-R307 WeakPolarHBondContact O-CB 3.33Å; E303-R307 PolarHBondContact O-N 3.32Å; E303-R307 IonicContact OE1-CZ 2.95Å; E303-R307 IonicContact OE1-NE 2.77Å; E303-R307 PolarHBondContact OE1-NE 3.18Å; E303-R307 IonicContact OE1-NH2 2.81Å; E303-R307 PolarHBondContact OE1-NH2 3.3Å; E303-R343 IonicContact OE1-NH1 3.26Å; E303-R343 IonicContact OE1-NH2 3.72Å; E303-R343 IonicContact OE2-CZ 2.66Å; E303-R343 IonicContact OE2-NH1 2.86Å; E303-R343 PolarHBondContact OE2-NH1 3.46Å; E303-R343 IonicContact OE2-NH2 2.72Å; E303-A346 HydrophobicContact CB-CB 4.49Å
304	E	97.2	Very high	95.7	Very high	125 Å²	125	68.2 Å²	68.2	58%	0.584	33%	0.331	S	S	*	.	H	α-helix	trans	-62	-45.6	174.9	-178.2	168.8	-134.5	0	0	112	K300 A302 R307 E308	K300-E304 WeakPolarHBondContact O-CB 3.48Å; K300-E304 PolarHBondContact O-N 3.49Å; A302-E304 VanDerWaalsContact C-N 3.33Å; A302-E304 PolarHBondContact O-N 3.17Å; E304-R307 PolarHBondContact O-N 2.91Å; E304-E308 WeakPolarHBondContact O-CB 3.37Å; E304-E308 PolarHBondContact O-N 3.21Å
305	K	96.3	Very high	95.6	Very high	100 Å²	100	65.4 Å²	65.4	44%	0.435	33%	0.329	S	S	.	.	H	α-helix	trans	-67.5	-35.6	177.1	-73.8	172.8	-177.9	179	0	113.4	I301 A302 A309 L342	I301-K305 HydrophobicContact CG2-CD 4.18Å; I301-K305 WeakPolarHBondContact O-CD 3.35Å; I301-K305 VanDerWaalsContact O-CG 3.26Å; I301-K305 WeakPolarHBondContact O-CG 3.31Å; I301-K305 PolarHBondContact O-N 3.39Å; A302-K305 PolarHBondContact O-N 2.83Å; K305-A309 VanDerWaalsContact O-CB 3.31Å; K305-A309 WeakPolarHBondContact O-CB 3.34Å; K305-A309 PolarHBondContact O-N 2.92Å; K305-L342 HydrophobicContact CB-CD2 4.5Å
306	A	97.2	Very high	95.3	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-52.2	172.6	0	0	0	0	0	110	A302 E303 E308 A309 E310 L342 R343 A346	A302-A306 WeakPolarHBondContact O-CB 3.44Å; A302-A306 PolarHBondContact O-N 3.25Å; E303-A306 PolarHBondContact O-N 2.83Å; A306-E308 VanDerWaalsContact C-N 3.33Å; A306-E308 PolarHBondContact O-N 3.41Å; A306-A309 PolarHBondContact O-N 2.84Å; A306-A309 VanDerWaalsContact O-N 3.16Å; A306-E310 WeakPolarHBondContact O-CB 3.37Å; A306-E310 VanDerWaalsContact O-CG 3.26Å; A306-E310 WeakPolarHBondContact O-CG 3.27Å; A306-E310 PolarHBondContact O-N 2.83Å; A306-L342 HydrophobicContact CB-CB 4.31Å; A306-R343 HydrophobicContact CB-CB 4.41Å; A306-A346 HydrophobicContact CB-CB 4.08Å
307	R	97	Very high	94.9	Very high	142 Å²	142	70 Å²	70	54%	0.536	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-38.5	178.7	-165.1	-172.5	-53.1	145.3	5.2	113	E303 E304 S311	E303-R307 WeakPolarHBondContact O-CB 3.33Å; E303-R307 PolarHBondContact O-N 3.32Å; E303-R307 IonicContact OE1-CZ 2.95Å; E303-R307 IonicContact OE1-NE 2.77Å; E303-R307 PolarHBondContact OE1-NE 3.18Å; E303-R307 IonicContact OE1-NH2 2.81Å; E303-R307 PolarHBondContact OE1-NH2 3.3Å; E304-R307 PolarHBondContact O-N 2.91Å; R307-S311 VanDerWaalsContact O-CB 3.23Å; R307-S311 WeakPolarHBondContact O-CB 3.34Å; R307-S311 PolarHBondContact O-N 3.37Å
308	E	96.3	Very high	94.5	Very high	101 Å²	101	68.4 Å²	68.4	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-65.6	-42.3	175.4	-161.8	-144.6	-166.5	0	0	111.4	E304 A306 K312	E304-E308 WeakPolarHBondContact O-CB 3.37Å; E304-E308 PolarHBondContact O-N 3.21Å; A306-E308 VanDerWaalsContact C-N 3.33Å; A306-E308 PolarHBondContact O-N 3.41Å; E308-K312 VanDerWaalsContact CD-CE 3.43Å; E308-K312 HydrophobicContact CG-CD 4.46Å; E308-K312 WeakPolarHBondContact O-CB 3.5Å; E308-K312 VanDerWaalsContact O-CG 3.24Å; E308-K312 WeakPolarHBondContact O-CG 3.11Å; E308-K312 PolarHBondContact O-N 2.78Å; E308-K312 VanDerWaalsContact OE1-CE 3.25Å; E308-K312 WeakPolarHBondContact OE1-CE 3.41Å; E308-K312 IonicContact OE1-NZ 3.43Å; E308-K312 PolarHBondContact OE1-NZ 3.24Å; E308-K312 IonicContact OE2-NZ 2.72Å; E308-K312 PolarHBondContact OE2-NZ 3.16Å
309	A	95.1	Very high	94.1	Very high	10 Å²	10	75.5 Å²	75.5	8%	0.083	38%	0.377	C	S	.	.	H	α-helix	trans	-69.4	-40.1	176.9	0	0	0	0	0	112.8	K305 A306 K312 S313 A339 L342	K305-A309 VanDerWaalsContact O-CB 3.31Å; K305-A309 WeakPolarHBondContact O-CB 3.34Å; K305-A309 PolarHBondContact O-N 2.92Å; A306-A309 PolarHBondContact O-N 2.84Å; A306-A309 VanDerWaalsContact O-N 3.16Å; A309-K312 PolarHBondContact O-N 2.78Å; A309-S313 WeakPolarHBondContact O-CB 3.21Å; A309-S313 PolarHBondContact O-N 3.3Å; A309-A339 HydrophobicContact CB-CB 3.95Å; A309-L342 HydrophobicContact CB-CD1 3.62Å
310	E	95.4	Very high	93.5	Very high	62 Å²	62	77.4 Å²	77.4	29%	0.29	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-46.5	173.2	-72.1	164.8	163.8	0	0	111	A306 K312 S313 V314 A339 R343	A306-E310 WeakPolarHBondContact O-CB 3.37Å; A306-E310 VanDerWaalsContact O-CG 3.26Å; A306-E310 WeakPolarHBondContact O-CG 3.27Å; A306-E310 PolarHBondContact O-N 2.83Å; E310-K312 PolarHBondContact O-N 3.03Å; E310-S313 VanDerWaalsContact O-CB 3.31Å; E310-S313 WeakPolarHBondContact O-CB 3.37Å; E310-S313 PolarHBondContact O-N 3.16Å; E310-S313 VanDerWaalsContact O-N 3.11Å; E310-V314 PolarHBondContact O-N 2.99Å; E310-A339 HydrophobicContact CG-CB 4.09Å; E310-R343 IonicContact OE1-CZ 3.28Å; E310-R343 IonicContact OE1-NE 3.92Å; E310-R343 PolarHBondContact OE1-NE 2.73Å; E310-R343 IonicContact OE1-NH2 3.68Å; E310-R343 PolarHBondContact OE1-NH2 3.34Å; E310-R343 IonicContact OE2-CZ 3.11Å; E310-R343 IonicContact OE2-NE 3.85Å; E310-R343 IonicContact OE2-NH2 2.77Å; E310-R343 PolarHBondContact OE2-NH2 3.23Å
311	S	95.1	Very high	92.6	Very high	78 Å²	78	74.9 Å²	74.9	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-59.6	-45	174.6	-177.2	0	0	0	0	111.9	R307 S313 V314 A315	R307-S311 VanDerWaalsContact O-CB 3.23Å; R307-S311 WeakPolarHBondContact O-CB 3.34Å; R307-S311 PolarHBondContact O-N 3.37Å; S311-S313 VanDerWaalsContact C-N 3.3Å; S311-S313 PolarHBondContact O-N 3.47Å; S311-V314 PolarHBondContact O-N 2.81Å; S311-A315 WeakPolarHBondContact O-CB 3.35Å; S311-A315 PolarHBondContact O-N 2.94Å
312	K	93.3	Very high	91.3	Very high	107 Å²	107	78 Å²	78	47%	0.465	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-36.7	173.2	-75.2	166.9	-177.8	172.9	0	112.6	E308 A309 E310 M316	E308-K312 VanDerWaalsContact CD-CE 3.43Å; E308-K312 HydrophobicContact CG-CD 4.46Å; E308-K312 WeakPolarHBondContact O-CB 3.5Å; E308-K312 VanDerWaalsContact O-CG 3.24Å; E308-K312 WeakPolarHBondContact O-CG 3.11Å; E308-K312 PolarHBondContact O-N 2.78Å; E308-K312 VanDerWaalsContact OE1-CE 3.25Å; E308-K312 WeakPolarHBondContact OE1-CE 3.41Å; E308-K312 IonicContact OE1-NZ 3.43Å; E308-K312 PolarHBondContact OE1-NZ 3.24Å; E308-K312 IonicContact OE2-NZ 2.72Å; E308-K312 PolarHBondContact OE2-NZ 3.16Å; A309-K312 PolarHBondContact O-N 2.78Å; E310-K312 PolarHBondContact O-N 3.03Å; K312-M316 WeakPolarHBondContact O-CB 3.39Å; K312-M316 PolarHBondContact O-N 2.56Å
313	S	92.3	Very high	90.3	Very high	10 Å²	10	81.3 Å²	81.3	7%	0.07	44%	0.437	C	S	.	.	H	α-helix	trans	-64.6	-54.2	176.5	-168.2	0	0	0	0	111.3	A309 E310 S311 A315 M316 E317 Q336	A309-S313 WeakPolarHBondContact O-CB 3.21Å; A309-S313 PolarHBondContact O-N 3.3Å; E310-S313 VanDerWaalsContact O-CB 3.31Å; E310-S313 WeakPolarHBondContact O-CB 3.37Å; E310-S313 PolarHBondContact O-N 3.16Å; E310-S313 VanDerWaalsContact O-N 3.11Å; S311-S313 VanDerWaalsContact C-N 3.3Å; S311-S313 PolarHBondContact O-N 3.47Å; S313-A315 VanDerWaalsContact C-N 3.33Å; S313-A315 PolarHBondContact O-N 2.9Å; S313-M316 PolarHBondContact O-N 3.46Å; S313-M316 VanDerWaalsContact O-N 3.13Å; S313-E317 PolarHBondContact O-N 2.91Å; S313-Q336 WeakPolarHBondContact OG-CG 3.44Å
314	V	92.9	Very high	89	Confident	100 Å²	100	85 Å²	85	61%	0.606	46%	0.458	S	S	*	.	H	α-helix	trans	-62.5	-40.8	179.4	176	0	0	0	0	111.2	E310 S311 M316 E317 A318	E310-V314 PolarHBondContact O-N 2.99Å; S311-V314 PolarHBondContact O-N 2.81Å; V314-M316 VanDerWaalsContact C-N 3.33Å; V314-M316 PolarHBondContact O-N 2.69Å; V314-E317 PolarHBondContact O-N 2.83Å; V314-A318 WeakPolarHBondContact O-CB 3.48Å; V314-A318 PolarHBondContact O-N 3.5Å
315	A	91.8	Very high	88.4	Confident	50 Å²	50	81 Å²	81	41%	0.413	45%	0.445	S	S	.	.	H	α-helix	trans	-67.9	-30.3	176.1	0	0	0	0	0	113.1	S311 S313 R319	S311-A315 WeakPolarHBondContact O-CB 3.35Å; S311-A315 PolarHBondContact O-N 2.94Å; S313-A315 VanDerWaalsContact C-N 3.33Å; S313-A315 PolarHBondContact O-N 2.9Å; A315-R319 WeakPolarHBondContact O-CB 3.35Å; A315-R319 WeakPolarHBondContact O-CG 3.37Å; A315-R319 PolarHBondContact O-N 3.18Å
316	M	87.4	Confident	88	Confident	57 Å²	57	85.1 Å²	85.1	28%	0.281	46%	0.462	S	S	.	.	H	α-helix	trans	-73	-44	173.5	-178.3	170.5	-73.3	0	0	111.4	K312 S313 V314 A318 R319 L320 I331 L332 V335	K312-M316 WeakPolarHBondContact O-CB 3.39Å; K312-M316 PolarHBondContact O-N 2.56Å; S313-M316 PolarHBondContact O-N 3.46Å; S313-M316 VanDerWaalsContact O-N 3.13Å; V314-M316 VanDerWaalsContact C-N 3.33Å; V314-M316 PolarHBondContact O-N 2.69Å; M316-A318 PolarHBondContact O-N 2.81Å; M316-R319 PolarHBondContact O-N 2.72Å; M316-R319 VanDerWaalsContact O-N 3.12Å; M316-L320 HydrophobicContact CG-CD1 3.91Å; M316-L320 HydrophobicContact CG-CG 4.4Å; M316-L320 WeakPolarHBondContact O-CG 3.41Å; M316-L320 PolarHBondContact O-N 2.8Å; M316-I331 HydrophobicContact CE-CG2 4.05Å; M316-I331 HydrophobicContact SD-CG2 3.74Å; M316-L332 HydrophobicContact CB-CD1 4.36Å; M316-L332 HydrophobicContact CG-CD1 4.16Å; M316-V335 HydrophobicContact CE-CG2 3.84Å; M316-V335 HydrophobicContact SD-CB 4.1Å; M316-V335 HydrophobicContact SD-CG2 3.67Å
317	E	89	Confident	87.4	Confident	96 Å²	96	92.1 Å²	92.1	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-57.5	-49.6	175.7	-164.5	163.9	158.6	0	0	111.2	S313 V314 R319 L320 G321 L332 Q336	S313-E317 PolarHBondContact O-N 2.91Å; V314-E317 PolarHBondContact O-N 2.83Å; E317-R319 VanDerWaalsContact C-N 3.25Å; E317-R319 PolarHBondContact O-N 2.76Å; E317-L320 PolarHBondContact O-N 2.85Å; E317-G321 PolarHBondContact O-N 3.24Å; E317-L332 HydrophobicContact CB-CD1 3.89Å; E317-L332 HydrophobicContact CB-CD2 4.4Å; E317-L332 HydrophobicContact CG-CD1 4.39Å; E317-L332 HydrophobicContact CG-CD2 4.08Å; E317-Q336 PolarHBondContact OE2-NE2 3.31Å
318	A	89.3	Confident	86.8	Confident	83 Å²	83	86.2 Å²	86.2	69%	0.686	48%	0.475	S	S	*	.	H	α-helix	trans	-63	-26.2	176	0	0	0	0	0	114.1	V314 M316	V314-A318 WeakPolarHBondContact O-CB 3.48Å; V314-A318 PolarHBondContact O-N 3.5Å; M316-A318 PolarHBondContact O-N 2.81Å
319	R	86.4	Confident	86.3	Confident	223 Å²	223	87.7 Å²	87.7	84%	0.842	48%	0.477	S	S	*	.	H	α-helix	trans	-84.9	-24.5	176.3	-77	178.5	72.4	-177.4	4.3	113.8	A315 M316 E317	A315-R319 WeakPolarHBondContact O-CB 3.35Å; A315-R319 WeakPolarHBondContact O-CG 3.37Å; A315-R319 PolarHBondContact O-N 3.18Å; M316-R319 PolarHBondContact O-N 2.72Å; M316-R319 VanDerWaalsContact O-N 3.12Å; E317-R319 VanDerWaalsContact C-N 3.25Å; E317-R319 PolarHBondContact O-N 2.76Å
320	L	82.9	Confident	86	Confident	48 Å²	48	89.9 Å²	89.9	25%	0.251	50%	0.495	S	S	.	.	H	α-helix	trans	-87.8	-34.8	176.5	-68.2	174.8	0	0	0	111.7	M316 E317 S322 D323 L332	M316-L320 HydrophobicContact CG-CD1 3.91Å; M316-L320 HydrophobicContact CG-CG 4.4Å; M316-L320 WeakPolarHBondContact O-CG 3.41Å; M316-L320 PolarHBondContact O-N 2.8Å; E317-L320 PolarHBondContact O-N 2.85Å; L320-S322 PolarHBondContact O-N 2.84Å; L320-S322 VanDerWaalsContact O-N 3.07Å; L320-D323 VanDerWaalsContact O-CB 3.31Å; L320-D323 WeakPolarHBondContact O-CB 3.38Å; L320-D323 PolarHBondContact O-N 3.34Å; L320-L332 HydrophobicContact CD1-CB 3.91Å
321	G	78.5	Confident	85.7	Confident	68 Å²	68	90.8 Å²	90.8	70%	0.701	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	-111.5	172.4	0	0	0	0	0	112.7	E317	E317-G321 PolarHBondContact O-N 3.24Å
322	S	71.2	Confident	85.4	Confident	117 Å²	117	88.3 Å²	88.3	82%	0.818	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	14.5	178.8	55.8	0	0	0	0	114.5	L320 L324	L320-S322 PolarHBondContact O-N 2.84Å; L320-S322 VanDerWaalsContact O-N 3.07Å; S322-L324 PolarHBondContact O-N 2.51Å
323	D	74.4	Confident	85.3	Confident	73 Å²	73	91.4 Å²	91.4	39%	0.39	49%	0.49	S	S	.	.			trans	-67.6	104.6	176.9	-178.2	12.2	0	0	0	112.2	L320 S325 S328	L320-D323 VanDerWaalsContact O-CB 3.31Å; L320-D323 WeakPolarHBondContact O-CB 3.38Å; L320-D323 PolarHBondContact O-N 3.34Å; D323-S325 VanDerWaalsContact C-N 3.27Å; D323-S325 PolarHBondContact O-N 2.68Å; D323-S325 VanDerWaalsContact OD1-CB 3.31Å; D323-S325 WeakPolarHBondContact OD1-CB 3.35Å; D323-S325 PolarHBondContact OD1-N 3.46Å; D323-S328 WeakPolarHBondContact OD2-CB 3.49Å; D323-S328 PolarHBondContact OD2-OG 3.47Å
324	L	70.9	Confident	85.3	Confident	134 Å²	134	98.4 Å²	98.4	70%	0.702	52%	0.519	S	S	*	.			trans	-81.9	7.5	178.6	-65.5	176.4	0	0	0	113.8	S322 R329	S322-L324 PolarHBondContact O-N 2.51Å; L324-R329 VanDerWaalsContact O-CZ 3.28Å; L324-R329 PolarHBondContact O-NE 2.91Å; L324-R329 PolarHBondContact O-NH2 2.95Å
325	S	84.6	Confident	85.3	Confident	43 Å²	43	95.3 Å²	95.3	30%	0.301	50%	0.5	S	S	.	.			trans	-57	147.1	178.1	107.9	0	0	0	0	112	D323 E327 S328 R329	D323-S325 VanDerWaalsContact C-N 3.27Å; D323-S325 PolarHBondContact O-N 2.68Å; D323-S325 VanDerWaalsContact OD1-CB 3.31Å; D323-S325 WeakPolarHBondContact OD1-CB 3.35Å; D323-S325 PolarHBondContact OD1-N 3.46Å; S325-E327 VanDerWaalsContact C-N 3.28Å; S325-E327 PolarHBondContact O-N 3.48Å; S325-E327 PolarHBondContact OG-N 3.45Å; S325-S328 VanDerWaalsContact OG-CB 3.27Å; S325-S328 WeakPolarHBondContact OG-CB 3.45Å; S325-S328 PolarHBondContact OG-N 3Å; S325-S328 PolarHBondContact OG-OG 3.3Å; S325-R329 WeakPolarHBondContact O-CG 3.41Å; S325-R329 PolarHBondContact O-N 2.83Å; S325-R329 PolarHBondContact O-NE 3.22Å
326	K	86.1	Confident	85.3	Confident	186 Å²	186	95.9 Å²	95.9	81%	0.809	50%	0.495	S	S	*	.	H	α-helix	trans	-67.9	-32.4	179.2	-173.5	175.6	179.6	177.9	0	111.6	A330	K326-A330 WeakPolarHBondContact O-CB 3.43Å; K326-A330 PolarHBondContact O-N 3.47Å
327	E	86.5	Confident	85.7	Confident	146 Å²	146	97.5 Å²	97.5	68%	0.682	51%	0.505	S	S	*	.	H	α-helix	trans	-74.5	-47.9	-179.6	-174.4	164.8	-162.3	0	0	111.1	S325 R329 A330 I331	S325-E327 VanDerWaalsContact C-N 3.28Å; S325-E327 PolarHBondContact O-N 3.48Å; S325-E327 PolarHBondContact OG-N 3.45Å; E327-R329 VanDerWaalsContact C-N 3.34Å; E327-R329 PolarHBondContact O-N 3.04Å; E327-A330 PolarHBondContact O-N 3.47Å; E327-A330 VanDerWaalsContact O-N 3.07Å; E327-I331 HydrophobicContact CG-CD1 3.89Å; E327-I331 WeakPolarHBondContact O-CG1 3.38Å; E327-I331 PolarHBondContact O-N 3.28Å
328	S	84.3	Confident	85.9	Confident	18 Å²	18	95.6 Å²	95.6	13%	0.126	50%	0.501	C	S	.	.	H	α-helix	trans	-57	-45.3	176	-56.9	0	0	0	0	112	D323 S325 A330 I331 L332	D323-S328 WeakPolarHBondContact OD2-CB 3.49Å; D323-S328 PolarHBondContact OD2-OG 3.47Å; S325-S328 VanDerWaalsContact OG-CB 3.27Å; S325-S328 WeakPolarHBondContact OG-CB 3.45Å; S325-S328 PolarHBondContact OG-N 3Å; S325-S328 PolarHBondContact OG-OG 3.3Å; S328-A330 PolarHBondContact O-N 3.46Å; S328-I331 PolarHBondContact O-N 3.18Å; S328-L332 WeakPolarHBondContact O-CB 3.33Å; S328-L332 PolarHBondContact O-N 2.98Å
329	R	85.8	Confident	86.2	Confident	132 Å²	132	91.9 Å²	91.9	50%	0.498	47%	0.471	S	S	.	.	H	α-helix	trans	-66.4	-33.4	175.8	-72.1	-173.6	-77.4	162	-10.2	113.4	L324 S325 E327 R333	L324-R329 VanDerWaalsContact O-CZ 3.28Å; L324-R329 PolarHBondContact O-NE 2.91Å; L324-R329 PolarHBondContact O-NH2 2.95Å; S325-R329 WeakPolarHBondContact O-CG 3.41Å; S325-R329 PolarHBondContact O-N 2.83Å; S325-R329 PolarHBondContact O-NE 3.22Å; E327-R329 VanDerWaalsContact C-N 3.34Å; E327-R329 PolarHBondContact O-N 3.04Å; R329-R333 WeakPolarHBondContact O-CG 3.31Å; R329-R333 PolarHBondContact O-N 3.19Å
330	A	88.9	Confident	86.7	Confident	57 Å²	57	85.8 Å²	85.8	47%	0.471	45%	0.453	S	S	.	.	H	α-helix	trans	-72.6	-38.2	175.3	0	0	0	0	0	112.5	K326 E327 S328 K334	K326-A330 WeakPolarHBondContact O-CB 3.43Å; K326-A330 PolarHBondContact O-N 3.47Å; E327-A330 PolarHBondContact O-N 3.47Å; E327-A330 VanDerWaalsContact O-N 3.07Å; S328-A330 PolarHBondContact O-N 3.46Å; A330-K334 WeakPolarHBondContact O-CB 3.23Å; A330-K334 PolarHBondContact O-N 3.04Å; A330-K334 VanDerWaalsContact O-N 3.12Å
331	I	88	Confident	87.3	Confident	80 Å²	80	89.5 Å²	89.5	41%	0.41	47%	0.471	S	S	.	.	H	α-helix	trans	-67.4	-44.7	176	-65.5	167	0	0	0	110.3	M316 E327 S328 K334 V335	M316-I331 HydrophobicContact CE-CG2 4.05Å; M316-I331 HydrophobicContact SD-CG2 3.74Å; E327-I331 HydrophobicContact CG-CD1 3.89Å; E327-I331 WeakPolarHBondContact O-CG1 3.38Å; E327-I331 PolarHBondContact O-N 3.28Å; S328-I331 PolarHBondContact O-N 3.18Å; I331-K334 PolarHBondContact O-N 2.82Å; I331-V335 PolarHBondContact O-N 3.39Å; I331-V335 VanDerWaalsContact O-N 3.14Å
332	L	88.9	Confident	88.1	Confident	26 Å²	26	88.8 Å²	88.8	14%	0.136	45%	0.45	C	S	.	.	H	α-helix	trans	-59.3	-51.2	177.4	179	58	0	0	0	111.9	M316 E317 L320 S328 K334 V335 Q336	M316-L332 HydrophobicContact CB-CD1 4.36Å; M316-L332 HydrophobicContact CG-CD1 4.16Å; E317-L332 HydrophobicContact CB-CD1 3.89Å; E317-L332 HydrophobicContact CB-CD2 4.4Å; E317-L332 HydrophobicContact CG-CD1 4.39Å; E317-L332 HydrophobicContact CG-CD2 4.08Å; L320-L332 HydrophobicContact CD1-CB 3.91Å; S328-L332 WeakPolarHBondContact O-CB 3.33Å; S328-L332 PolarHBondContact O-N 2.98Å; L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 2.98Å; L332-V335 PolarHBondContact O-N 2.9Å; L332-Q336 HydrophobicContact CD1-CG 4.22Å; L332-Q336 HydrophobicContact CG-CG 4.45Å; L332-Q336 WeakPolarHBondContact O-CG 3.35Å; L332-Q336 PolarHBondContact O-N 2.68Å
333	R	90.5	Very high	89.3	Confident	172 Å²	172	85.8 Å²	85.8	65%	0.649	42%	0.421	S	S	*	.	H	α-helix	trans	-53.9	-49.1	175.4	-77.6	179.9	176.8	-172.6	-3.6	111.5	R329 V335 Q336 D337	R329-R333 WeakPolarHBondContact O-CG 3.31Å; R329-R333 PolarHBondContact O-N 3.19Å; R333-V335 PolarHBondContact O-N 3.49Å; R333-V335 VanDerWaalsContact O-N 3.12Å; R333-Q336 CarbonylContact O-C 3.6Å; R333-Q336 WeakPolarHBondContact O-CA 3.19Å; R333-Q336 WeakPolarHBondContact O-CB 3.48Å; R333-Q336 PolarHBondContact O-N 2.86Å; R333-D337 WeakPolarHBondContact O-CB 3.49Å; R333-D337 PolarHBondContact O-N 3.43Å; R333-D337 VanDerWaalsContact O-OD2 3.07Å
334	K	92.7	Very high	90.4	Very high	158 Å²	158	89.4 Å²	89.4	69%	0.687	43%	0.429	S	S	*	.	H	α-helix	trans	-57.6	-30.9	179	-174.9	175.6	-179.8	178	0	113.7	A330 I331 L332 S338	A330-K334 WeakPolarHBondContact O-CB 3.23Å; A330-K334 PolarHBondContact O-N 3.04Å; A330-K334 VanDerWaalsContact O-N 3.12Å; I331-K334 PolarHBondContact O-N 2.82Å; L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 2.98Å; K334-S338 VanDerWaalsContact O-CB 3.29Å; K334-S338 WeakPolarHBondContact O-CB 3.33Å; K334-S338 PolarHBondContact O-N 3.35Å
335	V	92.4	Very high	91.5	Very high	34 Å²	34	85.6 Å²	85.6	21%	0.206	41%	0.41	C	S	.	.	H	α-helix	trans	-80.4	-40.7	174.5	178.2	0	0	0	0	111.5	M316 I331 L332 R333 S338 A339	M316-V335 HydrophobicContact CE-CG2 3.84Å; M316-V335 HydrophobicContact SD-CB 4.1Å; M316-V335 HydrophobicContact SD-CG2 3.67Å; I331-V335 PolarHBondContact O-N 3.39Å; I331-V335 VanDerWaalsContact O-N 3.14Å; L332-V335 PolarHBondContact O-N 2.9Å; R333-V335 PolarHBondContact O-N 3.49Å; R333-V335 VanDerWaalsContact O-N 3.12Å; V335-S338 PolarHBondContact O-N 2.79Å; V335-A339 WeakPolarHBondContact O-CB 3.47Å; V335-A339 PolarHBondContact O-N 2.81Å
336	Q	93.3	Very high	92.1	Very high	63 Å²	63	83.7 Å²	83.7	29%	0.294	40%	0.396	S	S	.	.	H	α-helix	trans	-58.3	-48.3	172.3	-71.4	168.7	-26.8	0	0	111.3	S313 E317 L332 R333 S338 A339 M340	S313-Q336 WeakPolarHBondContact OG-CG 3.44Å; E317-Q336 PolarHBondContact OE2-NE2 3.31Å; L332-Q336 HydrophobicContact CD1-CG 4.22Å; L332-Q336 HydrophobicContact CG-CG 4.45Å; L332-Q336 WeakPolarHBondContact O-CG 3.35Å; L332-Q336 PolarHBondContact O-N 2.68Å; R333-Q336 CarbonylContact O-C 3.6Å; R333-Q336 WeakPolarHBondContact O-CA 3.19Å; R333-Q336 WeakPolarHBondContact O-CB 3.48Å; R333-Q336 PolarHBondContact O-N 2.86Å; Q336-S338 PolarHBondContact O-N 2.82Å; Q336-A339 PolarHBondContact O-N 2.77Å; Q336-M340 WeakPolarHBondContact O-CB 3.49Å; Q336-M340 PolarHBondContact O-N 2.89Å
337	D	94.8	Very high	92.6	Very high	91 Å²	91	77.4 Å²	77.4	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-59.7	-44.4	176	-60.5	-32.5	0	0	0	111.5	R333 M340 M341	R333-D337 WeakPolarHBondContact O-CB 3.49Å; R333-D337 PolarHBondContact O-N 3.43Å; R333-D337 VanDerWaalsContact O-OD2 3.07Å; D337-M340 PolarHBondContact O-N 3.26Å; D337-M341 WeakPolarHBondContact O-CG 3.42Å; D337-M341 PolarHBondContact O-N 3.38Å
338	S	94.4	Very high	93	Very high	55 Å²	55	75 Å²	75	39%	0.385	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-35.3	178.2	-172.4	0	0	0	0	112.5	K334 V335 Q336 L342	K334-S338 VanDerWaalsContact O-CB 3.29Å; K334-S338 WeakPolarHBondContact O-CB 3.33Å; K334-S338 PolarHBondContact O-N 3.35Å; V335-S338 PolarHBondContact O-N 2.79Å; Q336-S338 PolarHBondContact O-N 2.82Å; S338-L342 WeakPolarHBondContact O-CG 3.29Å; S338-L342 PolarHBondContact O-N 2.97Å; S338-L342 VanDerWaalsContact O-N 3.15Å
339	A	95.5	Very high	93.5	Very high	5 Å²	5	78 Å²	78	4%	0.041	37%	0.371	C	S	.	.	H	α-helix	trans	-67.5	-46.4	173.8	0	0	0	0	0	110.7	A309 E310 V335 Q336 M341 L342 R343	A309-A339 HydrophobicContact CB-CB 3.95Å; E310-A339 HydrophobicContact CG-CB 4.09Å; V335-A339 WeakPolarHBondContact O-CB 3.47Å; V335-A339 PolarHBondContact O-N 2.81Å; Q336-A339 PolarHBondContact O-N 2.77Å; A339-M341 VanDerWaalsContact C-N 3.35Å; A339-M341 PolarHBondContact O-N 2.68Å; A339-L342 PolarHBondContact O-N 3.44Å; A339-L342 VanDerWaalsContact O-N 3.16Å; A339-R343 WeakPolarHBondContact O-CB 3.46Å; A339-R343 PolarHBondContact O-N 2.93Å
340	M	95.8	Very high	94	Very high	95 Å²	95	76.8 Å²	76.8	47%	0.468	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-41	177	-169.3	-170.7	-66.1	0	0	112.5	Q336 D337 R344	Q336-M340 WeakPolarHBondContact O-CB 3.49Å; Q336-M340 PolarHBondContact O-N 2.89Å; D337-M340 PolarHBondContact O-N 3.26Å; M340-R344 WeakPolarHBondContact O-CG 3.49Å; M340-R344 PolarHBondContact O-N 3.4Å; M340-R344 VanDerWaalsContact O-N 3.08Å; M340-R344 VanDerWaalsContact SD-CZ 3.6Å; M340-R344 PolarHBondContact SD-NH1 2.88Å; M340-R344 PolarHBondContact SD-NH2 3.15Å
341	M	95.3	Very high	94.3	Very high	127 Å²	127	81.7 Å²	81.7	63%	0.626	38%	0.376	S	S	*	.	H	α-helix	trans	-66.9	-39.9	174.5	-74.4	-156	-65.9	0	0	113	D337 A339 R344 D345	D337-M341 WeakPolarHBondContact O-CG 3.42Å; D337-M341 PolarHBondContact O-N 3.38Å; A339-M341 VanDerWaalsContact C-N 3.35Å; A339-M341 PolarHBondContact O-N 2.68Å; M341-R344 PolarHBondContact O-N 3.28Å; M341-D345 PolarHBondContact O-N 3.46Å
342	L	95.8	Very high	94.4	Very high	52 Å²	52	80.4 Å²	80.4	27%	0.272	37%	0.37	S	S	.	.	H	α-helix	trans	-68.8	-36.9	177.3	-74	167.5	0	0	0	112.2	K305 A306 A309 S338 A339 D345 A346	K305-L342 HydrophobicContact CB-CD2 4.5Å; A306-L342 HydrophobicContact CB-CB 4.31Å; A309-L342 HydrophobicContact CB-CD1 3.62Å; S338-L342 WeakPolarHBondContact O-CG 3.29Å; S338-L342 PolarHBondContact O-N 2.97Å; S338-L342 VanDerWaalsContact O-N 3.15Å; A339-L342 PolarHBondContact O-N 3.44Å; A339-L342 VanDerWaalsContact O-N 3.16Å; L342-D345 PolarHBondContact O-N 3.31Å; L342-A346 PolarHBondContact O-N 2.94Å
343	R	97.5	Very high	94.7	Very high	54 Å²	54	80 Å²	80	20%	0.204	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-49.9	170.7	176.9	51.6	58.6	-159.5	-1	111.2	E303 A306 E310 A339 D345 A346 D347	E303-R343 IonicContact OE1-NH1 3.26Å; E303-R343 IonicContact OE1-NH2 3.72Å; E303-R343 IonicContact OE2-CZ 2.66Å; E303-R343 IonicContact OE2-NH1 2.86Å; E303-R343 PolarHBondContact OE2-NH1 3.46Å; E303-R343 IonicContact OE2-NH2 2.72Å; A306-R343 HydrophobicContact CB-CB 4.41Å; E310-R343 IonicContact OE1-CZ 3.28Å; E310-R343 IonicContact OE1-NE 3.92Å; E310-R343 PolarHBondContact OE1-NE 2.73Å; E310-R343 IonicContact OE1-NH2 3.68Å; E310-R343 PolarHBondContact OE1-NH2 3.34Å; E310-R343 IonicContact OE2-CZ 3.11Å; E310-R343 IonicContact OE2-NE 3.85Å; E310-R343 IonicContact OE2-NH2 2.77Å; E310-R343 PolarHBondContact OE2-NH2 3.23Å; A339-R343 WeakPolarHBondContact O-CB 3.46Å; A339-R343 PolarHBondContact O-N 2.93Å; R343-D345 VanDerWaalsContact C-N 3.35Å; R343-D345 PolarHBondContact O-N 3.21Å; R343-A346 WeakPolarHBondContact O-CB 3.24Å; R343-A346 PolarHBondContact O-N 2.77Å; R343-A346 VanDerWaalsContact O-N 3.13Å; R343-D347 WeakPolarHBondContact CD-OD2 3.39Å; R343-D347 PolarHBondContact O-N 3.03Å
344	R	96.5	Very high	94.9	Very high	150 Å²	150	76.4 Å²	76.4	57%	0.566	36%	0.358	S	S	*	.	H	α-helix	trans	-57.1	-42.6	175	-72.9	174.9	177	136.5	-1.9	112.8	M340 M341 D347 I348	M340-R344 WeakPolarHBondContact O-CG 3.49Å; M340-R344 PolarHBondContact O-N 3.4Å; M340-R344 VanDerWaalsContact O-N 3.08Å; M340-R344 VanDerWaalsContact SD-CZ 3.6Å; M340-R344 PolarHBondContact SD-NH1 2.88Å; M340-R344 PolarHBondContact SD-NH2 3.15Å; M341-R344 PolarHBondContact O-N 3.28Å; R344-D347 PolarHBondContact O-N 3.25Å; R344-I348 WeakPolarHBondContact O-CB 3.4Å; R344-I348 WeakPolarHBondContact O-CD1 3.44Å; R344-I348 VanDerWaalsContact O-CG1 3.22Å; R344-I348 WeakPolarHBondContact O-CG1 3.09Å; R344-I348 PolarHBondContact O-N 3.12Å
345	D	94.8	Very high	94.9	Very high	54 Å²	54	71.1 Å²	71.1	29%	0.289	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-40.6	175.7	-175.8	38.6	0	0	0	112.2	M341 L342 R343 I348 R349	M341-D345 PolarHBondContact O-N 3.46Å; L342-D345 PolarHBondContact O-N 3.31Å; R343-D345 VanDerWaalsContact C-N 3.35Å; R343-D345 PolarHBondContact O-N 3.21Å; D345-I348 PolarHBondContact O-N 3.07Å; D345-R349 VanDerWaalsContact O-CD 3.3Å; D345-R349 WeakPolarHBondContact O-CD 3.41Å; D345-R349 VanDerWaalsContact O-CG 3.24Å; D345-R349 WeakPolarHBondContact O-CG 3.11Å; D345-R349 PolarHBondContact O-N 3Å; D345-R349 VanDerWaalsContact O-N 3.07Å; D345-R349 IonicContact OD1-CZ 3.71Å; D345-R349 IonicContact OD1-NE 2.84Å; D345-R349 PolarHBondContact OD1-NE 2.94Å; D345-R349 IonicContact OD1-NH2 3.72Å; D345-R349 PolarHBondContact OD1-NH2 3.39Å; D345-R349 VanDerWaalsContact OD1-NH2 3.16Å; D345-R349 IonicContact OD2-CZ 2.7Å; D345-R349 IonicContact OD2-NE 2.72Å; D345-R349 PolarHBondContact OD2-NE 3.21Å; D345-R349 IonicContact OD2-NH2 3.53Å; D345-R349 PolarHBondContact OD2-NH2 3.02Å
346	A	97.3	Very high	94.9	Very high	2 Å²	2	70.7 Å²	70.7	2%	0.017	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-46.8	173.6	0	0	0	0	0	112.1	A302 E303 A306 L342 R343 I348 R349 K350	A302-A346 HydrophobicContact CB-CB 4.07Å; E303-A346 HydrophobicContact CB-CB 4.49Å; A306-A346 HydrophobicContact CB-CB 4.08Å; L342-A346 PolarHBondContact O-N 2.94Å; R343-A346 WeakPolarHBondContact O-CB 3.24Å; R343-A346 PolarHBondContact O-N 2.77Å; R343-A346 VanDerWaalsContact O-N 3.13Å; A346-I348 PolarHBondContact O-N 2.96Å; A346-R349 PolarHBondContact O-N 3.01Å; A346-K350 WeakPolarHBondContact O-CB 3.2Å; A346-K350 PolarHBondContact O-N 2.91Å
347	D	96.5	Very high	94.9	Very high	55 Å²	55	71.4 Å²	71.4	29%	0.294	34%	0.343	S	S	.	.	H	α-helix	trans	-69.5	-31.2	-179.1	-65.7	-39.3	0	0	0	113	R343 R344 R351	R343-D347 WeakPolarHBondContact CD-OD2 3.39Å; R343-D347 PolarHBondContact O-N 3.03Å; R344-D347 PolarHBondContact O-N 3.25Å; D347-R351 WeakPolarHBondContact O-CB 3.34Å; D347-R351 WeakPolarHBondContact O-CG 3.5Å; D347-R351 PolarHBondContact O-N 2.93Å; D347-R351 VanDerWaalsContact O-N 3.11Å; D347-R351 PolarHBondContact O-NE 3.5Å
348	I	94.6	Very high	94.8	Very high	96 Å²	96	74.4 Å²	74.4	49%	0.492	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-46.1	170.1	-72.1	164.5	0	0	0	110.6	R344 D345 A346 R351 N352	R344-I348 WeakPolarHBondContact O-CB 3.4Å; R344-I348 WeakPolarHBondContact O-CD1 3.44Å; R344-I348 VanDerWaalsContact O-CG1 3.22Å; R344-I348 WeakPolarHBondContact O-CG1 3.09Å; R344-I348 PolarHBondContact O-N 3.12Å; D345-I348 PolarHBondContact O-N 3.07Å; A346-I348 PolarHBondContact O-N 2.96Å; I348-R351 PolarHBondContact O-N 3.07Å; I348-N352 PolarHBondContact O-N 2.92Å
349	R	94.5	Very high	94.6	Very high	81 Å²	81	73.9 Å²	73.9	31%	0.306	35%	0.35	S	S	.	.	H	α-helix	trans	-69	-37.8	-179.8	-68.6	161.3	-173.1	-123.9	8.1	112.7	L298 A299 D345 A346 N352 L353	L298-R349 PolarHBondContact O-NH1 2.92Å; A299-R349 HydrophobicContact CB-CB 4.06Å; D345-R349 VanDerWaalsContact O-CD 3.3Å; D345-R349 WeakPolarHBondContact O-CD 3.41Å; D345-R349 VanDerWaalsContact O-CG 3.24Å; D345-R349 WeakPolarHBondContact O-CG 3.11Å; D345-R349 PolarHBondContact O-N 3Å; D345-R349 VanDerWaalsContact O-N 3.07Å; D345-R349 IonicContact OD1-CZ 3.71Å; D345-R349 IonicContact OD1-NE 2.84Å; D345-R349 PolarHBondContact OD1-NE 2.94Å; D345-R349 IonicContact OD1-NH2 3.72Å; D345-R349 PolarHBondContact OD1-NH2 3.39Å; D345-R349 VanDerWaalsContact OD1-NH2 3.16Å; D345-R349 IonicContact OD2-CZ 2.7Å; D345-R349 IonicContact OD2-NE 2.72Å; D345-R349 PolarHBondContact OD2-NE 3.21Å; D345-R349 IonicContact OD2-NH2 3.53Å; D345-R349 PolarHBondContact OD2-NH2 3.02Å; A346-R349 PolarHBondContact O-N 3.01Å; R349-N352 PolarHBondContact O-N 2.97Å; R349-L353 WeakPolarHBondContact O-CB 3.28Å; R349-L353 PolarHBondContact O-N 2.86Å
350	K	95.9	Very high	94.4	Very high	106 Å²	106	75.9 Å²	75.9	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-59	-46.7	172.3	-178.1	-178.3	171.1	-169.8	0	110.9	A346 N352 L353 E354	A346-K350 WeakPolarHBondContact O-CB 3.2Å; A346-K350 PolarHBondContact O-N 2.91Å; K350-N352 PolarHBondContact O-N 2.78Å; K350-L353 WeakPolarHBondContact O-CB 3.47Å; K350-L353 PolarHBondContact O-N 2.93Å; K350-E354 WeakPolarHBondContact CE-OE1 3.18Å; K350-E354 WeakPolarHBondContact CG-OE1 3.44Å; K350-E354 WeakPolarHBondContact O-CG 3.36Å; K350-E354 PolarHBondContact O-N 3.27Å
351	R	95	Very high	94.2	Very high	159 Å²	159	79.8 Å²	79.8	60%	0.6	37%	0.374	S	S	*	.	H	α-helix	trans	-61.8	-39.9	174.2	-75.1	-178.3	-70.8	165.4	-5.4	113	D347 I348 E354 A355	D347-R351 WeakPolarHBondContact O-CB 3.34Å; D347-R351 WeakPolarHBondContact O-CG 3.5Å; D347-R351 PolarHBondContact O-N 2.93Å; D347-R351 VanDerWaalsContact O-N 3.11Å; D347-R351 PolarHBondContact O-NE 3.5Å; I348-R351 PolarHBondContact O-N 3.07Å; R351-E354 PolarHBondContact O-N 2.8Å; R351-A355 WeakPolarHBondContact O-CB 3.08Å; R351-A355 PolarHBondContact O-N 3.12Å
352	N	91.4	Very high	93.9	Very high	54 Å²	54	79.5 Å²	79.5	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-65.8	-39.4	173.6	-178.3	-106	0	0	0	112.4	E93 I348 R349 K350 A355 K356	E93-N352 PolarHBondContact OE1-ND2 2.7Å; E93-N352 PolarHBondContact OE2-ND2 3.03Å; I348-N352 PolarHBondContact O-N 2.92Å; R349-N352 PolarHBondContact O-N 2.97Å; K350-N352 PolarHBondContact O-N 2.78Å; N352-A355 PolarHBondContact O-N 2.9Å; N352-K356 WeakPolarHBondContact O-CG 3.42Å; N352-K356 PolarHBondContact O-N 2.97Å; N352-K356 VanDerWaalsContact OD1-CE 3.22Å; N352-K356 WeakPolarHBondContact OD1-CE 3.34Å
353	L	94.4	Very high	93.7	Very high	16 Å²	16	81.4 Å²	81.4	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-59.5	-49.9	173.3	171.8	61.2	0	0	0	111.4	V292 A295 D296 A299 R349 K350 A355 K356 Q357	V292-L353 HydrophobicContact CG1-CD1 4.28Å; A295-L353 HydrophobicContact CB-CB 4.33Å; A295-L353 HydrophobicContact CB-CD1 4.08Å; D296-L353 HydrophobicContact CB-CD1 3.82Å; D296-L353 HydrophobicContact CB-CD2 4.23Å; A299-L353 HydrophobicContact CB-CD2 4.19Å; R349-L353 WeakPolarHBondContact O-CB 3.28Å; R349-L353 PolarHBondContact O-N 2.86Å; K350-L353 WeakPolarHBondContact O-CB 3.47Å; K350-L353 PolarHBondContact O-N 2.93Å; L353-A355 VanDerWaalsContact C-N 3.33Å; L353-A355 PolarHBondContact O-N 3.33Å; L353-K356 PolarHBondContact O-N 3.31Å; L353-Q357 HydrophobicContact CD1-CG 4.01Å; L353-Q357 HydrophobicContact CG-CG 4.44Å; L353-Q357 WeakPolarHBondContact O-CB 3.43Å; L353-Q357 WeakPolarHBondContact O-CG 3.3Å; L353-Q357 PolarHBondContact O-N 3.41Å
354	E	95.2	Very high	93.4	Very high	97 Å²	97	80.1 Å²	80.1	45%	0.453	38%	0.383	S	S	.	.	H	α-helix	trans	-61.5	-40.8	178.9	-71.9	168.2	-176.2	0	0	111.5	K350 R351 Q357 K358	K350-E354 WeakPolarHBondContact CE-OE1 3.18Å; K350-E354 WeakPolarHBondContact CG-OE1 3.44Å; K350-E354 WeakPolarHBondContact O-CG 3.36Å; K350-E354 PolarHBondContact O-N 3.27Å; R351-E354 PolarHBondContact O-N 2.8Å; E354-Q357 PolarHBondContact O-N 2.92Å; E354-K358 WeakPolarHBondContact O-CB 3.45Å; E354-K358 PolarHBondContact O-N 2.9Å
355	A	91.9	Very high	93.3	Very high	47 Å²	47	74.6 Å²	74.6	39%	0.388	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-48	173	0	0	0	0	0	112.3	R351 N352 L353 Q357 K358 A359	R351-A355 WeakPolarHBondContact O-CB 3.08Å; R351-A355 PolarHBondContact O-N 3.12Å; N352-A355 PolarHBondContact O-N 2.9Å; L353-A355 VanDerWaalsContact C-N 3.33Å; L353-A355 PolarHBondContact O-N 3.33Å; A355-Q357 PolarHBondContact O-N 3.19Å; A355-K358 WeakPolarHBondContact O-CB 3.31Å; A355-K358 PolarHBondContact O-N 3.25Å; A355-A359 WeakPolarHBondContact O-CB 3.48Å; A355-A359 PolarHBondContact O-N 2.75Å
356	K	91.8	Very high	93.3	Very high	26 Å²	26	72.2 Å²	72.2	11%	0.113	35%	0.352	C	S	.	.	H	α-helix	trans	-64.7	-37.5	175.9	-72.5	-175.6	-178.2	177.7	0	112.5	E93 E291 V292 A295 N352 L353 A359 L360	E93-K356 WeakPolarHBondContact OE1-CE 3.49Å; E93-K356 IonicContact OE1-NZ 2.7Å; E291-K356 IonicContact OE2-NZ 2.82Å; E291-K356 PolarHBondContact OE2-NZ 3.42Å; V292-K356 HydrophobicContact CG2-CB 3.77Å; V292-K356 WeakPolarHBondContact CG2-O 3.48Å; A295-K356 HydrophobicContact CB-CD 3.88Å; N352-K356 WeakPolarHBondContact O-CG 3.42Å; N352-K356 PolarHBondContact O-N 2.97Å; N352-K356 VanDerWaalsContact OD1-CE 3.22Å; N352-K356 WeakPolarHBondContact OD1-CE 3.34Å; L353-K356 PolarHBondContact O-N 3.31Å; K356-A359 PolarHBondContact O-N 3.08Å; K356-L360 WeakPolarHBondContact O-CB 3.29Å; K356-L360 PolarHBondContact O-N 2.89Å
357	Q	94.2	Very high	93.3	Very high	78 Å²	78	76 Å²	76	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-66.1	-37.9	174.2	-75	-177	13.3	0	0	112.1	V292 L353 E354 A355 L360 K361	V292-Q357 HydrophobicContact CG1-CG 3.84Å; L353-Q357 HydrophobicContact CD1-CG 4.01Å; L353-Q357 HydrophobicContact CG-CG 4.44Å; L353-Q357 WeakPolarHBondContact O-CB 3.43Å; L353-Q357 WeakPolarHBondContact O-CG 3.3Å; L353-Q357 PolarHBondContact O-N 3.41Å; E354-Q357 PolarHBondContact O-N 2.92Å; A355-Q357 PolarHBondContact O-N 3.19Å; Q357-L360 PolarHBondContact O-N 3.32Å; Q357-K361 WeakPolarHBondContact O-CG 3.32Å; Q357-K361 PolarHBondContact O-N 2.81Å
358	K	93.6	Very high	93.4	Very high	153 Å²	153	73.3 Å²	73.3	67%	0.665	36%	0.358	S	S	*	.	H	α-helix	trans	-63.1	-49.9	172.3	-175.5	179.6	178.9	-179	0	110.5	E354 A355 L360 K361	E354-K358 WeakPolarHBondContact O-CB 3.45Å; E354-K358 PolarHBondContact O-N 2.9Å; A355-K358 WeakPolarHBondContact O-CB 3.31Å; A355-K358 PolarHBondContact O-N 3.25Å; K358-L360 VanDerWaalsContact C-N 3.31Å; K358-L360 PolarHBondContact O-N 2.79Å; K358-K361 WeakPolarHBondContact O-CB 3.48Å; K358-K361 PolarHBondContact O-N 3.08Å
359	A	89.4	Confident	93.6	Very high	44 Å²	44	69.9 Å²	69.9	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-34.5	176.9	0	0	0	0	0	113	A355 K356 K361 E362 K364	A355-A359 WeakPolarHBondContact O-CB 3.48Å; A355-A359 PolarHBondContact O-N 2.75Å; K356-A359 PolarHBondContact O-N 3.08Å; A359-K361 VanDerWaalsContact C-N 3.28Å; A359-K361 PolarHBondContact O-N 3.43Å; A359-E362 WeakPolarHBondContact O-CB 3.41Å; A359-E362 PolarHBondContact O-N 3.43Å; A359-K364 PolarHBondContact O-NZ 3.29Å
360	L	91.1	Very high	93.8	Very high	47 Å²	47	66 Å²	66	25%	0.246	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-31	177.1	178.4	60.3	0	0	0	112.8	A288 E289 V292 K356 Q357 K358 E362	A288-L360 HydrophobicContact CB-CD1 3.74Å; E289-L360 HydrophobicContact CG-CD1 3.88Å; E289-L360 HydrophobicContact CG-CD2 4.16Å; V292-L360 HydrophobicContact CB-CD2 4.24Å; V292-L360 HydrophobicContact CG1-CD2 4.4Å; V292-L360 HydrophobicContact CG2-CB 4.05Å; V292-L360 HydrophobicContact CG2-CD2 3.88Å; K356-L360 WeakPolarHBondContact O-CB 3.29Å; K356-L360 PolarHBondContact O-N 2.89Å; Q357-L360 PolarHBondContact O-N 3.32Å; K358-L360 VanDerWaalsContact C-N 3.31Å; K358-L360 PolarHBondContact O-N 2.79Å; L360-E362 PolarHBondContact O-N 2.89Å
361	K	91.6	Very high	93.9	Very high	177 Å²	177	61 Å²	61	77%	0.77	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.5	177.9	-66	166.5	-173	175.8	0	113.2	Q357 K358 A359	Q357-K361 WeakPolarHBondContact O-CG 3.32Å; Q357-K361 PolarHBondContact O-N 2.81Å; K358-K361 WeakPolarHBondContact O-CB 3.48Å; K358-K361 PolarHBondContact O-N 3.08Å; A359-K361 VanDerWaalsContact C-N 3.28Å; A359-K361 PolarHBondContact O-N 3.43Å
362	E	89.5	Confident	94	Very high	121 Å²	121	53.4 Å²	53.4	57%	0.565	28%	0.275	S	S	*	.	S	Bend	trans	-71.7	148.1	177.7	-56.5	-177	157.8	0	0	111.9	A359 L360 K364	A359-E362 WeakPolarHBondContact O-CB 3.41Å; A359-E362 PolarHBondContact O-N 3.43Å; L360-E362 PolarHBondContact O-N 2.89Å; E362-K364 PolarHBondContact O-N 3.14Å; E362-K364 PolarHBondContact O-NZ 2.69Å
363	P	90.3	Very high	94.3	Very high	92 Å²	92	51.9 Å²	51.9	60%	0.597	27%	0.267	S	S	*	.			trans	-55.1	127.8	177	-25.7	34.9	0	0	0	112.8	D365	P363-D365 WeakPolarHBondContact CB-OD2 3.22Å; P363-D365 PolarHBondContact O-N 2.9Å; P363-D365 VanDerWaalsContact O-N 3.09Å
364	K	92.9	Very high	94.4	Very high	27 Å²	27	51.1 Å²	51.1	12%	0.117	26%	0.263	C	S	.	.			trans	-90	54.1	179.4	-63.5	-73.7	159.8	-74.7	0	110.6	S281 F284 K285 A288 A359 E362	S281-K364 PolarHBondContact N-O 3Å; F284-K364 HydrophobicContact CB-CB 4.15Å; F284-K364 VanDerWaalsContact CD1-C 3.5Å; F284-K364 HydrophobicContact CD1-CB 3.82Å; F284-K364 HydrophobicContact CD1-CD 4.08Å; F284-K364 HydrophobicContact CD2-CD 3.7Å; F284-K364 HydrophobicContact CE1-CB 4.36Å; F284-K364 HydrophobicContact CE1-CD 4.03Å; F284-K364 HydrophobicContact CE2-CD 3.65Å; F284-K364 HydrophobicContact CG-CB 3.94Å; F284-K364 HydrophobicContact CG-CD 3.91Å; F284-K364 HydrophobicContact CG-CG 4.48Å; F284-K364 HydrophobicContact CZ-CD 3.81Å; K285-K364 HydrophobicContact CB-CB 4.15Å; K285-K364 HydrophobicContact CB-CG 4.29Å; A288-K364 HydrophobicContact CB-CD 4.17Å; A359-K364 PolarHBondContact O-NZ 3.29Å; E362-K364 PolarHBondContact O-N 3.14Å; E362-K364 PolarHBondContact O-NZ 2.69Å
365	D	93.2	Very high	94.3	Very high	34 Å²	34	48 Å²	48	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146.5	-178	-59.5	-30.9	0	0	0	111.3	K278 Y279 S280 P363	K278-D365 HydrophobicContact CB-CB 4.29Å; Y279-D365 CarbonylContact O-C 3.56Å; Y279-D365 WeakPolarHBondContact O-CA 3.42Å; S280-D365 WeakPolarHBondContact CA-OD1 3.4Å; S280-D365 VanDerWaalsContact CB-OD1 3.25Å; S280-D365 WeakPolarHBondContact CB-OD1 3.46Å; S280-D365 PolarHBondContact OG-OD1 3Å; P363-D365 WeakPolarHBondContact CB-OD2 3.22Å; P363-D365 PolarHBondContact O-N 2.9Å; P363-D365 VanDerWaalsContact O-N 3.09Å
366	L	95.9	Very high	94.4	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.2	159.8	-56	-179.8	0	0	0	109	Y279 F284 F368 V414 L439	Y279-L366 HydrophobicContact CD1-CB 4.24Å; Y279-L366 HydrophobicContact CD1-CD1 4.14Å; Y279-L366 HydrophobicContact CD1-CG 4.33Å; Y279-L366 HydrophobicContact CE1-CD1 4.36Å; Y279-L366 PolarHBondContact N-O 3.11Å; Y279-L366 PolarHBondContact O-N 3.48Å; F284-L366 HydrophobicContact CD1-CD2 4.4Å; L366-F368 HydrophobicContact CB-CD1 4.37Å; L366-F368 HydrophobicContact CB-CE1 3.89Å; L366-F368 HydrophobicContact CD1-CE1 4.31Å; L366-V414 HydrophobicContact CB-CG2 4.21Å; L366-L439 HydrophobicContact CD1-CD1 3.85Å
367	N	96.4	Very high	94.5	Very high	80 Å²	80	50.1 Å²	50.1	43%	0.428	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	106.9	177.1	-66.7	-52.6	0	0	0	109.6	V276	V276-N367 HydrophobicContact CG2-CB 3.89Å
368	F	98.2	Very high	94.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.6	171.8	-56.6	-20	0	0	0	109.2	V276 Y277 Y279 L366 F370 V414 L439 A442 M443 H446	V276-F368 CarbonylContact C-O 3.54Å; V276-F368 WeakPolarHBondContact CA-O 3.46Å; Y277-F368 PolarHBondContact N-O 3.06Å; Y277-F368 PolarHBondContact O-N 2.83Å; Y279-F368 VanDerWaalsContact CB-CE2 3.45Å; Y279-F368 HydrophobicContact CD1-CE1 4.15Å; Y279-F368 HydrophobicContact CD1-CE2 4.19Å; Y279-F368 AromaticContact CD1-CZ 3.5Å; Y279-F368 HydrophobicContact CD1-CZ 3.5Å; Y279-F368 VanDerWaalsContact CD1-CZ 3.5Å; Y279-F368 HydrophobicContact CD2-CE2 4.23Å; Y279-F368 HydrophobicContact CD2-CZ 4.3Å; Y279-F368 HydrophobicContact CE1-CZ 4.28Å; Y279-F368 HydrophobicContact CG-CE1 4.38Å; Y279-F368 AromaticContact CG-CE2 3.7Å; Y279-F368 HydrophobicContact CG-CE2 3.7Å; Y279-F368 AromaticContact CG-CZ 3.5Å; Y279-F368 HydrophobicContact CG-CZ 3.5Å; L366-F368 HydrophobicContact CB-CD1 4.37Å; L366-F368 HydrophobicContact CB-CE1 3.89Å; L366-F368 HydrophobicContact CD1-CE1 4.31Å; F368-F370 HydrophobicContact CB-CD2 4.41Å; F368-F370 HydrophobicContact CB-CE2 3.58Å; F368-F370 HydrophobicContact CB-CZ 3.98Å; F368-V414 HydrophobicContact CD1-CB 3.99Å; F368-V414 HydrophobicContact CD1-CG2 3.68Å; F368-V414 HydrophobicContact CE1-CB 4.47Å; F368-V414 HydrophobicContact CE1-CG2 3.89Å; F368-L439 HydrophobicContact CE1-CD1 3.63Å; F368-L439 HydrophobicContact CZ-CD1 3.76Å; F368-A442 HydrophobicContact CE2-CB 4.16Å; F368-A442 HydrophobicContact CZ-CB 4.26Å; F368-M443 HydrophobicContact CD1-CG 4Å; F368-M443 HydrophobicContact CD2-CG 4.07Å; F368-M443 HydrophobicContact CE1-CG 3.82Å; F368-M443 HydrophobicContact CE2-CG 3.87Å; F368-M443 HydrophobicContact CG-CG 4.13Å; F368-M443 HydrophobicContact CZ-CG 3.75Å; F368-H446 HydrophobicContact CD2-CB 3.98Å; F368-H446 AromaticContact CD2-CG 3.77Å; F368-H446 AromaticContact CD2-ND1 3.76Å; F368-H446 AromaticContact CE2-ND1 3.63Å
369	I	98.3	Very high	94.5	Very high	23 Å²	23	41.7 Å²	41.7	12%	0.118	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.3	178.4	-54.3	170.1	0	0	0	108.8	P274 R275 V276 G412 V413 F545	P274-I369 HydrophobicContact CB-CG2 4.4Å; R275-I369 CarbonylContact O-C 3.55Å; R275-I369 VanDerWaalsContact O-CA 3.31Å; R275-I369 WeakPolarHBondContact O-CA 3.39Å; V276-I369 HydrophobicContact CB-CG1 4.2Å; V276-I369 HydrophobicContact CG2-CG1 3.99Å; I369-G412 CarbonylContact O-C 3.56Å; I369-G412 WeakPolarHBondContact O-CA 3.47Å; I369-V413 HydrophobicContact CB-CB 4.4Å; I369-V413 PolarHBondContact N-O 3.41Å; I369-V413 PolarHBondContact O-N 2.91Å; I369-F545 HydrophobicContact CD1-CD2 4.13Å; I369-F545 HydrophobicContact CD1-CE2 4.05Å; I369-F545 HydrophobicContact CG2-CD2 4.12Å; I369-F545 HydrophobicContact CG2-CE2 4.27Å
370	F	98.6	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.8	178.2	-60.4	-81.9	0	0	0	111.2	P274 R275 Y277 F368 M382 V410 V411 M443 H446 L447 Y450	P274-F370 CarbonylContact C-O 3.57Å; P274-F370 VanDerWaalsContact CA-O 3.23Å; P274-F370 WeakPolarHBondContact CA-O 3.42Å; R275-F370 PolarHBondContact N-O 3.05Å; R275-F370 PolarHBondContact O-N 2.7Å; Y277-F370 AromaticContact CD2-CD2 3.69Å; Y277-F370 HydrophobicContact CD2-CD2 3.69Å; Y277-F370 HydrophobicContact CD2-CE2 4.06Å; Y277-F370 AromaticContact CE2-CD2 3.92Å; Y277-F370 HydrophobicContact CE2-CD2 3.92Å; F368-F370 HydrophobicContact CB-CD2 4.41Å; F368-F370 HydrophobicContact CB-CE2 3.58Å; F368-F370 HydrophobicContact CB-CZ 3.98Å; F370-M382 HydrophobicContact CD1-CE 4.41Å; F370-M382 HydrophobicContact CD1-SD 4.45Å; F370-M382 HydrophobicContact CE1-CE 4.14Å; F370-M382 HydrophobicContact CE1-SD 3.72Å; F370-V410 HydrophobicContact CB-CG1 4.28Å; F370-V410 HydrophobicContact CD1-CG1 4.45Å; F370-V411 WeakPolarHBondContact CA-O 3.4Å; F370-M443 HydrophobicContact CZ-CB 4.47Å; F370-M443 WeakPolarHBondContact CZ-O 3.38Å; F370-H446 HydrophobicContact CE2-CB 3.7Å; F370-H446 HydrophobicContact CZ-CB 4Å; F370-L447 HydrophobicContact CD1-CB 4.29Å; F370-L447 HydrophobicContact CD1-CD1 3.8Å; F370-L447 HydrophobicContact CE1-CB 3.75Å; F370-L447 HydrophobicContact CE1-CD1 4.07Å; F370-L447 HydrophobicContact CE1-CG 4.44Å; F370-L447 HydrophobicContact CZ-CB 4.13Å; F370-Y450 HydrophobicContact CB-CD1 3.79Å; F370-Y450 HydrophobicContact CB-CD2 3.64Å; F370-Y450 HydrophobicContact CB-CE1 4.18Å; F370-Y450 HydrophobicContact CB-CE2 4.04Å; F370-Y450 HydrophobicContact CB-CG 3.51Å; F370-Y450 HydrophobicContact CG-CG 4.23Å; F370-Y450 VanDerWaalsContact O-CE2 3.22Å; F370-Y450 WeakPolarHBondContact O-CE2 3.49Å
371	G	98.1	Very high	95.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	154.4	178.1	0	0	0	0	0	111.9	V411 Y450	G371-V411 PolarHBondContact N-O 3.36Å; G371-V411 PolarHBondContact O-N 3.24Å; G371-Y450 WeakPolarHBondContact CA-OH 3.22Å
372	V	98.1	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.6	179.7	-165.9	0	0	0	0	110.9	Y272 I374 G409 V410 Y450 I456 F464 W465	Y272-V372 HydrophobicContact CD1-CB 3.94Å; Y272-V372 HydrophobicContact CD1-CG2 3.87Å; Y272-V372 PolarHBondContact N-O 2.7Å; Y272-V372 PolarHBondContact O-N 3.01Å; V372-I374 VanDerWaalsContact C-N 3.28Å; V372-I374 HydrophobicContact CB-CG2 4.3Å; V372-I374 HydrophobicContact CG1-CG2 4.02Å; V372-I374 PolarHBondContact O-N 3.02Å; V372-G409 CarbonylContact C-O 3.53Å; V372-G409 WeakPolarHBondContact CA-O 3.34Å; V372-G409 WeakPolarHBondContact CG1-O 3.08Å; V372-V410 HydrophobicContact CG2-CG2 4.4Å; V372-Y450 HydrophobicContact CG2-CE1 4.22Å; V372-I456 HydrophobicContact CG2-CD1 3.9Å; V372-F464 HydrophobicContact CG1-CE1 4.27Å; V372-F464 HydrophobicContact CG1-CZ 4.28Å; V372-W465 HydrophobicContact CG1-CH2 3.55Å; V372-W465 HydrophobicContact CG1-CZ2 4.02Å; V372-W465 HydrophobicContact CG1-CZ3 4.43Å
373	N	97.2	Very high	95.9	Very high	23 Å²	23	23.7 Å²	23.7	12%	0.123	13%	0.132	C	C	.	.			trans	-78	76.3	171.7	-171	-8.1	0	0	0	110.5	L271 G375 Q376 R377 L379 G409 V411	L271-N373 HydrophobicContact CD2-CB 3.88Å; N373-G375 PolarHBondContact O-N 2.79Å; N373-G375 PolarHBondContact OD1-N 3.13Å; N373-Q376 PolarHBondContact ND2-O 3.3Å; N373-Q376 CarbonylContact O-C 3.57Å; N373-Q376 PolarHBondContact O-N 2.96Å; N373-Q376 PolarHBondContact OD1-N 3.38Å; N373-R377 PolarHBondContact O-N 3.33Å; N373-L379 PolarHBondContact ND2-O 3.16Å; N373-G409 PolarHBondContact N-O 3.47Å; N373-V411 HydrophobicContact CB-CG2 3.99Å
374	I	96.6	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-67.5	-15.6	175.7	58.8	167	0	0	0	113	Y272 V372 F464 W465 F468 Y470 R489 E492 I493	Y272-I374 HydrophobicContact CD1-CG2 4.37Å; Y272-I374 HydrophobicContact CG-CG2 4.28Å; V372-I374 VanDerWaalsContact C-N 3.28Å; V372-I374 HydrophobicContact CB-CG2 4.3Å; V372-I374 HydrophobicContact CG1-CG2 4.02Å; V372-I374 PolarHBondContact O-N 3.02Å; I374-F464 HydrophobicContact CG2-CZ 4.06Å; I374-W465 HydrophobicContact CG2-CZ3 4.25Å; I374-F468 HydrophobicContact CB-CD1 4.5Å; I374-F468 HydrophobicContact CB-CD2 4.3Å; I374-F468 HydrophobicContact CB-CG 4.2Å; I374-F468 HydrophobicContact CD1-CD1 3.81Å; I374-F468 HydrophobicContact CD1-CE1 3.6Å; I374-F468 HydrophobicContact CD1-CG 4.34Å; I374-F468 HydrophobicContact CD1-CZ 3.99Å; I374-F468 HydrophobicContact CG2-CD2 3.83Å; I374-F468 HydrophobicContact CG2-CE2 3.96Å; I374-F468 HydrophobicContact CG2-CG 4.24Å; I374-F468 HydrophobicContact CG2-CZ 4.46Å; I374-Y470 WeakPolarHBondContact O-CE2 2.94Å; I374-Y470 PolarHBondContact O-OH 3.25Å; I374-R489 HydrophobicContact CD1-CB 4.23Å; I374-R489 HydrophobicContact CD1-CG 4.24Å; I374-R489 WeakPolarHBondContact O-CD 3.35Å; I374-E492 HydrophobicContact CD1-CB 4.11Å; I374-I493 HydrophobicContact CD1-CD1 4.02Å; I374-I493 HydrophobicContact CD1-CG1 4.3Å; I374-I493 HydrophobicContact CG1-CD1 3.62Å; I374-I493 HydrophobicContact CG1-CG1 4.4Å
375	G	93.5	Very high	96.5	Very high	31 Å²	31	18 Å²	18	32%	0.32	10%	0.097	S	C	.	.	S	Bend	trans	-71.4	-43.7	174.1	0	0	0	0	0	113.1	N373 Y470 P479	N373-G375 PolarHBondContact O-N 2.79Å; N373-G375 PolarHBondContact OD1-N 3.13Å; G375-Y470 PolarHBondContact O-OH 2.86Å; G375-P479 WeakPolarHBondContact O-CG 3.47Å
376	Q	92.9	Very high	96.7	Very high	102 Å²	102	16.5 Å²	16.5	48%	0.477	9%	0.089	S	C	.	.			trans	-145.9	91.1	-178.9	-63.9	-176.9	73.2	0	0	110.5	N373 E378 L379 Y470	N373-Q376 PolarHBondContact ND2-O 3.3Å; N373-Q376 CarbonylContact O-C 3.57Å; N373-Q376 PolarHBondContact O-N 2.96Å; N373-Q376 PolarHBondContact OD1-N 3.38Å; Q376-E378 PolarHBondContact O-N 3.28Å; Q376-L379 HydrophobicContact CB-CB 4.07Å; Q376-L379 HydrophobicContact CB-CD1 3.96Å; Q376-L379 HydrophobicContact CB-CG 3.86Å; Q376-L379 HydrophobicContact CG-CD1 4.34Å; Q376-L379 PolarHBondContact O-N 2.9Å; Q376-L379 VanDerWaalsContact OE1-CD1 3.26Å; Q376-Y470 WeakPolarHBondContact CA-OH 3.43Å; Q376-Y470 PolarHBondContact N-OH 3.27Å
377	R	94.6	Very high	96.6	Very high	16 Å²	16	17.2 Å²	17.2	6%	0.06	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.8	-171.3	75.3	178.1	172.3	-171	-8.7	116.6	N373 G409 W465 Y470 S472 S474 W475	N373-R377 PolarHBondContact O-N 3.33Å; R377-G409 VanDerWaalsContact O-CA 3.28Å; R377-G409 WeakPolarHBondContact O-CA 3.35Å; R377-G409 PolarHBondContact O-N 3.13Å; R377-W465 HydrophobicContact CB-CE3 4.18Å; R377-W465 HydrophobicContact CB-CH2 3.54Å; R377-W465 HydrophobicContact CB-CZ2 4.15Å; R377-W465 HydrophobicContact CB-CZ3 3.56Å; R377-Y470 HydrophobicContact CB-CE1 3.88Å; R377-Y470 HydrophobicContact CB-CE2 4.43Å; R377-Y470 VanDerWaalsContact CD-CD1 3.48Å; R377-Y470 HydrophobicContact CG-CD1 3.89Å; R377-Y470 HydrophobicContact CG-CE1 3.47Å; R377-Y470 VanDerWaalsContact CG-CE1 3.47Å; R377-Y470 PolarHBondContact N-OH 2.83Å; R377-S472 PolarHBondContact NH2-O 2.98Å; R377-S474 PolarHBondContact NH2-O 3.48Å; R377-W475 HydrophobicContact CB-CZ2 3.95Å; R377-W475 HydrophobicContact CG-CD2 4.18Å; R377-W475 HydrophobicContact CG-CZ2 3.92Å; R377-W475 WeakPolarHBondContact CG-O 3.19Å; R377-W475 PolarHBondContact NE-O 3.23Å; R377-W475 PolarHBondContact O-NE1 2.88Å
378	E	93.1	Very high	96.6	Very high	46 Å²	46	14.6 Å²	14.6	22%	0.215	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-5.3	175.2	68.5	121.3	-115.6	0	0	114	K234 Q376 D380 A476	K234-E378 WeakPolarHBondContact CE-O 3.28Å; K234-E378 IonicContact NZ-OE1 2.73Å; K234-E378 PolarHBondContact NZ-OE1 3.46Å; K234-E378 IonicContact NZ-OE2 3.45Å; Q376-E378 PolarHBondContact O-N 3.28Å; E378-D380 VanDerWaalsContact C-N 3.33Å; E378-D380 PolarHBondContact O-N 3.1Å; E378-A476 WeakPolarHBondContact OE2-CB 3.44Å
379	L	95.2	Very high	96.6	Very high	7 Å²	7	14.6 Å²	14.6	4%	0.037	8%	0.082	C	C	.	.	S	Bend	trans	-95.6	66	171.6	-61.3	-165.3	0	0	0	109.2	K234 P235 N373 Q376 Y394 V411	K234-L379 HydrophobicContact CD-CD2 3.27Å; P235-L379 HydrophobicContact CG-CD1 4Å; N373-L379 PolarHBondContact ND2-O 3.16Å; Q376-L379 HydrophobicContact CB-CB 4.07Å; Q376-L379 HydrophobicContact CB-CD1 3.96Å; Q376-L379 HydrophobicContact CB-CG 3.86Å; Q376-L379 HydrophobicContact CG-CD1 4.34Å; Q376-L379 PolarHBondContact O-N 2.9Å; Q376-L379 VanDerWaalsContact OE1-CD1 3.26Å; L379-Y394 HydrophobicContact CB-CE1 3.79Å; L379-Y394 HydrophobicContact CD2-CE1 4.17Å; L379-V411 VanDerWaalsContact O-CG2 3.29Å; L379-V411 WeakPolarHBondContact O-CG2 3.28Å
380	D	96	Very high	96.6	Very high	10 Å²	10	13.5 Å²	13.5	5%	0.053	8%	0.077	C	C	.	.			trans	-130.5	164.2	-173	72.6	-54.8	0	0	0	112.6	E378 K396 G409	E378-D380 VanDerWaalsContact C-N 3.33Å; E378-D380 PolarHBondContact O-N 3.1Å; D380-K396 VanDerWaalsContact C-NZ 3.34Å; D380-K396 PolarHBondContact O-NZ 2.97Å; D380-K396 IonicContact OD1-NZ 3.6Å; D380-K396 PolarHBondContact OD1-NZ 2.86Å; D380-K396 IonicContact OD2-NZ 2.66Å; D380-K396 PolarHBondContact OD2-NZ 2.79Å; D380-G409 VanDerWaalsContact CB-C 3.48Å; D380-G409 VanDerWaalsContact CB-CA 3.43Å; D380-G409 PolarHBondContact OD2-N 2.92Å; D380-G409 VanDerWaalsContact OD2-N 3.12Å
381	G	97.3	Very high	96.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.4	-177.1	-171.1	0	0	0	0	0	113	V410 V411 G412	G381-V410 PolarHBondContact N-O 3.22Å; G381-V411 WeakPolarHBondContact O-CA 3.46Å; G381-G412 PolarHBondContact O-N 3.31Å
382	M	98.4	Very high	96.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.2	-171.6	-50.3	-61.9	98.9	0	0	111.9	F370 V384 M393 Y394 E395 T397 G412 M443 L447	F370-M382 HydrophobicContact CD1-CE 4.41Å; F370-M382 HydrophobicContact CD1-SD 4.45Å; F370-M382 HydrophobicContact CE1-CE 4.14Å; F370-M382 HydrophobicContact CE1-SD 3.72Å; M382-V384 HydrophobicContact CB-CG2 4.39Å; M382-M393 CarbonylContact O-C 3.56Å; M382-Y394 PolarHBondContact O-N 3.26Å; M382-Y394 VanDerWaalsContact O-N 3.09Å; M382-E395 HydrophobicContact CB-CB 4.28Å; M382-E395 WeakPolarHBondContact CB-O 3.18Å; M382-E395 VanDerWaalsContact CG-O 3.31Å; M382-E395 WeakPolarHBondContact CG-O 3.34Å; M382-E395 PolarHBondContact N-O 2.98Å; M382-E395 PolarHBondContact O-N 3.32Å; M382-E395 VanDerWaalsContact O-N 3.09Å; M382-T397 HydrophobicContact CE-CG2 4.17Å; M382-T397 HydrophobicContact CG-CG2 3.52Å; M382-T397 HydrophobicContact SD-CG2 3.73Å; M382-G412 CarbonylContact C-O 3.48Å; M382-G412 WeakPolarHBondContact CA-O 3.31Å; M382-M443 HydrophobicContact CB-CE 4.2Å; M382-M443 HydrophobicContact CG-CE 4.16Å; M382-M443 HydrophobicContact CG-SD 4.45Å; M382-M443 HydrophobicContact SD-CB 4.27Å; M382-M443 HydrophobicContact SD-CE 3.7Å; M382-L447 HydrophobicContact CE-CD1 4.44Å; M382-L447 HydrophobicContact CE-CD2 3.92Å
383	F	98.6	Very high	96.6	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.6	167.3	-73.5	-113	0	0	0	107.9	V246 L267 Y385 L390 K392 M393 Y394 V411 G412 V413 V414	V246-F383 HydrophobicContact CG2-CE1 4.33Å; L267-F383 HydrophobicContact CD2-CB 4.04Å; L267-F383 HydrophobicContact CD2-CD1 3.61Å; L267-F383 HydrophobicContact CD2-CD2 3.57Å; L267-F383 HydrophobicContact CD2-CE1 3.85Å; L267-F383 HydrophobicContact CD2-CE2 3.83Å; L267-F383 HydrophobicContact CD2-CG 3.46Å; L267-F383 VanDerWaalsContact CD2-CG 3.46Å; L267-F383 HydrophobicContact CD2-CZ 3.95Å; F383-Y385 HydrophobicContact CB-CD2 4.47Å; F383-Y385 HydrophobicContact CB-CE2 3.74Å; F383-L390 HydrophobicContact CB-CD1 4.12Å; F383-L390 HydrophobicContact CD1-CD1 3.8Å; F383-L390 HydrophobicContact CD1-CD2 4.13Å; F383-L390 HydrophobicContact CE1-CD2 4.45Å; F383-L390 HydrophobicContact CG-CD1 4.41Å; F383-K392 CarbonylContact C-O 3.56Å; F383-K392 WeakPolarHBondContact CA-O 3.42Å; F383-M393 HydrophobicContact CD1-CB 3.96Å; F383-M393 HydrophobicContact CE1-CB 3.8Å; F383-M393 HydrophobicContact CZ-CB 4.29Å; F383-Y394 AromaticContact CE2-CD1 3.87Å; F383-Y394 HydrophobicContact CE2-CD1 3.87Å; F383-Y394 AromaticContact CE2-CE1 3.83Å; F383-Y394 HydrophobicContact CE2-CE1 3.83Å; F383-Y394 HydrophobicContact CE2-CG 4.34Å; F383-Y394 AromaticContact CZ-CD1 3.98Å; F383-Y394 HydrophobicContact CZ-CD1 3.98Å; F383-Y394 HydrophobicContact CZ-CD2 4.23Å; F383-Y394 AromaticContact CZ-CE1 3.62Å; F383-Y394 HydrophobicContact CZ-CE1 3.62Å; F383-Y394 AromaticContact CZ-CE2 3.9Å; F383-Y394 HydrophobicContact CZ-CE2 3.9Å; F383-Y394 HydrophobicContact CZ-CG 4.28Å; F383-Y394 AromaticContact CZ-CZ 3.61Å; F383-V411 HydrophobicContact CD2-CG1 3.98Å; F383-V411 HydrophobicContact CE2-CG1 4.26Å; F383-G412 PolarHBondContact N-O 3.28Å; F383-V413 WeakPolarHBondContact O-CA 3.44Å; F383-V414 PolarHBondContact O-N 3.49Å
384	V	98.6	Very high	96.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.2	-176.6	-170.1	0	0	0	0	108	M382 I391 K392 V414 V416 F430 Y436 L439 M443	M382-V384 HydrophobicContact CB-CG2 4.39Å; V384-I391 PolarHBondContact O-N 2.87Å; V384-K392 HydrophobicContact CB-CB 4.19Å; V384-K392 HydrophobicContact CG2-CB 4.45Å; V384-K392 PolarHBondContact N-O 3.16Å; V384-K392 PolarHBondContact O-N 3.31Å; V384-K392 VanDerWaalsContact O-N 3.16Å; V384-V414 HydrophobicContact CB-CG1 4.28Å; V384-V414 HydrophobicContact CG1-CG1 3.87Å; V384-V414 HydrophobicContact CG2-CG1 4.19Å; V384-V416 HydrophobicContact CG1-CG2 4.03Å; V384-F430 HydrophobicContact CB-CE2 4.24Å; V384-F430 HydrophobicContact CB-CZ 4.5Å; V384-F430 HydrophobicContact CG1-CE2 3.69Å; V384-F430 HydrophobicContact CG1-CZ 3.69Å; V384-Y436 HydrophobicContact CG1-CE2 4.45Å; V384-Y436 HydrophobicContact CG2-CE2 4.29Å; V384-L439 HydrophobicContact CG1-CD2 4.06Å; V384-M443 HydrophobicContact CG2-SD 4.43Å
385	Y	98.6	Very high	96.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	157.5	175.8	-60	-105	0	0	0	110	V246 I249 F383 R389 L390 V413 V414 V416	V246-Y385 WeakPolarHBondContact O-CE1 3.17Å; V246-Y385 PolarHBondContact O-OH 3.19Å; I249-Y385 HydrophobicContact CB-CD1 3.68Å; I249-Y385 HydrophobicContact CB-CD2 4.1Å; I249-Y385 HydrophobicContact CB-CE1 3.84Å; I249-Y385 HydrophobicContact CB-CE2 4.24Å; I249-Y385 HydrophobicContact CB-CG 3.83Å; I249-Y385 HydrophobicContact CD1-CD2 4.19Å; I249-Y385 HydrophobicContact CG1-CD2 4.26Å; I249-Y385 HydrophobicContact CG1-CE2 4.26Å; I249-Y385 HydrophobicContact CG1-CG 4.48Å; F383-Y385 HydrophobicContact CB-CD2 4.47Å; F383-Y385 HydrophobicContact CB-CE2 3.74Å; Y385-R389 CarbonylContact C-O 3.58Å; Y385-R389 WeakPolarHBondContact CA-O 3.25Å; Y385-L390 HydrophobicContact CD1-CB 3.82Å; Y385-L390 HydrophobicContact CD1-CD1 4.32Å; Y385-L390 VanDerWaalsContact CD1-N 3.31Å; Y385-L390 HydrophobicContact CD2-CD1 4.35Å; Y385-L390 HydrophobicContact CE1-CB 3.67Å; Y385-L390 HydrophobicContact CE1-CD1 4.05Å; Y385-L390 HydrophobicContact CE1-CG 4.37Å; Y385-L390 HydrophobicContact CE2-CD1 4.09Å; Y385-L390 HydrophobicContact CG-CD1 4.45Å; Y385-V413 HydrophobicContact CD2-CG1 4.17Å; Y385-V413 HydrophobicContact CE2-CG1 3.88Å; Y385-V414 WeakPolarHBondContact CD2-O 3.42Å; Y385-V414 PolarHBondContact N-O 3.24Å; Y385-V416 PolarHBondContact O-N 2.97Å
386	N	96.7	Very high	96.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	118.6	175.8	178.6	-120.6	0	0	0	109.5	S388 R389 I391 D415 V416 Y418 L421 P423 F430	N386-S388 PolarHBondContact O-N 3.18Å; N386-R389 PolarHBondContact N-O 3.41Å; N386-R389 WeakPolarHBondContact O-CB 3.23Å; N386-R389 PolarHBondContact O-N 3.06Å; N386-I391 HydrophobicContact CB-CD1 4.05Å; N386-I391 HydrophobicContact CB-CG1 3.48Å; N386-I391 VanDerWaalsContact CB-CG1 3.48Å; N386-D415 PolarHBondContact N-OD1 2.76Å; N386-V416 VanDerWaalsContact CA-O 3.23Å; N386-V416 WeakPolarHBondContact CA-O 3.41Å; N386-V416 PolarHBondContact ND2-O 3.41Å; N386-Y418 WeakPolarHBondContact OD1-CE1 3.31Å; N386-L421 PolarHBondContact ND2-O 3.27Å; N386-P423 VanDerWaalsContact OD1-CD 3.25Å; N386-P423 WeakPolarHBondContact OD1-CD 3.36Å; N386-F430 HydrophobicContact CB-CE1 3.91Å; N386-F430 HydrophobicContact CB-CZ 4.27Å
387	C	94.3	Very high	96.9	Very high	20 Å²	20	16.3 Å²	16.3	14%	0.135	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.7	53.2	-166.3	-72	0	0	0	0	111.7	R389 D415 V416 Y418	C387-R389 PolarHBondContact O-N 3.36Å; C387-R389 VanDerWaalsContact O-N 3.16Å; C387-D415 PolarHBondContact N-OD1 3.17Å; C387-D415 VanDerWaalsContact N-OD1 3.1Å; C387-V416 PolarHBondContact N-O 3.18Å; C387-Y418 HydrophobicContact CB-CD2 4.05Å; C387-Y418 HydrophobicContact CB-CE2 3.63Å; C387-Y418 WeakPolarHBondContact SG-CD2 3.5Å; C387-Y418 WeakPolarHBondContact SG-CE2 3.47Å
388	S	96.3	Very high	97	Very high	25 Å²	25	16.6 Å²	16.6	18%	0.175	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	0.8	178.7	-59.2	0	0	0	0	117.1	Y248 I249 N386 D415	Y248-S388 VanDerWaalsContact CA-O 3.23Å; Y248-S388 WeakPolarHBondContact CA-O 3.14Å; I249-S388 PolarHBondContact N-O 2.77Å; N386-S388 PolarHBondContact O-N 3.18Å; S388-D415 WeakPolarHBondContact CA-OD2 3.35Å; S388-D415 PolarHBondContact N-OD1 3.21Å; S388-D415 PolarHBondContact N-OD2 3.16Å; S388-D415 PolarHBondContact OG-OD2 3.33Å
389	R	97.9	Very high	97	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.4	174.6	168.5	54.4	148.2	74.3	13.2	112.1	D38 I97 Y248 Y385 N386 C387 I391	D38-R389 VanDerWaalsContact CG-NE 3.29Å; D38-R389 WeakPolarHBondContact OD1-CD 3.43Å; D38-R389 IonicContact OD1-CZ 3.73Å; D38-R389 IonicContact OD1-NE 2.7Å; D38-R389 PolarHBondContact OD1-NE 3.45Å; D38-R389 IonicContact OD1-NH2 2.73Å; D38-R389 IonicContact OD2-CZ 3.96Å; D38-R389 VanDerWaalsContact OD2-CZ 3.27Å; D38-R389 IonicContact OD2-NE 2.74Å; D38-R389 PolarHBondContact OD2-NE 3.17Å; D38-R389 IonicContact OD2-NH2 2.72Å; D38-R389 PolarHBondContact OD2-NH2 3.08Å; I97-R389 HydrophobicContact CD1-CB 3.96Å; I97-R389 HydrophobicContact CG1-CB 4.16Å; I97-R389 HydrophobicContact CG2-CB 4.03Å; I97-R389 HydrophobicContact CG2-CG 4.01Å; Y248-R389 HydrophobicContact CE1-CB 4.43Å; Y385-R389 CarbonylContact C-O 3.58Å; Y385-R389 WeakPolarHBondContact CA-O 3.25Å; N386-R389 PolarHBondContact N-O 3.41Å; N386-R389 WeakPolarHBondContact O-CB 3.23Å; N386-R389 PolarHBondContact O-N 3.06Å; C387-R389 PolarHBondContact O-N 3.36Å; C387-R389 VanDerWaalsContact O-N 3.16Å; R389-I391 HydrophobicContact CG-CD1 4.12Å; R389-I391 PolarHBondContact O-N 2.94Å
390	L	98.6	Very high	97.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	122.3	177.4	-177.1	59.6	0	0	0	111	Y243 V246 L247 F383 Y385 K392 M393	Y243-L390 HydrophobicContact CE2-CD2 4.31Å; V246-L390 HydrophobicContact CG2-CD2 4.06Å; V246-L390 WeakPolarHBondContact O-CD2 3.14Å; L247-L390 WeakPolarHBondContact O-CB 3.49Å; L247-L390 PolarHBondContact O-N 2.6Å; F383-L390 HydrophobicContact CB-CD1 4.12Å; F383-L390 HydrophobicContact CD1-CD1 3.8Å; F383-L390 HydrophobicContact CD1-CD2 4.13Å; F383-L390 HydrophobicContact CE1-CD2 4.45Å; F383-L390 HydrophobicContact CG-CD1 4.41Å; Y385-L390 HydrophobicContact CD1-CB 3.82Å; Y385-L390 HydrophobicContact CD1-CD1 4.32Å; Y385-L390 VanDerWaalsContact CD1-N 3.31Å; Y385-L390 HydrophobicContact CD2-CD1 4.35Å; Y385-L390 HydrophobicContact CE1-CB 3.67Å; Y385-L390 HydrophobicContact CE1-CD1 4.05Å; Y385-L390 HydrophobicContact CE1-CG 4.37Å; Y385-L390 HydrophobicContact CE2-CD1 4.09Å; Y385-L390 HydrophobicContact CG-CD1 4.45Å; L390-K392 VanDerWaalsContact CD1-O 3.22Å; L390-K392 WeakPolarHBondContact CD1-O 3.2Å; L390-M393 HydrophobicContact CD2-CB 4.37Å; L390-M393 HydrophobicContact CD2-CE 4.15Å
391	I	98.4	Very high	96.9	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.036	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-42.2	175.9	-51.2	-57.7	0	0	0	110.9	V384 N386 R389 P423 K427 Q428 F430	V384-I391 PolarHBondContact O-N 2.87Å; N386-I391 HydrophobicContact CB-CD1 4.05Å; N386-I391 HydrophobicContact CB-CG1 3.48Å; N386-I391 VanDerWaalsContact CB-CG1 3.48Å; R389-I391 HydrophobicContact CG-CD1 4.12Å; R389-I391 PolarHBondContact O-N 2.94Å; I391-P423 HydrophobicContact CD1-CB 4.12Å; I391-K427 HydrophobicContact CD1-CB 4.01Å; I391-K427 WeakPolarHBondContact CD1-O 3.31Å; I391-Q428 CarbonylContact O-C 3.59Å; I391-F430 HydrophobicContact CB-CE1 4.39Å; I391-F430 HydrophobicContact CB-CE2 3.97Å; I391-F430 HydrophobicContact CB-CZ 3.75Å; I391-F430 HydrophobicContact CG1-CE1 4.13Å; I391-F430 HydrophobicContact CG1-CZ 3.85Å; I391-F430 HydrophobicContact CG2-CD2 4.19Å; I391-F430 HydrophobicContact CG2-CE1 4.3Å; I391-F430 HydrophobicContact CG2-CE2 3.84Å; I391-F430 HydrophobicContact CG2-CZ 3.91Å
392	K	98.1	Very high	96.5	Very high	30 Å²	30	28.8 Å²	28.8	13%	0.13	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.9	-177	-58.2	-76.5	-80.9	175.4	0	110.7	F383 V384 L390 E395 Q428 D429 F430 Y436	F383-K392 CarbonylContact C-O 3.56Å; F383-K392 WeakPolarHBondContact CA-O 3.42Å; V384-K392 HydrophobicContact CB-CB 4.19Å; V384-K392 HydrophobicContact CG2-CB 4.45Å; V384-K392 PolarHBondContact N-O 3.16Å; V384-K392 PolarHBondContact O-N 3.31Å; V384-K392 VanDerWaalsContact O-N 3.16Å; L390-K392 VanDerWaalsContact CD1-O 3.22Å; L390-K392 WeakPolarHBondContact CD1-O 3.2Å; K392-E395 HydrophobicContact CB-CG 3.88Å; K392-E395 WeakPolarHBondContact CE-OE1 3.49Å; K392-E395 IonicContact NZ-OE1 2.64Å; K392-E395 PolarHBondContact NZ-OE1 3Å; K392-Q428 WeakPolarHBondContact CD-O 3.46Å; K392-D429 HydrophobicContact CD-CB 4.36Å; K392-D429 WeakPolarHBondContact CE-OD2 3.13Å; K392-D429 IonicContact NZ-OD2 2.68Å; K392-D429 PolarHBondContact NZ-OD2 3.34Å; K392-F430 HydrophobicContact CG-CD2 4.18Å; K392-F430 HydrophobicContact CG-CE2 3.89Å; K392-Y436 WeakPolarHBondContact CE-OH 3.49Å; K392-Y436 HydrophobicContact CG-CE2 4.29Å; K392-Y436 WeakPolarHBondContact CG-OH 3.38Å
393	M	97.4	Very high	95.3	Very high	18 Å²	18	31.7 Å²	31.7	9%	0.089	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.5	-175.8	62.3	171.6	81	0	0	111.3	E236 R237 Y243 M382 F383 L390 E395	E236-M393 HydrophobicContact CB-CE 4.04Å; E236-M393 HydrophobicContact CB-SD 3.83Å; R237-M393 HydrophobicContact CG-SD 4.37Å; Y243-M393 HydrophobicContact CD2-CE 3.61Å; Y243-M393 HydrophobicContact CE2-CE 3.49Å; Y243-M393 VanDerWaalsContact CE2-CE 3.49Å; M382-M393 CarbonylContact O-C 3.56Å; F383-M393 HydrophobicContact CD1-CB 3.96Å; F383-M393 HydrophobicContact CE1-CB 3.8Å; F383-M393 HydrophobicContact CZ-CB 4.29Å; L390-M393 HydrophobicContact CD2-CB 4.37Å; L390-M393 HydrophobicContact CD2-CE 4.15Å; M393-E395 PolarHBondContact O-N 3.39Å; M393-E395 VanDerWaalsContact O-N 3.08Å
394	Y	97.1	Very high	94.7	Very high	28 Å²	28	34.2 Å²	34.2	11%	0.11	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.7	18.9	178.3	-58	-69.1	0	0	0	116.1	K234 E236 L379 M382 F383 K396	K234-Y394 HydrophobicContact CB-CD2 3.92Å; K234-Y394 HydrophobicContact CB-CE2 3.63Å; K234-Y394 HydrophobicContact CD-CD1 4.28Å; K234-Y394 HydrophobicContact CD-CD2 4.16Å; K234-Y394 HydrophobicContact CD-CE1 4.24Å; K234-Y394 HydrophobicContact CD-CE2 4.1Å; K234-Y394 HydrophobicContact CD-CG 4.24Å; K234-Y394 HydrophobicContact CG-CD2 3.84Å; K234-Y394 HydrophobicContact CG-CE2 3.97Å; K234-Y394 HydrophobicContact CG-CG 4.27Å; E236-Y394 PolarHBondContact OE1-OH 3.2Å; E236-Y394 WeakPolarHBondContact OE2-CE2 3.4Å; E236-Y394 VanDerWaalsContact OE2-CZ 3.29Å; E236-Y394 PolarHBondContact OE2-OH 3.05Å; L379-Y394 HydrophobicContact CB-CE1 3.79Å; L379-Y394 HydrophobicContact CD2-CE1 4.17Å; M382-Y394 PolarHBondContact O-N 3.26Å; M382-Y394 VanDerWaalsContact O-N 3.09Å; F383-Y394 AromaticContact CE2-CD1 3.87Å; F383-Y394 HydrophobicContact CE2-CD1 3.87Å; F383-Y394 AromaticContact CE2-CE1 3.83Å; F383-Y394 HydrophobicContact CE2-CE1 3.83Å; F383-Y394 HydrophobicContact CE2-CG 4.34Å; F383-Y394 AromaticContact CZ-CD1 3.98Å; F383-Y394 HydrophobicContact CZ-CD1 3.98Å; F383-Y394 HydrophobicContact CZ-CD2 4.23Å; F383-Y394 AromaticContact CZ-CE1 3.62Å; F383-Y394 HydrophobicContact CZ-CE1 3.62Å; F383-Y394 AromaticContact CZ-CE2 3.9Å; F383-Y394 HydrophobicContact CZ-CE2 3.9Å; F383-Y394 HydrophobicContact CZ-CG 4.28Å; F383-Y394 AromaticContact CZ-CZ 3.61Å; Y394-K396 PolarHBondContact O-N 2.74Å
395	E	97.7	Very high	94.1	Very high	51 Å²	51	38.7 Å²	38.7	24%	0.238	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	121.4	-175.1	-69.6	-67.9	171.5	0	0	110.9	M382 K392 M393 L440	M382-E395 HydrophobicContact CB-CB 4.28Å; M382-E395 WeakPolarHBondContact CB-O 3.18Å; M382-E395 VanDerWaalsContact CG-O 3.31Å; M382-E395 WeakPolarHBondContact CG-O 3.34Å; M382-E395 PolarHBondContact N-O 2.98Å; M382-E395 PolarHBondContact O-N 3.32Å; M382-E395 VanDerWaalsContact O-N 3.09Å; K392-E395 HydrophobicContact CB-CG 3.88Å; K392-E395 WeakPolarHBondContact CE-OE1 3.49Å; K392-E395 IonicContact NZ-OE1 2.64Å; K392-E395 PolarHBondContact NZ-OE1 3Å; M393-E395 PolarHBondContact O-N 3.39Å; M393-E395 VanDerWaalsContact O-N 3.08Å; E395-L440 HydrophobicContact CB-CD2 4.36Å
396	K	96.9	Very high	93.7	Very high	72 Å²	72	40.4 Å²	40.4	31%	0.313	24%	0.241	S	C	.	.			trans	-80.8	135.6	-176.3	-58.4	-53.1	-165.2	-179.9	0	110.8	D380 Y394 Q400 L401	D380-K396 VanDerWaalsContact C-NZ 3.34Å; D380-K396 PolarHBondContact O-NZ 2.97Å; D380-K396 IonicContact OD1-NZ 3.6Å; D380-K396 PolarHBondContact OD1-NZ 2.86Å; D380-K396 IonicContact OD2-NZ 2.66Å; D380-K396 PolarHBondContact OD2-NZ 2.79Å; Y394-K396 PolarHBondContact O-N 2.74Å; K396-Q400 HydrophobicContact CB-CB 4.23Å; K396-Q400 HydrophobicContact CD-CB 4.24Å; K396-L401 HydrophobicContact CB-CD2 3.68Å; K396-L401 HydrophobicContact CB-CG 4.34Å
397	T	96.3	Very high	93.6	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	24%	0.241	C	C	.	.			trans	-145.5	162.7	176.1	-170.7	0	0	0	0	112.6	M382 Q400 L440 M443 G444 L447	M382-T397 HydrophobicContact CE-CG2 4.17Å; M382-T397 HydrophobicContact CG-CG2 3.52Å; M382-T397 HydrophobicContact SD-CG2 3.73Å; T397-Q400 WeakPolarHBondContact O-CB 3.26Å; T397-Q400 PolarHBondContact O-N 3.38Å; T397-L440 PolarHBondContact OG1-O 3.47Å; T397-M443 HydrophobicContact CG2-CB 4.32Å; T397-G444 WeakPolarHBondContact OG1-CA 3.46Å; T397-L447 HydrophobicContact CG2-CD2 4.12Å; T397-L447 WeakPolarHBondContact O-CD2 3.22Å
398	G	95.1	Very high	93.6	Very high	22 Å²	22	39.8 Å²	39.8	23%	0.227	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	54.3	-136.8	-179.4	0	0	0	0	0	111.9	Q400 L401	G398-Q400 PolarHBondContact O-N 3.06Å; G398-L401 WeakPolarHBondContact O-CB 3.35Å; G398-L401 PolarHBondContact O-N 2.99Å
399	P	94.7	Very high	93.6	Very high	22 Å²	22	38.6 Å²	38.6	14%	0.143	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-57.8	-19.9	-177.9	-26.8	35.9	0	0	0	115.6	L401 E402 A406 C407 A448	P399-L401 PolarHBondContact O-N 3.47Å; P399-E402 WeakPolarHBondContact O-CB 3.25Å; P399-E402 PolarHBondContact O-N 3.35Å; P399-A406 HydrophobicContact CB-CB 4.09Å; P399-C407 HydrophobicContact CB-CB 4.27Å; P399-A448 HydrophobicContact CG-CB 4.17Å
400	Q	95.3	Very high	93.6	Very high	22 Å²	22	38.6 Å²	38.6	10%	0.103	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-65.1	-19.4	176	-64.1	178.1	-24.9	0	0	113	K396 T397 G398 E402 C407 V410 L447	K396-Q400 HydrophobicContact CB-CB 4.23Å; K396-Q400 HydrophobicContact CD-CB 4.24Å; T397-Q400 WeakPolarHBondContact O-CB 3.26Å; T397-Q400 PolarHBondContact O-N 3.38Å; G398-Q400 PolarHBondContact O-N 3.06Å; Q400-E402 VanDerWaalsContact C-N 3.34Å; Q400-C407 HydrophobicContact CG-CB 3.78Å; Q400-C407 PolarHBondContact NE2-O 2.84Å; Q400-V410 PolarHBondContact NE2-O 3.45Å; Q400-L447 HydrophobicContact CG-CD2 4.01Å
401	L	93.9	Very high	93.6	Very high	121 Å²	121	38.6 Å²	38.6	63%	0.634	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-82.1	-13	175.8	-64.5	171.2	0	0	0	113.1	K396 G398 P399	K396-L401 HydrophobicContact CB-CD2 3.68Å; K396-L401 HydrophobicContact CB-CG 4.34Å; G398-L401 WeakPolarHBondContact O-CB 3.35Å; G398-L401 PolarHBondContact O-N 2.99Å; P399-L401 PolarHBondContact O-N 3.47Å
402	E	88.5	Confident	93.6	Very high	154 Å²	154	38.3 Å²	38.3	72%	0.72	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.3	-173.6	-60.5	172.7	-175.1	0	0	112.7	P399 Q400 G404	P399-E402 WeakPolarHBondContact O-CB 3.25Å; P399-E402 PolarHBondContact O-N 3.35Å; Q400-E402 VanDerWaalsContact C-N 3.34Å; E402-G404 PolarHBondContact O-N 2.95Å
403	G	73.2	Confident	93.6	Very high	61 Å²	61	36.9 Å²	36.9	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	8.8	170	0	0	0	0	0	116.1
404	G	84.9	Confident	93.7	Very high	54 Å²	54	36.1 Å²	36.1	56%	0.557	22%	0.219	S	C	*	.	S	Bend	trans	-98.6	-172.9	173	0	0	0	0	0	113.8	E402 A406	E402-G404 PolarHBondContact O-N 2.95Å; G404-A406 VanDerWaalsContact C-N 3.27Å; G404-A406 PolarHBondContact O-N 2.95Å
405	M	87	Confident	93.7	Very high	95 Å²	95	37 Å²	37	47%	0.468	23%	0.225	S	C	.	.	S	Bend	trans	-77.9	-4.9	176.2	-61.5	-178.8	-178.4	0	0	114.2	C407 G408 I461 V462 W475	M405-C407 PolarHBondContact O-N 3.11Å; M405-G408 PolarHBondContact O-N 2.85Å; M405-I461 HydrophobicContact CB-CG2 4.09Å; M405-I461 HydrophobicContact SD-CG2 4.39Å; M405-V462 HydrophobicContact SD-CG2 4.47Å; M405-W475 HydrophobicContact CB-CZ3 4.46Å; M405-W475 HydrophobicContact CG-CZ3 4.11Å
406	A	90.1	Very high	93.6	Very high	35 Å²	35	34.6 Å²	34.6	29%	0.289	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	126.3	-179.2	0	0	0	0	0	110.7	P399 G404 G408	P399-A406 HydrophobicContact CB-CB 4.09Å; G404-A406 VanDerWaalsContact C-N 3.27Å; G404-A406 PolarHBondContact O-N 2.95Å; A406-G408 PolarHBondContact O-N 3.16Å
407	C	94.6	Very high	93.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	5.9	-172.6	-53.9	0	0	0	0	115.4	P399 Q400 M405 V410 L447 W451	P399-C407 HydrophobicContact CB-CB 4.27Å; Q400-C407 HydrophobicContact CG-CB 3.78Å; Q400-C407 PolarHBondContact NE2-O 2.84Å; M405-C407 PolarHBondContact O-N 3.11Å; C407-V410 HydrophobicContact CB-CG2 4.42Å; C407-V410 WeakPolarHBondContact O-CB 3.24Å; C407-V410 WeakPolarHBondContact O-CG2 3.49Å; C407-V410 PolarHBondContact O-N 3.41Å; C407-L447 HydrophobicContact CB-CD1 4.13Å; C407-L447 HydrophobicContact CB-CD2 4.1Å; C407-L447 HydrophobicContact CB-CG 4.03Å; C407-W451 VanDerWaalsContact SG-CB 3.52Å
408	G	94.5	Very high	93.2	Very high	8 Å²	8	33.5 Å²	33.5	8%	0.082	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	136.5	171.9	0	0	0	0	0	109.9	M405 A406 V410	M405-G408 PolarHBondContact O-N 2.85Å; A406-G408 PolarHBondContact O-N 3.16Å; G408-V410 VanDerWaalsContact C-N 3.28Å; G408-V410 PolarHBondContact O-N 2.9Å
409	G	95.4	Very high	92.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-1.3	-175.8	0	0	0	0	0	114.3	V372 N373 R377 D380	V372-G409 CarbonylContact C-O 3.53Å; V372-G409 WeakPolarHBondContact CA-O 3.34Å; V372-G409 WeakPolarHBondContact CG1-O 3.08Å; N373-G409 PolarHBondContact N-O 3.47Å; R377-G409 VanDerWaalsContact O-CA 3.28Å; R377-G409 WeakPolarHBondContact O-CA 3.35Å; R377-G409 PolarHBondContact O-N 3.13Å; D380-G409 VanDerWaalsContact CB-C 3.48Å; D380-G409 VanDerWaalsContact CB-CA 3.43Å; D380-G409 PolarHBondContact OD2-N 2.92Å; D380-G409 VanDerWaalsContact OD2-N 3.12Å
410	V	98.3	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.7	176.6	-173.4	0	0	0	0	111.2	F370 V372 G381 Q400 C407 G408 L447 Y450 W451	F370-V410 HydrophobicContact CB-CG1 4.28Å; F370-V410 HydrophobicContact CD1-CG1 4.45Å; V372-V410 HydrophobicContact CG2-CG2 4.4Å; G381-V410 PolarHBondContact N-O 3.22Å; Q400-V410 PolarHBondContact NE2-O 3.45Å; C407-V410 HydrophobicContact CB-CG2 4.42Å; C407-V410 WeakPolarHBondContact O-CB 3.24Å; C407-V410 WeakPolarHBondContact O-CG2 3.49Å; C407-V410 PolarHBondContact O-N 3.41Å; G408-V410 VanDerWaalsContact C-N 3.28Å; G408-V410 PolarHBondContact O-N 2.9Å; V410-L447 HydrophobicContact CB-CD1 3.84Å; V410-L447 HydrophobicContact CG1-CD1 3.43Å; V410-L447 VanDerWaalsContact CG1-CD1 3.43Å; V410-L447 HydrophobicContact CG2-CD1 4.42Å; V410-Y450 HydrophobicContact CG1-CD1 3.76Å; V410-Y450 HydrophobicContact CG1-CE1 3.67Å; V410-Y450 HydrophobicContact CG2-CD1 4.36Å; V410-Y450 HydrophobicContact CG2-CE1 4.1Å; V410-W451 HydrophobicContact CG2-CE3 3.82Å; V410-W451 HydrophobicContact CG2-CZ3 3.81Å
411	V	98.6	Very high	92.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.2	167.9	172.1	0	0	0	0	108.9	L267 L271 F370 G371 N373 L379 G381 F383 V413	L267-V411 HydrophobicContact CD2-CG1 3.85Å; L267-V411 HydrophobicContact CG-CG1 4.11Å; L271-V411 HydrophobicContact CD1-CB 3.83Å; L271-V411 HydrophobicContact CD1-CG1 3.94Å; L271-V411 HydrophobicContact CD2-CB 3.78Å; L271-V411 HydrophobicContact CD2-CG1 4.4Å; L271-V411 HydrophobicContact CD2-CG2 3.93Å; L271-V411 HydrophobicContact CG-CB 4.48Å; F370-V411 WeakPolarHBondContact CA-O 3.4Å; G371-V411 PolarHBondContact N-O 3.36Å; G371-V411 PolarHBondContact O-N 3.24Å; N373-V411 HydrophobicContact CB-CG2 3.99Å; L379-V411 VanDerWaalsContact O-CG2 3.29Å; L379-V411 WeakPolarHBondContact O-CG2 3.28Å; G381-V411 WeakPolarHBondContact O-CA 3.46Å; F383-V411 HydrophobicContact CD2-CG1 3.98Å; F383-V411 HydrophobicContact CE2-CG1 4.26Å; V411-V413 HydrophobicContact CG1-CG2 4.14Å
412	G	98.4	Very high	92.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145	168.8	0	0	0	0	0	110.7	I369 G381 M382 F383	I369-G412 CarbonylContact O-C 3.56Å; I369-G412 WeakPolarHBondContact O-CA 3.47Å; G381-G412 PolarHBondContact O-N 3.31Å; M382-G412 CarbonylContact C-O 3.48Å; M382-G412 WeakPolarHBondContact CA-O 3.31Å; F383-G412 PolarHBondContact N-O 3.28Å
413	V	98.6	Very high	93.1	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.6	-179.5	179.5	0	0	0	0	109.3	I249 L267 I369 F383 Y385 V411	I249-V413 HydrophobicContact CD1-CG1 3.57Å; I249-V413 HydrophobicContact CG1-CG1 4.03Å; L267-V413 HydrophobicContact CB-CG2 4.25Å; L267-V413 HydrophobicContact CD2-CG2 4.04Å; L267-V413 HydrophobicContact CG-CG2 4.14Å; I369-V413 HydrophobicContact CB-CB 4.4Å; I369-V413 PolarHBondContact N-O 3.41Å; I369-V413 PolarHBondContact O-N 2.91Å; F383-V413 WeakPolarHBondContact O-CA 3.44Å; Y385-V413 HydrophobicContact CD2-CG1 4.17Å; Y385-V413 HydrophobicContact CE2-CG1 3.88Å; V411-V413 HydrophobicContact CG1-CG2 4.14Å
414	V	98.3	Very high	94.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143.5	170.1	63	0	0	0	0	109.7	L366 F368 F383 V384 Y385 V416 M443	L366-V414 HydrophobicContact CB-CG2 4.21Å; F368-V414 HydrophobicContact CD1-CB 3.99Å; F368-V414 HydrophobicContact CD1-CG2 3.68Å; F368-V414 HydrophobicContact CE1-CB 4.47Å; F368-V414 HydrophobicContact CE1-CG2 3.89Å; F383-V414 PolarHBondContact O-N 3.49Å; V384-V414 HydrophobicContact CB-CG1 4.28Å; V384-V414 HydrophobicContact CG1-CG1 3.87Å; V384-V414 HydrophobicContact CG2-CG1 4.19Å; Y385-V414 WeakPolarHBondContact CD2-O 3.42Å; Y385-V414 PolarHBondContact N-O 3.24Å; V414-V416 HydrophobicContact CG1-CG2 4.18Å; V414-V416 HydrophobicContact CG2-CG2 4.06Å; V414-M443 HydrophobicContact CB-CE 3.94Å; V414-M443 HydrophobicContact CB-SD 4.43Å; V414-M443 HydrophobicContact CG1-CE 3.58Å; V414-M443 HydrophobicContact CG1-SD 3.66Å
415	D	97.5	Very high	94.3	Very high	47 Å²	47	24.1 Å²	24.1	25%	0.251	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.5	162.5	-164.1	4.2	0	0	0	109.4	I249 N386 C387 S388	I249-D415 HydrophobicContact CD1-CB 3.98Å; I249-D415 HydrophobicContact CG2-CB 4.47Å; N386-D415 PolarHBondContact N-OD1 2.76Å; C387-D415 PolarHBondContact N-OD1 3.17Å; C387-D415 VanDerWaalsContact N-OD1 3.1Å; S388-D415 WeakPolarHBondContact CA-OD2 3.35Å; S388-D415 PolarHBondContact N-OD1 3.21Å; S388-D415 PolarHBondContact N-OD2 3.16Å; S388-D415 PolarHBondContact OG-OD2 3.33Å
416	V	96	Very high	94.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.3	-172	-173.9	0	0	0	0	108.4	V384 Y385 N386 C387 V414 V420 L421 L439	V384-V416 HydrophobicContact CG1-CG2 4.03Å; Y385-V416 PolarHBondContact O-N 2.97Å; N386-V416 VanDerWaalsContact CA-O 3.23Å; N386-V416 WeakPolarHBondContact CA-O 3.41Å; N386-V416 PolarHBondContact ND2-O 3.41Å; C387-V416 PolarHBondContact N-O 3.18Å; V414-V416 HydrophobicContact CG1-CG2 4.18Å; V414-V416 HydrophobicContact CG2-CG2 4.06Å; V416-V420 HydrophobicContact CG1-CB 3.77Å; V416-V420 HydrophobicContact CG1-CG1 3.9Å; V416-L421 HydrophobicContact CG1-CB 3.99Å; V416-L421 HydrophobicContact CG1-CD1 4.29Å; V416-L421 HydrophobicContact CG1-CG 4.19Å; V416-L439 HydrophobicContact CG2-CD2 3.77Å
417	P	93.1	Very high	95	Very high	37 Å²	37	19.5 Å²	19.5	24%	0.24	10%	0.104	C	C	.	.			trans	-70.1	153.6	179.1	29	-33.9	0	0	0	111.3	F284 L419 V420 L421	F284-P417 HydrophobicContact CD2-CG 4.46Å; F284-P417 HydrophobicContact CE1-CG 4.16Å; F284-P417 HydrophobicContact CE2-CG 3.92Å; F284-P417 HydrophobicContact CZ-CG 3.76Å; P417-L419 PolarHBondContact O-N 3.39Å; P417-V420 HydrophobicContact CG-CG2 4.02Å; P417-V420 PolarHBondContact O-N 2.72Å; P417-L421 PolarHBondContact O-N 2.72Å
418	Y	90.7	Very high	95.1	Very high	21 Å²	21	21 Å²	21	8%	0.082	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-36.5	174.3	-74	-62.6	0	0	0	113.4	I97 Q99 N386 C387 V420 L421 E422 P423	I97-Y418 WeakPolarHBondContact CA-OH 3.49Å; I97-Y418 PolarHBondContact O-OH 2.9Å; Q99-Y418 HydrophobicContact CG-CE1 4.44Å; Q99-Y418 HydrophobicContact CG-CE2 3.93Å; N386-Y418 WeakPolarHBondContact OD1-CE1 3.31Å; C387-Y418 HydrophobicContact CB-CD2 4.05Å; C387-Y418 HydrophobicContact CB-CE2 3.63Å; C387-Y418 WeakPolarHBondContact SG-CD2 3.5Å; C387-Y418 WeakPolarHBondContact SG-CE2 3.47Å; Y418-V420 PolarHBondContact O-N 2.8Å; Y418-V420 VanDerWaalsContact O-N 3.09Å; Y418-L421 WeakPolarHBondContact CA-O 3.48Å; Y418-L421 CarbonylContact O-C 3.27Å; Y418-E422 HydrophobicContact CD1-CG 4.33Å; Y418-P423 HydrophobicContact CE1-CG 4.08Å
419	L	89.6	Confident	95.2	Very high	46 Å²	46	23.2 Å²	23.2	24%	0.241	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.7	178.3	-161.1	62.8	0	0	0	113.1	F284 R287 A288 E291 P417	F284-L419 HydrophobicContact CD2-CB 4.5Å; F284-L419 HydrophobicContact CD2-CD2 4.08Å; F284-L419 HydrophobicContact CE2-CD2 4.07Å; R287-L419 HydrophobicContact CB-CD1 3.79Å; R287-L419 HydrophobicContact CB-CD2 4.49Å; R287-L419 HydrophobicContact CB-CG 3.83Å; R287-L419 WeakPolarHBondContact CD-O 3.39Å; R287-L419 PolarHBondContact NH1-O 2.76Å; A288-L419 HydrophobicContact CB-CD2 3.95Å; E291-L419 HydrophobicContact CG-CD1 4.39Å; P417-L419 PolarHBondContact O-N 3.39Å
420	V	92.4	Very high	95.3	Very high	10 Å²	10	23.4 Å²	23.4	6%	0.061	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-54	175.8	179.9	0	0	0	0	111.6	R283 F284 V416 P417 Y418	R283-V420 PolarHBondContact NE-O 2.72Å; R283-V420 PolarHBondContact NH2-O 2.65Å; F284-V420 HydrophobicContact CB-CG2 3.42Å; F284-V420 VanDerWaalsContact CB-CG2 3.42Å; F284-V420 HydrophobicContact CD1-CG2 4.09Å; F284-V420 HydrophobicContact CD2-CG2 3.8Å; F284-V420 HydrophobicContact CG-CG2 3.51Å; V416-V420 HydrophobicContact CG1-CB 3.77Å; V416-V420 HydrophobicContact CG1-CG1 3.9Å; P417-V420 HydrophobicContact CG-CG2 4.02Å; P417-V420 PolarHBondContact O-N 2.72Å; Y418-V420 PolarHBondContact O-N 2.8Å; Y418-V420 VanDerWaalsContact O-N 3.09Å
421	L	94.4	Very high	95.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.149	C	C	.	.			trans	-133.2	138.1	177	-70.3	178.4	0	0	0	110.2	N386 V416 P417 Y418 F430 D432 E435 Y436 L439	N386-L421 PolarHBondContact ND2-O 3.27Å; V416-L421 HydrophobicContact CG1-CB 3.99Å; V416-L421 HydrophobicContact CG1-CD1 4.29Å; V416-L421 HydrophobicContact CG1-CG 4.19Å; P417-L421 PolarHBondContact O-N 2.72Å; Y418-L421 WeakPolarHBondContact CA-O 3.48Å; Y418-L421 CarbonylContact O-C 3.27Å; L421-F430 HydrophobicContact CB-CD1 3.58Å; L421-F430 HydrophobicContact CB-CE1 3.88Å; L421-F430 HydrophobicContact CB-CG 4.37Å; L421-F430 HydrophobicContact CD1-CB 4.48Å; L421-F430 HydrophobicContact CD1-CD1 3.88Å; L421-F430 HydrophobicContact CD1-CD2 4.33Å; L421-F430 HydrophobicContact CD1-CE1 4.12Å; L421-F430 HydrophobicContact CD1-CG 3.97Å; L421-F430 HydrophobicContact CD1-CZ 4.45Å; L421-F430 HydrophobicContact CG-CD1 4.29Å; L421-D432 HydrophobicContact CD2-CB 4.03Å; L421-E435 HydrophobicContact CD2-CB 3.87Å; L421-Y436 HydrophobicContact CD1-CD2 4.19Å; L421-L439 HydrophobicContact CD1-CD2 3.83Å
422	E	93.3	Very high	95	Very high	75 Å²	75	28.8 Å²	28.8	35%	0.35	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-103.3	144.4	167.2	-68.3	176.3	-144.5	0	0	109.3	Y418 A431	Y418-E422 HydrophobicContact CD1-CG 4.33Å; E422-A431 PolarHBondContact O-N 2.62Å
423	P	95.3	Very high	94.9	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.026	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-73.5	170.3	178.2	27.2	-27.9	0	0	0	111.7	Y100 N386 I391 Y418 D429	Y100-P423 HydrophobicContact CE2-CG 4.08Å; Y100-P423 VanDerWaalsContact OH-CD 3.23Å; Y100-P423 WeakPolarHBondContact OH-CD 3.47Å; Y100-P423 WeakPolarHBondContact OH-CG 3.33Å; Y100-P423 PolarHBondContact OH-O 2.65Å; N386-P423 VanDerWaalsContact OD1-CD 3.25Å; N386-P423 WeakPolarHBondContact OD1-CD 3.36Å; I391-P423 HydrophobicContact CD1-CB 4.12Å; Y418-P423 HydrophobicContact CE1-CG 4.08Å; P423-D429 CarbonylContact C-O 3.52Å; P423-D429 WeakPolarHBondContact CA-O 3.47Å
424	T	95	Very high	94.7	Very high	41 Å²	41	37.3 Å²	37.3	25%	0.252	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-77.2	167.9	166.2	46.4	0	0	0	0	110.5	N426 K427 D429	T424-N426 PolarHBondContact O-N 2.95Å; T424-N426 PolarHBondContact OG1-OD1 2.81Å; T424-K427 PolarHBondContact O-N 2.86Å; T424-D429 HydrophobicContact CG2-CB 4.12Å; T424-D429 PolarHBondContact N-O 3.02Å; T424-D429 VanDerWaalsContact OG1-C 3.28Å; T424-D429 WeakPolarHBondContact OG1-CA 3.1Å; T424-D429 PolarHBondContact OG1-N 2.86Å; T424-D429 PolarHBondContact OG1-O 3.03Å
425	H	89.9	Confident	94.5	Very high	81 Å²	81	39.1 Å²	39.1	38%	0.375	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.9	-175.9	-175.4	-107.4	0	0	0	115.6	N22 T25 N102	N22-H425 PolarHBondContact OD1-CE1 3.19Å; T25-H425 WeakPolarHBondContact CB-ND1 3.46Å; T25-H425 PolarHBondContact OG1-ND1 3.49Å; N102-H425 PolarHBondContact ND2-CE1 2.98Å; N102-H425 VanDerWaalsContact ND2-CE1 3.25Å; N102-H425 PolarHBondContact ND2-NE2 3.36Å
426	N	93.6	Very high	94.5	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.16	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	3.4	177.9	62.8	9.4	0	0	0	114.4	T25 T424 Q428	T25-N426 HydrophobicContact CG2-CB 4.21Å; T25-N426 VanDerWaalsContact O-CB 3.24Å; T25-N426 WeakPolarHBondContact O-CB 3.4Å; T25-N426 PolarHBondContact O-ND2 2.97Å; T424-N426 PolarHBondContact O-N 2.95Å; T424-N426 PolarHBondContact OG1-OD1 2.81Å; N426-Q428 HydrophobicContact CB-CG 4.38Å; N426-Q428 WeakPolarHBondContact O-CG 3.25Å; N426-Q428 PolarHBondContact O-N 2.94Å; N426-Q428 PolarHBondContact O-NE2 2.84Å; N426-Q428 PolarHBondContact OD1-N 2.89Å
427	K	96.9	Very high	94.6	Very high	4 Å²	4	45 Å²	45	2%	0.017	23%	0.231	C	C	.	.	S	Bend	trans	55.1	28.3	-174.7	-53.8	173.6	-174.7	161.2	0	115.1	E35 D38 I97 I391 T424	E35-K427 VanDerWaalsContact CD-NZ 3.34Å; E35-K427 WeakPolarHBondContact OE1-CD 3.41Å; E35-K427 VanDerWaalsContact OE1-CE 3.23Å; E35-K427 WeakPolarHBondContact OE1-CE 3.44Å; E35-K427 WeakPolarHBondContact OE1-CG 3.33Å; E35-K427 IonicContact OE1-NZ 2.76Å; E35-K427 PolarHBondContact OE1-NZ 2.8Å; E35-K427 VanDerWaalsContact OE2-CE 3.31Å; E35-K427 WeakPolarHBondContact OE2-CE 3.48Å; E35-K427 IonicContact OE2-NZ 3.31Å; E35-K427 PolarHBondContact OE2-NZ 2.95Å; D38-K427 WeakPolarHBondContact OD2-CD 3.4Å; D38-K427 IonicContact OD2-NZ 2.72Å; D38-K427 PolarHBondContact OD2-NZ 3.09Å; I97-K427 HydrophobicContact CG2-CD 4.12Å; I391-K427 HydrophobicContact CD1-CB 4.01Å; I391-K427 WeakPolarHBondContact CD1-O 3.31Å; T424-K427 PolarHBondContact O-N 2.86Å
428	Q	96.3	Very high	94.7	Very high	32 Å²	32	47.6 Å²	47.6	15%	0.15	24%	0.24	C	C	.	.	S	Bend	trans	-111.1	-5.1	177.2	-50.7	-51	-54.3	0	0	114.2	I391 K392 N426	I391-Q428 CarbonylContact O-C 3.59Å; K392-Q428 WeakPolarHBondContact CD-O 3.46Å; N426-Q428 HydrophobicContact CB-CG 4.38Å; N426-Q428 WeakPolarHBondContact O-CG 3.25Å; N426-Q428 PolarHBondContact O-N 2.94Å; N426-Q428 PolarHBondContact O-NE2 2.84Å; N426-Q428 PolarHBondContact OD1-N 2.89Å
429	D	97.4	Very high	95	Very high	54 Å²	54	47 Å²	47	29%	0.289	24%	0.238	S	C	.	.	S	Bend	trans	-151.1	-176.8	168.8	-140.9	-53.3	0	0	0	111.5	K392 P423 T424	K392-D429 HydrophobicContact CD-CB 4.36Å; K392-D429 WeakPolarHBondContact CE-OD2 3.13Å; K392-D429 IonicContact NZ-OD2 2.68Å; K392-D429 PolarHBondContact NZ-OD2 3.34Å; P423-D429 CarbonylContact C-O 3.52Å; P423-D429 WeakPolarHBondContact CA-O 3.47Å; T424-D429 HydrophobicContact CG2-CB 4.12Å; T424-D429 PolarHBondContact N-O 3.02Å; T424-D429 VanDerWaalsContact OG1-C 3.28Å; T424-D429 WeakPolarHBondContact OG1-CA 3.1Å; T424-D429 PolarHBondContact OG1-N 2.86Å; T424-D429 PolarHBondContact OG1-O 3.03Å
430	F	97.1	Very high	95.4	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.022	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-108.2	136.4	-178.2	-68.8	-78.8	0	0	0	113	V384 N386 I391 K392 L421 D432 Y436	V384-F430 HydrophobicContact CB-CE2 4.24Å; V384-F430 HydrophobicContact CB-CZ 4.5Å; V384-F430 HydrophobicContact CG1-CE2 3.69Å; V384-F430 HydrophobicContact CG1-CZ 3.69Å; N386-F430 HydrophobicContact CB-CE1 3.91Å; N386-F430 HydrophobicContact CB-CZ 4.27Å; I391-F430 HydrophobicContact CB-CE1 4.39Å; I391-F430 HydrophobicContact CB-CE2 3.97Å; I391-F430 HydrophobicContact CB-CZ 3.75Å; I391-F430 HydrophobicContact CG1-CE1 4.13Å; I391-F430 HydrophobicContact CG1-CZ 3.85Å; I391-F430 HydrophobicContact CG2-CD2 4.19Å; I391-F430 HydrophobicContact CG2-CE1 4.3Å; I391-F430 HydrophobicContact CG2-CE2 3.84Å; I391-F430 HydrophobicContact CG2-CZ 3.91Å; K392-F430 HydrophobicContact CG-CD2 4.18Å; K392-F430 HydrophobicContact CG-CE2 3.89Å; L421-F430 HydrophobicContact CB-CD1 3.58Å; L421-F430 HydrophobicContact CB-CE1 3.88Å; L421-F430 HydrophobicContact CB-CG 4.37Å; L421-F430 HydrophobicContact CD1-CB 4.48Å; L421-F430 HydrophobicContact CD1-CD1 3.88Å; L421-F430 HydrophobicContact CD1-CD2 4.33Å; L421-F430 HydrophobicContact CD1-CE1 4.12Å; L421-F430 HydrophobicContact CD1-CG 3.97Å; L421-F430 HydrophobicContact CD1-CZ 4.45Å; L421-F430 HydrophobicContact CG-CD1 4.29Å; F430-D432 VanDerWaalsContact C-N 3.32Å; F430-D432 PolarHBondContact O-N 2.87Å; F430-Y436 HydrophobicContact CB-CG 4.23Å; F430-Y436 HydrophobicContact CD2-CD1 4.38Å; F430-Y436 AromaticContact CD2-CD2 3.35Å; F430-Y436 HydrophobicContact CD2-CD2 3.35Å; F430-Y436 AromaticContact CD2-CE2 3.63Å; F430-Y436 HydrophobicContact CD2-CE2 3.63Å; F430-Y436 AromaticContact CD2-CG 3.79Å; F430-Y436 HydrophobicContact CD2-CG 3.79Å; F430-Y436 AromaticContact CE2-CD2 3.8Å; F430-Y436 HydrophobicContact CE2-CD2 3.8Å; F430-Y436 AromaticContact CE2-CE2 3.74Å; F430-Y436 HydrophobicContact CE2-CE2 3.74Å; F430-Y436 HydrophobicContact CG-CD2 4.18Å; F430-Y436 HydrophobicContact CG-CG 4.34Å
431	A	95.3	Very high	95.6	Very high	70 Å²	70	51.7 Å²	51.7	58%	0.579	26%	0.257	S	S	*	.	S	Bend	trans	-63.7	-36.9	-178.4	0	0	0	0	0	112.4	E422 A433	E422-A431 PolarHBondContact O-N 2.62Å; A431-A433 PolarHBondContact O-N 3.08Å
432	D	96.3	Very high	95.7	Very high	43 Å²	43	51.9 Å²	51.9	23%	0.23	26%	0.259	C	S	.	.			trans	-91.7	76.9	173.1	-164.8	-30.2	0	0	0	111.1	R283 L421 F430 K434 E435 Y436	R283-D432 IonicContact CZ-OD2 3.76Å; R283-D432 IonicContact NH1-OD2 2.67Å; R283-D432 PolarHBondContact NH1-OD2 3.44Å; R283-D432 IonicContact NH2-OD2 3.51Å; R283-D432 PolarHBondContact NH2-OD2 2.86Å; L421-D432 HydrophobicContact CD2-CB 4.03Å; F430-D432 VanDerWaalsContact C-N 3.32Å; F430-D432 PolarHBondContact O-N 2.87Å; D432-K434 PolarHBondContact O-N 3.22Å; D432-K434 VanDerWaalsContact O-N 3.11Å; D432-K434 WeakPolarHBondContact OD1-CB 3.42Å; D432-K434 PolarHBondContact OD1-N 3.33Å; D432-E435 HydrophobicContact CB-CB 4.49Å; D432-E435 PolarHBondContact O-N 3.34Å; D432-E435 PolarHBondContact OD1-N 3.34Å; D432-E435 WeakPolarHBondContact OD2-CG 3.28Å; D432-Y436 WeakPolarHBondContact O-CB 3.42Å; D432-Y436 PolarHBondContact O-N 3.32Å
433	A	95.1	Very high	95.9	Very high	41 Å²	41	48.3 Å²	48.3	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-18	179	0	0	0	0	0	113.6	A431 R437	A431-A433 PolarHBondContact O-N 3.08Å; A433-R437 WeakPolarHBondContact O-CG 3.44Å; A433-R437 PolarHBondContact O-N 2.9Å; A433-R437 PolarHBondContact O-NE 3.32Å; A433-R437 PolarHBondContact O-NH1 3.17Å; A433-R437 VanDerWaalsContact O-NH1 3.09Å; A433-R437 PolarHBondContact O-NH2 3.04Å
434	K	95.1	Very high	96	Very high	140 Å²	140	48.3 Å²	48.3	61%	0.609	24%	0.243	S	C	*	.	H	α-helix	trans	-74.5	-52	175.8	178.3	-162.6	165.9	-123.3	0	110.1	D432 Y436 R437 H438	D432-K434 PolarHBondContact O-N 3.22Å; D432-K434 VanDerWaalsContact O-N 3.11Å; D432-K434 WeakPolarHBondContact OD1-CB 3.42Å; D432-K434 PolarHBondContact OD1-N 3.33Å; K434-Y436 VanDerWaalsContact C-N 3.35Å; K434-R437 PolarHBondContact O-N 2.7Å; K434-H438 PolarHBondContact O-N 2.89Å; K434-H438 VanDerWaalsContact O-N 3.14Å
435	E	95	Very high	96.1	Very high	39 Å²	39	50.2 Å²	50.2	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-72.5	-29.7	179.3	-60.8	-59.1	128	0	0	112.1	L421 D432 R437 H438 L439	L421-E435 HydrophobicContact CD2-CB 3.87Å; D432-E435 HydrophobicContact CB-CB 4.49Å; D432-E435 PolarHBondContact O-N 3.34Å; D432-E435 PolarHBondContact OD1-N 3.34Å; D432-E435 WeakPolarHBondContact OD2-CG 3.28Å; E435-R437 VanDerWaalsContact C-N 3.33Å; E435-R437 PolarHBondContact O-N 3.07Å; E435-H438 WeakPolarHBondContact O-CA 3.37Å; E435-H438 WeakPolarHBondContact O-CB 3.38Å; E435-H438 PolarHBondContact O-N 2.91Å; E435-H438 VanDerWaalsContact O-N 3.08Å; E435-L439 PolarHBondContact O-N 3.42Å
436	Y	97.7	Very high	96.5	Very high	13 Å²	13	46.8 Å²	46.8	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-41.1	170	176.6	-120.6	0	0	0	112.3	V384 K392 L421 F430 D432 K434 H438 L439 L440	V384-Y436 HydrophobicContact CG1-CE2 4.45Å; V384-Y436 HydrophobicContact CG2-CE2 4.29Å; K392-Y436 WeakPolarHBondContact CE-OH 3.49Å; K392-Y436 HydrophobicContact CG-CE2 4.29Å; K392-Y436 WeakPolarHBondContact CG-OH 3.38Å; L421-Y436 HydrophobicContact CD1-CD2 4.19Å; F430-Y436 HydrophobicContact CB-CG 4.23Å; F430-Y436 HydrophobicContact CD2-CD1 4.38Å; F430-Y436 AromaticContact CD2-CD2 3.35Å; F430-Y436 HydrophobicContact CD2-CD2 3.35Å; F430-Y436 AromaticContact CD2-CE2 3.63Å; F430-Y436 HydrophobicContact CD2-CE2 3.63Å; F430-Y436 AromaticContact CD2-CG 3.79Å; F430-Y436 HydrophobicContact CD2-CG 3.79Å; F430-Y436 AromaticContact CE2-CD2 3.8Å; F430-Y436 HydrophobicContact CE2-CD2 3.8Å; F430-Y436 AromaticContact CE2-CE2 3.74Å; F430-Y436 HydrophobicContact CE2-CE2 3.74Å; F430-Y436 HydrophobicContact CG-CD2 4.18Å; F430-Y436 HydrophobicContact CG-CG 4.34Å; D432-Y436 WeakPolarHBondContact O-CB 3.42Å; D432-Y436 PolarHBondContact O-N 3.32Å; K434-Y436 VanDerWaalsContact C-N 3.35Å; Y436-H438 VanDerWaalsContact C-N 3.33Å; Y436-H438 PolarHBondContact O-N 3.17Å; Y436-L439 HydrophobicContact CD2-CD2 4.5Å; Y436-L439 WeakPolarHBondContact O-CB 3.19Å; Y436-L439 PolarHBondContact O-N 3.12Å; Y436-L440 HydrophobicContact CD1-CD1 4.38Å; Y436-L440 HydrophobicContact CD2-CG 4.46Å; Y436-L440 HydrophobicContact CE1-CD1 3.72Å; Y436-L440 HydrophobicContact CE1-CG 4.33Å; Y436-L440 HydrophobicContact CE2-CD1 4.2Å; Y436-L440 HydrophobicContact CE2-CD2 4.19Å; Y436-L440 HydrophobicContact CE2-CG 3.93Å; Y436-L440 PolarHBondContact O-N 3.48Å
437	R	96.6	Very high	96.7	Very high	157 Å²	157	45.4 Å²	45.4	59%	0.592	23%	0.226	S	C	*	.	H	α-helix	trans	-65.8	-32.5	171.3	-73.6	-176.2	-62.5	-93.1	2.4	112.9	A433 K434 E435 K441	A433-R437 WeakPolarHBondContact O-CG 3.44Å; A433-R437 PolarHBondContact O-N 2.9Å; A433-R437 PolarHBondContact O-NE 3.32Å; A433-R437 PolarHBondContact O-NH1 3.17Å; A433-R437 VanDerWaalsContact O-NH1 3.09Å; A433-R437 PolarHBondContact O-NH2 3.04Å; K434-R437 PolarHBondContact O-N 2.7Å; E435-R437 VanDerWaalsContact C-N 3.33Å; E435-R437 PolarHBondContact O-N 3.07Å; R437-K441 PolarHBondContact O-N 2.84Å
438	H	96.3	Very high	96.6	Very high	92 Å²	92	46.8 Å²	46.8	43%	0.426	24%	0.238	S	C	.	.	H	α-helix	trans	-66.8	-44.4	173	-173.8	80.3	0	0	0	111.6	Y279 K434 E435 Y436 K441 A442	Y279-H438 PolarHBondContact OH-CD2 2.86Å; Y279-H438 VanDerWaalsContact OH-CD2 3.24Å; Y279-H438 PolarHBondContact OH-NE2 2.9Å; K434-H438 PolarHBondContact O-N 2.89Å; K434-H438 VanDerWaalsContact O-N 3.14Å; E435-H438 WeakPolarHBondContact O-CA 3.37Å; E435-H438 WeakPolarHBondContact O-CB 3.38Å; E435-H438 PolarHBondContact O-N 2.91Å; E435-H438 VanDerWaalsContact O-N 3.08Å; Y436-H438 VanDerWaalsContact C-N 3.33Å; Y436-H438 PolarHBondContact O-N 3.17Å; H438-K441 PolarHBondContact O-N 3.06Å; H438-A442 PolarHBondContact O-N 3.49Å
439	L	97.3	Very high	96.6	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-51	173.6	174.2	63.3	0	0	0	111.2	L366 F368 V384 V416 L421 E435 Y436 K441 A442 M443	L366-L439 HydrophobicContact CD1-CD1 3.85Å; F368-L439 HydrophobicContact CE1-CD1 3.63Å; F368-L439 HydrophobicContact CZ-CD1 3.76Å; V384-L439 HydrophobicContact CG1-CD2 4.06Å; V416-L439 HydrophobicContact CG2-CD2 3.77Å; L421-L439 HydrophobicContact CD1-CD2 3.83Å; E435-L439 PolarHBondContact O-N 3.42Å; Y436-L439 HydrophobicContact CD2-CD2 4.5Å; Y436-L439 WeakPolarHBondContact O-CB 3.19Å; Y436-L439 PolarHBondContact O-N 3.12Å; L439-K441 VanDerWaalsContact C-N 3.32Å; L439-K441 PolarHBondContact O-N 2.92Å; L439-A442 PolarHBondContact O-N 2.86Å; L439-A442 VanDerWaalsContact O-N 3.17Å; L439-M443 HydrophobicContact CD1-CG 4.26Å; L439-M443 HydrophobicContact CD1-SD 4.36Å; L439-M443 HydrophobicContact CG-SD 4.32Å; L439-M443 WeakPolarHBondContact O-CG 3.36Å; L439-M443 PolarHBondContact O-N 2.85Å
440	L	97.3	Very high	96.6	Very high	26 Å²	26	43 Å²	43	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-41.5	177	-75.7	-179.3	0	0	0	112.2	E395 T397 Y436 M443 G444	E395-L440 HydrophobicContact CB-CD2 4.36Å; T397-L440 PolarHBondContact OG1-O 3.47Å; Y436-L440 HydrophobicContact CD1-CD1 4.38Å; Y436-L440 HydrophobicContact CD2-CG 4.46Å; Y436-L440 HydrophobicContact CE1-CD1 3.72Å; Y436-L440 HydrophobicContact CE1-CG 4.33Å; Y436-L440 HydrophobicContact CE2-CD1 4.2Å; Y436-L440 HydrophobicContact CE2-CD2 4.19Å; Y436-L440 HydrophobicContact CE2-CG 3.93Å; Y436-L440 PolarHBondContact O-N 3.48Å; L440-M443 PolarHBondContact O-N 3.01Å; L440-G444 PolarHBondContact O-N 2.9Å
441	K	96.3	Very high	96.6	Very high	128 Å²	128	44 Å²	44	56%	0.557	22%	0.222	S	C	*	.	H	α-helix	trans	-61.8	-47.4	175	-172.5	-178.2	-173.8	-94	0	111.3	R437 H438 L439 M443 G444 E445	R437-K441 PolarHBondContact O-N 2.84Å; H438-K441 PolarHBondContact O-N 3.06Å; L439-K441 VanDerWaalsContact C-N 3.32Å; L439-K441 PolarHBondContact O-N 2.92Å; K441-M443 VanDerWaalsContact C-N 3.33Å; K441-M443 PolarHBondContact O-N 2.81Å; K441-G444 WeakPolarHBondContact O-CA 3.23Å; K441-G444 PolarHBondContact O-N 2.99Å; K441-G444 VanDerWaalsContact O-N 3.08Å; K441-E445 IonicContact NZ-OE1 2.72Å; K441-E445 PolarHBondContact NZ-OE1 2.95Å; K441-E445 PolarHBondContact O-N 3.09Å
442	A	96.9	Very high	96.5	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-42.6	177.4	0	0	0	0	0	111.5	Y279 F368 H438 L439 G444 E445 H446	Y279-A442 HydrophobicContact CD2-CB 4.04Å; Y279-A442 HydrophobicContact CE2-CB 3.66Å; F368-A442 HydrophobicContact CE2-CB 4.16Å; F368-A442 HydrophobicContact CZ-CB 4.26Å; H438-A442 PolarHBondContact O-N 3.49Å; L439-A442 PolarHBondContact O-N 2.86Å; L439-A442 VanDerWaalsContact O-N 3.17Å; A442-G444 VanDerWaalsContact C-N 3.32Å; A442-G444 PolarHBondContact O-N 3.05Å; A442-E445 PolarHBondContact O-N 3.42Å; A442-H446 PolarHBondContact O-N 2.6Å; A442-H446 VanDerWaalsContact O-N 3.12Å; A442-H446 PolarHBondContact O-ND1 3.15Å
443	M	98	Very high	96.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-38.6	173.1	-68	-177.2	83.8	0	0	111.9	F368 F370 M382 V384 T397 V414 L439 L440 K441 H446 L447	F368-M443 HydrophobicContact CD1-CG 4Å; F368-M443 HydrophobicContact CD2-CG 4.07Å; F368-M443 HydrophobicContact CE1-CG 3.82Å; F368-M443 HydrophobicContact CE2-CG 3.87Å; F368-M443 HydrophobicContact CG-CG 4.13Å; F368-M443 HydrophobicContact CZ-CG 3.75Å; F370-M443 HydrophobicContact CZ-CB 4.47Å; F370-M443 WeakPolarHBondContact CZ-O 3.38Å; M382-M443 HydrophobicContact CB-CE 4.2Å; M382-M443 HydrophobicContact CG-CE 4.16Å; M382-M443 HydrophobicContact CG-SD 4.45Å; M382-M443 HydrophobicContact SD-CB 4.27Å; M382-M443 HydrophobicContact SD-CE 3.7Å; V384-M443 HydrophobicContact CG2-SD 4.43Å; T397-M443 HydrophobicContact CG2-CB 4.32Å; V414-M443 HydrophobicContact CB-CE 3.94Å; V414-M443 HydrophobicContact CB-SD 4.43Å; V414-M443 HydrophobicContact CG1-CE 3.58Å; V414-M443 HydrophobicContact CG1-SD 3.66Å; L439-M443 HydrophobicContact CD1-CG 4.26Å; L439-M443 HydrophobicContact CD1-SD 4.36Å; L439-M443 HydrophobicContact CG-SD 4.32Å; L439-M443 WeakPolarHBondContact O-CG 3.36Å; L439-M443 PolarHBondContact O-N 2.85Å; L440-M443 PolarHBondContact O-N 3.01Å; K441-M443 VanDerWaalsContact C-N 3.33Å; K441-M443 PolarHBondContact O-N 2.81Å; M443-H446 PolarHBondContact O-N 3.32Å; M443-L447 WeakPolarHBondContact O-CB 3.15Å; M443-L447 PolarHBondContact O-N 3.23Å
444	G	97.3	Very high	96.4	Very high	5 Å²	5	44.1 Å²	44.1	5%	0.052	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-39.4	175.3	0	0	0	0	0	114	T397 L440 K441 A442 L447 A448	T397-G444 WeakPolarHBondContact OG1-CA 3.46Å; L440-G444 PolarHBondContact O-N 2.9Å; K441-G444 WeakPolarHBondContact O-CA 3.23Å; K441-G444 PolarHBondContact O-N 2.99Å; K441-G444 VanDerWaalsContact O-N 3.08Å; A442-G444 VanDerWaalsContact C-N 3.32Å; A442-G444 PolarHBondContact O-N 3.05Å; G444-L447 PolarHBondContact O-N 3.01Å; G444-A448 PolarHBondContact O-N 3.05Å; G444-A448 VanDerWaalsContact O-N 3.11Å
445	E	96.6	Very high	96.2	Very high	80 Å²	80	40.6 Å²	40.6	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-41.9	173.7	-69.4	172.4	-161.9	0	0	111.6	K441 A442 Q449	K441-E445 IonicContact NZ-OE1 2.72Å; K441-E445 PolarHBondContact NZ-OE1 2.95Å; K441-E445 PolarHBondContact O-N 3.09Å; A442-E445 PolarHBondContact O-N 3.42Å; E445-Q449 PolarHBondContact O-N 2.82Å
446	H	97.8	Very high	96.1	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.046	18%	0.183	C	C	.	.	H	α-helix	trans	-74.5	-31.6	176.8	-67.9	81.2	0	0	0	113	Y279 F368 F370 A442 M443 A448 Q449 Y450	Y279-H446 AromaticContact CD2-CE1 3.96Å; F368-H446 HydrophobicContact CD2-CB 3.98Å; F368-H446 AromaticContact CD2-CG 3.77Å; F368-H446 AromaticContact CD2-ND1 3.76Å; F368-H446 AromaticContact CE2-ND1 3.63Å; F370-H446 HydrophobicContact CE2-CB 3.7Å; F370-H446 HydrophobicContact CZ-CB 4Å; A442-H446 PolarHBondContact O-N 2.6Å; A442-H446 VanDerWaalsContact O-N 3.12Å; A442-H446 PolarHBondContact O-ND1 3.15Å; M443-H446 PolarHBondContact O-N 3.32Å; H446-A448 VanDerWaalsContact C-N 3.35Å; H446-Q449 CarbonylContact O-C 3.6Å; H446-Q449 WeakPolarHBondContact O-CB 3.47Å; H446-Q449 PolarHBondContact O-N 2.91Å; H446-Y450 PolarHBondContact O-N 2.84Å
447	L	97.6	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-41.5	173.5	174.5	61.5	0	0	0	111.4	F370 M382 T397 Q400 C407 V410 M443 G444 Q449 Y450 W451	F370-L447 HydrophobicContact CD1-CB 4.29Å; F370-L447 HydrophobicContact CD1-CD1 3.8Å; F370-L447 HydrophobicContact CE1-CB 3.75Å; F370-L447 HydrophobicContact CE1-CD1 4.07Å; F370-L447 HydrophobicContact CE1-CG 4.44Å; F370-L447 HydrophobicContact CZ-CB 4.13Å; M382-L447 HydrophobicContact CE-CD1 4.44Å; M382-L447 HydrophobicContact CE-CD2 3.92Å; T397-L447 HydrophobicContact CG2-CD2 4.12Å; T397-L447 WeakPolarHBondContact O-CD2 3.22Å; Q400-L447 HydrophobicContact CG-CD2 4.01Å; C407-L447 HydrophobicContact CB-CD1 4.13Å; C407-L447 HydrophobicContact CB-CD2 4.1Å; C407-L447 HydrophobicContact CB-CG 4.03Å; V410-L447 HydrophobicContact CB-CD1 3.84Å; V410-L447 HydrophobicContact CG1-CD1 3.43Å; V410-L447 VanDerWaalsContact CG1-CD1 3.43Å; V410-L447 HydrophobicContact CG2-CD1 4.42Å; M443-L447 WeakPolarHBondContact O-CB 3.15Å; M443-L447 PolarHBondContact O-N 3.23Å; G444-L447 PolarHBondContact O-N 3.01Å; L447-Q449 VanDerWaalsContact C-N 3.33Å; L447-Q449 PolarHBondContact O-N 3.16Å; L447-Y450 WeakPolarHBondContact O-CB 3.23Å; L447-Y450 PolarHBondContact O-N 3.42Å; L447-W451 PolarHBondContact O-N 3.09Å
448	A	95.9	Very high	95.2	Very high	33 Å²	33	41 Å²	41	27%	0.273	21%	0.21	S	C	.	.	H	α-helix	trans	-63.1	-38.5	173.1	0	0	0	0	0	112	P399 G444 H446 W451 K452	P399-A448 HydrophobicContact CG-CB 4.17Å; G444-A448 PolarHBondContact O-N 3.05Å; G444-A448 VanDerWaalsContact O-N 3.11Å; H446-A448 VanDerWaalsContact C-N 3.35Å; A448-W451 PolarHBondContact O-N 2.84Å; A448-K452 WeakPolarHBondContact O-CG 3.2Å; A448-K452 PolarHBondContact O-N 3.33Å; A448-K452 VanDerWaalsContact O-N 3.11Å
449	Q	96.6	Very high	94.7	Very high	7 Å²	7	44 Å²	44	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-42.8	171.5	-174.7	66.7	52.7	0	0	112.1	Y277 E445 H446 L447 W451 K452 D453 V549 L550 K551	Y277-Q449 HydrophobicContact CE1-CB 4.37Å; Y277-Q449 HydrophobicContact CE1-CG 3.89Å; E445-Q449 PolarHBondContact O-N 2.82Å; H446-Q449 CarbonylContact O-C 3.6Å; H446-Q449 WeakPolarHBondContact O-CB 3.47Å; H446-Q449 PolarHBondContact O-N 2.91Å; L447-Q449 VanDerWaalsContact C-N 3.33Å; L447-Q449 PolarHBondContact O-N 3.16Å; Q449-W451 VanDerWaalsContact C-N 3.29Å; Q449-W451 PolarHBondContact O-N 2.99Å; Q449-K452 WeakPolarHBondContact O-CB 3.43Å; Q449-K452 PolarHBondContact O-N 3.16Å; Q449-D453 PolarHBondContact NE2-OD1 3.1Å; Q449-D453 WeakPolarHBondContact O-CB 3.33Å; Q449-D453 PolarHBondContact O-N 3.22Å; Q449-V549 WeakPolarHBondContact CG-O 3.22Å; Q449-L550 HydrophobicContact CB-CD1 3.86Å; Q449-L550 HydrophobicContact CG-CD1 4.4Å; Q449-K551 VanDerWaalsContact OE1-N 3.13Å
450	Y	97.6	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-44.8	175.8	173.8	-99.5	0	0	0	111.4	Y272 K273 R275 Y277 F370 G371 V372 V410 H446 L447 K452 D453 T454	Y272-Y450 PolarHBondContact O-OH 3.07Å; K273-Y450 WeakPolarHBondContact O-CE2 3.4Å; K273-Y450 PolarHBondContact O-OH 2.84Å; R275-Y450 HydrophobicContact CB-CD2 3.93Å; R275-Y450 HydrophobicContact CB-CE2 3.95Å; R275-Y450 HydrophobicContact CG-CD2 4.3Å; R275-Y450 HydrophobicContact CG-CE2 4.06Å; Y277-Y450 HydrophobicContact CE2-CD2 4.06Å; Y277-Y450 WeakPolarHBondContact OH-CA 3.19Å; F370-Y450 HydrophobicContact CB-CD1 3.79Å; F370-Y450 HydrophobicContact CB-CD2 3.64Å; F370-Y450 HydrophobicContact CB-CE1 4.18Å; F370-Y450 HydrophobicContact CB-CE2 4.04Å; F370-Y450 HydrophobicContact CB-CG 3.51Å; F370-Y450 HydrophobicContact CG-CG 4.23Å; F370-Y450 VanDerWaalsContact O-CE2 3.22Å; F370-Y450 WeakPolarHBondContact O-CE2 3.49Å; G371-Y450 WeakPolarHBondContact CA-OH 3.22Å; V372-Y450 HydrophobicContact CG2-CE1 4.22Å; V410-Y450 HydrophobicContact CG1-CD1 3.76Å; V410-Y450 HydrophobicContact CG1-CE1 3.67Å; V410-Y450 HydrophobicContact CG2-CD1 4.36Å; V410-Y450 HydrophobicContact CG2-CE1 4.1Å; H446-Y450 PolarHBondContact O-N 2.84Å; L447-Y450 WeakPolarHBondContact O-CB 3.23Å; L447-Y450 PolarHBondContact O-N 3.42Å; Y450-K452 PolarHBondContact O-N 2.79Å; Y450-D453 PolarHBondContact O-N 3.23Å; Y450-D453 VanDerWaalsContact O-N 3.15Å; Y450-T454 HydrophobicContact CD1-CG2 4.18Å; Y450-T454 HydrophobicContact CD2-CG2 4.25Å; Y450-T454 HydrophobicContact CE1-CG2 3.66Å; Y450-T454 HydrophobicContact CE2-CG2 3.74Å; Y450-T454 HydrophobicContact CG-CG2 4.45Å; Y450-T454 VanDerWaalsContact CZ-CG2 3.4Å; Y450-T454 WeakPolarHBondContact O-CG2 3.22Å; Y450-T454 PolarHBondContact O-N 2.7Å
451	W	95.7	Very high	94.2	Very high	25 Å²	25	45.4 Å²	45.4	10%	0.095	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.7	-165.8	-110.6	0	0	0	112.7	C407 V410 L447 A448 Q449 T454 I456 I461	C407-W451 VanDerWaalsContact SG-CB 3.52Å; V410-W451 HydrophobicContact CG2-CE3 3.82Å; V410-W451 HydrophobicContact CG2-CZ3 3.81Å; L447-W451 PolarHBondContact O-N 3.09Å; A448-W451 PolarHBondContact O-N 2.84Å; Q449-W451 VanDerWaalsContact C-N 3.29Å; Q449-W451 PolarHBondContact O-N 2.99Å; W451-T454 PolarHBondContact O-OG1 3.02Å; W451-I456 HydrophobicContact CE3-CD1 4.47Å; W451-I456 HydrophobicContact CH2-CB 4.35Å; W451-I456 HydrophobicContact CH2-CD1 4.44Å; W451-I456 HydrophobicContact CH2-CG2 3.85Å; W451-I456 HydrophobicContact CZ2-CB 4.5Å; W451-I456 HydrophobicContact CZ2-CG2 4.08Å; W451-I456 HydrophobicContact CZ3-CD1 3.98Å; W451-I456 HydrophobicContact CZ3-CG2 4.43Å; W451-I461 HydrophobicContact CZ2-CD1 3.99Å; W451-I461 HydrophobicContact CZ2-CG1 4.09Å; W451-I461 HydrophobicContact CZ2-CG2 4.39Å
452	K	94.3	Very high	94.1	Very high	103 Å²	103	43.3 Å²	43.3	45%	0.448	23%	0.234	S	C	.	.	H	α-helix	trans	-55.5	-52	169.4	-69.1	177.5	178.8	-178.6	0	110.7	A448 Q449 Y450 T454 N455 D553	A448-K452 WeakPolarHBondContact O-CG 3.2Å; A448-K452 PolarHBondContact O-N 3.33Å; A448-K452 VanDerWaalsContact O-N 3.11Å; Q449-K452 WeakPolarHBondContact O-CB 3.43Å; Q449-K452 PolarHBondContact O-N 3.16Å; Y450-K452 PolarHBondContact O-N 2.79Å; K452-T454 PolarHBondContact O-N 3.28Å; K452-N455 PolarHBondContact O-N 3.22Å; K452-N455 VanDerWaalsContact O-N 3.15Å; K452-N455 PolarHBondContact O-OD1 3.42Å; K452-D553 IonicContact NZ-OD1 3.27Å; K452-D553 IonicContact NZ-OD2 4Å; K452-D553 PolarHBondContact NZ-OD2 2.98Å
453	D	95.2	Very high	93.9	Very high	29 Å²	29	50.4 Å²	50.4	16%	0.155	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-30.1	-174.3	-84.1	15.1	0	0	0	114.5	R275 Y277 Q449 Y450 N455	R275-D453 IonicContact CZ-OD2 3.05Å; R275-D453 IonicContact NH1-OD2 2.7Å; R275-D453 PolarHBondContact NH1-OD2 2.86Å; Y277-D453 PolarHBondContact OH-OD2 2.98Å; Y277-D453 VanDerWaalsContact OH-OD2 3.04Å; Q449-D453 PolarHBondContact NE2-OD1 3.1Å; Q449-D453 WeakPolarHBondContact O-CB 3.33Å; Q449-D453 PolarHBondContact O-N 3.22Å; Y450-D453 PolarHBondContact O-N 3.23Å; Y450-D453 VanDerWaalsContact O-N 3.15Å; D453-N455 VanDerWaalsContact C-N 3.29Å; D453-N455 PolarHBondContact O-N 3.22Å; D453-N455 PolarHBondContact O-ND2 3.49Å
454	T	92.8	Very high	93.8	Very high	26 Å²	26	50.9 Å²	50.9	16%	0.16	27%	0.265	C	S	.	.	H	α-helix	trans	-72.7	-20.2	175.7	61.8	0	0	0	0	113.8	Y450 W451 K452 I456	Y450-T454 HydrophobicContact CD1-CG2 4.18Å; Y450-T454 HydrophobicContact CD2-CG2 4.25Å; Y450-T454 HydrophobicContact CE1-CG2 3.66Å; Y450-T454 HydrophobicContact CE2-CG2 3.74Å; Y450-T454 HydrophobicContact CG-CG2 4.45Å; Y450-T454 VanDerWaalsContact CZ-CG2 3.4Å; Y450-T454 WeakPolarHBondContact O-CG2 3.22Å; Y450-T454 PolarHBondContact O-N 2.7Å; W451-T454 PolarHBondContact O-OG1 3.02Å; K452-T454 PolarHBondContact O-N 3.28Å; T454-I456 HydrophobicContact CG2-CD1 4.28Å; T454-I456 PolarHBondContact O-N 2.89Å; T454-I456 WeakPolarHBondContact OG1-CD1 3.49Å; T454-I456 WeakPolarHBondContact OG1-CG1 2.79Å; T454-I456 PolarHBondContact OG1-N 3.35Å
455	N	91.5	Very high	93.8	Very high	65 Å²	65	50.8 Å²	50.8	35%	0.348	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	21.7	-172	-59.6	-68.2	0	0	0	115.1	K452 D453 A457 Q458 K459	K452-N455 PolarHBondContact O-N 3.22Å; K452-N455 VanDerWaalsContact O-N 3.15Å; K452-N455 PolarHBondContact O-OD1 3.42Å; D453-N455 VanDerWaalsContact C-N 3.29Å; D453-N455 PolarHBondContact O-N 3.22Å; D453-N455 PolarHBondContact O-ND2 3.49Å; N455-A457 VanDerWaalsContact C-N 3.29Å; N455-A457 PolarHBondContact O-N 3.07Å; N455-Q458 HydrophobicContact CB-CB 4.44Å; N455-Q458 HydrophobicContact CB-CG 4.5Å; N455-Q458 PolarHBondContact O-N 3.47Å; N455-Q458 VanDerWaalsContact O-N 3.17Å; N455-Q458 VanDerWaalsContact OD1-CD 3.26Å; N455-Q458 PolarHBondContact OD1-NE2 3.11Å; N455-Q458 PolarHBondContact OD1-OE1 2.85Å; N455-K459 PolarHBondContact O-N 3.42Å
456	I	92.1	Very high	93.7	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-58.3	-41.7	177.5	-70.6	166.2	0	0	0	111.1	Y272 V372 W451 T454 Q458 K459 G460 I461 F464	Y272-I456 HydrophobicContact CE1-CD1 4.47Å; V372-I456 HydrophobicContact CG2-CD1 3.9Å; W451-I456 HydrophobicContact CE3-CD1 4.47Å; W451-I456 HydrophobicContact CH2-CB 4.35Å; W451-I456 HydrophobicContact CH2-CD1 4.44Å; W451-I456 HydrophobicContact CH2-CG2 3.85Å; W451-I456 HydrophobicContact CZ2-CB 4.5Å; W451-I456 HydrophobicContact CZ2-CG2 4.08Å; W451-I456 HydrophobicContact CZ3-CD1 3.98Å; W451-I456 HydrophobicContact CZ3-CG2 4.43Å; T454-I456 HydrophobicContact CG2-CD1 4.28Å; T454-I456 PolarHBondContact O-N 2.89Å; T454-I456 WeakPolarHBondContact OG1-CD1 3.49Å; T454-I456 WeakPolarHBondContact OG1-CG1 2.79Å; T454-I456 PolarHBondContact OG1-N 3.35Å; I456-Q458 VanDerWaalsContact C-N 3.32Å; I456-Q458 PolarHBondContact O-N 2.99Å; I456-K459 PolarHBondContact O-N 2.93Å; I456-G460 PolarHBondContact O-N 2.77Å; I456-I461 HydrophobicContact CG2-CG1 4.42Å; I456-F464 HydrophobicContact CD1-CD2 4.44Å; I456-F464 HydrophobicContact CD1-CE1 4.07Å; I456-F464 HydrophobicContact CD1-CE2 3.93Å; I456-F464 HydrophobicContact CD1-CZ 3.74Å; I456-F464 HydrophobicContact CG1-CD2 4.04Å; I456-F464 HydrophobicContact CG1-CE2 3.94Å; I456-F464 HydrophobicContact CG1-CG 4.4Å; I456-F464 HydrophobicContact CG1-CZ 4.24Å; I456-F464 HydrophobicContact CG2-CB 4.05Å; I456-F464 HydrophobicContact CG2-CD1 3.84Å; I456-F464 HydrophobicContact CG2-CD2 4.23Å; I456-F464 HydrophobicContact CG2-CE1 4.38Å; I456-F464 HydrophobicContact CG2-CG 3.76Å
457	A	88.3	Confident	93.6	Very high	58 Å²	58	53.5 Å²	53.5	48%	0.479	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-40.4	177.3	0	0	0	0	0	113	N455 K459 G460	N455-A457 VanDerWaalsContact C-N 3.29Å; N455-A457 PolarHBondContact O-N 3.07Å; A457-K459 VanDerWaalsContact C-N 3.31Å; A457-K459 PolarHBondContact O-N 3.13Å; A457-G460 PolarHBondContact O-N 3.35Å
458	Q	87.1	Confident	93.5	Very high	157 Å²	157	53.5 Å²	53.5	73%	0.734	28%	0.278	S	S	*	.	H	α-helix	trans	-68.4	-28.6	179.5	-64.1	177.8	-3.3	0	0	112.9	N455 I456 G460	N455-Q458 HydrophobicContact CB-CB 4.44Å; N455-Q458 HydrophobicContact CB-CG 4.5Å; N455-Q458 PolarHBondContact O-N 3.47Å; N455-Q458 VanDerWaalsContact O-N 3.17Å; N455-Q458 VanDerWaalsContact OD1-CD 3.26Å; N455-Q458 PolarHBondContact OD1-NE2 3.11Å; N455-Q458 PolarHBondContact OD1-OE1 2.85Å; I456-Q458 VanDerWaalsContact C-N 3.32Å; I456-Q458 PolarHBondContact O-N 2.99Å; Q458-G460 VanDerWaalsContact C-N 3.33Å
459	K	86.1	Confident	93.5	Very high	154 Å²	154	52 Å²	52	67%	0.67	27%	0.266	S	S	*	.	H	α-helix	trans	-82.5	-10.9	176.2	-64.3	-170.4	175.3	-162.7	0	113.6	N455 I456 A457	N455-K459 PolarHBondContact O-N 3.42Å; I456-K459 PolarHBondContact O-N 2.93Å; A457-K459 VanDerWaalsContact C-N 3.31Å; A457-K459 PolarHBondContact O-N 3.13Å
460	G	92.3	Very high	93.5	Very high	26 Å²	26	52 Å²	52	27%	0.268	27%	0.265	S	S	.	.			trans	88.9	113.6	-172.9	0	0	0	0	0	111.5	I456 A457 Q458 V462 K463 F464	I456-G460 PolarHBondContact O-N 2.77Å; A457-G460 PolarHBondContact O-N 3.35Å; Q458-G460 VanDerWaalsContact C-N 3.33Å; G460-V462 VanDerWaalsContact C-N 3.33Å; G460-V462 PolarHBondContact O-N 2.7Å; G460-K463 PolarHBondContact O-N 3.08Å; G460-F464 PolarHBondContact O-N 2.92Å; G460-F464 VanDerWaalsContact O-N 3.1Å
461	I	92.7	Very high	93.4	Very high	39 Å²	39	56.8 Å²	56.8	20%	0.2	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-39.8	-172.4	-56.3	168.1	0	0	0	111.8	M405 W451 I456 F464 W465	M405-I461 HydrophobicContact CB-CG2 4.09Å; M405-I461 HydrophobicContact SD-CG2 4.39Å; W451-I461 HydrophobicContact CZ2-CD1 3.99Å; W451-I461 HydrophobicContact CZ2-CG1 4.09Å; W451-I461 HydrophobicContact CZ2-CG2 4.39Å; I456-I461 HydrophobicContact CG2-CG1 4.42Å; I461-F464 WeakPolarHBondContact O-CB 3.36Å; I461-F464 PolarHBondContact O-N 3.09Å; I461-W465 PolarHBondContact O-N 3.05Å
462	V	92.9	Very high	93.2	Very high	85 Å²	85	58.3 Å²	58.3	52%	0.515	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-52.6	178.7	-173.6	0	0	0	0	110.5	M405 G460 F464 W465 D466	M405-V462 HydrophobicContact SD-CG2 4.47Å; G460-V462 VanDerWaalsContact C-N 3.33Å; G460-V462 PolarHBondContact O-N 2.7Å; V462-F464 PolarHBondContact O-N 2.73Å; V462-W465 WeakPolarHBondContact O-CA 3.3Å; V462-W465 PolarHBondContact O-N 2.74Å; V462-D466 VanDerWaalsContact O-CG 3.23Å; V462-D466 PolarHBondContact O-N 3.14Å
463	K	94.4	Very high	93	Very high	154 Å²	154	58.7 Å²	58.7	67%	0.67	33%	0.328	S	S	*	.	H	α-helix	trans	-55.1	-38.1	178.2	-64.4	-175.9	177.9	-177.7	0	113.1	G460 D466 E467	G460-K463 PolarHBondContact O-N 3.08Å; K463-D466 WeakPolarHBondContact CA-OD2 3.24Å; K463-D466 PolarHBondContact O-N 2.88Å; K463-E467 PolarHBondContact O-N 3.36Å
464	F	95.6	Very high	92.8	Very high	9 Å²	9	60.4 Å²	60.4	4%	0.039	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-41.9	174.4	168.4	-94.1	0	0	0	112.4	Y272 V372 I374 I456 G460 I461 V462 F468	Y272-F464 HydrophobicContact CD1-CE2 4.16Å; Y272-F464 AromaticContact CD1-CZ 3.97Å; Y272-F464 HydrophobicContact CD1-CZ 3.97Å; Y272-F464 AromaticContact CE1-CE2 3.45Å; Y272-F464 HydrophobicContact CE1-CE2 3.45Å; Y272-F464 VanDerWaalsContact CE1-CE2 3.45Å; Y272-F464 AromaticContact CE1-CZ 3.72Å; Y272-F464 HydrophobicContact CE1-CZ 3.72Å; Y272-F464 AromaticContact CZ-CE2 3.91Å; V372-F464 HydrophobicContact CG1-CE1 4.27Å; V372-F464 HydrophobicContact CG1-CZ 4.28Å; I374-F464 HydrophobicContact CG2-CZ 4.06Å; I456-F464 HydrophobicContact CD1-CD2 4.44Å; I456-F464 HydrophobicContact CD1-CE1 4.07Å; I456-F464 HydrophobicContact CD1-CE2 3.93Å; I456-F464 HydrophobicContact CD1-CZ 3.74Å; I456-F464 HydrophobicContact CG1-CD2 4.04Å; I456-F464 HydrophobicContact CG1-CE2 3.94Å; I456-F464 HydrophobicContact CG1-CG 4.4Å; I456-F464 HydrophobicContact CG1-CZ 4.24Å; I456-F464 HydrophobicContact CG2-CB 4.05Å; I456-F464 HydrophobicContact CG2-CD1 3.84Å; I456-F464 HydrophobicContact CG2-CD2 4.23Å; I456-F464 HydrophobicContact CG2-CE1 4.38Å; I456-F464 HydrophobicContact CG2-CG 3.76Å; G460-F464 PolarHBondContact O-N 2.92Å; G460-F464 VanDerWaalsContact O-N 3.1Å; I461-F464 WeakPolarHBondContact O-CB 3.36Å; I461-F464 PolarHBondContact O-N 3.09Å; V462-F464 PolarHBondContact O-N 2.73Å; F464-F468 HydrophobicContact CD2-CE2 4.09Å; F464-F468 HydrophobicContact CE2-CD2 4.25Å; F464-F468 AromaticContact CE2-CE2 3.57Å; F464-F468 HydrophobicContact CE2-CE2 3.57Å; F464-F468 HydrophobicContact CZ-CD2 4.2Å; F464-F468 AromaticContact CZ-CE2 3.84Å; F464-F468 HydrophobicContact CZ-CE2 3.84Å; F464-F468 VanDerWaalsContact O-CD2 3.25Å; F464-F468 WeakPolarHBondContact O-CD2 3.41Å
465	W	96	Very high	92.7	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-75.5	-33.5	177.1	-70.9	118.8	0	0	0	112.7	V372 I374 R377 I461 V462 E467 F468 G469 Y470 W475	V372-W465 HydrophobicContact CG1-CH2 3.55Å; V372-W465 HydrophobicContact CG1-CZ2 4.02Å; V372-W465 HydrophobicContact CG1-CZ3 4.43Å; I374-W465 HydrophobicContact CG2-CZ3 4.25Å; R377-W465 HydrophobicContact CB-CE3 4.18Å; R377-W465 HydrophobicContact CB-CH2 3.54Å; R377-W465 HydrophobicContact CB-CZ2 4.15Å; R377-W465 HydrophobicContact CB-CZ3 3.56Å; I461-W465 PolarHBondContact O-N 3.05Å; V462-W465 WeakPolarHBondContact O-CA 3.3Å; V462-W465 PolarHBondContact O-N 2.74Å; W465-E467 VanDerWaalsContact C-N 3.33Å; W465-E467 PolarHBondContact O-N 3.46Å; W465-F468 PolarHBondContact O-N 2.85Å; W465-G469 PolarHBondContact O-N 3.45Å; W465-Y470 HydrophobicContact CB-CD2 4.48Å; W465-Y470 HydrophobicContact CD2-CD2 4.44Å; W465-Y470 AromaticContact CE3-CD2 3.5Å; W465-Y470 HydrophobicContact CE3-CD2 3.5Å; W465-Y470 AromaticContact CE3-CE2 3.53Å; W465-Y470 HydrophobicContact CE3-CE2 3.53Å; W465-Y470 HydrophobicContact CE3-CG 4.29Å; W465-Y470 HydrophobicContact CZ3-CD2 4.13Å; W465-Y470 AromaticContact CZ3-CE2 3.66Å; W465-Y470 HydrophobicContact CZ3-CE2 3.66Å; W465-Y470 PolarHBondContact O-N 3.47Å; W465-W475 AromaticContact CE2-CH2 3.72Å; W465-W475 AromaticContact CZ2-CH2 3.91Å; W465-W475 HydrophobicContact CZ2-CH2 3.91Å; W465-W475 HydrophobicContact CZ2-CZ2 4.25Å; W465-W475 AromaticContact NE1-CH2 3.48Å; W465-W475 AromaticContact NE1-CZ3 3.92Å
466	D	95.2	Very high	92.6	Very high	59 Å²	59	61.8 Å²	61.8	32%	0.316	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-40.6	172.3	-57.9	-32.9	0	0	0	111.5	V462 K463 F468 G469 Y485	V462-D466 VanDerWaalsContact O-CG 3.23Å; V462-D466 PolarHBondContact O-N 3.14Å; K463-D466 WeakPolarHBondContact CA-OD2 3.24Å; K463-D466 PolarHBondContact O-N 2.88Å; D466-F468 PolarHBondContact O-N 2.87Å; D466-G469 WeakPolarHBondContact O-CA 3.26Å; D466-G469 PolarHBondContact O-N 3.38Å; D466-Y485 VanDerWaalsContact O-CE1 3.27Å; D466-Y485 WeakPolarHBondContact O-CE1 3.37Å
467	E	96	Very high	92.5	Very high	88 Å²	88	62.7 Å²	62.7	41%	0.411	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-32.1	177.7	-164.2	-172.4	150	0	0	112.4	K463 W465 Y485 R488	K463-E467 PolarHBondContact O-N 3.36Å; W465-E467 VanDerWaalsContact C-N 3.33Å; W465-E467 PolarHBondContact O-N 3.46Å; E467-Y485 WeakPolarHBondContact O-CD1 3.43Å; E467-R488 IonicContact OE1-CZ 2.75Å; E467-R488 IonicContact OE1-NE 3.91Å; E467-R488 PolarHBondContact OE1-NE 2.97Å; E467-R488 IonicContact OE1-NH2 2.59Å; E467-R488 PolarHBondContact OE1-NH2 3.47Å
468	F	96.3	Very high	92.8	Very high	0 Å²	0	65 Å²	65	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.3	175.1	-65.2	-63	0	0	0	114.1	Y272 I374 F464 W465 D466 Y470 R488 R489 E492	Y272-F468 HydrophobicContact CE2-CZ 4.38Å; I374-F468 HydrophobicContact CB-CD1 4.5Å; I374-F468 HydrophobicContact CB-CD2 4.3Å; I374-F468 HydrophobicContact CB-CG 4.2Å; I374-F468 HydrophobicContact CD1-CD1 3.81Å; I374-F468 HydrophobicContact CD1-CE1 3.6Å; I374-F468 HydrophobicContact CD1-CG 4.34Å; I374-F468 HydrophobicContact CD1-CZ 3.99Å; I374-F468 HydrophobicContact CG2-CD2 3.83Å; I374-F468 HydrophobicContact CG2-CE2 3.96Å; I374-F468 HydrophobicContact CG2-CG 4.24Å; I374-F468 HydrophobicContact CG2-CZ 4.46Å; F464-F468 HydrophobicContact CD2-CE2 4.09Å; F464-F468 HydrophobicContact CE2-CD2 4.25Å; F464-F468 AromaticContact CE2-CE2 3.57Å; F464-F468 HydrophobicContact CE2-CE2 3.57Å; F464-F468 HydrophobicContact CZ-CD2 4.2Å; F464-F468 AromaticContact CZ-CE2 3.84Å; F464-F468 HydrophobicContact CZ-CE2 3.84Å; F464-F468 VanDerWaalsContact O-CD2 3.25Å; F464-F468 WeakPolarHBondContact O-CD2 3.41Å; W465-F468 PolarHBondContact O-N 2.85Å; D466-F468 PolarHBondContact O-N 2.87Å; F468-Y470 HydrophobicContact CB-CD2 4.33Å; F468-Y470 HydrophobicContact CB-CE2 4.39Å; F468-R488 HydrophobicContact CD1-CG 4.02Å; F468-R488 HydrophobicContact CE1-CG 3.9Å; F468-R489 HydrophobicContact CB-CG 4.1Å; F468-R489 HydrophobicContact CD1-CG 3.7Å; F468-R489 HydrophobicContact CG-CG 4.3Å; F468-R489 PolarHBondContact O-NH1 3.06Å; F468-E492 HydrophobicContact CE1-CG 4.1Å; F468-E492 HydrophobicContact CZ-CG 4.28Å
469	G	95.9	Very high	93.2	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	17.2	170	0	0	0	0	0	115.7	W465 D466 L471 S480	W465-G469 PolarHBondContact O-N 3.45Å; D466-G469 WeakPolarHBondContact O-CA 3.26Å; D466-G469 PolarHBondContact O-N 3.38Å; G469-L471 PolarHBondContact O-N 3.38Å; G469-S480 WeakPolarHBondContact O-CB 3.38Å; G469-S480 PolarHBondContact O-N 3.4Å
470	Y	96.4	Very high	93.7	Very high	6 Å²	6	52 Å²	52	2%	0.024	31%	0.313	C	S	.	.			trans	-81.1	61.7	177	-71.3	-89.3	0	0	0	112.6	I374 G375 Q376 R377 W465 F468 S472 P479	I374-Y470 WeakPolarHBondContact O-CE2 2.94Å; I374-Y470 PolarHBondContact O-OH 3.25Å; G375-Y470 PolarHBondContact O-OH 2.86Å; Q376-Y470 WeakPolarHBondContact CA-OH 3.43Å; Q376-Y470 PolarHBondContact N-OH 3.27Å; R377-Y470 HydrophobicContact CB-CE1 3.88Å; R377-Y470 HydrophobicContact CB-CE2 4.43Å; R377-Y470 VanDerWaalsContact CD-CD1 3.48Å; R377-Y470 HydrophobicContact CG-CD1 3.89Å; R377-Y470 HydrophobicContact CG-CE1 3.47Å; R377-Y470 VanDerWaalsContact CG-CE1 3.47Å; R377-Y470 PolarHBondContact N-OH 2.83Å; W465-Y470 HydrophobicContact CB-CD2 4.48Å; W465-Y470 HydrophobicContact CD2-CD2 4.44Å; W465-Y470 AromaticContact CE3-CD2 3.5Å; W465-Y470 HydrophobicContact CE3-CD2 3.5Å; W465-Y470 AromaticContact CE3-CE2 3.53Å; W465-Y470 HydrophobicContact CE3-CE2 3.53Å; W465-Y470 HydrophobicContact CE3-CG 4.29Å; W465-Y470 HydrophobicContact CZ3-CD2 4.13Å; W465-Y470 AromaticContact CZ3-CE2 3.66Å; W465-Y470 HydrophobicContact CZ3-CE2 3.66Å; W465-Y470 PolarHBondContact O-N 3.47Å; F468-Y470 HydrophobicContact CB-CD2 4.33Å; F468-Y470 HydrophobicContact CB-CE2 4.39Å; Y470-S472 PolarHBondContact O-N 2.86Å; Y470-S472 VanDerWaalsContact O-N 3.09Å; Y470-P479 HydrophobicContact CD1-CB 3.88Å; Y470-P479 HydrophobicContact CD2-CB 3.8Å; Y470-P479 HydrophobicContact CE1-CB 3.73Å; Y470-P479 VanDerWaalsContact CE1-CD 3.46Å; Y470-P479 HydrophobicContact CE1-CG 3.9Å; Y470-P479 HydrophobicContact CE2-CB 3.64Å; Y470-P479 HydrophobicContact CE2-CG 4.05Å; Y470-P479 HydrophobicContact CG-CB 3.93Å
471	L	94.1	Very high	93.8	Very high	101 Å²	101	56 Å²	56	53%	0.529	33%	0.332	S	S	.	.			trans	-67.9	-7.6	-174.8	-51.6	-178.3	0	0	0	114.3	G469 Y485	G469-L471 PolarHBondContact O-N 3.38Å; L471-Y485 HydrophobicContact CD1-CE2 4.26Å
472	S	92.3	Very high	93.9	Very high	57 Å²	57	57.9 Å²	57.9	40%	0.399	34%	0.34	S	S	.	.	S	Bend	trans	-91.9	137.2	178.6	-180	0	0	0	0	112	R377 Y470 S474	R377-S472 PolarHBondContact NH2-O 2.98Å; Y470-S472 PolarHBondContact O-N 2.86Å; Y470-S472 VanDerWaalsContact O-N 3.09Å; S472-S474 PolarHBondContact O-N 3.37Å; S472-S474 PolarHBondContact OG-N 3.44Å
473	A	89.8	Confident	93.8	Very high	112 Å²	112	58 Å²	58	93%	0.926	34%	0.338	S	S	*	.	S	Bend	trans	-65.6	-21.7	172.9	0	0	0	0	0	113.3	W475	A473-W475 PolarHBondContact O-N 2.94Å
474	S	90.9	Very high	93.8	Very high	65 Å²	65	57.7 Å²	57.7	46%	0.455	33%	0.333	S	S	.	.	S	Bend	trans	-74.8	124.3	174	177.5	0	0	0	0	110.6	R377 S472 A476 A477	R377-S474 PolarHBondContact NH2-O 3.48Å; S472-S474 PolarHBondContact O-N 3.37Å; S472-S474 PolarHBondContact OG-N 3.44Å; S474-A476 VanDerWaalsContact C-N 3.29Å; S474-A476 PolarHBondContact O-N 2.69Å; S474-A477 WeakPolarHBondContact O-CB 3.34Å; S474-A477 PolarHBondContact O-N 3.08Å
475	W	90.1	Very high	93.7	Very high	71 Å²	71	58.8 Å²	58.8	27%	0.269	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-38.9	179.6	-171.7	-91.8	0	0	0	112.6	R377 M405 W465 A473 A477	R377-W475 HydrophobicContact CB-CZ2 3.95Å; R377-W475 HydrophobicContact CG-CD2 4.18Å; R377-W475 HydrophobicContact CG-CZ2 3.92Å; R377-W475 WeakPolarHBondContact CG-O 3.19Å; R377-W475 PolarHBondContact NE-O 3.23Å; R377-W475 PolarHBondContact O-NE1 2.88Å; M405-W475 HydrophobicContact CB-CZ3 4.46Å; M405-W475 HydrophobicContact CG-CZ3 4.11Å; W465-W475 AromaticContact CE2-CH2 3.72Å; W465-W475 AromaticContact CZ2-CH2 3.91Å; W465-W475 HydrophobicContact CZ2-CH2 3.91Å; W465-W475 HydrophobicContact CZ2-CZ2 4.25Å; W465-W475 AromaticContact NE1-CH2 3.48Å; W465-W475 AromaticContact NE1-CZ3 3.92Å; A473-W475 PolarHBondContact O-N 2.94Å; W475-A477 VanDerWaalsContact C-N 3.28Å; W475-A477 PolarHBondContact O-N 3.08Å
476	A	89.3	Confident	93.6	Very high	48 Å²	48	61 Å²	61	40%	0.397	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17	-179.3	0	0	0	0	0	114	E378 S474	E378-A476 WeakPolarHBondContact OE2-CB 3.44Å; S474-A476 VanDerWaalsContact C-N 3.29Å; S474-A476 PolarHBondContact O-N 2.69Å
477	A	91.8	Very high	93.4	Very high	23 Å²	23	62 Å²	62	19%	0.19	35%	0.346	C	S	.	.	S	Bend	trans	-65.7	134.8	-179.4	0	0	0	0	0	111.5	S474 W475	S474-A477 WeakPolarHBondContact O-CB 3.34Å; S474-A477 PolarHBondContact O-N 3.08Å; W475-A477 VanDerWaalsContact C-N 3.28Å; W475-A477 PolarHBondContact O-N 3.08Å
478	P	93.6	Very high	93.3	Very high	107 Å²	107	61.3 Å²	61.3	70%	0.695	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-66.2	157.6	178.4	28.7	-35.6	0	0	0	111.5
479	P	96.2	Very high	93.2	Very high	12 Å²	12	63 Å²	63	8%	0.078	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-74.2	154	178	31.7	-33.5	0	0	0	111.7	G375 Y470 T481	G375-P479 WeakPolarHBondContact O-CG 3.47Å; Y470-P479 HydrophobicContact CD1-CB 3.88Å; Y470-P479 HydrophobicContact CD2-CB 3.8Å; Y470-P479 HydrophobicContact CE1-CB 3.73Å; Y470-P479 VanDerWaalsContact CE1-CD 3.46Å; Y470-P479 HydrophobicContact CE1-CG 3.9Å; Y470-P479 HydrophobicContact CE2-CB 3.64Å; Y470-P479 HydrophobicContact CE2-CG 4.05Å; Y470-P479 HydrophobicContact CG-CB 3.93Å; P479-T481 PolarHBondContact O-N 3.25Å
480	S	96	Very high	93	Very high	25 Å²	25	64.5 Å²	64.5	18%	0.175	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-48.9	136.6	178.3	174.4	0	0	0	0	112.2	G469 E482 R489	G469-S480 WeakPolarHBondContact O-CB 3.38Å; G469-S480 PolarHBondContact O-N 3.4Å; S480-E482 VanDerWaalsContact C-N 3.32Å; S480-E482 VanDerWaalsContact OG-CG 3.3Å; S480-E482 WeakPolarHBondContact OG-CG 3.45Å; S480-E482 PolarHBondContact OG-N 3.09Å; S480-E482 PolarHBondContact OG-OE1 3.23Å; S480-R489 PolarHBondContact O-NH1 2.92Å; S480-R489 PolarHBondContact O-NH2 3.34Å
481	T	94.4	Very high	92.8	Very high	109 Å²	109	69.1 Å²	69.1	67%	0.669	38%	0.381	S	S	*	.			trans	-86	-2	178.2	50.2	0	0	0	0	112.7	P479 K486	P479-T481 PolarHBondContact O-N 3.25Å; T481-K486 WeakPolarHBondContact O-CD 3.41Å; T481-K486 WeakPolarHBondContact O-CE 3.38Å
482	E	94.1	Very high	92.8	Very high	79 Å²	79	66.5 Å²	66.5	37%	0.369	37%	0.366	S	S	.	.	S	Bend	trans	-58	141.9	175.4	-65.6	163.4	-114.9	0	0	111.9	S480 R484 Y485 K486	S480-E482 VanDerWaalsContact C-N 3.32Å; S480-E482 VanDerWaalsContact OG-CG 3.3Å; S480-E482 WeakPolarHBondContact OG-CG 3.45Å; S480-E482 PolarHBondContact OG-N 3.09Å; S480-E482 PolarHBondContact OG-OE1 3.23Å; E482-R484 HydrophobicContact CB-CG 4.24Å; E482-R484 PolarHBondContact O-N 3.34Å; E482-R484 VanDerWaalsContact O-N 3.09Å; E482-R484 IonicContact OE1-NH2 3.73Å; E482-R484 IonicContact OE2-CZ 2.62Å; E482-R484 IonicContact OE2-NE 2.7Å; E482-R484 PolarHBondContact OE2-NE 2.98Å; E482-R484 IonicContact OE2-NH2 2.78Å; E482-R484 PolarHBondContact OE2-NH2 3.11Å; E482-Y485 HydrophobicContact CB-CD2 4.08Å; E482-Y485 PolarHBondContact O-N 3.33Å; E482-K486 PolarHBondContact O-N 3.48Å
483	L	91.4	Very high	92.7	Very high	88 Å²	88	65.4 Å²	65.4	46%	0.461	36%	0.355	S	S	.	.	H	α-helix	trans	-57.4	-31	-173.4	-173.9	57.7	0	0	0	113.6	R487 V515	L483-R487 HydrophobicContact CD1-CG 4.22Å; L483-R487 HydrophobicContact CG-CG 4.46Å; L483-R487 VanDerWaalsContact O-CB 3.25Å; L483-R487 WeakPolarHBondContact O-CB 3.23Å; L483-R487 WeakPolarHBondContact O-CG 3.26Å; L483-R487 PolarHBondContact O-N 2.7Å; L483-V515 HydrophobicContact CD1-CG1 4.26Å
484	R	93.6	Very high	92.7	Very high	148 Å²	148	63.8 Å²	63.8	56%	0.558	34%	0.336	S	S	*	.	H	α-helix	trans	-62.2	-46.7	174.7	59.4	177.5	169.7	151.8	2.8	112.6	E482 R488	E482-R484 HydrophobicContact CB-CG 4.24Å; E482-R484 PolarHBondContact O-N 3.34Å; E482-R484 VanDerWaalsContact O-N 3.09Å; E482-R484 IonicContact OE1-NH2 3.73Å; E482-R484 IonicContact OE2-CZ 2.62Å; E482-R484 IonicContact OE2-NE 2.7Å; E482-R484 PolarHBondContact OE2-NE 2.98Å; E482-R484 IonicContact OE2-NH2 2.78Å; E482-R484 PolarHBondContact OE2-NH2 3.11Å; R484-R488 WeakPolarHBondContact O-CB 3.14Å; R484-R488 PolarHBondContact O-N 3.42Å
485	Y	94.8	Very high	92.7	Very high	31 Å²	31	64 Å²	64	12%	0.122	33%	0.331	C	S	.	.	H	α-helix	trans	-76.6	-37.1	-178.7	-62.8	-62.7	0	0	0	111.6	D466 E467 L471 E482 R488 R489	D466-Y485 VanDerWaalsContact O-CE1 3.27Å; D466-Y485 WeakPolarHBondContact O-CE1 3.37Å; E467-Y485 WeakPolarHBondContact O-CD1 3.43Å; L471-Y485 HydrophobicContact CD1-CE2 4.26Å; E482-Y485 HydrophobicContact CB-CD2 4.08Å; E482-Y485 PolarHBondContact O-N 3.33Å; Y485-R488 PolarHBondContact O-N 3.48Å; Y485-R489 WeakPolarHBondContact O-CG 3.42Å; Y485-R489 PolarHBondContact O-N 3.27Å
486	K	92.9	Very high	92.8	Very high	50 Å²	50	61.9 Å²	61.9	22%	0.217	33%	0.326	C	S	.	.	H	α-helix	trans	-57.8	-48.7	170.2	-71.2	-166.1	176.4	-166.5	0	112	T481 E482 R489 A490 V515 D516	T481-K486 WeakPolarHBondContact O-CD 3.41Å; T481-K486 WeakPolarHBondContact O-CE 3.38Å; E482-K486 PolarHBondContact O-N 3.48Å; K486-R489 PolarHBondContact O-N 2.82Å; K486-A490 WeakPolarHBondContact O-CB 3.36Å; K486-A490 PolarHBondContact O-N 2.71Å; K486-V515 HydrophobicContact CB-CG1 3.98Å; K486-D516 WeakPolarHBondContact CD-OD1 3.43Å; K486-D516 WeakPolarHBondContact CD-OD2 3.48Å; K486-D516 WeakPolarHBondContact CE-OD2 3.25Å; K486-D516 IonicContact NZ-OD1 3.54Å; K486-D516 PolarHBondContact NZ-OD1 2.87Å; K486-D516 IonicContact NZ-OD2 3.53Å; K486-D516 PolarHBondContact NZ-OD2 2.64Å
487	R	91.5	Very high	93	Very high	81 Å²	81	60.9 Å²	60.9	31%	0.306	31%	0.314	S	S	.	.	H	α-helix	trans	-57.6	-47.9	173.9	-78.6	169.5	175	177.9	-1.2	111.4	L483 R489 A490 M491 M512 V515	L483-R487 HydrophobicContact CD1-CG 4.22Å; L483-R487 HydrophobicContact CG-CG 4.46Å; L483-R487 VanDerWaalsContact O-CB 3.25Å; L483-R487 WeakPolarHBondContact O-CB 3.23Å; L483-R487 WeakPolarHBondContact O-CG 3.26Å; L483-R487 PolarHBondContact O-N 2.7Å; R487-R489 PolarHBondContact O-N 3.23Å; R487-A490 PolarHBondContact O-N 3.1Å; R487-M491 VanDerWaalsContact O-CG 3.29Å; R487-M491 WeakPolarHBondContact O-CG 3.46Å; R487-M491 PolarHBondContact O-N 3.02Å; R487-M512 VanDerWaalsContact CZ-CE 3.43Å; R487-V515 HydrophobicContact CG-CG1 4.42Å; R487-V515 HydrophobicContact CG-CG2 4.01Å
488	R	94.3	Very high	93.2	Very high	74 Å²	74	60.3 Å²	60.3	28%	0.279	31%	0.307	S	S	.	.	H	α-helix	trans	-59.1	-41.9	179.4	-168.6	72.3	-167.4	96.2	9.5	112.7	E467 F468 R484 Y485 E492	E467-R488 IonicContact OE1-CZ 2.75Å; E467-R488 IonicContact OE1-NE 3.91Å; E467-R488 PolarHBondContact OE1-NE 2.97Å; E467-R488 IonicContact OE1-NH2 2.59Å; E467-R488 PolarHBondContact OE1-NH2 3.47Å; F468-R488 HydrophobicContact CD1-CG 4.02Å; F468-R488 HydrophobicContact CE1-CG 3.9Å; R484-R488 WeakPolarHBondContact O-CB 3.14Å; R484-R488 PolarHBondContact O-N 3.42Å; Y485-R488 PolarHBondContact O-N 3.48Å; R488-E492 IonicContact CZ-OE1 3.89Å; R488-E492 IonicContact NH1-OE1 2.75Å; R488-E492 PolarHBondContact NH1-OE1 2.95Å; R488-E492 IonicContact NH2-OE1 2.75Å; R488-E492 PolarHBondContact NH2-OE1 3.4Å; R488-E492 WeakPolarHBondContact O-CG 3.4Å
489	R	94.1	Very high	93.4	Very high	35 Å²	35	55.2 Å²	55.2	13%	0.132	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-43.5	174.7	-66.2	-172.1	-58.5	-94.9	10.8	112.1	I374 F468 S480 Y485 K486 R487 M491 E492 I493	I374-R489 HydrophobicContact CD1-CB 4.23Å; I374-R489 HydrophobicContact CD1-CG 4.24Å; I374-R489 WeakPolarHBondContact O-CD 3.35Å; F468-R489 HydrophobicContact CB-CG 4.1Å; F468-R489 HydrophobicContact CD1-CG 3.7Å; F468-R489 HydrophobicContact CG-CG 4.3Å; F468-R489 PolarHBondContact O-NH1 3.06Å; S480-R489 PolarHBondContact O-NH1 2.92Å; S480-R489 PolarHBondContact O-NH2 3.34Å; Y485-R489 WeakPolarHBondContact O-CG 3.42Å; Y485-R489 PolarHBondContact O-N 3.27Å; K486-R489 PolarHBondContact O-N 2.82Å; R487-R489 PolarHBondContact O-N 3.23Å; R489-M491 PolarHBondContact O-N 2.93Å; R489-E492 PolarHBondContact O-N 2.98Å; R489-I493 PolarHBondContact O-N 2.82Å
490	A	91.6	Very high	93.3	Very high	33 Å²	33	56.2 Å²	56.2	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-70.8	-25.2	-178	0	0	0	0	0	114.5	K486 R487 E492 F510 V515	K486-A490 WeakPolarHBondContact O-CB 3.36Å; K486-A490 PolarHBondContact O-N 2.71Å; R487-A490 PolarHBondContact O-N 3.1Å; A490-E492 VanDerWaalsContact C-N 3.27Å; A490-E492 PolarHBondContact O-N 2.83Å; A490-F510 HydrophobicContact CB-CE2 4.09Å; A490-V515 HydrophobicContact CB-CG2 4.13Å
491	M	91.9	Very high	93.2	Very high	102 Å²	102	63.1 Å²	63.1	50%	0.502	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.2	172.8	-74.2	168.7	168.5	0	0	113.4	R487 R489 F510	R487-M491 VanDerWaalsContact O-CG 3.29Å; R487-M491 WeakPolarHBondContact O-CG 3.46Å; R487-M491 PolarHBondContact O-N 3.02Å; R489-M491 PolarHBondContact O-N 2.93Å; M491-F510 HydrophobicContact CB-CE2 4.49Å; M491-F510 HydrophobicContact CE-CE1 3.76Å; M491-F510 HydrophobicContact CE-CZ 3.74Å; M491-F510 HydrophobicContact CG-CD1 4.4Å; M491-F510 HydrophobicContact CG-CD2 4.18Å; M491-F510 HydrophobicContact CG-CE1 3.91Å; M491-F510 HydrophobicContact CG-CE2 3.66Å; M491-F510 HydrophobicContact CG-CZ 3.52Å; M491-F510 HydrophobicContact SD-CZ 4.5Å
492	E	93.4	Very high	93.3	Very high	47 Å²	47	59.8 Å²	59.8	22%	0.22	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-7.6	-171	-69.4	-81.2	-176.9	0	0	113.3	Y272 I374 F468 R488 R489 A490	Y272-E492 HydrophobicContact CD2-CB 3.99Å; Y272-E492 HydrophobicContact CD2-CG 4.34Å; Y272-E492 WeakPolarHBondContact CD2-OE2 3.45Å; Y272-E492 HydrophobicContact CE2-CG 4.43Å; Y272-E492 VanDerWaalsContact CE2-OE2 3.23Å; Y272-E492 WeakPolarHBondContact CE2-OE2 3.42Å; I374-E492 HydrophobicContact CD1-CB 4.11Å; F468-E492 HydrophobicContact CE1-CG 4.1Å; F468-E492 HydrophobicContact CZ-CG 4.28Å; R488-E492 IonicContact CZ-OE1 3.89Å; R488-E492 IonicContact NH1-OE1 2.75Å; R488-E492 PolarHBondContact NH1-OE1 2.95Å; R488-E492 IonicContact NH2-OE1 2.75Å; R488-E492 PolarHBondContact NH2-OE1 3.4Å; R488-E492 WeakPolarHBondContact O-CG 3.4Å; R489-E492 PolarHBondContact O-N 2.98Å; A490-E492 VanDerWaalsContact C-N 3.27Å; A490-E492 PolarHBondContact O-N 2.83Å
493	I	91.9	Very high	93.4	Very high	33 Å²	33	57.7 Å²	57.7	17%	0.169	28%	0.278	C	S	.	.	S	Bend	trans	-132.5	106.2	177	-61.5	176.1	0	0	0	108.6	I374 R489	I374-I493 HydrophobicContact CD1-CD1 4.02Å; I374-I493 HydrophobicContact CD1-CG1 4.3Å; I374-I493 HydrophobicContact CG1-CD1 3.62Å; I374-I493 HydrophobicContact CG1-CG1 4.4Å; R489-I493 PolarHBondContact O-N 2.82Å
494	P	89.1	Confident	93.6	Very high	79 Å²	79	55.9 Å²	55.9	51%	0.513	27%	0.266	S	S	.	.			trans	-61.9	141.8	177.2	-23.2	34.2	0	0	0	112.8	T496 T507	P494-T496 PolarHBondContact O-N 3.4Å; P494-T507 HydrophobicContact CB-CG2 3.8Å
495	I	90.5	Very high	93.7	Very high	68 Å²	68	49.1 Å²	49.1	35%	0.349	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	114.8	175	-59	177.6	0	0	0	108.7	L508 Y519	I495-L508 HydrophobicContact CB-CB 4.4Å; I495-L508 HydrophobicContact CG2-CD1 4.02Å; I495-L508 PolarHBondContact O-N 3.5Å; I495-Y519 HydrophobicContact CD1-CE2 4.16Å; I495-Y519 HydrophobicContact CG2-CE2 4.41Å
496	T	92.7	Very high	93.8	Very high	28 Å²	28	47.7 Å²	47.7	17%	0.172	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.5	170.2	57.9	0	0	0	0	110.9	C269 P494 R506 T507	C269-T496 HydrophobicContact CB-CG2 4.12Å; P494-T496 PolarHBondContact O-N 3.4Å; T496-R506 WeakPolarHBondContact CA-O 3.24Å; T496-T507 HydrophobicContact CG2-CG2 4.48Å
497	I	93.7	Very high	93.7	Very high	27 Å²	27	46.7 Å²	46.7	14%	0.138	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.6	-177.4	-169.6	159.9	0	0	0	110.6	W505 R506 L508 Y519 W523	I497-W505 WeakPolarHBondContact O-CA 3.31Å; I497-R506 PolarHBondContact N-O 2.91Å; I497-R506 PolarHBondContact O-N 3.13Å; I497-L508 HydrophobicContact CG2-CD1 3.99Å; I497-L508 HydrophobicContact CG2-CD2 3.92Å; I497-L508 HydrophobicContact CG2-CG 3.88Å; I497-Y519 HydrophobicContact CD1-CG 4.22Å; I497-W523 HydrophobicContact CB-CE3 4.43Å; I497-W523 HydrophobicContact CD1-CB 3.72Å; I497-W523 HydrophobicContact CD1-CD2 3.85Å; I497-W523 HydrophobicContact CD1-CE3 4.33Å; I497-W523 HydrophobicContact CD1-CG 3.55Å; I497-W523 HydrophobicContact CG1-CB 4.35Å; I497-W523 HydrophobicContact CG1-CD2 4.03Å; I497-W523 HydrophobicContact CG1-CE3 3.99Å; I497-W523 HydrophobicContact CG1-CG 4.19Å; I497-W523 HydrophobicContact CG2-CD2 3.81Å; I497-W523 HydrophobicContact CG2-CE3 3.69Å; I497-W523 HydrophobicContact CG2-CH2 3.78Å; I497-W523 HydrophobicContact CG2-CZ2 3.86Å; I497-W523 HydrophobicContact CG2-CZ3 3.69Å
498	Q	95.9	Very high	93.7	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.1	179	-163.3	-169.1	17.4	0	0	110.6	R252 D500 L503 W505	R252-Q498 PolarHBondContact O-NE2 3.36Å; Q498-D500 PolarHBondContact O-N 2.9Å; Q498-L503 WeakPolarHBondContact CG-O 3.37Å; Q498-L503 PolarHBondContact NE2-O 3.25Å; Q498-W505 HydrophobicContact CB-CD2 4.13Å; Q498-W505 HydrophobicContact CB-CE3 4.16Å; Q498-W505 HydrophobicContact CB-CH2 4.03Å; Q498-W505 HydrophobicContact CB-CZ2 4.01Å; Q498-W505 HydrophobicContact CB-CZ3 4.12Å; Q498-W505 HydrophobicContact CG-CD2 4.38Å; Q498-W505 HydrophobicContact CG-CZ2 4.34Å
499	C	96.2	Very high	93.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.			trans	-67	126.3	171.2	177.9	0	0	0	0	110.7	K501 L503 K504 W523 C525	C499-K501 VanDerWaalsContact C-N 3.28Å; C499-K501 PolarHBondContact O-N 3.41Å; C499-L503 VanDerWaalsContact O-CA 3.28Å; C499-L503 WeakPolarHBondContact O-CA 3.37Å; C499-L503 PolarHBondContact O-N 2.85Å; C499-K504 PolarHBondContact N-O 3.34Å; C499-W523 HydrophobicContact CB-CZ3 4.11Å; C499-C525 VanDerWaalsContact CB-SG 3.59Å; C499-C525 PolarHBondContact SG-N 3.42Å; C499-C525 VanDerWaalsContact SG-N 3.4Å
500	D	95.3	Very high	92.9	Very high	34 Å²	34	45.1 Å²	45.1	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.4	-178.4	-158.2	59.5	0	0	0	114	R254 K261 Q498 W523 V524	R254-D500 WeakPolarHBondContact CD-OD1 3.23Å; R254-D500 IonicContact CZ-OD1 2.7Å; R254-D500 IonicContact NE-OD1 3.39Å; R254-D500 PolarHBondContact NH1-O 3.46Å; R254-D500 IonicContact NH1-OD1 3.15Å; R254-D500 PolarHBondContact NH1-OD1 2.81Å; R254-D500 IonicContact NH1-OD2 2.67Å; R254-D500 PolarHBondContact NH1-OD2 2.83Å; K261-D500 IonicContact NZ-OD1 2.72Å; K261-D500 PolarHBondContact NZ-OD1 2.92Å; Q498-D500 PolarHBondContact O-N 2.9Å; D500-W523 WeakPolarHBondContact CB-O 3.23Å; D500-W523 PolarHBondContact N-O 3.19Å; D500-V524 HydrophobicContact CB-CG1 4.35Å
501	K	94.5	Very high	92.4	Very high	169 Å²	169	47.1 Å²	47.1	74%	0.735	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-50.3	179.1	-75	-173	175.5	-166.5	0	114	C499 V524	C499-K501 VanDerWaalsContact C-N 3.28Å; C499-K501 PolarHBondContact O-N 3.41Å; K501-V524 HydrophobicContact CB-CG1 4.39Å; K501-V524 HydrophobicContact CD-CG1 4.15Å; K501-V524 HydrophobicContact CG-CG1 3.82Å
502	C	95.8	Very high	91.7	Very high	40 Å²	40	47.1 Å²	47.1	27%	0.27	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	7.2	-172.8	69.1	0	0	0	0	114.5	K504 C536	C502-K504 PolarHBondContact O-N 3.45Å; C502-C536 HydrophobicContact CB-CB 3.98Å
503	L	96.4	Very high	90.9	Very high	35 Å²	35	51.3 Å²	51.3	18%	0.183	27%	0.266	C	S	.	.			trans	57.2	4.8	178.2	-48.4	-178.3	0	0	0	115.9	R252 R254 Q498 C499	R252-L503 PolarHBondContact NH1-O 2.89Å; R254-L503 HydrophobicContact CG-CD2 3.86Å; Q498-L503 WeakPolarHBondContact CG-O 3.37Å; Q498-L503 PolarHBondContact NE2-O 3.25Å; C499-L503 VanDerWaalsContact O-CA 3.28Å; C499-L503 WeakPolarHBondContact O-CA 3.37Å; C499-L503 PolarHBondContact O-N 2.85Å
504	K	96.4	Very high	90.1	Very high	50 Å²	50	50 Å²	50	22%	0.217	26%	0.26	C	S	.	.			trans	-72.1	140.2	176.5	-69	178.8	-178.5	169.7	0	110.8	C499 C502 C536 D537 A538 E540	C499-K504 PolarHBondContact N-O 3.34Å; C502-K504 PolarHBondContact O-N 3.45Å; K504-C536 WeakPolarHBondContact CE-O 3.1Å; K504-C536 PolarHBondContact NZ-O 2.97Å; K504-D537 PolarHBondContact NZ-O 3.41Å; K504-A538 WeakPolarHBondContact CD-O 3.44Å; K504-A538 PolarHBondContact NZ-O 2.82Å; K504-E540 VanDerWaalsContact CA-OE2 3.28Å; K504-E540 WeakPolarHBondContact CA-OE2 3.36Å; K504-E540 HydrophobicContact CG-CB 4.49Å
505	W	95.8	Very high	89.6	Confident	6 Å²	6	47.4 Å²	47.4	2%	0.023	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.2	171.8	-72.3	91.1	0	0	0	110.7	P251 T264 R266 I497 Q498 E540	P251-W505 HydrophobicContact CB-CZ2 4.11Å; P251-W505 HydrophobicContact CG-CZ2 4.02Å; P251-W505 PolarHBondContact O-NE1 2.92Å; T264-W505 WeakPolarHBondContact O-CH2 3.46Å; R266-W505 VanDerWaalsContact NH2-CB 3.3Å; I497-W505 WeakPolarHBondContact O-CA 3.31Å; Q498-W505 HydrophobicContact CB-CD2 4.13Å; Q498-W505 HydrophobicContact CB-CE3 4.16Å; Q498-W505 HydrophobicContact CB-CH2 4.03Å; Q498-W505 HydrophobicContact CB-CZ2 4.01Å; Q498-W505 HydrophobicContact CB-CZ3 4.12Å; Q498-W505 HydrophobicContact CG-CD2 4.38Å; Q498-W505 HydrophobicContact CG-CZ2 4.34Å; W505-E540 PolarHBondContact N-OE2 3.24Å
506	R	94.9	Very high	89	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.1	172.9	-59.3	-48.1	-164.7	-165.7	-2.3	110.5	T496 I497 W523 C525 Q533 R535 A538 P539	T496-R506 WeakPolarHBondContact CA-O 3.24Å; I497-R506 PolarHBondContact N-O 2.91Å; I497-R506 PolarHBondContact O-N 3.13Å; R506-W523 HydrophobicContact CB-CH2 3.73Å; R506-W523 HydrophobicContact CB-CZ3 4.17Å; R506-W523 HydrophobicContact CG-CH2 3.69Å; R506-W523 HydrophobicContact CG-CZ3 3.97Å; R506-C525 PolarHBondContact NE-SG 2.8Å; R506-C525 VanDerWaalsContact NE-SG 3.42Å; R506-Q533 PolarHBondContact NE-O 2.83Å; R506-R535 PolarHBondContact NH2-O 3.39Å; R506-A538 PolarHBondContact NH1-O 3.11Å; R506-A538 PolarHBondContact NH2-O 2.78Å; R506-P539 PolarHBondContact NH1-O 3.47Å
507	T	92.6	Very high	88.5	Confident	30 Å²	30	52.8 Å²	52.8	18%	0.184	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.7	169.4	-47.6	0	0	0	0	108.2	P494 T496 Q533 Q541	P494-T507 HydrophobicContact CB-CG2 3.8Å; T496-T507 HydrophobicContact CG2-CG2 4.48Å; T507-Q533 PolarHBondContact O-NE2 2.9Å; T507-Q541 PolarHBondContact OG1-OE1 2.96Å; T507-Q541 VanDerWaalsContact OG1-OE1 3.13Å
508	L	90.4	Very high	87.9	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136.5	176.1	-55.3	-177	0	0	0	110.1	I495 I497 Y519 W523 N528	I495-L508 HydrophobicContact CB-CB 4.4Å; I495-L508 HydrophobicContact CG2-CD1 4.02Å; I495-L508 PolarHBondContact O-N 3.5Å; I497-L508 HydrophobicContact CG2-CD1 3.99Å; I497-L508 HydrophobicContact CG2-CD2 3.92Å; I497-L508 HydrophobicContact CG2-CG 3.88Å; L508-Y519 HydrophobicContact CD1-CD1 4.04Å; L508-Y519 HydrophobicContact CD1-CD2 4.4Å; L508-Y519 HydrophobicContact CD1-CE1 3.48Å; L508-Y519 VanDerWaalsContact CD1-CE1 3.48Å; L508-Y519 HydrophobicContact CD1-CE2 3.91Å; L508-Y519 HydrophobicContact CD1-CG 4.47Å; L508-Y519 VanDerWaalsContact CD1-CZ 3.41Å; L508-W523 HydrophobicContact CD2-CH2 4.35Å; L508-W523 HydrophobicContact CD2-CZ2 3.69Å; L508-N528 HydrophobicContact CD2-CB 4.44Å; L508-N528 WeakPolarHBondContact CD2-OD1 3.27Å
509	P	86.8	Confident	87.4	Confident	59 Å²	59	63 Å²	63	38%	0.383	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-66.6	147.8	174.2	28.7	-34.7	0	0	0	111.1	Q511 P529	P509-Q511 PolarHBondContact O-N 2.89Å; P509-P529 HydrophobicContact CG-CG 3.77Å
510	F	84.9	Confident	87.1	Confident	91 Å²	91	65.7 Å²	65.7	40%	0.399	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-66.1	127.9	176.3	177.2	-92	0	0	0	110.8	A490 M491 M512 V515	A490-F510 HydrophobicContact CB-CE2 4.09Å; M491-F510 HydrophobicContact CB-CE2 4.49Å; M491-F510 HydrophobicContact CE-CE1 3.76Å; M491-F510 HydrophobicContact CE-CZ 3.74Å; M491-F510 HydrophobicContact CG-CD1 4.4Å; M491-F510 HydrophobicContact CG-CD2 4.18Å; M491-F510 HydrophobicContact CG-CE1 3.91Å; M491-F510 HydrophobicContact CG-CE2 3.66Å; M491-F510 HydrophobicContact CG-CZ 3.52Å; M491-F510 HydrophobicContact SD-CZ 4.5Å; F510-M512 HydrophobicContact CE1-CG 4.33Å; F510-V515 HydrophobicContact CE2-CG2 4.07Å; F510-V515 HydrophobicContact CZ-CG2 4.27Å
511	Q	80.9	Confident	86.6	Confident	75 Å²	75	66.5 Å²	66.5	35%	0.35	32%	0.324	S	S	.	.			trans	-131	145.6	173.2	-65.3	179.2	-29	0	0	108.5	P509 D513 A514	P509-Q511 PolarHBondContact O-N 2.89Å; Q511-D513 PolarHBondContact O-N 3.11Å; Q511-A514 HydrophobicContact CB-CB 4.05Å; Q511-A514 WeakPolarHBondContact O-CB 3.37Å; Q511-A514 PolarHBondContact O-N 3.16Å
512	M	76.9	Confident	86.5	Confident	101 Å²	101	62.3 Å²	62.3	50%	0.498	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-63.5	-32.5	-178.1	-67.6	-167.3	67.6	0	0	112.6	R487 F510 A514	R487-M512 VanDerWaalsContact CZ-CE 3.43Å; F510-M512 HydrophobicContact CE1-CG 4.33Å; M512-A514 VanDerWaalsContact C-N 3.28Å; M512-A514 PolarHBondContact O-N 2.87Å
513	D	76.6	Confident	86.4	Confident	136 Å²	136	60.6 Å²	60.6	73%	0.727	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-84.9	0.5	177.9	-43.6	-50.5	0	0	0	113	Q511	Q511-D513 PolarHBondContact O-N 3.11Å
514	A	75.1	Confident	86.5	Confident	6 Å²	6	60.3 Å²	60.3	5%	0.05	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-88	-10	171.2	0	0	0	0	0	112.9	Q511 M512 D516 K517 Y519	Q511-A514 HydrophobicContact CB-CB 4.05Å; Q511-A514 WeakPolarHBondContact O-CB 3.37Å; Q511-A514 PolarHBondContact O-N 3.16Å; M512-A514 VanDerWaalsContact C-N 3.28Å; M512-A514 PolarHBondContact O-N 2.87Å; A514-D516 PolarHBondContact O-N 3.21Å; A514-K517 WeakPolarHBondContact O-CB 3.22Å; A514-K517 PolarHBondContact O-N 3.3Å; A514-Y519 WeakPolarHBondContact CB-OH 3.34Å
515	V	78.4	Confident	86.5	Confident	23 Å²	23	58 Å²	58	14%	0.139	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	129.4	174.9	-177.9	0	0	0	0	109.2	L483 K486 R487 A490 F510 K517	L483-V515 HydrophobicContact CD1-CG1 4.26Å; K486-V515 HydrophobicContact CB-CG1 3.98Å; R487-V515 HydrophobicContact CG-CG1 4.42Å; R487-V515 HydrophobicContact CG-CG2 4.01Å; A490-V515 HydrophobicContact CB-CG2 4.13Å; F510-V515 HydrophobicContact CE2-CG2 4.07Å; F510-V515 HydrophobicContact CZ-CG2 4.27Å; V515-K517 PolarHBondContact O-N 2.85Å; V515-K517 VanDerWaalsContact O-N 3.09Å
516	D	78.1	Confident	86.5	Confident	105 Å²	105	64.8 Å²	64.8	56%	0.561	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	1.1	-169.1	-63.4	-50.2	0	0	0	116.3	K486 A514 R518	K486-D516 WeakPolarHBondContact CD-OD1 3.43Å; K486-D516 WeakPolarHBondContact CD-OD2 3.48Å; K486-D516 WeakPolarHBondContact CE-OD2 3.25Å; K486-D516 IonicContact NZ-OD1 3.54Å; K486-D516 PolarHBondContact NZ-OD1 2.87Å; K486-D516 IonicContact NZ-OD2 3.53Å; K486-D516 PolarHBondContact NZ-OD2 2.64Å; A514-D516 PolarHBondContact O-N 3.21Å; D516-R518 PolarHBondContact O-N 2.96Å; D516-R518 VanDerWaalsContact O-N 3.12Å
517	K	82.8	Confident	86.5	Confident	104 Å²	104	69.2 Å²	69.2	45%	0.452	35%	0.351	S	S	.	.			trans	-65.3	112.6	-177.1	-175.2	172.2	-179.2	170.4	0	111.7	A514 V515 Y519	A514-K517 WeakPolarHBondContact O-CB 3.22Å; A514-K517 PolarHBondContact O-N 3.3Å; V515-K517 PolarHBondContact O-N 2.85Å; V515-K517 VanDerWaalsContact O-N 3.09Å; K517-Y519 HydrophobicContact CB-CE2 4.34Å; K517-Y519 HydrophobicContact CD-CE1 4.3Å; K517-Y519 HydrophobicContact CD-CE2 4.4Å; K517-Y519 HydrophobicContact CG-CE2 4.27Å; K517-Y519 WeakPolarHBondContact O-CD2 3.41Å; K517-Y519 PolarHBondContact O-N 2.9Å; K517-Y519 VanDerWaalsContact O-N 3.17Å
518	R	81.4	Confident	86.6	Confident	225 Å²	225	68.3 Å²	68.3	85%	0.849	35%	0.345	S	S	*	.			trans	-75.5	100.5	167	-67.8	-170.2	-179.6	-154.5	2.3	109.5	D516	D516-R518 PolarHBondContact O-N 2.96Å; D516-R518 VanDerWaalsContact O-N 3.12Å
519	Y	86.2	Confident	86.7	Confident	28 Å²	28	71.6 Å²	71.6	11%	0.11	37%	0.367	C	S	.	.			trans	-59	150.9	163.2	-65.8	-88.2	0	0	0	110.5	R263 I495 I497 L508 A514 K517	R263-Y519 PolarHBondContact NH1-O 3.05Å; R263-Y519 PolarHBondContact NH2-O 3.32Å; I495-Y519 HydrophobicContact CD1-CE2 4.16Å; I495-Y519 HydrophobicContact CG2-CE2 4.41Å; I497-Y519 HydrophobicContact CD1-CG 4.22Å; L508-Y519 HydrophobicContact CD1-CD1 4.04Å; L508-Y519 HydrophobicContact CD1-CD2 4.4Å; L508-Y519 HydrophobicContact CD1-CE1 3.48Å; L508-Y519 VanDerWaalsContact CD1-CE1 3.48Å; L508-Y519 HydrophobicContact CD1-CE2 3.91Å; L508-Y519 HydrophobicContact CD1-CG 4.47Å; L508-Y519 VanDerWaalsContact CD1-CZ 3.41Å; A514-Y519 WeakPolarHBondContact CB-OH 3.34Å; K517-Y519 HydrophobicContact CB-CE2 4.34Å; K517-Y519 HydrophobicContact CD-CE1 4.3Å; K517-Y519 HydrophobicContact CD-CE2 4.4Å; K517-Y519 HydrophobicContact CG-CE2 4.27Å; K517-Y519 WeakPolarHBondContact O-CD2 3.41Å; K517-Y519 PolarHBondContact O-N 2.9Å; K517-Y519 VanDerWaalsContact O-N 3.17Å
520	P	88.9	Confident	86.9	Confident	56 Å²	56	70.5 Å²	70.5	36%	0.364	36%	0.358	S	S	.	.			trans	-70	156.7	173.4	30.4	-34.3	0	0	0	111	W523 M527	P520-W523 WeakPolarHBondContact O-CB 3.49Å; P520-W523 PolarHBondContact O-N 2.76Å; P520-M527 HydrophobicContact CG-CE 3.77Å; P520-M527 HydrophobicContact CG-SD 4.36Å
521	D	85	Confident	87.2	Confident	51 Å²	51	70 Å²	70	27%	0.273	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-29.9	-179.4	-74.9	-9.3	0	0	0	112.4	K261 R263 W523	K261-D521 HydrophobicContact CB-CB 3.7Å; K261-D521 HydrophobicContact CD-CB 4.01Å; K261-D521 WeakPolarHBondContact CD-O 3.45Å; K261-D521 HydrophobicContact CG-CB 4.49Å; K261-D521 PolarHBondContact NZ-O 3.46Å; R263-D521 IonicContact CZ-OD1 3.92Å; R263-D521 VanDerWaalsContact CZ-OD1 3.27Å; R263-D521 IonicContact NE-OD1 2.84Å; R263-D521 PolarHBondContact NE-OD1 3.4Å; R263-D521 IonicContact NH2-OD1 3.5Å; R263-D521 PolarHBondContact NH2-OD1 3.09Å; D521-W523 PolarHBondContact O-N 2.94Å; D521-W523 VanDerWaalsContact O-N 3.11Å
522	S	91.6	Very high	87.8	Confident	81 Å²	81	71.8 Å²	71.8	57%	0.566	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	24.3	172.2	52.3	0	0	0	0	114.1	V524	S522-V524 PolarHBondContact O-N 3.09Å
523	W	95.4	Very high	88.5	Confident	3 Å²	3	67.7 Å²	67.7	1%	0.011	36%	0.357	C	S	.	.			trans	-62	134.4	-178	-173.4	93.8	0	0	0	112.3	I497 C499 D500 R506 L508 P520 D521 M527 N528	I497-W523 HydrophobicContact CB-CE3 4.43Å; I497-W523 HydrophobicContact CD1-CB 3.72Å; I497-W523 HydrophobicContact CD1-CD2 3.85Å; I497-W523 HydrophobicContact CD1-CE3 4.33Å; I497-W523 HydrophobicContact CD1-CG 3.55Å; I497-W523 HydrophobicContact CG1-CB 4.35Å; I497-W523 HydrophobicContact CG1-CD2 4.03Å; I497-W523 HydrophobicContact CG1-CE3 3.99Å; I497-W523 HydrophobicContact CG1-CG 4.19Å; I497-W523 HydrophobicContact CG2-CD2 3.81Å; I497-W523 HydrophobicContact CG2-CE3 3.69Å; I497-W523 HydrophobicContact CG2-CH2 3.78Å; I497-W523 HydrophobicContact CG2-CZ2 3.86Å; I497-W523 HydrophobicContact CG2-CZ3 3.69Å; C499-W523 HydrophobicContact CB-CZ3 4.11Å; D500-W523 WeakPolarHBondContact CB-O 3.23Å; D500-W523 PolarHBondContact N-O 3.19Å; R506-W523 HydrophobicContact CB-CH2 3.73Å; R506-W523 HydrophobicContact CB-CZ3 4.17Å; R506-W523 HydrophobicContact CG-CH2 3.69Å; R506-W523 HydrophobicContact CG-CZ3 3.97Å; L508-W523 HydrophobicContact CD2-CH2 4.35Å; L508-W523 HydrophobicContact CD2-CZ2 3.69Å; P520-W523 WeakPolarHBondContact O-CB 3.49Å; P520-W523 PolarHBondContact O-N 2.76Å; D521-W523 PolarHBondContact O-N 2.94Å; D521-W523 VanDerWaalsContact O-N 3.11Å; W523-M527 HydrophobicContact CG-CB 4.41Å; W523-M527 HydrophobicContact CG-SD 4.44Å; W523-M527 PolarHBondContact NE1-O 3.01Å; W523-N528 HydrophobicContact CH2-CB 4.04Å; W523-N528 HydrophobicContact CZ2-CB 3.72Å
524	V	97	Very high	89.4	Confident	30 Å²	30	63.4 Å²	63.4	18%	0.182	33%	0.334	C	S	.	.			trans	-127.8	161.7	179	-64.4	0	0	0	0	110.9	D500 K501 S522 L526 M527	D500-V524 HydrophobicContact CB-CG1 4.35Å; K501-V524 HydrophobicContact CB-CG1 4.39Å; K501-V524 HydrophobicContact CD-CG1 4.15Å; K501-V524 HydrophobicContact CG-CG1 3.82Å; S522-V524 PolarHBondContact O-N 3.09Å; V524-L526 HydrophobicContact CG2-CB 4.34Å; V524-L526 PolarHBondContact O-N 3.45Å; V524-M527 HydrophobicContact CG2-CG 3.94Å; V524-M527 HydrophobicContact CG2-SD 4.24Å; V524-M527 WeakPolarHBondContact O-CB 3.49Å; V524-M527 PolarHBondContact O-N 3.28Å
525	C	96.8	Very high	90.4	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-49.6	-38.4	-177.9	-64.9	0	0	0	0	113.6	C499 R506 M527 N528 D534 R535	C499-C525 VanDerWaalsContact CB-SG 3.59Å; C499-C525 PolarHBondContact SG-N 3.42Å; C499-C525 VanDerWaalsContact SG-N 3.4Å; R506-C525 PolarHBondContact NE-SG 2.8Å; R506-C525 VanDerWaalsContact NE-SG 3.42Å; C525-M527 PolarHBondContact O-N 2.76Å; C525-N528 WeakPolarHBondContact O-CB 3.48Å; C525-N528 PolarHBondContact O-N 2.75Å; C525-D534 CarbonylContact C-O 3.45Å; C525-D534 WeakPolarHBondContact CB-O 3.23Å; C525-D534 CarbonylContact O-C 3.48Å; C525-D534 VanDerWaalsContact O-CA 3.27Å; C525-D534 WeakPolarHBondContact O-CA 3.43Å; C525-D534 VanDerWaalsContact O-O 3.1Å; C525-R535 WeakPolarHBondContact CB-O 3.11Å; C525-R535 PolarHBondContact SG-O 3.23Å
526	L	96.1	Very high	91.3	Very high	149 Å²	149	69.5 Å²	69.5	78%	0.78	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-61.6	-12.3	-179.4	-169.1	61.8	0	0	0	113.7	V524 D534	V524-L526 HydrophobicContact CG2-CB 4.34Å; V524-L526 PolarHBondContact O-N 3.45Å; L526-D534 WeakPolarHBondContact CA-O 3.31Å; L526-D534 PolarHBondContact N-O 2.84Å
527	M	94.9	Very high	92.2	Very high	94 Å²	94	69.8 Å²	69.8	46%	0.463	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-94.8	12.1	174.3	-52.2	-177.6	75.6	0	0	112.8	P520 W523 V524 C525	P520-M527 HydrophobicContact CG-CE 3.77Å; P520-M527 HydrophobicContact CG-SD 4.36Å; W523-M527 HydrophobicContact CG-CB 4.41Å; W523-M527 HydrophobicContact CG-SD 4.44Å; W523-M527 PolarHBondContact NE1-O 3.01Å; V524-M527 HydrophobicContact CG2-CG 3.94Å; V524-M527 HydrophobicContact CG2-SD 4.24Å; V524-M527 WeakPolarHBondContact O-CB 3.49Å; V524-M527 PolarHBondContact O-N 3.28Å; C525-M527 PolarHBondContact O-N 2.76Å
528	N	94.4	Very high	92.8	Very high	10 Å²	10	65 Å²	65	5%	0.053	34%	0.342	C	S	.	.			trans	-93.1	125.3	175.1	-164.6	-6.6	0	0	0	110.5	L508 W523 C525 D530 Q533	L508-N528 HydrophobicContact CD2-CB 4.44Å; L508-N528 WeakPolarHBondContact CD2-OD1 3.27Å; W523-N528 HydrophobicContact CH2-CB 4.04Å; W523-N528 HydrophobicContact CZ2-CB 3.72Å; C525-N528 WeakPolarHBondContact O-CB 3.48Å; C525-N528 PolarHBondContact O-N 2.75Å; N528-D530 PolarHBondContact O-N 2.72Å; N528-D530 PolarHBondContact OD1-N 2.84Å; N528-Q533 WeakPolarHBondContact ND2-CB 3.46Å; N528-Q533 PolarHBondContact ND2-O 2.67Å
529	P	92	Very high	93.5	Very high	76 Å²	76	59.5 Å²	59.5	49%	0.494	34%	0.335	S	S	.	.	S	Bend	trans	-73	-4.1	174.1	29.8	-36.1	0	0	0	114.6	P509	P509-P529 HydrophobicContact CG-CG 3.77Å
530	D	91.1	Very high	93.9	Very high	37 Å²	37	60.2 Å²	60.2	20%	0.198	34%	0.34	C	S	.	.			trans	-89.5	111.3	170.2	173.7	17.3	0	0	0	111.5	N528 N532 Q533 D534	N528-D530 PolarHBondContact O-N 2.72Å; N528-D530 PolarHBondContact OD1-N 2.84Å; D530-N532 PolarHBondContact O-N 2.95Å; D530-N532 WeakPolarHBondContact OD1-CB 3.41Å; D530-N532 PolarHBondContact OD1-N 3.15Å; D530-N532 PolarHBondContact OD1-ND2 3.44Å; D530-Q533 HydrophobicContact CB-CB 4.42Å; D530-Q533 CarbonylContact O-C 3.52Å; D530-Q533 PolarHBondContact O-N 2.82Å; D530-Q533 WeakPolarHBondContact OD2-CG 3.28Å; D530-Q533 PolarHBondContact OD2-NE2 2.84Å; D530-D534 PolarHBondContact O-N 2.7Å
531	S	92.1	Very high	93.9	Very high	80 Å²	80	62.5 Å²	62.5	56%	0.559	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-1.6	179.5	61.6	0	0	0	0	115.3	D534 R535	S531-D534 WeakPolarHBondContact CA-OD2 3.33Å; S531-R535 PolarHBondContact O-NH1 3.23Å
532	N	92.7	Very high	93.9	Very high	113 Å²	113	68.6 Å²	68.6	60%	0.604	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-11.9	169.3	-54.9	-78.2	0	0	0	112.2	D530	D530-N532 PolarHBondContact O-N 2.95Å; D530-N532 WeakPolarHBondContact OD1-CB 3.41Å; D530-N532 PolarHBondContact OD1-N 3.15Å; D530-N532 PolarHBondContact OD1-ND2 3.44Å
533	Q	92.4	Very high	93.5	Very high	14 Å²	14	67.4 Å²	67.4	7%	0.065	36%	0.355	C	S	.	.	S	Bend	trans	-136.1	10.8	-171.5	-72.5	-173.3	87.3	0	0	113	R506 T507 N528 D530 R535	R506-Q533 PolarHBondContact NE-O 2.83Å; T507-Q533 PolarHBondContact O-NE2 2.9Å; N528-Q533 WeakPolarHBondContact ND2-CB 3.46Å; N528-Q533 PolarHBondContact ND2-O 2.67Å; D530-Q533 HydrophobicContact CB-CB 4.42Å; D530-Q533 CarbonylContact O-C 3.52Å; D530-Q533 PolarHBondContact O-N 2.82Å; D530-Q533 WeakPolarHBondContact OD2-CG 3.28Å; D530-Q533 PolarHBondContact OD2-NE2 2.84Å; Q533-R535 VanDerWaalsContact C-N 3.29Å; Q533-R535 PolarHBondContact O-N 2.95Å
534	D	95.1	Very high	93	Very high	46 Å²	46	74.5 Å²	74.5	25%	0.246	39%	0.393	C	S	.	.	S	Bend	trans	-73.9	-12.1	-179.9	61.6	-3.1	0	0	0	114.4	C525 L526 D530 S531	C525-D534 CarbonylContact C-O 3.45Å; C525-D534 WeakPolarHBondContact CB-O 3.23Å; C525-D534 CarbonylContact O-C 3.48Å; C525-D534 VanDerWaalsContact O-CA 3.27Å; C525-D534 WeakPolarHBondContact O-CA 3.43Å; C525-D534 VanDerWaalsContact O-O 3.1Å; L526-D534 WeakPolarHBondContact CA-O 3.31Å; L526-D534 PolarHBondContact N-O 2.84Å; D530-D534 PolarHBondContact O-N 2.7Å; S531-D534 WeakPolarHBondContact CA-OD2 3.33Å
535	R	96.7	Very high	92.8	Very high	109 Å²	109	74.9 Å²	74.9	41%	0.411	39%	0.392	S	S	.	.	S	Bend	trans	-125.2	162.4	-172.5	61.3	-172.3	172.7	-81.8	7	113.2	R506 C525 S531 Q533 D537 A538	R506-R535 PolarHBondContact NH2-O 3.39Å; C525-R535 WeakPolarHBondContact CB-O 3.11Å; C525-R535 PolarHBondContact SG-O 3.23Å; S531-R535 PolarHBondContact O-NH1 3.23Å; Q533-R535 VanDerWaalsContact C-N 3.29Å; Q533-R535 PolarHBondContact O-N 2.95Å; R535-D537 WeakPolarHBondContact CB-OD1 3.27Å; R535-D537 WeakPolarHBondContact CD-OD1 3.42Å; R535-D537 WeakPolarHBondContact CD-OD2 3.15Å; R535-D537 WeakPolarHBondContact CG-OD1 3.38Å; R535-D537 IonicContact NE-OD2 2.73Å; R535-D537 PolarHBondContact NE-OD2 3.18Å; R535-A538 HydrophobicContact CG-CB 3.76Å
536	C	97.1	Very high	92.7	Very high	48 Å²	48	78.5 Å²	78.5	32%	0.324	42%	0.416	S	S	.	.	S	Bend	trans	-87.2	-29.2	-168.8	-71.7	0	0	0	0	113.3	C502 K504	C502-C536 HydrophobicContact CB-CB 3.98Å; K504-C536 WeakPolarHBondContact CE-O 3.1Å; K504-C536 PolarHBondContact NZ-O 2.97Å
537	D	96.4	Very high	92.7	Very high	111 Å²	111	76 Å²	76	59%	0.594	41%	0.407	S	S	*	.	S	Bend	trans	-61.6	-46.2	170.2	56.3	-64.9	0	0	0	112	K504 R535	K504-D537 PolarHBondContact NZ-O 3.41Å; R535-D537 WeakPolarHBondContact CB-OD1 3.27Å; R535-D537 WeakPolarHBondContact CD-OD1 3.42Å; R535-D537 WeakPolarHBondContact CD-OD2 3.15Å; R535-D537 WeakPolarHBondContact CG-OD1 3.38Å; R535-D537 IonicContact NE-OD2 2.73Å; R535-D537 PolarHBondContact NE-OD2 3.18Å
538	A	96.1	Very high	92.6	Very high	4 Å²	4	71.8 Å²	71.8	3%	0.033	39%	0.387	C	S	.	.	S	Bend	trans	-48.3	139.6	-174	0	0	0	0	0	112.7	K504 R506 R535	K504-A538 WeakPolarHBondContact CD-O 3.44Å; K504-A538 PolarHBondContact NZ-O 2.82Å; R506-A538 PolarHBondContact NH1-O 3.11Å; R506-A538 PolarHBondContact NH2-O 2.78Å; R535-A538 HydrophobicContact CG-CB 3.76Å
539	P	94.9	Very high	92.5	Very high	109 Å²	109	76 Å²	76	71%	0.708	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-61.7	152.6	-173.3	25.4	-34.9	0	0	0	111.8	R506	R506-P539 PolarHBondContact NH1-O 3.47Å
540	E	94.9	Very high	92.5	Very high	44 Å²	44	74.4 Å²	74.4	21%	0.206	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-74.7	130.8	171.8	179.2	164.4	136.4	0	0	110.5	R252 R266 K504 W505 K542	R252-E540 IonicContact CZ-OE1 2.91Å; R252-E540 IonicContact CZ-OE2 2.69Å; R252-E540 IonicContact NH1-OE1 2.68Å; R252-E540 IonicContact NH1-OE2 3.48Å; R252-E540 PolarHBondContact NH1-OE2 2.98Å; R252-E540 VanDerWaalsContact NH2-CD 3.29Å; R252-E540 IonicContact NH2-OE1 3.37Å; R252-E540 PolarHBondContact NH2-OE1 3.22Å; R252-E540 IonicContact NH2-OE2 3.72Å; R252-E540 PolarHBondContact NH2-OE2 3.05Å; R252-E540 VanDerWaalsContact NH2-OE2 3.15Å; R266-E540 IonicContact CZ-OE1 2.78Å; R266-E540 IonicContact NH1-OE1 3.2Å; R266-E540 PolarHBondContact NH1-OE1 3.4Å; K504-E540 VanDerWaalsContact CA-OE2 3.28Å; K504-E540 WeakPolarHBondContact CA-OE2 3.36Å; K504-E540 HydrophobicContact CG-CB 4.49Å; W505-E540 PolarHBondContact N-OE2 3.24Å; E540-K542 PolarHBondContact O-N 3.25Å; E540-K542 VanDerWaalsContact O-N 3.1Å
541	Q	89.6	Confident	92.3	Very high	103 Å²	103	79.1 Å²	79.1	48%	0.481	42%	0.419	S	S	.	.			trans	-70.1	106	176.4	-171.1	-176.1	40.7	0	0	110	T507 Q543	T507-Q541 PolarHBondContact OG1-OE1 2.96Å; T507-Q541 VanDerWaalsContact OG1-OE1 3.13Å; Q541-Q543 PolarHBondContact O-N 2.9Å
542	K	84.9	Confident	91.4	Very high	179 Å²	179	83.3 Å²	83.3	78%	0.778	43%	0.427	S	S	*	.			trans	-62.6	133.5	170.3	-67.8	-174.2	179.4	-179.4	0	109.8	E540 N544	E540-K542 PolarHBondContact O-N 3.25Å; E540-K542 VanDerWaalsContact O-N 3.1Å; K542-N544 PolarHBondContact O-N 3.37Å
543	Q	82.8	Confident	89.9	Confident	56 Å²	56	83.4 Å²	83.4	26%	0.262	43%	0.428	S	S	.	.			trans	-87.2	110.7	-178.7	-67.6	-170.4	-9.2	0	0	111.3	C269 Q541 F545	C269-Q543 PolarHBondContact SG-NE2 3.36Å; C269-Q543 PolarHBondContact SG-OE1 2.68Å; Q541-Q543 PolarHBondContact O-N 2.9Å; Q543-F545 HydrophobicContact CB-CE1 4.38Å; Q543-F545 HydrophobicContact CB-CE2 4.46Å; Q543-F545 HydrophobicContact CB-CZ 4.11Å; Q543-F545 PolarHBondContact O-N 3.02Å; Q543-F545 VanDerWaalsContact OE1-CZ 3.29Å
544	N	85.9	Confident	87.9	Confident	153 Å²	153	92.1 Å²	92.1	82%	0.818	47%	0.465	S	S	*	.			trans	-96	90.1	-179.8	-65.3	-27.6	0	0	0	109.9	K542	K542-N544 PolarHBondContact O-N 3.37Å
545	F	92.5	Very high	86.1	Confident	37 Å²	37	93 Å²	93	16%	0.162	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-71.4	142.4	174.1	-58	-54.7	0	0	0	111.3	P274 V276 I369 Q543 V547	P274-F545 HydrophobicContact CB-CD1 3.67Å; P274-F545 HydrophobicContact CB-CE1 3.8Å; P274-F545 HydrophobicContact CB-CG 4.24Å; P274-F545 HydrophobicContact CB-CZ 4.47Å; P274-F545 HydrophobicContact CG-CD1 3.44Å; P274-F545 VanDerWaalsContact CG-CD1 3.44Å; P274-F545 HydrophobicContact CG-CE1 3.49Å; P274-F545 VanDerWaalsContact CG-CE1 3.49Å; P274-F545 HydrophobicContact CG-CG 4.44Å; V276-F545 HydrophobicContact CB-CB 4.41Å; V276-F545 HydrophobicContact CG1-CB 4.29Å; I369-F545 HydrophobicContact CD1-CD2 4.13Å; I369-F545 HydrophobicContact CD1-CE2 4.05Å; I369-F545 HydrophobicContact CG2-CD2 4.12Å; I369-F545 HydrophobicContact CG2-CE2 4.27Å; Q543-F545 HydrophobicContact CB-CE1 4.38Å; Q543-F545 HydrophobicContact CB-CE2 4.46Å; Q543-F545 HydrophobicContact CB-CZ 4.11Å; Q543-F545 PolarHBondContact O-N 3.02Å; Q543-F545 VanDerWaalsContact OE1-CZ 3.29Å; F545-V547 PolarHBondContact O-N 2.94Å
546	P	95.2	Very high	84.5	Confident	77 Å²	77	91 Å²	91	50%	0.5	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-55.5	128	173.5	-25.7	34.1	0	0	0	111.9	R275 V276 G548	R275-P546 WeakPolarHBondContact CA-O 3.08Å; R275-P546 HydrophobicContact CG-CB 4.46Å; V276-P546 PolarHBondContact N-O 2.89Å; V276-P546 VanDerWaalsContact N-O 3.08Å; P546-G548 PolarHBondContact O-N 2.78Å
547	V	94.8	Very high	83	Confident	96 Å²	96	92.6 Å²	92.6	58%	0.582	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.3	179	-173.7	0	0	0	0	109.4	V276 F545	V276-V547 HydrophobicContact CG1-CB 4.43Å; V276-V547 HydrophobicContact CG1-CG2 3.95Å; V276-V547 CarbonylContact O-C 3.56Å; V276-V547 WeakPolarHBondContact O-CA 3.33Å; F545-V547 PolarHBondContact O-N 2.94Å
548	G	92.8	Very high	81.7	Confident	5 Å²	5	94.6 Å²	94.6	5%	0.052	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	159	168.1	0	0	0	0	0	111.5	V276 Y277 P546	V276-G548 PolarHBondContact O-N 2.75Å; Y277-G548 WeakPolarHBondContact CD1-O 3.49Å; Y277-G548 VanDerWaalsContact CE1-C 3.44Å; Y277-G548 VanDerWaalsContact CE1-CA 3.42Å; P546-G548 PolarHBondContact O-N 2.78Å
549	V	92.4	Very high	80.4	Confident	99 Å²	99	98.3 Å²	98.3	60%	0.6	52%	0.515	S	S	*	.			trans	-126.8	127.8	-179.2	179.9	0	0	0	0	108.9	Q449 K551	Q449-V549 WeakPolarHBondContact CG-O 3.22Å; V549-K551 PolarHBondContact O-N 2.8Å
550	L	92	Very high	79.3	Confident	42 Å²	42	99 Å²	99	22%	0.22	51%	0.507	C	S	.	.			trans	-66.3	104	173	179.3	59.9	0	0	0	109.9	Q449 K552	Q449-L550 HydrophobicContact CB-CD1 3.86Å; Q449-L550 HydrophobicContact CG-CD1 4.4Å; L550-K552 HydrophobicContact CD2-CG 4.24Å; L550-K552 HydrophobicContact CG-CG 4.17Å; L550-K552 PolarHBondContact O-N 3.09Å
551	K	86.7	Confident	78.3	Confident	137 Å²	137	103.6 Å²	103.6	60%	0.596	53%	0.528	S	S	*	.			trans	-78.3	93.5	171.7	-63.1	177.8	-175.5	172.3	0	107.4	Q449 V549 D553	Q449-K551 VanDerWaalsContact OE1-N 3.13Å; V549-K551 PolarHBondContact O-N 2.8Å; K551-D553 VanDerWaalsContact C-N 3.34Å; K551-D553 PolarHBondContact O-N 3.17Å
552	K	72.8	Confident	77.7	Confident	168 Å²	168	106 Å²	106	73%	0.73	54%	0.537	S	S	*	.			trans	-66.3	99.9	165	-68	-170.3	176.7	-175.9	0	107.6	L550 K554	L550-K552 HydrophobicContact CD2-CG 4.24Å; L550-K552 HydrophobicContact CG-CG 4.17Å; L550-K552 PolarHBondContact O-N 3.09Å; K552-K554 PolarHBondContact O-N 2.86Å
553	D	61.1	Low	77.5	Confident	114 Å²	114	102 Å²	102	61%	0.61	52%	0.522	S	S	*	.			trans	-50.1	126	170.3	-63.9	-48.1	0	0	0	107.6	K452 K551 P555	K452-D553 IonicContact NZ-OD1 3.27Å; K452-D553 IonicContact NZ-OD2 4Å; K452-D553 PolarHBondContact NZ-OD2 2.98Å; K551-D553 VanDerWaalsContact C-N 3.34Å; K551-D553 PolarHBondContact O-N 3.17Å; D553-P555 VanDerWaalsContact O-CD 3.26Å; D553-P555 WeakPolarHBondContact O-CD 3.4Å; D553-P555 VanDerWaalsContact O-N 3.12Å
554	K	52.3	Low	77.3	Confident	197 Å²	197	104.2 Å²	104.2	86%	0.857	54%	0.535	S	S	*	.			trans	-63.6	115.6	-178.6	-77	-179.5	178.3	177.5	0	107.3	K552 T556	K552-K554 PolarHBondContact O-N 2.86Å; K554-T556 PolarHBondContact O-N 2.79Å
555	P	57.1	Low	77.2	Confident	66 Å²	66	99.7 Å²	99.7	43%	0.429	52%	0.518	S	S	.	.			trans	-59.8	128.8	-178.3	22.9	-31.9	0	0	0	108.6	D553 D559 K560	D553-P555 VanDerWaalsContact O-CD 3.26Å; D553-P555 WeakPolarHBondContact O-CD 3.4Å; D553-P555 VanDerWaalsContact O-N 3.12Å; P555-D559 HydrophobicContact CB-CB 4.12Å; P555-K560 HydrophobicContact CB-CG 4.17Å; P555-K560 HydrophobicContact CG-CG 4.28Å; P555-K560 WeakPolarHBondContact O-CE 3.47Å
556	T	62.7	Low	76.9	Confident	66 Å²	66	103.6 Å²	103.6	41%	0.405	54%	0.537	S	S	.	.			trans	-64.7	169.2	-174.5	65.6	0	0	0	0	110.7	K554 E558 D559 K560	K554-T556 PolarHBondContact O-N 2.79Å; T556-E558 PolarHBondContact O-N 3.26Å; T556-E558 PolarHBondContact OG1-N 3.45Å; T556-D559 WeakPolarHBondContact CB-OD2 3.14Å; T556-D559 WeakPolarHBondContact CG2-OD2 3.49Å; T556-D559 PolarHBondContact N-OD2 3.21Å; T556-D559 PolarHBondContact O-N 2.91Å; T556-D559 PolarHBondContact OG1-N 2.88Å; T556-D559 PolarHBondContact OG1-OD2 3.42Å; T556-K560 WeakPolarHBondContact O-CG 3.47Å; T556-K560 PolarHBondContact O-N 2.9Å
557	A	64.3	Low	76.5	Confident	81 Å²	81	105 Å²	105	67%	0.669	54%	0.535	S	S	*	.	H	α-helix	trans	-57	-40.2	172.4	0	0	0	0	0	110.9	Q561	A557-Q561 VanDerWaalsContact O-CB 3.26Å; A557-Q561 WeakPolarHBondContact O-CB 3.1Å; A557-Q561 PolarHBondContact O-N 3.46Å
558	E	69.9	Low	76.2	Confident	154 Å²	154	104.1 Å²	104.1	72%	0.72	53%	0.527	S	S	*	.	H	α-helix	trans	-67.9	-44.2	177.3	-60.2	-175.5	125.8	0	0	112.4	T556 K560 Q561 K562	T556-E558 PolarHBondContact O-N 3.26Å; T556-E558 PolarHBondContact OG1-N 3.45Å; E558-K560 VanDerWaalsContact C-N 3.34Å; E558-K560 PolarHBondContact O-N 3.28Å; E558-Q561 PolarHBondContact O-N 2.94Å; E558-K562 VanDerWaalsContact O-CB 3.23Å; E558-K562 WeakPolarHBondContact O-CB 3.47Å; E558-K562 PolarHBondContact O-N 3.3Å
559	D	68	Low	76	Confident	82 Å²	82	109.6 Å²	109.6	44%	0.439	55%	0.549	S	S	.	.	H	α-helix	trans	-60.3	-44.3	176.1	-64.8	-54.9	0	0	0	111.4	P555 T556 K562 E563	P555-D559 HydrophobicContact CB-CB 4.12Å; T556-D559 WeakPolarHBondContact CB-OD2 3.14Å; T556-D559 WeakPolarHBondContact CG2-OD2 3.49Å; T556-D559 PolarHBondContact N-OD2 3.21Å; T556-D559 PolarHBondContact O-N 2.91Å; T556-D559 PolarHBondContact OG1-N 2.88Å; T556-D559 PolarHBondContact OG1-OD2 3.42Å; D559-K562 PolarHBondContact O-N 2.85Å; D559-E563 WeakPolarHBondContact O-CB 3.49Å; D559-E563 PolarHBondContact O-N 2.72Å
560	K	72.3	Confident	75.7	Confident	124 Å²	124	109.9 Å²	109.9	54%	0.539	54%	0.544	S	S	.	.	H	α-helix	trans	-63.8	-41.5	176.1	-71.3	177.3	-178.8	179.8	0	111.8	P555 T556 E558 K562 L564	P555-K560 HydrophobicContact CB-CG 4.17Å; P555-K560 HydrophobicContact CG-CG 4.28Å; P555-K560 WeakPolarHBondContact O-CE 3.47Å; T556-K560 WeakPolarHBondContact O-CG 3.47Å; T556-K560 PolarHBondContact O-N 2.9Å; E558-K560 VanDerWaalsContact C-N 3.34Å; E558-K560 PolarHBondContact O-N 3.28Å; K560-K562 VanDerWaalsContact C-N 3.32Å; K560-L564 WeakPolarHBondContact O-CB 3.43Å; K560-L564 PolarHBondContact O-N 2.92Å
561	Q	73.6	Confident	75.2	Confident	139 Å²	139	114.6 Å²	114.6	65%	0.65	56%	0.564	S	S	*	*	H	α-helix	trans	-67.4	-34.8	178.1	-171.5	170.8	2	0	0	111.5	A557 E558 A565	A557-Q561 VanDerWaalsContact O-CB 3.26Å; A557-Q561 WeakPolarHBondContact O-CB 3.1Å; A557-Q561 PolarHBondContact O-N 3.46Å; E558-Q561 PolarHBondContact O-N 2.94Å; Q561-A565 VanDerWaalsContact O-CB 3.25Å; Q561-A565 WeakPolarHBondContact O-CB 3.47Å; Q561-A565 PolarHBondContact O-N 3.33Å
562	K	78.7	Confident	75.1	Confident	154 Å²	154	113.3 Å²	113.3	67%	0.67	56%	0.561	S	S	*	*	H	α-helix	trans	-72.5	-44.9	175.6	-169.1	176.3	-177.6	-179.7	0	112.2	E558 D559 K560 L564 A565 E566	E558-K562 VanDerWaalsContact O-CB 3.23Å; E558-K562 WeakPolarHBondContact O-CB 3.47Å; E558-K562 PolarHBondContact O-N 3.3Å; D559-K562 PolarHBondContact O-N 2.85Å; K560-K562 VanDerWaalsContact C-N 3.32Å; K562-L564 VanDerWaalsContact C-N 3.32Å; K562-L564 PolarHBondContact O-N 3.31Å; K562-A565 PolarHBondContact O-N 3.06Å; K562-E566 WeakPolarHBondContact O-CB 3.33Å; K562-E566 PolarHBondContact O-N 3.34Å
563	E	79.1	Confident	75.8	Confident	96 Å²	96	110.1 Å²	110.1	45%	0.449	55%	0.548	S	S	.	.	H	α-helix	trans	-62.5	-39.6	173	-168.2	-165.7	165.1	0	0	111.1	D559 K567	D559-E563 WeakPolarHBondContact O-CB 3.49Å; D559-E563 PolarHBondContact O-N 2.72Å; E563-K567 HydrophobicContact CG-CD 4.44Å; E563-K567 WeakPolarHBondContact O-CB 3.28Å; E563-K567 VanDerWaalsContact O-CG 3.3Å; E563-K567 WeakPolarHBondContact O-CG 3.13Å; E563-K567 PolarHBondContact O-N 3.37Å; E563-K567 WeakPolarHBondContact OE1-CE 3.5Å; E563-K567 IonicContact OE1-NZ 3.92Å; E563-K567 PolarHBondContact OE1-NZ 3.03Å
564	L	79.9	Confident	76.9	Confident	102 Å²	102	111.6 Å²	111.6	53%	0.534	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-45.5	174.4	-178.9	61.3	0	0	0	111.4	K560 K562 E566 K567 I568	K560-L564 WeakPolarHBondContact O-CB 3.43Å; K560-L564 PolarHBondContact O-N 2.92Å; K562-L564 VanDerWaalsContact C-N 3.32Å; K562-L564 PolarHBondContact O-N 3.31Å; L564-E566 VanDerWaalsContact C-N 3.34Å; L564-E566 PolarHBondContact O-N 2.84Å; L564-K567 PolarHBondContact O-N 2.83Å; L564-I568 HydrophobicContact CD1-CD1 4.1Å; L564-I568 HydrophobicContact CD1-CG1 4.36Å; L564-I568 HydrophobicContact CG-CD1 3.88Å; L564-I568 WeakPolarHBondContact O-CB 3.46Å; L564-I568 VanDerWaalsContact O-CG1 3.24Å; L564-I568 WeakPolarHBondContact O-CG1 3.5Å; L564-I568 PolarHBondContact O-N 2.97Å
565	A	82.6	Confident	78.2	Confident	57 Å²	57	106.8 Å²	106.8	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-62.5	-39.6	175.9	0	0	0	0	0	112.3	Q561 K562 I568 K569	Q561-A565 VanDerWaalsContact O-CB 3.25Å; Q561-A565 WeakPolarHBondContact O-CB 3.47Å; Q561-A565 PolarHBondContact O-N 3.33Å; K562-A565 PolarHBondContact O-N 3.06Å; A565-I568 PolarHBondContact O-N 3.46Å; A565-K569 WeakPolarHBondContact O-CB 3.45Å; A565-K569 PolarHBondContact O-N 2.94Å
566	E	86.7	Confident	79.3	Confident	120 Å²	120	108.3 Å²	108.3	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-69.5	-37.6	176.5	-170.4	166.4	-145.1	0	0	112.1	K562 L564 K569 Q570	K562-E566 WeakPolarHBondContact O-CB 3.33Å; K562-E566 PolarHBondContact O-N 3.34Å; L564-E566 VanDerWaalsContact C-N 3.34Å; L564-E566 PolarHBondContact O-N 2.84Å; E566-K569 PolarHBondContact O-N 3.08Å; E566-Q570 WeakPolarHBondContact O-CG 3.42Å; E566-Q570 PolarHBondContact O-N 3.45Å
567	K	87	Confident	80	Confident	107 Å²	107	107.8 Å²	107.8	47%	0.465	54%	0.536	S	S	.	.	H	α-helix	trans	-65.8	-42.5	170.9	-77.5	173	-178.2	169.8	0	112.7	E563 L564 K569 Q570 Q571	E563-K567 HydrophobicContact CG-CD 4.44Å; E563-K567 WeakPolarHBondContact O-CB 3.28Å; E563-K567 VanDerWaalsContact O-CG 3.3Å; E563-K567 WeakPolarHBondContact O-CG 3.13Å; E563-K567 PolarHBondContact O-N 3.37Å; E563-K567 WeakPolarHBondContact OE1-CE 3.5Å; E563-K567 IonicContact OE1-NZ 3.92Å; E563-K567 PolarHBondContact OE1-NZ 3.03Å; L564-K567 PolarHBondContact O-N 2.83Å; K567-K569 VanDerWaalsContact C-N 3.34Å; K567-Q570 PolarHBondContact O-N 3.03Å; K567-Q571 WeakPolarHBondContact O-CG 3.29Å; K567-Q571 PolarHBondContact O-N 3.36Å
568	I	87.8	Confident	80.4	Confident	77 Å²	77	109.4 Å²	109.4	40%	0.395	53%	0.533	S	S	.	.	H	α-helix	trans	-60	-47	174	-73.5	166.6	0	0	0	109.4	L564 A565 Q570 Q571 Q572	L564-I568 HydrophobicContact CD1-CD1 4.1Å; L564-I568 HydrophobicContact CD1-CG1 4.36Å; L564-I568 HydrophobicContact CG-CD1 3.88Å; L564-I568 WeakPolarHBondContact O-CB 3.46Å; L564-I568 VanDerWaalsContact O-CG1 3.24Å; L564-I568 WeakPolarHBondContact O-CG1 3.5Å; L564-I568 PolarHBondContact O-N 2.97Å; A565-I568 PolarHBondContact O-N 3.46Å; I568-Q570 PolarHBondContact O-N 3Å; I568-Q571 PolarHBondContact O-N 3.49Å; I568-Q571 VanDerWaalsContact O-N 3.16Å; I568-Q572 HydrophobicContact CG2-CG 4.4Å; I568-Q572 WeakPolarHBondContact O-CB 3.36Å; I568-Q572 WeakPolarHBondContact O-CG 3.35Å; I568-Q572 PolarHBondContact O-N 3.03Å
569	K	89.6	Confident	80.3	Confident	119 Å²	119	107.8 Å²	107.8	52%	0.517	53%	0.526	S	S	.	.	H	α-helix	trans	-59.9	-45.7	176.2	-173.9	173.4	-176.9	-80.1	0	112.2	A565 E566 K567 Q571 Q572 E573	A565-K569 WeakPolarHBondContact O-CB 3.45Å; A565-K569 PolarHBondContact O-N 2.94Å; E566-K569 PolarHBondContact O-N 3.08Å; K567-K569 VanDerWaalsContact C-N 3.34Å; K569-Q571 VanDerWaalsContact C-N 3.31Å; K569-Q571 PolarHBondContact O-N 3.33Å; K569-Q572 PolarHBondContact O-N 3.33Å; K569-E573 WeakPolarHBondContact CE-OE1 3.49Å; K569-E573 IonicContact NZ-OE1 3.21Å; K569-E573 PolarHBondContact NZ-OE1 2.89Å; K569-E573 WeakPolarHBondContact O-CB 3.45Å; K569-E573 WeakPolarHBondContact O-CG 3.43Å; K569-E573 PolarHBondContact O-N 3.41Å
570	Q	85.9	Confident	80.2	Confident	105 Å²	105	110.7 Å²	110.7	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-32.4	175.5	-74.2	-177.4	20.3	0	0	113.1	E566 K567 I568 K574	E566-Q570 WeakPolarHBondContact O-CG 3.42Å; E566-Q570 PolarHBondContact O-N 3.45Å; K567-Q570 PolarHBondContact O-N 3.03Å; I568-Q570 PolarHBondContact O-N 3Å; Q570-K574 WeakPolarHBondContact O-CB 3.44Å; Q570-K574 WeakPolarHBondContact O-CG 3.41Å; Q570-K574 PolarHBondContact O-N 3.17Å; Q570-K574 VanDerWaalsContact O-N 3.14Å
571	Q	82.1	Confident	79.3	Confident	141 Å²	141	110.3 Å²	110.3	66%	0.659	54%	0.543	S	S	*	.	H	α-helix	trans	-72.2	-38.5	172.6	-75.6	-171.1	-3.2	0	0	112	K567 I568 K569 K574 L575	K567-Q571 WeakPolarHBondContact O-CG 3.29Å; K567-Q571 PolarHBondContact O-N 3.36Å; I568-Q571 PolarHBondContact O-N 3.49Å; I568-Q571 VanDerWaalsContact O-N 3.16Å; K569-Q571 VanDerWaalsContact C-N 3.31Å; K569-Q571 PolarHBondContact O-N 3.33Å; Q571-K574 PolarHBondContact O-N 2.96Å; Q571-L575 WeakPolarHBondContact O-CB 3.5Å; Q571-L575 PolarHBondContact O-N 3.5Å
572	Q	84	Confident	78.2	Confident	110 Å²	110	107.4 Å²	107.4	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-66	-43.4	174.3	-73.7	171.1	-36.8	0	0	111.7	I568 K569 K574 L575 E576	I568-Q572 HydrophobicContact CG2-CG 4.4Å; I568-Q572 WeakPolarHBondContact O-CB 3.36Å; I568-Q572 WeakPolarHBondContact O-CG 3.35Å; I568-Q572 PolarHBondContact O-N 3.03Å; K569-Q572 PolarHBondContact O-N 3.33Å; Q572-K574 VanDerWaalsContact C-N 3.3Å; Q572-K574 PolarHBondContact O-N 3.31Å; Q572-L575 PolarHBondContact O-N 3.41Å; Q572-L575 VanDerWaalsContact O-N 3.14Å; Q572-E576 WeakPolarHBondContact O-CB 3.46Å; Q572-E576 PolarHBondContact O-N 3.08Å
573	E	87.7	Confident	76.5	Confident	102 Å²	102	105.1 Å²	105.1	48%	0.477	54%	0.536	S	S	.	.	H	α-helix	trans	-60	-38.8	173.4	-74.4	172.3	-178.7	0	0	111.9	K569 A577	K569-E573 WeakPolarHBondContact CE-OE1 3.49Å; K569-E573 IonicContact NZ-OE1 3.21Å; K569-E573 PolarHBondContact NZ-OE1 2.89Å; K569-E573 WeakPolarHBondContact O-CB 3.45Å; K569-E573 WeakPolarHBondContact O-CG 3.43Å; K569-E573 PolarHBondContact O-N 3.41Å; E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 2.7Å; E573-A577 VanDerWaalsContact O-N 3.07Å
574	K	83.9	Confident	75	Confident	144 Å²	144	108.2 Å²	108.2	63%	0.626	56%	0.555	S	S	*	*	H	α-helix	trans	-68.3	-40.8	171.7	-78.8	178.6	176.1	-179	0	113.1	Q570 Q571 Q572 A577 L578	Q570-K574 WeakPolarHBondContact O-CB 3.44Å; Q570-K574 WeakPolarHBondContact O-CG 3.41Å; Q570-K574 PolarHBondContact O-N 3.17Å; Q570-K574 VanDerWaalsContact O-N 3.14Å; Q571-K574 PolarHBondContact O-N 2.96Å; Q572-K574 VanDerWaalsContact C-N 3.3Å; Q572-K574 PolarHBondContact O-N 3.31Å; K574-A577 PolarHBondContact O-N 3.25Å; K574-L578 WeakPolarHBondContact O-CG 3.37Å; K574-L578 PolarHBondContact O-N 3.31Å
575	L	79.5	Confident	73.3	Confident	97 Å²	97	111.4 Å²	111.4	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-67	-42.3	179.8	-170.6	69.6	0	0	0	111.1	Q571 Q572 A577 L578 Q579	Q571-L575 WeakPolarHBondContact O-CB 3.5Å; Q571-L575 PolarHBondContact O-N 3.5Å; Q572-L575 PolarHBondContact O-N 3.41Å; Q572-L575 VanDerWaalsContact O-N 3.14Å; L575-A577 VanDerWaalsContact C-N 3.35Å; L575-L578 PolarHBondContact O-N 2.86Å; L575-Q579 WeakPolarHBondContact O-CB 3.31Å; L575-Q579 WeakPolarHBondContact O-CG 3.45Å; L575-Q579 PolarHBondContact O-N 3.14Å
576	E	80.8	Confident	72	Confident	97 Å²	97	113.8 Å²	113.8	45%	0.453	58%	0.578	S	S	.	*	H	α-helix	trans	-61.1	-41.8	171.1	-80.7	-166.9	-153.6	0	0	112	Q572 L578 Q579 K580	Q572-E576 WeakPolarHBondContact O-CB 3.46Å; Q572-E576 PolarHBondContact O-N 3.08Å; E576-L578 VanDerWaalsContact C-N 3.33Å; E576-L578 PolarHBondContact O-N 3.5Å; E576-Q579 PolarHBondContact O-N 3.43Å; E576-K580 VanDerWaalsContact O-CB 3.31Å; E576-K580 WeakPolarHBondContact O-CB 3.31Å; E576-K580 VanDerWaalsContact O-CD 3.31Å; E576-K580 WeakPolarHBondContact O-CD 3.46Å; E576-K580 WeakPolarHBondContact O-CG 3.49Å; E576-K580 PolarHBondContact O-N 2.8Å; E576-K580 IonicContact OE2-NZ 2.8Å; E576-K580 PolarHBondContact OE2-NZ 2.73Å
577	A	77.3	Confident	70.1	Confident	55 Å²	55	111.9 Å²	111.9	46%	0.455	58%	0.582	S	S	.	*	H	α-helix	trans	-61.3	-42.1	176.7	0	0	0	0	0	111.7	E573 K574 L575 K580 T581	E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 2.7Å; E573-A577 VanDerWaalsContact O-N 3.07Å; K574-A577 PolarHBondContact O-N 3.25Å; L575-A577 VanDerWaalsContact C-N 3.35Å; A577-K580 PolarHBondContact O-N 2.64Å; A577-T581 PolarHBondContact O-N 3.12Å; A577-T581 PolarHBondContact O-OG1 3.45Å
578	L	72.9	Confident	68.4	Low	115 Å²	115	109.5 Å²	109.5	60%	0.602	59%	0.588	S	S	*	*	H	α-helix	trans	-64.5	-45.3	174.6	-74	162.5	0	0	0	112.2	K574 L575 E576 K580 T581	K574-L578 WeakPolarHBondContact O-CG 3.37Å; K574-L578 PolarHBondContact O-N 3.31Å; L575-L578 PolarHBondContact O-N 2.86Å; E576-L578 VanDerWaalsContact C-N 3.33Å; E576-L578 PolarHBondContact O-N 3.5Å; L578-K580 VanDerWaalsContact C-N 3.33Å; L578-K580 PolarHBondContact O-N 3.42Å; L578-T581 PolarHBondContact O-N 3.06Å; L578-T581 VanDerWaalsContact O-N 3.13Å; L578-T581 PolarHBondContact O-OG1 3.23Å
579	Q	68.1	Low	66.3	Low	121 Å²	121	112.6 Å²	112.6	57%	0.565	61%	0.605	S	S	*	*	H	α-helix	trans	-64.9	-35.9	177.2	-72.2	175.2	-2.3	0	0	112.4	L575 E576 T581 S582	L575-Q579 WeakPolarHBondContact O-CB 3.31Å; L575-Q579 WeakPolarHBondContact O-CG 3.45Å; L575-Q579 PolarHBondContact O-N 3.14Å; E576-Q579 PolarHBondContact O-N 3.43Å; Q579-T581 PolarHBondContact O-N 2.97Å; Q579-S582 PolarHBondContact O-N 2.91Å; Q579-S582 VanDerWaalsContact O-N 3.16Å; Q579-S582 PolarHBondContact O-OG 2.94Å
580	K	65.8	Low	64	Low	142 Å²	142	113.4 Å²	113.4	62%	0.617	61%	0.614	S	S	*	*	H	α-helix	trans	-66.1	-21.4	174.9	-73.7	160.7	-175.1	166.5	0	112.7	E576 A577 L578	E576-K580 VanDerWaalsContact O-CB 3.31Å; E576-K580 WeakPolarHBondContact O-CB 3.31Å; E576-K580 VanDerWaalsContact O-CD 3.31Å; E576-K580 WeakPolarHBondContact O-CD 3.46Å; E576-K580 WeakPolarHBondContact O-CG 3.49Å; E576-K580 PolarHBondContact O-N 2.8Å; E576-K580 IonicContact OE2-NZ 2.8Å; E576-K580 PolarHBondContact OE2-NZ 2.73Å; A577-K580 PolarHBondContact O-N 2.64Å; L578-K580 VanDerWaalsContact C-N 3.33Å; L578-K580 PolarHBondContact O-N 3.42Å
581	T	53.3	Low	62	Low	117 Å²	117	117.8 Å²	117.8	72%	0.718	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-8.7	172.7	45.7	0	0	0	0	115.3	A577 L578 Q579	A577-T581 PolarHBondContact O-N 3.12Å; A577-T581 PolarHBondContact O-OG1 3.45Å; L578-T581 PolarHBondContact O-N 3.06Å; L578-T581 VanDerWaalsContact O-N 3.13Å; L578-T581 PolarHBondContact O-OG1 3.23Å; Q579-T581 PolarHBondContact O-N 2.97Å
582	S	50.1	Low	60.2	Low	77 Å²	77	120.1 Å²	120.1	54%	0.538	64%	0.639	S	S	.	*			trans	-115.2	73.1	-176.4	61.2	0	0	0	0	113.4	Q579 I584	Q579-S582 PolarHBondContact O-N 2.91Å; Q579-S582 VanDerWaalsContact O-N 3.16Å; Q579-S582 PolarHBondContact O-OG 2.94Å; S582-I584 PolarHBondContact O-N 2.68Å
583	T	42.4	Very low	58	Low	106 Å²	106	121.7 Å²	121.7	65%	0.65	65%	0.65	S	S	*	*			trans	-89.6	83.1	175.5	-34.1	0	0	0	0	112.4	K585	T583-K585 HydrophobicContact CG2-CG 4.18Å
584	I	47.5	Very low	55.5	Low	162 Å²	162	123.1 Å²	123.1	83%	0.831	67%	0.669	S	S	*	*			trans	-63.4	135.5	167	-59.9	175.4	0	0	0	108.7	S582	S582-I584 PolarHBondContact O-N 2.68Å
585	K	45.4	Very low	53.2	Low	168 Å²	168	123.3 Å²	123.3	73%	0.73	68%	0.676	S	S	*	*			trans	-136.2	135.4	178.4	-72.5	-171.6	178.5	179.2	0	112.5	T583	T583-K585 HydrophobicContact CG2-CG 4.18Å
586	S	54.5	Low	50.9	Low	108 Å²	108	127.4 Å²	127.4	76%	0.755	69%	0.692	S	S	*	*			trans	76.8	150.5	-179.6	85.6	0	0	0	0	116.1
587	A	46.3	Very low	48.7	Very low	80 Å²	80	128.4 Å²	128.4	66%	0.661	71%	0.705	S	S	*	*	S	Bend	trans	-96.8	23	-171.1	0	0	0	0	0	113.6	I590	A587-I590 HydrophobicContact CB-CD1 4.08Å
588	G	50.6	Low	46.3	Very low	57 Å²	57	131.7 Å²	131.7	59%	0.588	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-37.2	-175.5	0	0	0	0	0	114.1	I590	G588-I590 VanDerWaalsContact C-N 3.31Å; G588-I590 PolarHBondContact O-N 2.67Å
589	D	43.9	Very low	44.4	Very low	142 Å²	142	132.7 Å²	132.7	76%	0.759	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	1.9	-168.2	-63.5	-54.7	0	0	0	115.1	K591 K592	D589-K591 PolarHBondContact O-N 3.49Å; D589-K592 PolarHBondContact O-N 3Å
590	I	43	Very low	42.5	Very low	136 Å²	136	135.4 Å²	135.4	70%	0.697	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	36.9	178.7	-35.8	179.8	0	0	0	111.9	A587 G588	A587-I590 HydrophobicContact CB-CD1 4.08Å; G588-I590 VanDerWaalsContact C-N 3.31Å; G588-I590 PolarHBondContact O-N 2.67Å
591	K	42.4	Very low	41.4	Very low	196 Å²	196	133.7 Å²	133.7	85%	0.852	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.9	9.3	173	-73.3	-165.8	174.4	-175.6	0	114	D589	D589-K591 PolarHBondContact O-N 3.49Å
592	K	45.8	Very low	40.1	Very low	190 Å²	190	135.1 Å²	135.1	83%	0.826	75%	0.75	S	S	*	*	S	Bend	trans	-130.5	56.5	171.2	-74.8	-168.8	175.2	-178.3	0	112.9	D589	D589-K592 PolarHBondContact O-N 3Å
593	L	36.9	Very low	39.2	Very low	143 Å²	143	140.2 Å²	140.2	75%	0.749	77%	0.765	S	S	*	*			trans	-131.3	114.6	163.9	-72.1	175.4	0	0	0	109.3	L595	L593-L595 PolarHBondContact O-N 3.48Å
594	P	34.3	Very low	38.5	Very low	133 Å²	133	141.6 Å²	141.6	86%	0.864	77%	0.773	S	S	*	*			trans	-67.9	112	156.7	-11.7	28.3	0	0	0	107.8
595	L	36.5	Very low	37.7	Very low	148 Å²	148	139.9 Å²	139.9	78%	0.775	78%	0.776	S	S	*	*			trans	-76.6	138.4	161.3	-77.3	164.6	0	0	0	108.6	L593	L593-L595 PolarHBondContact O-N 3.48Å
596	E	30.8	Very low	37	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	78%	0.778	S	S	*	*				-162.1	131	121.8	-97.2	-71.6	101.3	0	0	106.6
597	V	34.2	Very low	35.8	Very low	118 Å²	118	140 Å²	140	72%	0.715	79%	0.788	S	S	*	*			trans	-140.5	117.6	180	170.9	0	0	0	0	108.5
598	S	27.7	Very low	34.9	Very low	123 Å²	123	140.6 Å²	140.6	86%	0.86	79%	0.792	S	S	*	*			trans	-106.2	87.7	168.9	-155.1	0	0	0	0	111.2
599	M	31.9	Very low	33.9	Very low	137 Å²	137	144.4 Å²	144.4	68%	0.675	80%	0.804	S	S	*	*				2.9	146.7	128.9	-69.6	-155.3	165.4	0	0	117.6
600	K	29.8	Very low	33.1	Very low	178 Å²	178	148.7 Å²	148.7	77%	0.774	81%	0.81	S	S	*	*			cis	-161.2	-172.1	12.3	-122	-172.8	176.2	-178.4	0	110.1
601	P	41.3	Very low	32.4	Very low	106 Å²	106	147.2 Å²	147.2	69%	0.688	81%	0.811	S	S	*	*			trans	-103.7	-179.4	-157.7	43.5	-42.2	0	0	0	115.1
602	T	27.2	Very low	31.7	Very low	146 Å²	146	142.6 Å²	142.6	90%	0.896	80%	0.804	S	S	*	*			trans	-143.5	153.3	146.2	-6.7	0	0	0	0	112.1
603	E	29.7	Very low	30.9	Very low	185 Å²	185	140 Å²	140	86%	0.864	80%	0.795	S	S	*	*			trans	-91.4	176.8	176	-65	-175.6	126.8	0	0	112.6
604	T	29	Very low	30.7	Very low	135 Å²	135	142.7 Å²	142.7	83%	0.828	80%	0.795	S	S	*	*			trans	-68.8	130.6	177.2	50.7	0	0	0	0	114
605	S	31.3	Very low	30.5	Very low	126 Å²	126	142.5 Å²	142.5	88%	0.881	79%	0.791	S	S	*	*				-177.1	153.8	114.9	40.7	0	0	0	0	109.8
606	G	30.6	Very low	30.4	Very low	76 Å²	76	139.9 Å²	139.9	78%	0.784	79%	0.791	S	S	*	*			trans	-123.5	157.2	-171.1	0	0	0	0	0	113.7
607	Q	28.1	Very low	30.2	Very low	203 Å²	203	137.7 Å²	137.7	95%	0.949	79%	0.79	S	S	*	*			trans	-148.3	155.7	158.6	-112.9	174	-6	0	0	109.2
608	A	28.7	Very low	30.3	Very low	91 Å²	91	143 Å²	143	75%	0.752	80%	0.798	S	S	*	*			trans	-102.7	142.1	-175.9	0	0	0	0	0	111.6
609	T	28.3	Very low	31	Very low	137 Å²	137	142.3 Å²	142.3	84%	0.84	79%	0.79	S	S	*	*			trans	-163.4	122.6	139.8	21.8	0	0	0	0	113.2
610	R	28.3	Very low	30.9	Very low	233 Å²	233	147.1 Å²	147.1	88%	0.879	80%	0.801	S	S	*	*			trans	32.5	136.1	138	-67	-177.4	168.3	175.8	-4.2	123.4
611	S	26.8	Very low	31.1	Very low	104 Å²	104	144 Å²	144	73%	0.727	80%	0.801	S	S	*	*				84.8	124.1	129.4	58.2	0	0	0	0	123.5
612	S	29.1	Very low	31.4	Very low	99 Å²	99	144.6 Å²	144.6	69%	0.692	81%	0.805	S	S	*	*			trans	66.2	146.1	142.1	-71.9	0	0	0	0	120.2
613	E	29.1	Very low	32.4	Very low	137 Å²	137	143.4 Å²	143.4	64%	0.64	80%	0.8	S	S	*	*			cis	-169.6	166.4	-18	-124.4	172.9	106.4	0	0	110.8
614	R	31.6	Very low	32.5	Very low	198 Å²	198	142 Å²	142	75%	0.747	80%	0.797	S	S	*	*			trans	59.7	111.9	149.5	-72.3	169.7	-175.9	-99.2	-4.2	119.9
615	T	30.7	Very low	33	Very low	130 Å²	130	141.9 Å²	141.9	80%	0.798	80%	0.799	S	S	*	*				60.5	135.6	84.7	63.4	0	0	0	0	116.2
616	A	33.4	Very low	33.1	Very low	93 Å²	93	140 Å²	140	77%	0.769	79%	0.792	S	S	*	*			cis	-145.8	-142.5	0.8	0	0	0	0	0	110.6
617	T	27.1	Very low	33.1	Very low	137 Å²	137	145.4 Å²	145.4	84%	0.84	80%	0.796	S	S	*	*			cis	-153.5	178.5	18.6	55	0	0	0	0	113.7
618	R	35.9	Very low	33.2	Very low	230 Å²	230	142.8 Å²	142.8	87%	0.868	79%	0.787	S	S	*	*			trans	-74.1	178.9	164.9	-118	-173.2	168.6	-174.7	-1.5	112.2
619	P	43	Very low	33.2	Very low	108 Å²	108	148.3 Å²	148.3	70%	0.701	79%	0.794	S	S	*	*			cis	-154.3	169.4	35.6	43.5	-21.2	0	0	0	122.6
620	R	29.2	Very low	33.3	Very low	238 Å²	238	149 Å²	149	90%	0.898	79%	0.793	S	S	*	*			trans	79.2	162.5	146	-81.7	174.9	178.5	175.2	-0.2	123.7
621	S	35.2	Very low	33.1	Very low	112 Å²	112	142.6 Å²	142.6	78%	0.783	79%	0.79	S	S	*	*			trans	-127.9	-169.4	-163	-14.5	0	0	0	0	111.6
622	P	47.6	Very low	34.6	Very low	119 Å²	119	143.2 Å²	143.2	77%	0.773	79%	0.792	S	S	*	*			cis	-132.3	-140.4	22.6	37.3	-11.2	0	0	0	112
623	P	48.5	Very low	34.5	Very low	120 Å²	120	144.4 Å²	144.4	78%	0.779	80%	0.8	S	S	*	*			cis	-134.6	-122.9	-4.8	42.1	-18.3	0	0	0	117
624	L	31.2	Very low	34.5	Very low	155 Å²	155	145.6 Å²	145.6	81%	0.812	81%	0.809	S	S	*	*			trans	-159.4	164.9	-156.8	-97.3	171.3	0	0	0	112.1
625	P	40.1	Very low	35.4	Very low	133 Å²	133	141.8 Å²	141.8	86%	0.864	81%	0.81	S	S	*	*				-151.2	-177.2	80.8	39.9	-18	0	0	0	118
626	A	32.3	Very low	36.1	Very low	88 Å²	88	141.3 Å²	141.3	73%	0.727	81%	0.809	S	S	*	*			trans	-121.1	176.2	-159	0	0	0	0	0	116.8
627	H	30.9	Very low	35.9	Very low	188 Å²	188	141.3 Å²	141.3	87%	0.87	80%	0.803	S	S	*	*			trans	-172.1	173.7	130.4	-118.4	-94.8	0	0	0	117.2
628	L	29.2	Very low	36	Very low	148 Å²	148	145.3 Å²	145.3	78%	0.775	80%	0.803	S	S	*	*			trans	-102.1	162.6	-168.4	-60	143.7	0	0	0	115.9
629	K	30.6	Very low	35.7	Very low	207 Å²	207	140 Å²	140	90%	0.9	80%	0.796	S	S	*	*				-178.4	172	129.4	-105.1	170	-177.2	179.6	0	117.5
630	N	29.4	Very low	34.9	Very low	153 Å²	153	139 Å²	139	82%	0.818	80%	0.797	S	S	*	*			trans	-120.5	147.2	-168.6	-62.6	-19.3	0	0	0	115.1
631	A	24.7	Very low	35	Very low	97 Å²	97	132.9 Å²	132.9	80%	0.802	79%	0.791	S	S	*	*			trans	63.7	-172.3	136.7	0	0	0	0	0	119.8
632	P	57.4	Low	34.8	Very low	118 Å²	118	136.8 Å²	136.8	77%	0.766	80%	0.797	S	S	*	*				-135.7	176.9	-117.7	37.5	-14.9	0	0	0	117.3
633	S	26.4	Very low	33.7	Very low	124 Å²	124	142.4 Å²	142.4	87%	0.867	80%	0.802	S	S	*	*			trans	172.6	168.7	145.4	42.4	0	0	0	0	114.2
634	I	30.1	Very low	33.3	Very low	162 Å²	162	141.4 Å²	141.4	83%	0.831	80%	0.796	S	S	*	*			trans	-143.2	124.8	-171.1	-69.7	161.1	0	0	0	108.5
635	P	50.1	Low	33.1	Very low	118 Å²	118	139.8 Å²	139.8	77%	0.766	79%	0.793	S	S	*	*				-148.3	-156.6	98.5	39.6	-18.6	0	0	0	110.9
636	P	46.3	Very low	32.6	Very low	120 Å²	120	144.6 Å²	144.6	78%	0.779	79%	0.794	S	S	*	*			cis	-138.1	-161.3	-1	44.7	-24.1	0	0	0	116.4
637	S	27.9	Very low	32.4	Very low	93 Å²	93	144.6 Å²	144.6	65%	0.65	79%	0.793	S	S	*	*			trans	-72.4	160	178	57.5	0	0	0	0	116
638	R	30.6	Very low	32.2	Very low	221 Å²	221	141.3 Å²	141.3	83%	0.834	79%	0.792	S	S	*	*				178.7	168.9	83.5	-87.7	-159.5	-179.5	-175	0.2	111
639	T	28.5	Very low	32.1	Very low	118 Å²	118	138.9 Å²	138.9	72%	0.724	79%	0.793	S	S	*	*			cis	-176.7	160.6	-28.6	34.3	0	0	0	0	107.1
640	A	27.6	Very low	32	Very low	88 Å²	88	133.8 Å²	133.8	73%	0.727	79%	0.789	S	S	*	*			cis	179.8	145.1	-29.4	0	0	0	0	0	109.3
641	S	30.8	Very low	32.8	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	79%	0.787	S	S	*	*			trans	-160.1	109.2	164.9	-81.6	0	0	0	0	110.5
642	Q	30.3	Very low	33.9	Very low	193 Å²	193	133 Å²	133	90%	0.902	79%	0.785	S	S	*	*				97.9	112.5	92.3	-79.2	-169.4	21.6	0	0	113.9
643	R	25.8	Very low	32.6	Very low	237 Å²	237	133.5 Å²	133.5	89%	0.894	79%	0.786	S	S	*	*			trans	-89.9	178.4	166.7	-120.1	-174.6	169.6	-177.2	-2.7	108.1
644	P	39.2	Very low	33.8	Very low	100 Å²	100	133 Å²	133	65%	0.649	78%	0.779	S	S	*	*			cis	-150.2	176.9	26.4	39.3	-15.3	0	0	0	119.7
645	T	27.2	Very low	33.7	Very low	120 Å²	120	133 Å²	133	74%	0.736	78%	0.78	S	S	*	*			trans	57.7	121	141	48.7	0	0	0	0	126.4
646	R	29.6	Very low	32.7	Very low	235 Å²	235	135.5 Å²	135.5	89%	0.887	78%	0.779	S	S	*	*				72.9	101.2	111	-161.8	-178.1	-173.7	-172	2.6	123.2
647	A	27.6	Very low	32.5	Very low	87 Å²	87	135.7 Å²	135.7	72%	0.719	78%	0.78	S	S	*	*			trans	71.1	147.3	130	0	0	0	0	0	125.2
648	S	27.1	Very low	32.6	Very low	119 Å²	119	138.3 Å²	138.3	83%	0.832	78%	0.782	S	S	*	*			trans	73.4	102.4	146.2	-61.4	0	0	0	0	124.6
649	A	27.7	Very low	32.5	Very low	98 Å²	98	135.1 Å²	135.1	81%	0.81	78%	0.781	S	S	*	*				54.7	126.3	124.8	0	0	0	0	0	125.7
650	A	27.6	Very low	32.6	Very low	99 Å²	99	133.5 Å²	133.5	82%	0.818	77%	0.774	S	S	*	*			trans	66.1	169	145.1	0	0	0	0	0	118.6
651	P	46.9	Very low	32.8	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	78%	0.78	S	S	*	*			cis	-115.2	-139.9	-0.3	34.4	-11.4	0	0	0	110.6
652	P	48.3	Very low	32.8	Very low	115 Å²	115	141.3 Å²	141.3	75%	0.747	78%	0.784	S	S	*	*			cis	-135.8	-124.5	-9.2	42.2	-19.4	0	0	0	115.9
653	T	29.6	Very low	33	Very low	128 Å²	128	144.2 Å²	144.2	79%	0.785	79%	0.786	S	S	*	*			trans	-166.6	-172.2	-155.5	25.3	0	0	0	0	109.3
654	P	50.9	Low	33	Very low	112 Å²	112	136.7 Å²	136.7	73%	0.727	78%	0.782	S	S	*	*			cis	-118.7	-141.1	6.5	19	9.9	0	0	0	112.4
655	L	27.4	Very low	32.8	Very low	162 Å²	162	137 Å²	137	85%	0.848	79%	0.794	S	S	*	*			cis	-148.6	-174.7	19.9	-93.8	174.5	0	0	0	112.6
656	K	30	Very low	32.9	Very low	172 Å²	172	136.5 Å²	136.5	75%	0.748	80%	0.801	S	S	*	*			trans	-145.6	167	179.4	-115.4	-164	-177.8	-167.6	0	112.7
657	P	41.9	Very low	32.8	Very low	123 Å²	123	135 Å²	135	80%	0.799	80%	0.801	S	S	*	*				-128.2	-166.2	120.9	38.6	-31.6	0	0	0	113
658	E	29.1	Very low	32.9	Very low	149 Å²	149	136.8 Å²	136.8	70%	0.696	80%	0.804	S	S	*	*			trans	-161.8	164.3	-179.9	-167.9	-127.8	90.1	0	0	109.3	S660	E658-S660 PolarHBondContact OE1-N 2.69Å
659	L	29.1	Very low	34.3	Very low	153 Å²	153	136.7 Å²	136.7	80%	0.801	80%	0.8	S	S	*	*			trans	-161.5	105.3	151.3	-109.5	176.1	0	0	0	115.8
660	S	31	Very low	35.4	Very low	85 Å²	85	136.8 Å²	136.8	59%	0.594	79%	0.792	S	S	*	*			trans	75.5	155.5	141.5	84.7	0	0	0	0	119.7	E658	E658-S660 PolarHBondContact OE1-N 2.69Å
661	R	31.5	Very low	35.7	Very low	226 Å²	226	137.5 Å²	137.5	85%	0.853	79%	0.791	S	S	*	*			cis	-159.1	156.3	4.8	-145.9	173.8	-177.7	-177.2	-0.4	114.4
662	T	30.1	Very low	35.2	Very low	135 Å²	135	138 Å²	138	83%	0.828	78%	0.783	S	S	*	*			trans	84.3	158.9	152.9	17.8	0	0	0	0	123.3
663	R	34.3	Very low	34.2	Very low	253 Å²	253	139.3 Å²	139.3	96%	0.955	79%	0.789	S	S	*	*			trans	-110.3	179.3	-169.2	-66.9	171.8	167.1	167.9	-6.9	111.2
664	G	27.3	Very low	34.4	Very low	79 Å²	79	141.3 Å²	141.3	81%	0.814	79%	0.787	S	S	*	*			cis	-170	-152.4	14.9	0	0	0	0	0	113.9
665	A	33.6	Very low	33.3	Very low	108 Å²	108	140.5 Å²	140.5	89%	0.893	79%	0.79	S	S	*	*			trans	-137.2	159.8	-163.3	0	0	0	0	0	116.4
666	A	29.3	Very low	33.5	Very low	108 Å²	108	139 Å²	139	89%	0.893	79%	0.788	S	S	*	*			trans	-167.1	-178.1	167.3	0	0	0	0	0	114.2
667	K	28.6	Very low	34.2	Very low	203 Å²	203	136 Å²	136	88%	0.883	79%	0.786	S	S	*	*			trans	-116.2	162.9	178	-72.3	-179.3	174.5	-179.7	0	113.3
668	T	30.3	Very low	33.8	Very low	126 Å²	126	140.1 Å²	140.1	77%	0.773	79%	0.791	S	S	*	*			trans	-27.6	168.7	162.3	54.9	0	0	0	0	120
669	P	55.6	Low	33.9	Very low	117 Å²	117	136.9 Å²	136.9	76%	0.76	79%	0.79	S	S	*	*			cis	-128.6	-122.3	-10.3	32.9	-7.7	0	0	0	111.3
670	P	51.4	Low	34	Very low	99 Å²	99	134.9 Å²	134.9	64%	0.643	79%	0.789	S	S	*	*			cis	-136.5	169.7	-39.9	37	-18	0	0	0	118.5
671	S	33.1	Very low	34.1	Very low	114 Å²	114	135.4 Å²	135.4	80%	0.797	80%	0.798	S	S	*	*			trans	69.8	163.5	146.2	76.1	0	0	0	0	121.4
672	E	36.8	Very low	33.9	Very low	132 Å²	132	134.5 Å²	134.5	62%	0.617	80%	0.8	S	S	*	*			cis	-155.7	151.1	-0.5	-155.8	-166.7	-107.6	0	0	112.8	K674	E672-K674 IonicContact OE1-NZ 3.81Å; E672-K674 WeakPolarHBondContact OE2-CE 3.4Å; E672-K674 IonicContact OE2-NZ 2.73Å; E672-K674 PolarHBondContact OE2-NZ 2.78Å
673	T	28.2	Very low	33.9	Very low	142 Å²	142	134.4 Å²	134.4	87%	0.871	80%	0.8	S	S	*	*			trans	-169.8	168.6	132.4	11.9	0	0	0	0	113.6
674	K	33.9	Very low	34.5	Very low	169 Å²	169	128 Å²	128	74%	0.735	79%	0.792	S	S	*	*			trans	-103.5	174.2	-162.5	-68.2	159.6	178.3	122.9	0	112.6	E672	E672-K674 IonicContact OE1-NZ 3.81Å; E672-K674 WeakPolarHBondContact OE2-CE 3.4Å; E672-K674 IonicContact OE2-NZ 2.73Å; E672-K674 PolarHBondContact OE2-NZ 2.78Å
675	A	26.4	Very low	35.9	Very low	96 Å²	96	129.5 Å²	129.5	79%	0.793	79%	0.787	S	S	*	*			cis	-156.5	-178.2	23.5	0	0	0	0	0	114.8
676	T	31.1	Very low	36.6	Very low	130 Å²	130	129.6 Å²	129.6	80%	0.798	78%	0.778	S	S	*	*			trans	-140.4	169.7	171.6	59.8	0	0	0	0	110.4
677	P	46.1	Very low	36.5	Very low	110 Å²	110	129.4 Å²	129.4	71%	0.714	77%	0.77	S	S	*	*				-159.1	145.5	99.9	39	-19.1	0	0	0	119.7
678	K	32.3	Very low	36.4	Very low	208 Å²	208	131 Å²	131	90%	0.904	77%	0.771	S	S	*	*			trans	55.3	153.7	132.4	-65.1	-177.4	176.9	179.5	0	122.8
679	A	32.4	Very low	36.4	Very low	81 Å²	81	130 Å²	130	67%	0.669	77%	0.769	S	S	*	*			cis	-171.8	160.9	-17.8	0	0	0	0	0	114.8
680	S	31.2	Very low	35.2	Very low	111 Å²	111	128.9 Å²	128.9	78%	0.776	76%	0.764	S	S	*	*			trans	64.9	104.9	141	62.5	0	0	0	0	125.6
681	A	32	Very low	34.4	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	78%	0.776	S	S	*	*				80.4	147.9	111.4	0	0	0	0	0	125.4
682	K	28.8	Very low	34.6	Very low	207 Å²	207	134.3 Å²	134.3	90%	0.9	77%	0.768	S	S	*	*			trans	99.5	155	161.6	-65.1	-168.3	176.8	-175.8	0	120.6
683	T	28.6	Very low	34.6	Very low	133 Å²	133	134.7 Å²	134.7	82%	0.816	77%	0.773	S	S	*	*			trans	-126.9	175.8	-176.4	44.5	0	0	0	0	110.2
684	P	47.8	Very low	35.1	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	77%	0.766	S	S	*	*			cis	-121	-107.7	-13.8	21	5.4	0	0	0	115.3
685	P	56.4	Low	35.1	Very low	110 Å²	110	135 Å²	135	71%	0.714	77%	0.772	S	S	*	*			trans	-115.4	-158.9	-142.3	43.4	-23.2	0	0	0	112.8
686	P	47.6	Very low	35.5	Very low	110 Å²	110	134.6 Å²	134.6	71%	0.714	77%	0.769	S	S	*	*			cis	-142.3	-174.1	-1.6	42.7	-21.9	0	0	0	117.6
687	S	27.7	Very low	35.5	Very low	104 Å²	104	134 Å²	134	73%	0.727	77%	0.77	S	S	*	*			trans	76.4	119.4	140.1	73.7	0	0	0	0	124.9
688	R	27.6	Very low	35.8	Very low	237 Å²	237	134 Å²	134	89%	0.894	77%	0.771	S	S	*	*				71.8	96.7	112.5	-159.7	179.2	-166.3	-165.7	5.8	123.2
689	S	29	Very low	35.9	Very low	105 Å²	105	132.2 Å²	132.2	73%	0.734	77%	0.769	S	S	*	*				84.2	153.8	120.8	-159.2	0	0	0	0	123.9
690	S	31.6	Very low	36	Very low	93 Å²	93	137.5 Å²	137.5	65%	0.65	78%	0.777	S	S	*	*			trans	86.2	120.9	153.6	84.5	0	0	0	0	117.4
691	R	35.1	Very low	36.8	Very low	237 Å²	237	137.9 Å²	137.9	89%	0.894	78%	0.777	S	S	*	*				103.2	153.9	85.3	-90.9	-174.7	177.2	-175	-1.3	110
692	S	35.4	Very low	36.9	Very low	89 Å²	89	137.7 Å²	137.7	62%	0.622	78%	0.775	S	S	*	*			cis	-165	172.7	-4.9	36.3	0	0	0	0	108.4
693	L	38.1	Very low	37.1	Very low	140 Å²	140	132.1 Å²	132.1	73%	0.733	77%	0.768	S	S	*	*				173.6	151.1	79.1	-88.3	176.6	0	0	0	113.5
694	T	37.2	Very low	37.3	Very low	117 Å²	117	131 Å²	131	72%	0.718	77%	0.772	S	S	*	*			trans	65	154.4	151.1	53.9	0	0	0	0	120.1
695	K	35.8	Very low	36.4	Very low	200 Å²	200	128.4 Å²	128.4	87%	0.87	77%	0.767	S	S	*	*			cis	-134.3	-146.5	5.8	-139	158.7	-169.1	175.6	0	114.5
696	A	33.3	Very low	35	Very low	89 Å²	89	130.8 Å²	130.8	74%	0.736	77%	0.768	S	S	*	*			trans	-161	179.1	-159.2	0	0	0	0	0	115.9
697	S	32.2	Very low	34.1	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	77%	0.771	S	S	*	*			trans	89.1	154.4	162.4	-66.5	0	0	0	0	119.3
698	P	51.9	Low	34	Very low	111 Å²	111	139.2 Å²	139.2	72%	0.721	78%	0.775	S	S	*	*			cis	-140	173.2	-13.1	35	-14.4	0	0	0	118.6
699	I	33.6	Very low	33.9	Very low	169 Å²	169	138.5 Å²	138.5	87%	0.867	77%	0.773	S	S	*	*			trans	89.5	162.2	150.9	-75.8	157.1	0	0	0	120.8
700	K	34.3	Very low	33.8	Very low	192 Å²	192	139.7 Å²	139.7	84%	0.835	77%	0.77	S	S	*	*			trans	-149.5	-168.9	-148.2	-112.3	-174.6	-177.7	179.2	0	109.3
701	P	48.3	Very low	33.5	Very low	120 Å²	120	141.7 Å²	141.7	78%	0.779	77%	0.771	S	S	*	*			cis	-125.7	-159.6	1.3	44.7	-27.5	0	0	0	111.7
702	A	34.7	Very low	33	Very low	92 Å²	92	138 Å²	138	76%	0.76	76%	0.764	S	S	*	*			cis	-160	170.7	-3.4	0	0	0	0	0	107.5
703	A	33.8	Very low	32.5	Very low	89 Å²	89	141 Å²	141	74%	0.736	77%	0.768	S	S	*	*			cis	-158.8	128.3	-10.8	0	0	0	0	0	106.2
704	A	32.8	Very low	32	Very low	109 Å²	109	140.9 Å²	140.9	90%	0.901	76%	0.764	S	S	*	*				65.8	136.5	86.4	0	0	0	0	0	115.6
705	G	28.4	Very low	31.4	Very low	66 Å²	66	143.8 Å²	143.8	68%	0.68	77%	0.77	S	S	*	*			cis	161.6	-164	-2	0	0	0	0	0	112.7
706	Q	27.6	Very low	31.1	Very low	160 Å²	160	138.2 Å²	138.2	75%	0.748	76%	0.756	S	S	*	*			trans	84.5	150.4	177	-51.9	-166.6	55.6	0	0	116.1
707	R	28.2	Very low	30.8	Very low	202 Å²	202	141.9 Å²	141.9	76%	0.762	76%	0.758	S	S	*	*			cis	-161.7	151.9	-12.2	-119.8	179.8	-172.2	170.6	3.7	113.6
708	K	26.1	Very low	30.6	Very low	189 Å²	189	143.2 Å²	143.2	82%	0.822	76%	0.755	S	S	*	*			trans	44.3	145.1	138.8	-87.2	-168.1	172	-166.5	0	125
709	R	24.7	Very low	29.5	Very low	223 Å²	223	146 Å²	146	84%	0.842	76%	0.759	S	S	*	*			trans	-75.8	164.8	153.3	-178	-151.5	-86.9	-175.9	-10.1	110.9
710	I	26.4	Very low	29.3	Very low	130 Å²	130	146.1 Å²	146.1	67%	0.667	76%	0.756	S	S	*	*			trans	123.6	110.6	147.4	-68.5	176.4	0	0	0	117.7
711	I	25.5	Very low	29	Very low	135 Å²	135	144.3 Å²	144.3	69%	0.692	76%	0.755	S	S	*	*			trans	77.3	147.5	136.2	-72.2	178.8	0	0	0	124.1
712	E	25	Very low	28	Very low	159 Å²	159	146.8 Å²	146.8	74%	0.743	76%	0.762	S	S	*	*			trans	94.1	122.4	153.6	-92.3	143.4	-144.7	0	0	123.4
713	Q	24.5	Very low	27.7	Very low	151 Å²	151	149.9 Å²	149.9	71%	0.706	77%	0.766	S	S	*	*			trans	62	149.8	143.8	-73.4	163.4	-60	0	0	120
714	E	27.9	Very low	27.4	Very low	139 Å²	139	153.8 Å²	153.8	65%	0.65	77%	0.774	S	S	*	*			cis	-155.2	160.4	6.1	-139.6	141.4	-137.4	0	0	110.8
715	E	25.5	Very low	27.2	Very low	178 Å²	178	155.6 Å²	155.6	83%	0.832	77%	0.769	S	S	*	*			trans	38.8	148.6	151.1	-74.8	169.2	-171.9	0	0	122.7
716	S	27.7	Very low	27.1	Very low	82 Å²	82	159.8 Å²	159.8	57%	0.573	78%	0.776	S	S	*	*			cis	-158.9	169.1	-3.8	55.8	0	0	0	0	111
717	E	28.5	Very low	27.1	Very low	166 Å²	166	160 Å²	160	78%	0.776	78%	0.776	S	S	*	*			trans	65.5	153.4	160.2	-66.7	147.9	-121.3	0	0	119.5
718	D	26.2	Very low	27.2	Very low	145 Å²	145	158.7 Å²	158.7	78%	0.775	78%	0.779	S	S	*	*				-168.2	164.1	-53.6	-105.5	-39.6	0	0	0	109.2
719	E	30.7	Very low	27.2	Very low	170 Å²	170	158.6 Å²	158.6	79%	0.794	78%	0.782	S	S	*	*			trans	64.2	114.5	173	-67.2	175.4	-168.1	0	0	116.2
720	E	28.1	Very low	27.3	Very low	172 Å²	172	156.7 Å²	156.7	80%	0.804	78%	0.782	S	S	*	*				71.6	106	80.7	-69.7	-179.2	-168.6	0	0	111.7
721	D	27.7	Very low	27.3	Very low	154 Å²	154	159.7 Å²	159.7	82%	0.824	79%	0.794	S	S	*	*				70.4	113.3	76.2	-82.5	-8.9	0	0	0	113.2
722	D	26.9	Very low	27.3	Very low	171 Å²	171	160.6 Å²	160.6	91%	0.914	80%	0.8	S	S	*	*			trans	-168.5	139.1	139.2	-106.7	-21.5	0	0	0	110.3
723	D	29.8	Very low	27.3	Very low	157 Å²	157	158.8 Å²	158.8	84%	0.84	81%	0.805	S	S	*	*			trans	-89.8	150.6	165.6	-74.3	-58.8	0	0	0	109.4
724	D	26.4	Very low	27.2	Very low	171 Å²	171	160 Å²	160	91%	0.914	81%	0.81	S	S	*	*			trans	-168.8	152.4	138.6	-112.1	-20.9	0	0	0	112.2
725	D	28.7	Very low	27.1	Very low	147 Å²	147	161.6 Å²	161.6	79%	0.786	82%	0.818	S	S	*	*			trans	-84.4	156.8	175.9	-73.8	-62.7	0	0	0	112.2
726	D	27.1	Very low	27	Very low	154 Å²	154	161.4 Å²	161.4	82%	0.824	82%	0.817	S	S	*	*				178.8	166.5	116.7	-102.9	-19.1	0	0	0	116.2
727	E	27.7	Very low	27.1	Very low	164 Å²	164	165.9 Å²	165.9	77%	0.766	83%	0.831	S	S	*	*			trans	-59.5	162.3	-163.9	-57.5	178.5	141.5	0	0	121.3
728	E	30	Very low	26.8	Very low	175 Å²	175	167.5 Å²	167.5	82%	0.818	84%	0.839	S	S	*	*			trans	36.5	141.9	144.7	-59.3	-172	175.2	0	0	121.7
729	E	25.3	Very low	26.8	Very low	187 Å²	187	169.1 Å²	169.1	87%	0.874	84%	0.841	S	S	*	*				-157.9	-177.6	61.3	-96.4	-172.5	152.6	0	0	113.6
730	E	28.3	Very low	26.6	Very low	184 Å²	184	169 Å²	169	86%	0.86	84%	0.841	S	S	*	*			trans	-86.8	156.3	172.3	-60.2	-171.6	-173.1	0	0	113.5
731	E	25.6	Very low	27.3	Very low	193 Å²	193	165.5 Å²	165.5	90%	0.902	83%	0.833	S	S	*	*				174.9	177.5	117.2	-97	-162.6	168.5	0	0	113.1
732	D	25.3	Very low	27.4	Very low	153 Å²	153	165.2 Å²	165.2	82%	0.818	83%	0.827	S	S	*	*			trans	-66.9	164.6	-170.9	-88.5	-51.6	0	0	0	116.4
733	S	24.4	Very low	27.5	Very low	121 Å²	121	161 Å²	161	85%	0.846	81%	0.811	S	S	*	*			trans	-151.3	96.9	156.7	-68	0	0	0	0	111
734	E	24.1	Very low	27.7	Very low	176 Å²	176	161.3 Å²	161.3	82%	0.822	80%	0.804	S	S	*	*			trans	-82.6	-176.7	155.9	-67.2	-159.4	128.8	0	0	110.2
735	E	25.8	Very low	28.1	Very low	174 Å²	174	162.1 Å²	162.1	81%	0.813	80%	0.8	S	S	*	*			trans	72.9	142.4	170.5	-55.6	-175.1	173.6	0	0	116.2
736	E	22.8	Very low	28.2	Very low	174 Å²	174	159.8 Å²	159.8	81%	0.813	80%	0.795	S	S	*	*			cis	-151.6	-179.6	-10.2	-128.2	-173.5	170	0	0	112.3
737	M	29.8	Very low	28.4	Very low	175 Å²	175	161.6 Å²	161.6	86%	0.862	80%	0.796	S	S	*	*			trans	-104.2	142.7	166.6	-70.9	-179.5	-70.8	0	0	110.4
738	E	22.8	Very low	28.5	Very low	201 Å²	201	161.3 Å²	161.3	94%	0.939	80%	0.796	S	S	*	*			trans	-106.9	155.8	162	-86.6	-155.3	142.8	0	0	113.9
739	E	26.3	Very low	28.7	Very low	179 Å²	179	156.7 Å²	156.7	84%	0.836	79%	0.788	S	S	*	*			trans	-73.9	143	-153.2	-67.9	-166.8	127.3	0	0	120.3
740	E	25.1	Very low	29	Very low	167 Å²	167	154.3 Å²	154.3	78%	0.78	79%	0.787	S	S	*	*				51.4	-163	121.2	-118.9	-145.6	-146.8	0	0	118.5	Q742	E740-Q742 PolarHBondContact OE2-N 2.91Å
741	P	43.3	Very low	29.3	Very low	99 Å²	99	149.7 Å²	149.7	64%	0.643	78%	0.78	S	S	*	*			cis	-134.7	172.3	4.2	37.7	-15.7	0	0	0	121.6
742	Q	29.4	Very low	29.6	Very low	148 Å²	148	145 Å²	145	69%	0.692	77%	0.774	S	S	*	*			trans	82.7	152.7	159.1	-32.1	-168.3	9.8	0	0	119.6	E740	E740-Q742 PolarHBondContact OE2-N 2.91Å
743	S	30.3	Very low	29.8	Very low	83 Å²	83	143.1 Å²	143.1	58%	0.58	77%	0.773	S	S	*	*			cis	-165.9	152.3	19.9	85.2	0	0	0	0	117.1
744	K	33.6	Very low	30.1	Very low	162 Å²	162	143.1 Å²	143.1	70%	0.704	76%	0.763	S	S	*	*			trans	65.1	144.2	142.2	-68.8	155	-165.6	135.2	0	117.8
745	K	33.8	Very low	30.4	Very low	188 Å²	188	146 Å²	146	82%	0.817	77%	0.767	S	S	*	*			cis	-169.2	173.3	15.3	-107.4	162	179	178.7	0	106.9
746	S	32.3	Very low	30.4	Very low	98 Å²	98	141 Å²	141	69%	0.685	76%	0.762	S	S	*	*			cis	176.3	165.5	-25.5	58.9	0	0	0	0	110.2
747	K	31.1	Very low	30.6	Very low	193 Å²	193	142.5 Å²	142.5	84%	0.839	77%	0.766	S	S	*	*			trans	75.9	140.5	174.7	-79.5	-171.8	178	-174.5	0	117
748	M	28.6	Very low	30.5	Very low	157 Å²	157	139.8 Å²	139.8	77%	0.773	76%	0.759	S	S	*	*			cis	-160.3	141.9	-4.1	-149	173.9	77.5	0	0	113
749	A	34.4	Very low	30.6	Very low	79 Å²	79	135.5 Å²	135.5	65%	0.653	75%	0.746	S	S	*	*			trans	56.3	145.3	152.6	0	0	0	0	0	120.6
750	T	32.6	Very low	30.5	Very low	137 Å²	137	133.8 Å²	133.8	84%	0.84	74%	0.738	S	S	*	*			cis	-170.2	160.8	-3.3	17.3	0	0	0	0	107.8
751	A	33.7	Very low	30.5	Very low	87 Å²	87	133.7 Å²	133.7	72%	0.719	74%	0.735	S	S	*	*			cis	-165.2	165.2	-3.4	0	0	0	0	0	111.9
752	A	32.2	Very low	29.5	Very low	95 Å²	95	133.2 Å²	133.2	79%	0.785	74%	0.74	S	S	*	*			trans	66.2	148.6	160.6	0	0	0	0	0	118.8
753	S	29.9	Very low	30	Very low	112 Å²	112	131.8 Å²	131.8	78%	0.783	74%	0.743	S	S	*	*			cis	-176.1	168.5	-8.3	-97.1	0	0	0	0	109.6
754	N	30.4	Very low	30.5	Very low	121 Å²	121	133.1 Å²	133.1	65%	0.647	75%	0.75	S	S	*	*			cis	179.7	125.7	-24.5	178	25.1	0	0	0	111.2
755	R	30.8	Very low	31	Very low	237 Å²	237	130.2 Å²	130.2	89%	0.894	75%	0.748	S	S	*	*			trans	69.8	152.8	175	-62.9	153.8	175.2	-166.8	-4.1	117.8
756	G	25.3	Very low	30.7	Very low	70 Å²	70	130.8 Å²	130.8	72%	0.722	75%	0.75	S	S	*	*			cis	158.9	173	-9	0	0	0	0	0	114.5
757	K	27.8	Very low	30.6	Very low	204 Å²	204	138.3 Å²	138.3	89%	0.887	76%	0.764	S	S	*	*			trans	75.6	157.3	172.9	-83.1	-160.9	171.4	-170.3	0	118.5
758	V	25.9	Very low	30.4	Very low	119 Å²	119	132.7 Å²	132.7	72%	0.721	76%	0.761	S	S	*	*			cis	166.2	150.7	-22.6	119.7	0	0	0	0	108.2
759	V	25.9	Very low	30.3	Very low	111 Å²	111	134.4 Å²	134.4	67%	0.673	76%	0.764	S	S	*	*			cis	-175.3	173	-12.2	73	0	0	0	0	111.5
760	E	24.7	Very low	30	Very low	142 Å²	142	137.1 Å²	137.1	66%	0.664	77%	0.772	S	S	*	*			trans	71.2	164	160.4	-77.7	-173.2	125.3	0	0	120.9
761	K	24	Very low	29.7	Very low	165 Å²	165	136.5 Å²	136.5	72%	0.717	76%	0.764	S	S	*	*			cis	-179.3	123	-29.2	171.3	-170.8	-84.7	167	0	113.9
762	A	23.3	Very low	29.4	Very low	90 Å²	90	141.4 Å²	141.4	74%	0.744	77%	0.772	S	S	*	*			trans	63.3	-167.2	145.7	0	0	0	0	0	121.7
763	P	40	Very low	29.1	Very low	117 Å²	117	142.1 Å²	142.1	76%	0.76	76%	0.762	S	S	*	*				-136.2	-140.8	-121.8	41.8	-16.8	0	0	0	114.3
764	P	41.3	Very low	28.9	Very low	112 Å²	112	144.2 Å²	144.2	73%	0.727	76%	0.757	S	S	*	*			cis	-115.5	-114	-41.8	28.4	-4.6	0	0	0	111.3
765	P	42.3	Very low	28.6	Very low	100 Å²	100	144.5 Å²	144.5	65%	0.649	76%	0.764	S	S	*	*			cis	-137.8	141.7	-45.7	32.4	-10.5	0	0	0	119.7
766	K	29.4	Very low	28.3	Very low	201 Å²	201	141.5 Å²	141.5	87%	0.874	76%	0.759	S	S	*	*			trans	70.3	156.9	137	-65.6	-173.5	173.2	-171.9	0	125.7
767	R	28.8	Very low	28.2	Very low	255 Å²	255	142.8 Å²	142.8	96%	0.962	76%	0.758	S	S	*	*			trans	87.5	145.8	161.5	-68.1	176.7	169.2	167.3	-4.6	118.4
768	G	26.5	Very low	28	Very low	76 Å²	76	142 Å²	142	78%	0.784	76%	0.756	S	S	*	*			cis	-177.9	176.4	-1.6	0	0	0	0	0	115.1
769	K	26.5	Very low	27.9	Very low	193 Å²	193	140.2 Å²	140.2	84%	0.839	75%	0.754	S	S	*	*			trans	-65.6	166.4	-176	-70.6	-166.8	170.7	-159.9	0	115.9
770	V	28.1	Very low	27.8	Very low	136 Å²	136	141.9 Å²	141.9	82%	0.824	76%	0.755	S	S	*	*				-179.6	157.4	112.2	153	0	0	0	0	112.2
771	D	27.7	Very low	27.8	Very low	124 Å²	124	142 Å²	142	66%	0.663	75%	0.753	S	S	*	*			trans	-72.7	-164.4	-167.1	-42.4	-96.6	0	0	0	114.5
772	E	27.5	Very low	27.8	Very low	190 Å²	190	143.5 Å²	143.5	89%	0.888	76%	0.76	S	S	*	*			cis	-162.8	-154.3	27.5	-144.2	-172.1	151	0	0	113.6
773	D	25.5	Very low	27.8	Very low	110 Å²	110	142.2 Å²	142.2	59%	0.588	76%	0.755	S	S	*	*			trans	-98.6	175.9	-132.9	-150	18.2	0	0	0	121.9
774	K	24.8	Very low	27	Very low	156 Å²	156	145.4 Å²	145.4	68%	0.678	77%	0.765	S	S	*	*			trans	-27.5	151.5	167.6	-59.4	153.6	-160.1	81.2	0	118.9
775	T	24.2	Very low	26.2	Very low	127 Å²	127	145.4 Å²	145.4	78%	0.779	77%	0.767	S	S	*	*				169.9	141.5	101.1	37.4	0	0	0	0	117.7
776	H	24.6	Very low	25.4	Very low	173 Å²	173	146.7 Å²	146.7	80%	0.801	77%	0.774	S	S	*	*			trans	23.1	117.2	144.2	-76.7	-80.3	0	0	0	124.9
777	S	22.9	Very low	25.7	Very low	98 Å²	98	142.8 Å²	142.8	69%	0.685	77%	0.769	S	S	*	*				108.9	143.9	106.4	77.3	0	0	0	0	124.1
778	H	23.5	Very low	25.5	Very low	186 Å²	186	135.2 Å²	135.2	86%	0.861	76%	0.761	S	S	*	*			trans	71.8	136.2	143.9	-88.9	-65.6	0	0	0	125.1
779	A	23.5	Very low	25.5	Very low	82 Å²	82	142.2 Å²	142.2	68%	0.678	76%	0.764	S	S	*	*			trans	95.8	92.7	138.1	0	0	0	0	0	122.2
780	E	23.8	Very low	25.4	Very low	147 Å²	147	140.7 Å²	140.7	69%	0.687	76%	0.76	S	S	*	*				62.1	134.4	117.2	-67.3	-152.4	122.6	0	0	124.6
781	K	24.9	Very low	25.1	Very low	145 Å²	145	142.8 Å²	142.8	63%	0.63	76%	0.76	S	S	*	*			trans	68.7	158.7	144.9	-68.5	162.4	-173.1	153.4	0	115.5
782	K	23.8	Very low	26	Very low	196 Å²	196	142.5 Å²	142.5	85%	0.852	77%	0.765	S	S	*	*			cis	-159.1	161.1	-9.9	-108.1	163.1	-177.9	-179.8	0	104.9
783	G	23.8	Very low	26.3	Very low	63 Å²	63	139 Å²	139	65%	0.649	76%	0.759	S	S	*	*			cis	149.7	157.9	1.4	0	0	0	0	0	110.8
784	L	24.3	Very low	26.5	Very low	183 Å²	183	140 Å²	140	96%	0.958	77%	0.769	S	S	*	*			trans	70	158.8	175.8	-89	62.3	0	0	0	116.5
785	S	24	Very low	27	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	78%	0.776	S	S	*	*			cis	-141.6	168.6	12.5	57.1	0	0	0	0	115.3
786	T	25.1	Very low	27.1	Very low	127 Å²	127	137.1 Å²	137.1	78%	0.779	78%	0.776	S	S	*	*			trans	-109.7	165.7	-177	55.2	0	0	0	0	113.7
787	P	35.3	Very low	27.3	Very low	120 Å²	120	133.8 Å²	133.8	78%	0.779	77%	0.773	S	S	*	*				-137.4	152.8	95.9	18.7	3.2	0	0	0	113.3
788	A	26	Very low	27.6	Very low	96 Å²	96	135.1 Å²	135.1	79%	0.793	78%	0.777	S	S	*	*			cis	77.4	139.9	48.8	0	0	0	0	0	113.4
789	R	25.6	Very low	27.7	Very low	223 Å²	223	131 Å²	131	84%	0.842	77%	0.769	S	S	*	*			cis	-168.7	166.5	15.9	-175.3	-173.7	157.8	-151.5	-5.5	111.5
790	Q	23.6	Very low	27.8	Very low	161 Å²	161	137 Å²	137	75%	0.752	78%	0.779	S	S	*	*			trans	119.1	162.4	150.4	-58.4	-165.8	37.4	0	0	120.2
791	Q	22.1	Very low	28	Very low	180 Å²	180	133.9 Å²	133.9	84%	0.841	78%	0.779	S	S	*	*			trans	-139.1	-175.5	-174.1	-55.5	171.9	-48	0	0	109
792	P	46.4	Very low	28.1	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	79%	0.785	S	S	*	*			cis	-118	-122.1	-18.2	25.2	1.7	0	0	0	109
793	P	34.3	Very low	28.5	Very low	115 Å²	115	129.8 Å²	129.8	75%	0.747	79%	0.785	S	S	*	*			cis	-136.6	-158.1	-20.4	44.2	-23.2	0	0	0	116.2
794	T	29.3	Very low	28.6	Very low	132 Å²	132	132.6 Å²	132.6	81%	0.81	79%	0.789	S	S	*	*			trans	-109.4	177.2	176.3	48.5	0	0	0	0	111.5
795	P	36.8	Very low	28.6	Very low	128 Å²	128	132.5 Å²	132.5	83%	0.831	78%	0.784	S	S	*	*			cis	-148.8	-151.9	31.7	45.3	-20.9	0	0	0	117.6
796	A	25.8	Very low	28.6	Very low	94 Å²	94	134.8 Å²	134.8	78%	0.777	78%	0.782	S	S	*	*			trans	-134.4	-174.4	-170.3	0	0	0	0	0	112.3
797	S	28.6	Very low	28.6	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	78%	0.784	S	S	*	*			cis	-165	-145.9	8.1	55.1	0	0	0	0	110.4
798	V	28.6	Very low	28.1	Very low	126 Å²	126	135 Å²	135	76%	0.764	78%	0.784	S	S	*	*			trans	82.6	151.9	161.5	-177.2	0	0	0	0	118.3
799	S	26	Very low	28	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	79%	0.787	S	S	*	*			cis	-178.8	177.9	-37.5	-74.5	0	0	0	0	110.6
800	K	26	Very low	27.9	Very low	207 Å²	207	134.5 Å²	134.5	90%	0.9	79%	0.789	S	S	*	*			trans	100.8	159.8	156.7	-64.5	-175.3	176.8	-179.7	0	119.7
801	A	27.1	Very low	27.9	Very low	81 Å²	81	134.3 Å²	134.3	67%	0.669	79%	0.789	S	S	*	*			cis	174.6	124.9	-45.7	0	0	0	0	0	114
802	V	28.5	Very low	27.9	Very low	125 Å²	125	134.6 Å²	134.6	76%	0.758	79%	0.787	S	S	*	*			trans	50.3	164.7	157.7	-127.1	0	0	0	0	120.4
803	P	32	Very low	26.8	Very low	131 Å²	131	135.4 Å²	135.4	85%	0.851	79%	0.789	S	S	*	*				-142.2	-179.4	90.7	39.2	-22.3	0	0	0	115.9
804	T	25.2	Very low	27.8	Very low	122 Å²	122	135.4 Å²	135.4	75%	0.748	79%	0.789	S	S	*	*			trans	-139.6	151.5	-163.4	-37.5	0	0	0	0	113.2
805	Q	24.1	Very low	27.4	Very low	180 Å²	180	136.4 Å²	136.4	84%	0.841	79%	0.785	S	S	*	*			trans	-144.1	139.9	156.5	-85.8	169.4	3.5	0	0	108.1
806	Q	25	Very low	26.8	Very low	160 Å²	160	138 Å²	138	75%	0.748	78%	0.779	S	S	*	*			cis	74.4	134.4	46	-70.2	-161.8	25.2	0	0	113.2
807	Q	25.4	Very low	27	Very low	176 Å²	176	139.8 Å²	139.8	82%	0.822	78%	0.78	S	S	*	*			cis	-145.4	164.4	3.5	-97.7	159.1	38.4	0	0	109.3
808	G	22.9	Very low	26.9	Very low	76 Å²	76	144.2 Å²	144.2	78%	0.784	79%	0.789	S	S	*	*				137.4	166.2	91.9	0	0	0	0	0	112.2
809	A	24.3	Very low	27.2	Very low	102 Å²	102	147.2 Å²	147.2	84%	0.843	80%	0.795	S	S	*	*			trans	-145.3	160.8	-168.5	0	0	0	0	0	115.6
810	K	24	Very low	27.1	Very low	206 Å²	206	152.7 Å²	152.7	90%	0.896	81%	0.806	S	S	*	*			trans	-170.6	178.6	154.6	-112	166.1	-174.2	179.6	0	115.2
811	E	23.8	Very low	27.2	Very low	158 Å²	158	151.5 Å²	151.5	74%	0.738	80%	0.804	S	S	*	*			trans	-106.2	178.8	-155.7	-47.9	159.2	83.5	0	0	117.2
812	K	21.5	Very low	27.6	Very low	186 Å²	186	152.2 Å²	152.2	81%	0.809	80%	0.802	S	S	*	*			trans	114.4	163	145.5	-80.1	-178.6	-178.9	-178.5	0	120
813	V	24.1	Very low	27.8	Very low	134 Å²	134	155 Å²	155	81%	0.812	81%	0.806	S	S	*	*			trans	-129.7	-172.8	-151.6	-146.5	0	0	0	0	110.5
814	P	53.9	Low	28.2	Very low	115 Å²	115	154.7 Å²	154.7	75%	0.747	80%	0.798	S	S	*	*				-108.1	170.7	-106.8	41	-27.7	0	0	0	116
815	E	21.8	Very low	29.2	Very low	153 Å²	153	152.7 Å²	152.7	72%	0.715	78%	0.782	S	S	*	*			trans	-164.4	157.3	137	-115.5	-155	161.4	0	0	117.2
816	K	24.7	Very low	30.4	Very low	162 Å²	162	147.2 Å²	147.2	70%	0.704	76%	0.761	S	S	*	*			trans	46.5	113.5	152.8	-71	-177.1	179	98.9	0	123.5
817	T	30.7	Very low	31.6	Very low	131 Å²	131	148.4 Å²	148.4	80%	0.804	76%	0.764	S	S	*	*			trans	-8.2	133.3	139.9	-35.6	0	0	0	0	119.9
818	Q	26.3	Very low	33	Very low	197 Å²	197	143.4 Å²	143.4	92%	0.921	74%	0.743	S	S	*	*			trans	-152.8	148	142.6	-115.6	173.1	49.6	0	0	111
819	Q	33.5	Very low	34.7	Very low	190 Å²	190	139.9 Å²	139.9	89%	0.888	71%	0.706	S	S	*	*			trans	-83.4	146.5	-179.8	-67.6	167.4	-46	0	0	111.7
820	K	24.7	Very low	36.7	Very low	215 Å²	215	141 Å²	141	94%	0.935	69%	0.694	S	S	*	*			trans	-146.9	139.4	157.9	-104.6	-176.7	179.2	179.8	0	111
821	E	28.5	Very low	38.8	Very low	182 Å²	182	138.6 Å²	138.6	85%	0.85	68%	0.684	S	S	*	*			trans	-99.1	-172.9	-175.9	-133	-163.3	-143.6	0	0	111.1
822	P	35.7	Very low	41.1	Very low	96 Å²	96	131.9 Å²	131.9	62%	0.623	65%	0.653	S	S	*	*				-119.3	85.8	-115.4	38	-21.1	0	0	0	114.5
823	E	32.9	Very low	43.7	Very low	182 Å²	182	127.9 Å²	127.9	85%	0.85	64%	0.635	S	S	*	*	S	Bend	trans	-88.7	-5	173	-78.4	-158.6	114.9	0	0	115.2
824	N	40	Very low	46	Very low	126 Å²	126	123.2 Å²	123.2	67%	0.674	62%	0.615	S	S	*	*	S	Bend	trans	-98.7	-16.7	-165.1	-136.4	-0.9	0	0	0	115.6
825	D	45.1	Very low	47.4	Very low	80 Å²	80	120.8 Å²	120.8	43%	0.428	60%	0.595	S	S	.	*	S	Bend	trans	-73.5	-40.6	-174.9	-114.2	-71.3	0	0	0	113.2	K827 N828 A829 K881	D825-K827 PolarHBondContact O-N 3.33Å; D825-N828 PolarHBondContact O-N 3.08Å; D825-A829 PolarHBondContact O-N 3.38Å; D825-A829 VanDerWaalsContact O-N 3.07Å; D825-K881 IonicContact OD1-NZ 2.58Å; D825-K881 PolarHBondContact OD1-NZ 2.94Å
826	T	49.5	Very low	50.2	Low	65 Å²	65	117.7 Å²	117.7	40%	0.399	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.7	-24.5	-173.2	52.6	0	0	0	0	113.7
827	K	50.8	Low	53.1	Low	184 Å²	184	110 Å²	110	80%	0.8	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.9	174.9	-72.5	179.6	-179.8	169.7	0	114.2	D825	D825-K827 PolarHBondContact O-N 3.33Å
828	N	55.2	Low	55.7	Low	71 Å²	71	105.4 Å²	105.4	38%	0.38	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-13.3	178.8	-88.3	-55.8	0	0	0	114.2	D825 Q830 K831	D825-N828 PolarHBondContact O-N 3.08Å; N828-Q830 PolarHBondContact O-N 2.96Å; N828-K831 WeakPolarHBondContact O-CB 3.48Å; N828-K831 PolarHBondContact O-N 3.02Å; N828-K831 WeakPolarHBondContact OD1-CE 2.86Å; N828-K831 PolarHBondContact OD1-NZ 2.91Å
829	A	58.4	Low	58.5	Low	2 Å²	2	96 Å²	96	2%	0.017	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-47.3	-30.6	-171.8	0	0	0	0	0	115.7	D825 K831 D832 V853 A855 V860	D825-A829 PolarHBondContact O-N 3.38Å; D825-A829 VanDerWaalsContact O-N 3.07Å; A829-K831 PolarHBondContact O-N 2.84Å; A829-K831 VanDerWaalsContact O-N 3.14Å; A829-D832 WeakPolarHBondContact O-CB 3.44Å; A829-D832 PolarHBondContact O-N 2.73Å; A829-V853 HydrophobicContact CB-CG1 3.96Å; A829-V853 WeakPolarHBondContact O-CG1 3.5Å; A829-A855 HydrophobicContact CB-CB 4.01Å; A829-V860 HydrophobicContact CB-CG1 4.09Å; A829-V860 HydrophobicContact CB-CG2 4.19Å
830	Q	65.9	Low	60.7	Low	125 Å²	125	92.1 Å²	92.1	58%	0.584	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-62.5	-20.5	177.5	-138.1	69.7	-24.2	0	0	114.2	N828 D832	N828-Q830 PolarHBondContact O-N 2.96Å; Q830-D832 VanDerWaalsContact C-N 3.3Å
831	K	67.4	Low	63.3	Low	156 Å²	156	82.4 Å²	82.4	68%	0.678	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-75.3	-14.4	172.9	-65.3	174.8	177.9	167.2	0	113.6	N828 A829 K833	N828-K831 WeakPolarHBondContact O-CB 3.48Å; N828-K831 PolarHBondContact O-N 3.02Å; N828-K831 WeakPolarHBondContact OD1-CE 2.86Å; N828-K831 PolarHBondContact OD1-NZ 2.91Å; A829-K831 PolarHBondContact O-N 2.84Å; A829-K831 VanDerWaalsContact O-N 3.14Å; K831-K833 PolarHBondContact O-N 2.68Å
832	D	72.9	Confident	65.3	Low	18 Å²	18	80 Å²	80	10%	0.096	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-71.6	-14.1	176.8	-58.2	-24.9	0	0	0	111.8	A829 Q830 G834 L835 V850 V853 W862 K881	A829-D832 WeakPolarHBondContact O-CB 3.44Å; A829-D832 PolarHBondContact O-N 2.73Å; Q830-D832 VanDerWaalsContact C-N 3.3Å; D832-G834 PolarHBondContact O-N 2.97Å; D832-L835 HydrophobicContact CB-CD1 3.91Å; D832-L835 WeakPolarHBondContact O-CB 3.31Å; D832-L835 WeakPolarHBondContact O-CG 3.47Å; D832-L835 PolarHBondContact O-N 3.04Å; D832-V850 WeakPolarHBondContact O-CB 3.22Å; D832-V850 WeakPolarHBondContact O-CG1 3.45Å; D832-V853 HydrophobicContact CB-CG2 3.91Å; D832-W862 HydrophobicContact CB-CZ2 3.9Å; D832-W862 VanDerWaalsContact CB-NE1 3.28Å; D832-W862 PolarHBondContact OD2-NE1 3.35Å; D832-K881 VanDerWaalsContact CG-NZ 3.34Å; D832-K881 IonicContact OD1-NZ 3.55Å; D832-K881 PolarHBondContact OD1-NZ 3.24Å; D832-K881 VanDerWaalsContact OD1-NZ 3.08Å; D832-K881 WeakPolarHBondContact OD2-CD 3.33Å; D832-K881 WeakPolarHBondContact OD2-CE 3.38Å; D832-K881 IonicContact OD2-NZ 2.74Å; D832-K881 PolarHBondContact OD2-NZ 3.41Å
833	K	75.8	Confident	67	Low	101 Å²	101	83.7 Å²	83.7	44%	0.439	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	124	174.9	-69.6	-171.4	-176.1	-171.4	0	110.8	K831 V853	K831-K833 PolarHBondContact O-N 2.68Å; K833-V853 HydrophobicContact CG-CB 4.42Å; K833-V853 HydrophobicContact CG-CG2 3.66Å
834	G	73.3	Confident	68.7	Low	37 Å²	37	81 Å²	81	38%	0.381	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-6.9	-179.2	0	0	0	0	0	114.6	D832 K849 V850	D832-G834 PolarHBondContact O-N 2.97Å; G834-K849 WeakPolarHBondContact O-CE 3.27Å; G834-V850 PolarHBondContact N-O 3.13Å
835	L	82.2	Confident	70.7	Confident	64 Å²	64	79 Å²	79	34%	0.335	38%	0.381	S	S	.	.			trans	-63.5	143.3	172.6	-66.2	172.9	0	0	0	111.2	D832 K849 V850 W862 L888	D832-L835 HydrophobicContact CB-CD1 3.91Å; D832-L835 WeakPolarHBondContact O-CB 3.31Å; D832-L835 WeakPolarHBondContact O-CG 3.47Å; D832-L835 PolarHBondContact O-N 3.04Å; L835-K849 WeakPolarHBondContact O-CA 3.43Å; L835-V850 HydrophobicContact CB-CG2 4.3Å; L835-V850 PolarHBondContact O-N 3.12Å; L835-W862 HydrophobicContact CD1-CH2 4.49Å; L835-W862 HydrophobicContact CD1-CZ2 4.3Å; L835-L888 HydrophobicContact CB-CD2 3.99Å; L835-L888 HydrophobicContact CD1-CD2 3.85Å; L835-L888 HydrophobicContact CG-CD2 4.35Å
836	L	80.1	Confident	72.2	Confident	88 Å²	88	76.7 Å²	76.7	46%	0.461	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.4	169.9	-68.7	172.7	0	0	0	109.5	K849 M889	L836-K849 HydrophobicContact CD2-CB 4.14Å; L836-K849 HydrophobicContact CD2-CD 4.35Å; L836-K849 HydrophobicContact CD2-CG 4.15Å; L836-M889 HydrophobicContact CB-CB 3.97Å; L836-M889 HydrophobicContact CB-CG 4.18Å; L836-M889 PolarHBondContact O-N 2.83Å
837	V	85.4	Confident	73.9	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.9	-174.6	-70	0	0	0	0	109.8	V839 T847 G848 V850 W862 V864 V886 R887 L888	V837-V839 HydrophobicContact CG2-CG2 4.37Å; V837-T847 WeakPolarHBondContact O-CA 3.43Å; V837-G848 WeakPolarHBondContact CG2-O 3.37Å; V837-G848 PolarHBondContact N-O 2.9Å; V837-G848 PolarHBondContact O-N 3.02Å; V837-G848 VanDerWaalsContact O-O 3.09Å; V837-V850 HydrophobicContact CG1-CG2 4.07Å; V837-V850 HydrophobicContact CG2-CG2 4.03Å; V837-W862 HydrophobicContact CG1-CE3 4.01Å; V837-W862 HydrophobicContact CG1-CH2 4.43Å; V837-W862 HydrophobicContact CG1-CZ3 3.59Å; V837-V864 HydrophobicContact CG2-CB 4.3Å; V837-V864 HydrophobicContact CG2-CG1 3.66Å; V837-V864 HydrophobicContact CG2-CG2 3.6Å; V837-V886 HydrophobicContact CB-CG1 4.46Å; V837-R887 CarbonylContact C-O 3.4Å; V837-R887 VanDerWaalsContact CA-O 3.28Å; V837-R887 WeakPolarHBondContact CA-O 3.32Å; V837-R887 WeakPolarHBondContact CB-O 3.4Å; V837-L888 HydrophobicContact CG1-CD2 3.68Å; V837-L888 HydrophobicContact CG1-CG 4.32Å
838	E	86.6	Confident	75.4	Confident	34 Å²	34	67.6 Å²	67.6	16%	0.159	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.3	160	-71.1	166.4	97.9	0	0	108.8	W845 F846 T847 V886 R887 M889	E838-W845 HydrophobicContact CB-CE3 3.85Å; E838-W845 HydrophobicContact CB-CZ3 4.5Å; E838-F846 WeakPolarHBondContact CA-O 3.39Å; E838-T847 HydrophobicContact CG-CG2 3.83Å; E838-V886 WeakPolarHBondContact O-CA 3.08Å; E838-R887 HydrophobicContact CB-CG 3.94Å; E838-R887 PolarHBondContact N-O 3.32Å; E838-R887 PolarHBondContact O-N 3.43Å; E838-R887 IonicContact OE1-CZ 2.69Å; E838-R887 IonicContact OE1-NE 3.14Å; E838-R887 IonicContact OE1-NH2 3.02Å; E838-R887 PolarHBondContact OE1-NH2 3.27Å; E838-R887 IonicContact OE2-CZ 2.82Å; E838-R887 IonicContact OE2-NE 2.71Å; E838-R887 PolarHBondContact OE2-NE 2.89Å; E838-R887 IonicContact OE2-NH2 2.87Å; E838-R887 PolarHBondContact OE2-NH2 2.96Å; E838-M889 HydrophobicContact CG-CG 4.3Å; E838-M889 HydrophobicContact CG-SD 3.67Å
839	V	84.4	Confident	77	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.3	174.3	173.8	0	0	0	0	109.4	V837 V841 F846 V864 F866 V879 E885 V886	V837-V839 HydrophobicContact CG2-CG2 4.37Å; V839-V841 HydrophobicContact CG1-CG2 4.27Å; V839-F846 PolarHBondContact N-O 3.06Å; V839-F846 PolarHBondContact O-N 3.28Å; V839-V864 HydrophobicContact CG2-CB 4.1Å; V839-V864 HydrophobicContact CG2-CG1 4.05Å; V839-V864 HydrophobicContact CG2-CG2 3.81Å; V839-F866 HydrophobicContact CB-CE1 3.81Å; V839-F866 HydrophobicContact CB-CZ 3.87Å; V839-F866 HydrophobicContact CG1-CE1 4.46Å; V839-F866 HydrophobicContact CG1-CZ 4.04Å; V839-V879 HydrophobicContact CG1-CG1 3.66Å; V839-V879 HydrophobicContact CG2-CG1 4.45Å; V839-V879 HydrophobicContact CG2-CG2 4.05Å; V839-E885 CarbonylContact C-O 3.55Å; V839-E885 VanDerWaalsContact CA-O 3.31Å; V839-E885 WeakPolarHBondContact CA-O 3.33Å; V839-V886 HydrophobicContact CG2-CG1 4.2Å; V839-V886 HydrophobicContact CG2-CG2 4.31Å
840	R	80.5	Confident	78.3	Confident	109 Å²	109	69 Å²	69	41%	0.411	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.6	179.5	-150.6	176.2	-174.7	-177.6	0.2	110.9	K843 E844 W845 E885	R840-K843 PolarHBondContact NE-O 3.16Å; R840-K843 PolarHBondContact NH2-O 2.68Å; R840-E844 CarbonylContact C-O 3.53Å; R840-E844 VanDerWaalsContact CA-O 3.23Å; R840-E844 WeakPolarHBondContact CA-O 3.31Å; R840-E844 VanDerWaalsContact CG-O 3.23Å; R840-E844 WeakPolarHBondContact CG-O 3.39Å; R840-W845 HydrophobicContact CB-CD2 4.1Å; R840-W845 HydrophobicContact CB-CE3 3.87Å; R840-W845 HydrophobicContact CB-CH2 4.09Å; R840-W845 HydrophobicContact CB-CZ2 4.3Å; R840-W845 HydrophobicContact CB-CZ3 3.88Å; R840-W845 HydrophobicContact CG-CD2 4.06Å; R840-W845 HydrophobicContact CG-CE3 4.35Å; R840-W845 HydrophobicContact CG-CG 4.47Å; R840-W845 HydrophobicContact CG-CZ2 4.31Å; R840-E885 PolarHBondContact N-O 2.99Å
841	V	78.4	Confident	79.2	Confident	11 Å²	11	66.7 Å²	66.7	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.5	178.3	-171	0	0	0	0	108.1	V839 K843 E844 F846 F866 T873	V839-V841 HydrophobicContact CG1-CG2 4.27Å; V841-K843 PolarHBondContact O-N 3.1Å; V841-E844 PolarHBondContact N-O 3.31Å; V841-E844 PolarHBondContact O-N 3.31Å; V841-E844 VanDerWaalsContact O-O 3.13Å; V841-F846 HydrophobicContact CB-CD2 3.79Å; V841-F846 HydrophobicContact CB-CE2 3.92Å; V841-F846 HydrophobicContact CG2-CD2 4.08Å; V841-F866 HydrophobicContact CG2-CE1 4.44Å; V841-F866 HydrophobicContact CG2-CE2 4.45Å; V841-F866 HydrophobicContact CG2-CZ 3.81Å; V841-T873 HydrophobicContact CG1-CG2 3.74Å
842	N	71.1	Confident	80	Confident	132 Å²	132	60.5 Å²	60.5	71%	0.706	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	33.4	-178.2	-60.7	-7.6	0	0	0	114.8	E844	N842-E844 VanDerWaalsContact C-N 3.31Å; N842-E844 PolarHBondContact O-N 3.13Å
843	K	71.8	Confident	80.6	Confident	173 Å²	173	60.3 Å²	60.3	75%	0.752	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-11.5	-175.1	-52.2	176.2	-179.9	176.6	0	116.5	R840 V841	R840-K843 PolarHBondContact NE-O 3.16Å; R840-K843 PolarHBondContact NH2-O 2.68Å; V841-K843 PolarHBondContact O-N 3.1Å
844	E	67.3	Low	80.9	Confident	126 Å²	126	59.3 Å²	59.3	59%	0.589	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	163.2	173.4	-65.2	177	154.6	0	0	111.3	R840 V841 N842 F846	R840-E844 CarbonylContact C-O 3.53Å; R840-E844 VanDerWaalsContact CA-O 3.23Å; R840-E844 WeakPolarHBondContact CA-O 3.31Å; R840-E844 VanDerWaalsContact CG-O 3.23Å; R840-E844 WeakPolarHBondContact CG-O 3.39Å; V841-E844 PolarHBondContact N-O 3.31Å; V841-E844 PolarHBondContact O-N 3.31Å; V841-E844 VanDerWaalsContact O-O 3.13Å; N842-E844 VanDerWaalsContact C-N 3.31Å; N842-E844 PolarHBondContact O-N 3.13Å; E844-F846 HydrophobicContact CB-CE2 3.7Å; E844-F846 HydrophobicContact CB-CZ 4.03Å
845	W	81.9	Confident	81.2	Confident	84 Å²	84	59.7 Å²	59.7	32%	0.318	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.2	178.6	-70.5	99.5	0	0	0	110.8	E838 R840 D884 E885 R887	E838-W845 HydrophobicContact CB-CE3 3.85Å; E838-W845 HydrophobicContact CB-CZ3 4.5Å; R840-W845 HydrophobicContact CB-CD2 4.1Å; R840-W845 HydrophobicContact CB-CE3 3.87Å; R840-W845 HydrophobicContact CB-CH2 4.09Å; R840-W845 HydrophobicContact CB-CZ2 4.3Å; R840-W845 HydrophobicContact CB-CZ3 3.88Å; R840-W845 HydrophobicContact CG-CD2 4.06Å; R840-W845 HydrophobicContact CG-CE3 4.35Å; R840-W845 HydrophobicContact CG-CG 4.47Å; R840-W845 HydrophobicContact CG-CZ2 4.31Å; W845-D884 WeakPolarHBondContact CH2-O 3.23Å; W845-E885 WeakPolarHBondContact CZ3-O 3.41Å; W845-R887 HydrophobicContact CE3-CG 4.42Å; W845-R887 HydrophobicContact CH2-CG 4.34Å; W845-R887 HydrophobicContact CZ3-CG 3.99Å
846	F	78.2	Confident	80.4	Confident	31 Å²	31	60.9 Å²	60.9	14%	0.136	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.1	-179.9	-63.9	-89.2	0	0	0	110.7	E838 V839 V841 E844 F866 P870	E838-F846 WeakPolarHBondContact CA-O 3.39Å; V839-F846 PolarHBondContact N-O 3.06Å; V839-F846 PolarHBondContact O-N 3.28Å; V841-F846 HydrophobicContact CB-CD2 3.79Å; V841-F846 HydrophobicContact CB-CE2 3.92Å; V841-F846 HydrophobicContact CG2-CD2 4.08Å; E844-F846 HydrophobicContact CB-CE2 3.7Å; E844-F846 HydrophobicContact CB-CZ 4.03Å; F846-F866 HydrophobicContact CB-CD1 3.53Å; F846-F866 HydrophobicContact CB-CE1 3.56Å; F846-F866 HydrophobicContact CB-CG 4.5Å; F846-P870 HydrophobicContact CE1-CG 4.45Å
847	T	84.6	Confident	79.6	Confident	58 Å²	58	66.6 Å²	66.6	36%	0.356	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	140.5	176.9	54.3	0	0	0	0	111.6	V837 E838 F866 D867 M889	V837-T847 WeakPolarHBondContact O-CA 3.43Å; E838-T847 HydrophobicContact CG-CG2 3.83Å; T847-F866 WeakPolarHBondContact O-CA 3.33Å; T847-D867 PolarHBondContact O-N 3.23Å; T847-M889 HydrophobicContact CG2-CE 4.22Å; T847-M889 HydrophobicContact CG2-SD 4.34Å
848	G	81.9	Confident	78	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	174	175.2	0	0	0	0	0	113.6	V837 K865 D867	V837-G848 WeakPolarHBondContact CG2-O 3.37Å; V837-G848 PolarHBondContact N-O 2.9Å; V837-G848 PolarHBondContact O-N 3.02Å; V837-G848 VanDerWaalsContact O-O 3.09Å; G848-K865 CarbonylContact C-O 3.51Å; G848-K865 WeakPolarHBondContact CA-O 3.42Å; G848-D867 WeakPolarHBondContact CA-OD2 3.46Å
849	K	88.4	Confident	77.1	Confident	101 Å²	101	76.7 Å²	76.7	44%	0.439	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.3	-178.1	-159.9	167.8	-170.8	166.3	0	111.3	G834 L835 L836 I851 V864 K865	G834-K849 WeakPolarHBondContact O-CE 3.27Å; L835-K849 WeakPolarHBondContact O-CA 3.43Å; L836-K849 HydrophobicContact CD2-CB 4.14Å; L836-K849 HydrophobicContact CD2-CD 4.35Å; L836-K849 HydrophobicContact CD2-CG 4.15Å; K849-I851 PolarHBondContact O-N 3.3Å; K849-I851 VanDerWaalsContact O-N 3.09Å; K849-V864 WeakPolarHBondContact O-CA 3.49Å; K849-K865 PolarHBondContact N-O 3.03Å; K849-K865 PolarHBondContact O-N 3.09Å
850	V	86	Confident	77	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.012	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	103.7	175.5	-179.8	0	0	0	0	109.4	D832 G834 L835 V837 A852 V853 W862 K863 V864	D832-V850 WeakPolarHBondContact O-CB 3.22Å; D832-V850 WeakPolarHBondContact O-CG1 3.45Å; G834-V850 PolarHBondContact N-O 3.13Å; L835-V850 HydrophobicContact CB-CG2 4.3Å; L835-V850 PolarHBondContact O-N 3.12Å; V837-V850 HydrophobicContact CG1-CG2 4.07Å; V837-V850 HydrophobicContact CG2-CG2 4.03Å; V850-A852 WeakPolarHBondContact CG1-O 3.35Å; V850-V853 HydrophobicContact CG1-CG2 3.73Å; V850-W862 HydrophobicContact CG1-CB 3.92Å; V850-W862 HydrophobicContact CG1-CD2 4.46Å; V850-W862 HydrophobicContact CG1-CG 3.88Å; V850-W862 HydrophobicContact CG2-CB 4.15Å; V850-W862 HydrophobicContact CG2-CD2 3.92Å; V850-W862 HydrophobicContact CG2-CE3 3.95Å; V850-W862 HydrophobicContact CG2-CG 4.07Å; V850-K863 CarbonylContact C-O 3.4Å; V850-V864 HydrophobicContact CG2-CG2 4.3Å
851	I	85.9	Confident	77.2	Confident	75 Å²	75	76 Å²	76	39%	0.385	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-24.9	-178.7	54.3	159	0	0	0	113.3	K849 K863 K865 D876	K849-I851 PolarHBondContact O-N 3.3Å; K849-I851 VanDerWaalsContact O-N 3.09Å; I851-K863 HydrophobicContact CD1-CD 3.97Å; I851-K863 HydrophobicContact CD1-CG 4.41Å; I851-K863 HydrophobicContact CG1-CB 4.24Å; I851-K863 HydrophobicContact CG1-CD 4.31Å; I851-K863 HydrophobicContact CG1-CG 4.34Å; I851-K863 VanDerWaalsContact CG1-O 3.25Å; I851-K863 WeakPolarHBondContact CG1-O 3.38Å; I851-K863 PolarHBondContact N-O 3.21Å; I851-K865 HydrophobicContact CD1-CB 3.93Å; I851-K865 HydrophobicContact CG1-CB 4.07Å; I851-K865 HydrophobicContact CG2-CB 3.79Å; I851-D876 WeakPolarHBondContact CD1-OD2 3.44Å
852	A	83.8	Confident	77.6	Confident	26 Å²	26	75.8 Å²	75.8	22%	0.215	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.3	174.2	0	0	0	0	0	111.1	V850 K863 W878	V850-A852 WeakPolarHBondContact CG1-O 3.35Å; A852-K863 HydrophobicContact CB-CB 3.86Å; A852-K863 PolarHBondContact N-O 3.42Å; A852-K863 PolarHBondContact O-N 2.76Å; A852-W878 HydrophobicContact CB-CH2 4.04Å
853	V	84.6	Confident	78.4	Confident	14 Å²	14	72.1 Å²	72.1	9%	0.085	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.3	178.4	-177.6	0	0	0	0	107.4	A829 D832 K833 V850 V860 R861	A829-V853 HydrophobicContact CB-CG1 3.96Å; A829-V853 WeakPolarHBondContact O-CG1 3.5Å; D832-V853 HydrophobicContact CB-CG2 3.91Å; K833-V853 HydrophobicContact CG-CB 4.42Å; K833-V853 HydrophobicContact CG-CG2 3.66Å; V850-V853 HydrophobicContact CG1-CG2 3.73Å; V853-V860 HydrophobicContact CG1-CG1 3.64Å; V853-R861 CarbonylContact C-O 3.51Å; V853-R861 WeakPolarHBondContact CA-O 3.41Å
854	E	82.8	Confident	79	Confident	80 Å²	80	63.9 Å²	63.9	37%	0.374	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126	174.9	-177.5	-169.8	-123	0	0	107.8	V860 R861 W878	E854-V860 CarbonylContact O-C 3.52Å; E854-V860 WeakPolarHBondContact O-CA 3.37Å; E854-R861 PolarHBondContact N-O 3.38Å; E854-R861 PolarHBondContact O-N 3.04Å; E854-R861 IonicContact OE2-CZ 2.81Å; E854-R861 IonicContact OE2-NE 2.69Å; E854-R861 PolarHBondContact OE2-NE 2.86Å; E854-R861 IonicContact OE2-NH2 3.08Å; E854-R861 PolarHBondContact OE2-NH2 3.35Å; E854-W878 HydrophobicContact CB-CH2 4.03Å; E854-W878 HydrophobicContact CB-CZ3 3.95Å
855	A	79	Confident	79.9	Confident	45 Å²	45	63.1 Å²	63.1	37%	0.372	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.6	-176.1	0	0	0	0	0	110.8	A829 V860	A829-A855 HydrophobicContact CB-CB 4.01Å; A855-V860 HydrophobicContact CB-CG2 4.04Å
856	N	66.3	Low	79.9	Confident	89 Å²	89	59.9 Å²	59.9	48%	0.476	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	166.2	169.4	-79.1	-31.7	0	0	0	109.9	Q858 S859	N856-Q858 PolarHBondContact O-N 3.37Å; N856-S859 PolarHBondContact N-O 3.5Å; N856-S859 PolarHBondContact O-N 2.81Å; N856-S859 VanDerWaalsContact O-O 3.12Å
857	K	62	Low	79.3	Confident	209 Å²	209	63.2 Å²	63.2	91%	0.909	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-15.8	-173.9	-68.7	-173	178	-177.6	0	116.1
858	Q	53.3	Low	78.2	Confident	195 Å²	195	69.6 Å²	69.6	91%	0.911	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.9	2.5	-176.3	-69.7	172.4	-43.1	0	0	113.5	N856	N856-Q858 PolarHBondContact O-N 3.37Å
859	S	67.8	Low	77	Confident	50 Å²	50	71.3 Å²	71.3	35%	0.35	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	148.1	179.5	50.1	0	0	0	0	113.1	N856	N856-S859 PolarHBondContact N-O 3.5Å; N856-S859 PolarHBondContact O-N 2.81Å; N856-S859 VanDerWaalsContact O-O 3.12Å
860	V	80.6	Confident	75.1	Confident	13 Å²	13	69.8 Å²	69.8	8%	0.079	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.5	173	179.5	0	0	0	0	108.9	A829 V853 E854 A855 K881	A829-V860 HydrophobicContact CB-CG1 4.09Å; A829-V860 HydrophobicContact CB-CG2 4.19Å; V853-V860 HydrophobicContact CG1-CG1 3.64Å; E854-V860 CarbonylContact O-C 3.52Å; E854-V860 WeakPolarHBondContact O-CA 3.37Å; A855-V860 HydrophobicContact CB-CG2 4.04Å; V860-K881 HydrophobicContact CB-CB 4.02Å; V860-K881 HydrophobicContact CB-CD 4.1Å; V860-K881 HydrophobicContact CG1-CB 4.21Å; V860-K881 HydrophobicContact CG1-CD 4.05Å; V860-K881 PolarHBondContact O-N 3.32Å
861	R	85.1	Confident	73.5	Confident	82 Å²	82	81.3 Å²	81.3	31%	0.309	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.5	173	-73	-168.9	-74.1	-145.1	2.3	111.1	V853 E854 W878 V879 F880	V853-R861 CarbonylContact C-O 3.51Å; V853-R861 WeakPolarHBondContact CA-O 3.41Å; E854-R861 PolarHBondContact N-O 3.38Å; E854-R861 PolarHBondContact O-N 3.04Å; E854-R861 IonicContact OE2-CZ 2.81Å; E854-R861 IonicContact OE2-NE 2.69Å; E854-R861 PolarHBondContact OE2-NE 2.86Å; E854-R861 IonicContact OE2-NH2 3.08Å; E854-R861 PolarHBondContact OE2-NH2 3.35Å; R861-W878 HydrophobicContact CB-CE3 3.96Å; R861-W878 HydrophobicContact CB-CZ3 4.2Å; R861-V879 CarbonylContact C-O 3.56Å; R861-V879 WeakPolarHBondContact CA-O 3.3Å; R861-F880 HydrophobicContact CG-CD1 3.45Å; R861-F880 VanDerWaalsContact CG-CD1 3.45Å; R861-F880 HydrophobicContact CG-CD2 4.48Å; R861-F880 HydrophobicContact CG-CE1 3.47Å; R861-F880 VanDerWaalsContact CG-CE1 3.47Å; R861-F880 HydrophobicContact CG-CE2 4.49Å; R861-F880 HydrophobicContact CG-CG 4Å; R861-F880 HydrophobicContact CG-CZ 4.03Å
862	W	87.9	Confident	71.8	Confident	6 Å²	6	82.5 Å²	82.5	2%	0.023	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.5	174.6	-67.3	-16.2	0	0	0	109.4	D832 L835 V837 V850 V864 W878 V879 K881 V886 L888	D832-W862 HydrophobicContact CB-CZ2 3.9Å; D832-W862 VanDerWaalsContact CB-NE1 3.28Å; D832-W862 PolarHBondContact OD2-NE1 3.35Å; L835-W862 HydrophobicContact CD1-CH2 4.49Å; L835-W862 HydrophobicContact CD1-CZ2 4.3Å; V837-W862 HydrophobicContact CG1-CE3 4.01Å; V837-W862 HydrophobicContact CG1-CH2 4.43Å; V837-W862 HydrophobicContact CG1-CZ3 3.59Å; V850-W862 HydrophobicContact CG1-CB 3.92Å; V850-W862 HydrophobicContact CG1-CD2 4.46Å; V850-W862 HydrophobicContact CG1-CG 3.88Å; V850-W862 HydrophobicContact CG2-CB 4.15Å; V850-W862 HydrophobicContact CG2-CD2 3.92Å; V850-W862 HydrophobicContact CG2-CE3 3.95Å; V850-W862 HydrophobicContact CG2-CG 4.07Å; W862-V864 HydrophobicContact CB-CG2 4.33Å; W862-W878 VanDerWaalsContact C-CE3 3.42Å; W862-W878 WeakPolarHBondContact O-CA 3.5Å; W862-V879 HydrophobicContact CB-CG2 4.35Å; W862-V879 PolarHBondContact N-O 2.79Å; W862-V879 PolarHBondContact O-N 2.95Å; W862-K881 HydrophobicContact CD2-CB 4.28Å; W862-K881 HydrophobicContact CH2-CD 4.48Å; W862-K881 HydrophobicContact CH2-CG 3.99Å; W862-K881 HydrophobicContact CZ2-CB 4.18Å; W862-K881 HydrophobicContact CZ2-CD 3.63Å; W862-K881 HydrophobicContact CZ2-CG 3.56Å; W862-V886 HydrophobicContact CE3-CG1 3.98Å; W862-V886 HydrophobicContact CZ3-CG1 3.96Å; W862-L888 HydrophobicContact CH2-CD1 4.22Å; W862-L888 HydrophobicContact CH2-CD2 3.9Å; W862-L888 HydrophobicContact CH2-CG 4.04Å; W862-L888 HydrophobicContact CZ3-CD2 4.26Å; W862-L888 HydrophobicContact CZ3-CG 4.38Å
863	K	87.4	Confident	70.3	Confident	56 Å²	56	83.1 Å²	83.1	24%	0.243	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	109.7	164.4	-159.5	-171.7	-170.9	-146.6	0	107.4	V850 I851 A852 D876 R877 W878	V850-K863 CarbonylContact C-O 3.4Å; I851-K863 HydrophobicContact CD1-CD 3.97Å; I851-K863 HydrophobicContact CD1-CG 4.41Å; I851-K863 HydrophobicContact CG1-CB 4.24Å; I851-K863 HydrophobicContact CG1-CD 4.31Å; I851-K863 HydrophobicContact CG1-CG 4.34Å; I851-K863 VanDerWaalsContact CG1-O 3.25Å; I851-K863 WeakPolarHBondContact CG1-O 3.38Å; I851-K863 PolarHBondContact N-O 3.21Å; A852-K863 HydrophobicContact CB-CB 3.86Å; A852-K863 PolarHBondContact N-O 3.42Å; A852-K863 PolarHBondContact O-N 2.76Å; K863-D876 HydrophobicContact CD-CB 4.39Å; K863-D876 WeakPolarHBondContact CE-OD2 3.12Å; K863-D876 HydrophobicContact CG-CB 4.34Å; K863-D876 IonicContact NZ-OD2 2.7Å; K863-D876 PolarHBondContact NZ-OD2 3.13Å; K863-R877 WeakPolarHBondContact CA-O 3.46Å; K863-W878 HydrophobicContact CB-CD2 3.71Å; K863-W878 HydrophobicContact CB-CE3 3.69Å; K863-W878 HydrophobicContact CB-CG 4.45Å; K863-W878 HydrophobicContact CB-CH2 3.87Å; K863-W878 HydrophobicContact CB-CZ2 3.88Å; K863-W878 HydrophobicContact CB-CZ3 3.77Å; K863-W878 HydrophobicContact CD-CZ2 4.11Å; K863-W878 HydrophobicContact CG-CD2 3.9Å; K863-W878 HydrophobicContact CG-CE3 4.39Å; K863-W878 HydrophobicContact CG-CG 4.22Å; K863-W878 HydrophobicContact CG-CZ2 4.21Å; K863-W878 VanDerWaalsContact N-CE3 3.34Å
864	V	84.6	Confident	69	Low	0 Å²	0	87 Å²	87	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.9	179.3	-179	0	0	0	0	107.9	V837 V839 K849 V850 W862 F866 D876 R877 V879	V837-V864 HydrophobicContact CG2-CB 4.3Å; V837-V864 HydrophobicContact CG2-CG1 3.66Å; V837-V864 HydrophobicContact CG2-CG2 3.6Å; V839-V864 HydrophobicContact CG2-CB 4.1Å; V839-V864 HydrophobicContact CG2-CG1 4.05Å; V839-V864 HydrophobicContact CG2-CG2 3.81Å; K849-V864 WeakPolarHBondContact O-CA 3.49Å; V850-V864 HydrophobicContact CG2-CG2 4.3Å; W862-V864 HydrophobicContact CB-CG2 4.33Å; V864-F866 HydrophobicContact CG1-CE1 4.37Å; V864-D876 CarbonylContact O-C 3.49Å; V864-D876 VanDerWaalsContact O-CA 3.23Å; V864-D876 WeakPolarHBondContact O-CA 3.37Å; V864-R877 PolarHBondContact N-O 3.1Å; V864-R877 PolarHBondContact O-N 3.01Å; V864-V879 HydrophobicContact CG2-CG2 3.89Å
865	K	85.1	Confident	68	Low	109 Å²	109	91.2 Å²	91.2	47%	0.474	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.2	165.6	173.6	178.5	176.2	-165	0	107.6	G848 K849 I851 D876	G848-K865 CarbonylContact C-O 3.51Å; G848-K865 WeakPolarHBondContact CA-O 3.42Å; K849-K865 PolarHBondContact N-O 3.03Å; K849-K865 PolarHBondContact O-N 3.09Å; I851-K865 HydrophobicContact CD1-CB 3.93Å; I851-K865 HydrophobicContact CG1-CB 4.07Å; I851-K865 HydrophobicContact CG2-CB 3.79Å; K865-D876 WeakPolarHBondContact CB-OD1 3.42Å; K865-D876 WeakPolarHBondContact CG-OD1 3.46Å
866	F	82.3	Confident	67.9	Low	17 Å²	17	91.3 Å²	91.3	8%	0.075	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.1	-179.7	-65.7	-75.2	0	0	0	112.1	V839 V841 F846 T847 V864 V869 K875 R877	V839-F866 HydrophobicContact CB-CE1 3.81Å; V839-F866 HydrophobicContact CB-CZ 3.87Å; V839-F866 HydrophobicContact CG1-CE1 4.46Å; V839-F866 HydrophobicContact CG1-CZ 4.04Å; V841-F866 HydrophobicContact CG2-CE1 4.44Å; V841-F866 HydrophobicContact CG2-CE2 4.45Å; V841-F866 HydrophobicContact CG2-CZ 3.81Å; F846-F866 HydrophobicContact CB-CD1 3.53Å; F846-F866 HydrophobicContact CB-CE1 3.56Å; F846-F866 HydrophobicContact CB-CG 4.5Å; T847-F866 WeakPolarHBondContact O-CA 3.33Å; V864-F866 HydrophobicContact CG1-CE1 4.37Å; F866-V869 HydrophobicContact CB-CG2 3.2Å; F866-V869 HydrophobicContact CD2-CG2 4Å; F866-V869 HydrophobicContact CG-CG2 3.74Å; F866-K875 PolarHBondContact N-O 3.36Å; F866-R877 HydrophobicContact CE2-CB 3.85Å; F866-R877 HydrophobicContact CZ-CB 4.31Å
867	D	66.6	Low	68.6	Low	100 Å²	100	90.7 Å²	90.7	54%	0.535	44%	0.438	S	S	.	.	S	Bend	trans	-82.4	-31.6	179.8	-58	-55.9	0	0	0	111.5	T847 G848	T847-D867 PolarHBondContact O-N 3.23Å; G848-D867 WeakPolarHBondContact CA-OD2 3.46Å
868	Y	61.3	Low	69.7	Low	193 Å²	193	86.2 Å²	86.2	76%	0.757	42%	0.416	S	S	*	.	S	Bend	trans	-147	136	171.1	-166.9	-91.9	0	0	0	111.1
869	V	55.8	Low	71.1	Confident	36 Å²	36	77.1 Å²	77.1	22%	0.218	37%	0.374	C	S	.	.			trans	-146.9	135.8	177.6	-162.7	0	0	0	0	110.4	F866 T873	F866-V869 HydrophobicContact CB-CG2 3.2Å; F866-V869 HydrophobicContact CD2-CG2 4Å; F866-V869 HydrophobicContact CG-CG2 3.74Å; V869-T873 VanDerWaalsContact CG1-OG1 3.24Å; V869-T873 WeakPolarHBondContact CG1-OG1 3.32Å
870	P	49	Very low	71.9	Confident	69 Å²	69	79.3 Å²	79.3	45%	0.448	38%	0.377	S	S	.	.			trans	-57.2	153.2	166.9	-24.8	35.4	0	0	0	112.8	F846 A872 T873	F846-P870 HydrophobicContact CE1-CG 4.45Å; P870-A872 PolarHBondContact O-N 2.93Å; P870-T873 PolarHBondContact O-N 2.94Å
871	R	51.5	Low	71.8	Confident	244 Å²	244	81.6 Å²	81.6	92%	0.921	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	1	-163.2	-54.6	-174.9	-169.3	-144.6	1.4	116.9
872	A	50.3	Low	71.1	Confident	100 Å²	100	81.3 Å²	81.3	83%	0.826	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	1.6	-173.5	0	0	0	0	0	114.8	P870	P870-A872 PolarHBondContact O-N 2.93Å
873	T	52.6	Low	70.8	Confident	39 Å²	39	83 Å²	83	24%	0.239	42%	0.421	C	S	.	.	S	Bend	trans	-125.9	149.3	-177.1	8.5	0	0	0	0	113.1	V841 V869 P870	V841-T873 HydrophobicContact CG1-CG2 3.74Å; V869-T873 VanDerWaalsContact CG1-OG1 3.24Å; V869-T873 WeakPolarHBondContact CG1-OG1 3.32Å; P870-T873 PolarHBondContact O-N 2.94Å
874	P	57.2	Low	70.3	Confident	95 Å²	95	87.8 Å²	87.8	62%	0.617	45%	0.449	S	S	*	.			trans	-63.6	136.5	-177.1	-23.2	34.9	0	0	0	113.2	D876	P874-D876 PolarHBondContact O-N 3.35Å
875	K	61.6	Low	70	Confident	168 Å²	168	91.6 Å²	91.6	73%	0.73	47%	0.467	S	S	*	.	S	Bend	trans	-63.6	-26	-177.8	-65.6	-177.5	177.8	179.1	0	114.2	F866	F866-K875 PolarHBondContact N-O 3.36Å
876	D	77.8	Confident	69.8	Low	48 Å²	48	87.1 Å²	87.1	26%	0.257	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.7	172.1	-54.2	-7.3	0	0	0	109.8	I851 K863 V864 K865 P874	I851-D876 WeakPolarHBondContact CD1-OD2 3.44Å; K863-D876 HydrophobicContact CD-CB 4.39Å; K863-D876 WeakPolarHBondContact CE-OD2 3.12Å; K863-D876 HydrophobicContact CG-CB 4.34Å; K863-D876 IonicContact NZ-OD2 2.7Å; K863-D876 PolarHBondContact NZ-OD2 3.13Å; V864-D876 CarbonylContact O-C 3.49Å; V864-D876 VanDerWaalsContact O-CA 3.23Å; V864-D876 WeakPolarHBondContact O-CA 3.37Å; K865-D876 WeakPolarHBondContact CB-OD1 3.42Å; K865-D876 WeakPolarHBondContact CG-OD1 3.46Å; P874-D876 PolarHBondContact O-N 3.35Å
877	R	79.8	Confident	69.9	Low	75 Å²	75	91.9 Å²	91.9	28%	0.283	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.8	171.9	-179.2	173.2	166.5	161.2	-9.4	111	K863 V864 F866 V879 E885	K863-R877 WeakPolarHBondContact CA-O 3.46Å; V864-R877 PolarHBondContact N-O 3.1Å; V864-R877 PolarHBondContact O-N 3.01Å; F866-R877 HydrophobicContact CE2-CB 3.85Å; F866-R877 HydrophobicContact CZ-CB 4.31Å; R877-V879 HydrophobicContact CG-CG1 4.08Å; R877-E885 IonicContact CZ-OE2 2.78Å; R877-E885 IonicContact NH2-OE1 2.94Å; R877-E885 PolarHBondContact NH2-OE1 2.86Å; R877-E885 IonicContact NH2-OE2 3.27Å; R877-E885 PolarHBondContact NH2-OE2 2.94Å
878	W	86.3	Confident	70.4	Confident	115 Å²	115	91.7 Å²	91.7	44%	0.436	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135.3	167.4	-77.2	106.6	0	0	0	110.3	A852 E854 R861 W862 K863	A852-W878 HydrophobicContact CB-CH2 4.04Å; E854-W878 HydrophobicContact CB-CH2 4.03Å; E854-W878 HydrophobicContact CB-CZ3 3.95Å; R861-W878 HydrophobicContact CB-CE3 3.96Å; R861-W878 HydrophobicContact CB-CZ3 4.2Å; W862-W878 VanDerWaalsContact C-CE3 3.42Å; W862-W878 WeakPolarHBondContact O-CA 3.5Å; K863-W878 HydrophobicContact CB-CD2 3.71Å; K863-W878 HydrophobicContact CB-CE3 3.69Å; K863-W878 HydrophobicContact CB-CG 4.45Å; K863-W878 HydrophobicContact CB-CH2 3.87Å; K863-W878 HydrophobicContact CB-CZ2 3.88Å; K863-W878 HydrophobicContact CB-CZ3 3.77Å; K863-W878 HydrophobicContact CD-CZ2 4.11Å; K863-W878 HydrophobicContact CG-CD2 3.9Å; K863-W878 HydrophobicContact CG-CE3 4.39Å; K863-W878 HydrophobicContact CG-CG 4.22Å; K863-W878 HydrophobicContact CG-CZ2 4.21Å; K863-W878 VanDerWaalsContact N-CE3 3.34Å
879	V	82.9	Confident	70.7	Confident	5 Å²	5	86.5 Å²	86.5	3%	0.03	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.9	179.8	-69.4	0	0	0	0	111.2	V839 R861 W862 V864 R877 V886	V839-V879 HydrophobicContact CG1-CG1 3.66Å; V839-V879 HydrophobicContact CG2-CG1 4.45Å; V839-V879 HydrophobicContact CG2-CG2 4.05Å; R861-V879 CarbonylContact C-O 3.56Å; R861-V879 WeakPolarHBondContact CA-O 3.3Å; W862-V879 HydrophobicContact CB-CG2 4.35Å; W862-V879 PolarHBondContact N-O 2.79Å; W862-V879 PolarHBondContact O-N 2.95Å; V864-V879 HydrophobicContact CG2-CG2 3.89Å; R877-V879 HydrophobicContact CG-CG1 4.08Å; V879-V886 HydrophobicContact CB-CG2 3.5Å; V879-V886 HydrophobicContact CG1-CG2 4.09Å; V879-V886 HydrophobicContact CG2-CG1 4.41Å; V879-V886 HydrophobicContact CG2-CG2 3.49Å; V879-V886 VanDerWaalsContact CG2-CG2 3.49Å
880	F	84.8	Confident	70.3	Confident	95 Å²	95	95.4 Å²	95.4	42%	0.417	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.5	178.8	-70.6	-88.8	0	0	0	111.8	R861 G882 S883	R861-F880 HydrophobicContact CG-CD1 3.45Å; R861-F880 VanDerWaalsContact CG-CD1 3.45Å; R861-F880 HydrophobicContact CG-CD2 4.48Å; R861-F880 HydrophobicContact CG-CE1 3.47Å; R861-F880 VanDerWaalsContact CG-CE1 3.47Å; R861-F880 HydrophobicContact CG-CE2 4.49Å; R861-F880 HydrophobicContact CG-CG 4Å; R861-F880 HydrophobicContact CG-CZ 4.03Å; F880-G882 PolarHBondContact O-N 3.49Å; F880-S883 WeakPolarHBondContact O-CB 3.25Å; F880-S883 PolarHBondContact O-N 2.8Å
881	K	78.5	Confident	69.6	Low	62 Å²	62	97.6 Å²	97.6	27%	0.27	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	121.9	173.1	-179.4	177.6	-173	174	0	109	D825 D832 V860 W862	D825-K881 IonicContact OD1-NZ 2.58Å; D825-K881 PolarHBondContact OD1-NZ 2.94Å; D832-K881 VanDerWaalsContact CG-NZ 3.34Å; D832-K881 IonicContact OD1-NZ 3.55Å; D832-K881 PolarHBondContact OD1-NZ 3.24Å; D832-K881 VanDerWaalsContact OD1-NZ 3.08Å; D832-K881 WeakPolarHBondContact OD2-CD 3.33Å; D832-K881 WeakPolarHBondContact OD2-CE 3.38Å; D832-K881 IonicContact OD2-NZ 2.74Å; D832-K881 PolarHBondContact OD2-NZ 3.41Å; V860-K881 HydrophobicContact CB-CB 4.02Å; V860-K881 HydrophobicContact CB-CD 4.1Å; V860-K881 HydrophobicContact CG1-CB 4.21Å; V860-K881 HydrophobicContact CG1-CD 4.05Å; V860-K881 PolarHBondContact O-N 3.32Å; W862-K881 HydrophobicContact CD2-CB 4.28Å; W862-K881 HydrophobicContact CH2-CD 4.48Å; W862-K881 HydrophobicContact CH2-CG 3.99Å; W862-K881 HydrophobicContact CZ2-CB 4.18Å; W862-K881 HydrophobicContact CZ2-CD 3.63Å; W862-K881 HydrophobicContact CZ2-CG 3.56Å
882	G	70.1	Confident	68.5	Low	75 Å²	75	92.1 Å²	92.1	77%	0.773	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	11.6	-178.1	0	0	0	0	0	115.7	F880	F880-G882 PolarHBondContact O-N 3.49Å
883	S	80.5	Confident	67.4	Low	41 Å²	41	92.5 Å²	92.5	29%	0.287	49%	0.485	S	S	.	.			trans	-78.2	147.9	168.7	174.8	0	0	0	0	111.6	F880 E885 V886	F880-S883 WeakPolarHBondContact O-CB 3.25Å; F880-S883 PolarHBondContact O-N 2.8Å; S883-E885 PolarHBondContact O-N 2.95Å; S883-E885 PolarHBondContact OG-N 3.01Å; S883-V886 PolarHBondContact O-N 2.84Å; S883-V886 VanDerWaalsContact O-O 3.11Å
884	D	77.8	Confident	66.8	Low	158 Å²	158	96.8 Å²	96.8	85%	0.845	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-14.8	172.5	-56.1	-42	0	0	0	114.2	W845 V886	W845-D884 WeakPolarHBondContact CH2-O 3.23Å; D884-V886 VanDerWaalsContact C-N 3.29Å
885	E	77.7	Confident	65.8	Low	79 Å²	79	100.1 Å²	100.1	37%	0.369	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-4.9	170.5	-65.4	-162.7	136.2	0	0	113.8	V839 R840 W845 R877 S883	V839-E885 CarbonylContact C-O 3.55Å; V839-E885 VanDerWaalsContact CA-O 3.31Å; V839-E885 WeakPolarHBondContact CA-O 3.33Å; R840-E885 PolarHBondContact N-O 2.99Å; W845-E885 WeakPolarHBondContact CZ3-O 3.41Å; R877-E885 IonicContact CZ-OE2 2.78Å; R877-E885 IonicContact NH2-OE1 2.94Å; R877-E885 PolarHBondContact NH2-OE1 2.86Å; R877-E885 IonicContact NH2-OE2 3.27Å; R877-E885 PolarHBondContact NH2-OE2 2.94Å; S883-E885 PolarHBondContact O-N 2.95Å; S883-E885 PolarHBondContact OG-N 3.01Å
886	V	80.9	Confident	64.1	Low	16 Å²	16	98 Å²	98	10%	0.097	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	128.9	-169.6	-168.9	0	0	0	0	112.2	V837 E838 V839 W862 V879 S883 D884	V837-V886 HydrophobicContact CB-CG1 4.46Å; E838-V886 WeakPolarHBondContact O-CA 3.08Å; V839-V886 HydrophobicContact CG2-CG1 4.2Å; V839-V886 HydrophobicContact CG2-CG2 4.31Å; W862-V886 HydrophobicContact CE3-CG1 3.98Å; W862-V886 HydrophobicContact CZ3-CG1 3.96Å; V879-V886 HydrophobicContact CB-CG2 3.5Å; V879-V886 HydrophobicContact CG1-CG2 4.09Å; V879-V886 HydrophobicContact CG2-CG1 4.41Å; V879-V886 HydrophobicContact CG2-CG2 3.49Å; V879-V886 VanDerWaalsContact CG2-CG2 3.49Å; S883-V886 PolarHBondContact O-N 2.84Å; S883-V886 VanDerWaalsContact O-O 3.11Å; D884-V886 VanDerWaalsContact C-N 3.29Å
887	R	84.5	Confident	61.8	Low	117 Å²	117	104.7 Å²	104.7	44%	0.442	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.9	146.2	170.3	66	-172.3	-167.2	-167.4	-0.3	112	V837 E838 W845	V837-R887 CarbonylContact C-O 3.4Å; V837-R887 VanDerWaalsContact CA-O 3.28Å; V837-R887 WeakPolarHBondContact CA-O 3.32Å; V837-R887 WeakPolarHBondContact CB-O 3.4Å; E838-R887 HydrophobicContact CB-CG 3.94Å; E838-R887 PolarHBondContact N-O 3.32Å; E838-R887 PolarHBondContact O-N 3.43Å; E838-R887 IonicContact OE1-CZ 2.69Å; E838-R887 IonicContact OE1-NE 3.14Å; E838-R887 IonicContact OE1-NH2 3.02Å; E838-R887 PolarHBondContact OE1-NH2 3.27Å; E838-R887 IonicContact OE2-CZ 2.82Å; E838-R887 IonicContact OE2-NE 2.71Å; E838-R887 PolarHBondContact OE2-NE 2.89Å; E838-R887 IonicContact OE2-NH2 2.87Å; E838-R887 PolarHBondContact OE2-NH2 2.96Å; W845-R887 HydrophobicContact CE3-CG 4.42Å; W845-R887 HydrophobicContact CH2-CG 4.34Å; W845-R887 HydrophobicContact CZ3-CG 3.99Å
888	L	78	Confident	59.2	Low	96 Å²	96	107.7 Å²	107.7	50%	0.503	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.1	133.6	174	-79.9	161.5	0	0	0	110.3	L835 V837 W862 R890	L835-L888 HydrophobicContact CB-CD2 3.99Å; L835-L888 HydrophobicContact CD1-CD2 3.85Å; L835-L888 HydrophobicContact CG-CD2 4.35Å; V837-L888 HydrophobicContact CG1-CD2 3.68Å; V837-L888 HydrophobicContact CG1-CG 4.32Å; W862-L888 HydrophobicContact CH2-CD1 4.22Å; W862-L888 HydrophobicContact CH2-CD2 3.9Å; W862-L888 HydrophobicContact CH2-CG 4.04Å; W862-L888 HydrophobicContact CZ3-CD2 4.26Å; W862-L888 HydrophobicContact CZ3-CG 4.38Å; L888-R890 PolarHBondContact O-N 3.06Å
889	M	67.9	Low	56.9	Low	83 Å²	83	107.4 Å²	107.4	41%	0.409	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-67.2	120.7	170.7	-74.4	-74.6	-80.3	0	0	109	L836 E838 T847	L836-M889 HydrophobicContact CB-CB 3.97Å; L836-M889 HydrophobicContact CB-CG 4.18Å; L836-M889 PolarHBondContact O-N 2.83Å; E838-M889 HydrophobicContact CG-CG 4.3Å; E838-M889 HydrophobicContact CG-SD 3.67Å; T847-M889 HydrophobicContact CG2-CE 4.22Å; T847-M889 HydrophobicContact CG2-SD 4.34Å
890	R	45.7	Very low	54.4	Low	224 Å²	224	114.2 Å²	114.2	85%	0.845	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-77.5	147.7	163.9	-67.4	-175.1	-173.4	165.1	3.9	109	L888	L888-R890 PolarHBondContact O-N 3.06Å
891	P	36	Very low	51.8	Low	115 Å²	115	115.4 Å²	115.4	75%	0.747	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-60.5	142.9	168	27.8	-34.3	0	0	0	109.8	S893	P891-S893 PolarHBondContact O-N 3.28Å
892	P	28.3	Very low	49.3	Very low	128 Å²	128	120.4 Å²	120.4	83%	0.831	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-72.2	129.3	-178.5	28.7	-33.9	0	0	0	111.4
893	S	27.5	Very low	47.4	Very low	108 Å²	108	125.1 Å²	125.1	76%	0.755	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-91	151.8	160.3	-55	0	0	0	0	109.2	P891	P891-S893 PolarHBondContact O-N 3.28Å
894	P	38.7	Very low	44.9	Very low	129 Å²	129	131.3 Å²	131.3	84%	0.838	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-69.5	136.8	-167.3	25.8	-34.4	0	0	0	114.6
895	N	37.6	Very low	42.4	Very low	165 Å²	165	130.2 Å²	130.2	88%	0.882	70%	0.703	S	S	*	*			trans	-6.3	143	171.4	-60.6	-3.6	0	0	0	121.2
896	S	25.3	Very low	40.1	Very low	123 Å²	123	133.9 Å²	133.9	86%	0.86	72%	0.72	S	S	*	*			trans	-138.7	140.9	144.3	57.5	0	0	0	0	111.1
897	Q	29.8	Very low	37.6	Very low	189 Å²	189	141.5 Å²	141.5	88%	0.883	75%	0.752	S	S	*	*			trans	-154	131.8	176.4	-123.3	-168.7	-0.1	0	0	108.5
898	T	25.6	Very low	34.8	Very low	139 Å²	139	139 Å²	139	85%	0.853	76%	0.762	S	S	*	*			trans	171.6	157.9	167.1	28.5	0	0	0	0	108.3
899	P	37.5	Very low	32.3	Very low	109 Å²	109	140.9 Å²	140.9	71%	0.708	78%	0.783	S	S	*	*				-133.1	172.3	-63.6	32.1	-10.8	0	0	0	114.2
900	D	29	Very low	30.5	Very low	148 Å²	148	141.4 Å²	141.4	79%	0.791	80%	0.801	S	S	*	*			trans	24.4	139	156.9	-68.3	-61	0	0	0	124.6
901	T	30.5	Very low	30.5	Very low	120 Å²	120	136.2 Å²	136.2	74%	0.736	80%	0.797	S	S	*	*				-173.3	134	106	18	0	0	0	0	115.7
902	Q	27	Very low	30.2	Very low	167 Å²	167	139 Å²	139	78%	0.78	80%	0.802	S	S	*	*			trans	66.5	153.3	152.7	-60.8	173.3	20.8	0	0	118
903	Q	30	Very low	30.7	Very low	173 Å²	173	141 Å²	141	81%	0.808	80%	0.8	S	S	*	*			cis	-143.2	179.8	17	-148.6	164.7	41.8	0	0	112.7
904	E	27.2	Very low	31.5	Very low	172 Å²	172	141.9 Å²	141.9	80%	0.804	80%	0.803	S	S	*	*			trans	-99.4	165.1	-156.8	-51.3	162	103.1	0	0	116.8
905	T	26.6	Very low	31.1	Very low	134 Å²	134	142.8 Å²	142.8	82%	0.822	80%	0.801	S	S	*	*				-173	133	120.3	14.4	0	0	0	0	114.4
906	E	28.8	Very low	31.4	Very low	156 Å²	156	140.6 Å²	140.6	73%	0.729	79%	0.794	S	S	*	*			trans	44	138.2	152.2	-68.3	-160.7	147.9	0	0	121.7
907	K	28.5	Very low	32.4	Very low	177 Å²	177	141.1 Å²	141.1	77%	0.77	79%	0.792	S	S	*	*			cis	-152.7	157	5.8	-94.6	142.4	173.9	142	0	106.8
908	G	24.8	Very low	32.8	Very low	63 Å²	63	140.8 Å²	140.8	65%	0.649	79%	0.79	S	S	*	*			cis	167.9	-178.7	-0.9	0	0	0	0	0	111.2
909	S	26.6	Very low	33.9	Very low	136 Å²	136	141.1 Å²	141.1	95%	0.951	80%	0.795	S	S	*	*			trans	84.4	142.7	-177.4	77.7	0	0	0	0	118
910	A	29.1	Very low	34.4	Very low	94 Å²	94	138.4 Å²	138.4	78%	0.777	79%	0.786	S	S	*	*			trans	-146.3	-178.8	-171.9	0	0	0	0	0	107.4
911	P	46.3	Very low	35.6	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	78%	0.781	S	S	*	*			cis	-121.6	-162.7	9.7	41.9	-22.6	0	0	0	112
912	M	30.8	Very low	37	Very low	173 Å²	173	135.4 Å²	135.4	85%	0.852	78%	0.777	S	S	*	*			cis	-158.3	156	13.9	-153.8	168.2	80	0	0	110.5
913	E	37.6	Very low	39	Very low	169 Å²	169	136.8 Å²	136.8	79%	0.79	78%	0.775	S	S	*	*			trans	-80.3	165.1	173.3	-70.3	-166.2	145.3	0	0	113.7
914	P	43.8	Very low	41	Very low	128 Å²	128	135.9 Å²	135.9	83%	0.831	77%	0.771	S	S	*	*				-131.5	149.1	122.8	37.9	-30.5	0	0	0	116
915	D	31.1	Very low	43.2	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	76%	0.758	S	S	*	*			trans	-42	161.4	-179.6	-159.8	0	0	0	0	119
916	T	44	Very low	45.6	Very low	119 Å²	119	128.6 Å²	128.6	73%	0.73	74%	0.738	S	S	*	*			trans	-107.8	132.2	-179.1	59.9	0	0	0	0	113.2
917	T	45.8	Very low	48	Very low	134 Å²	134	125.4 Å²	125.4	82%	0.822	73%	0.726	S	S	*	*			trans	-169.7	100.7	153.6	8.8	0	0	0	0	113.3
918	Q	37.8	Very low	50.5	Low	183 Å²	183	120.5 Å²	120.5	86%	0.855	71%	0.714	S	S	*	*			trans	-159.3	127.7	149.2	-83.2	-142.9	6.9	0	0	111.8	G920	Q918-G920 PolarHBondContact O-N 3.09Å
919	P	50.3	Low	53.3	Low	145 Å²	145	122.4 Å²	122.4	94%	0.942	71%	0.709	S	S	*	*			trans	-95.5	82.1	176.7	35.8	-32	0	0	0	112.1
920	G	47.1	Very low	56.1	Low	52 Å²	52	116.8 Å²	116.8	54%	0.536	67%	0.669	S	S	.	*			trans	-127.1	-36.4	-178.8	0	0	0	0	0	116.4	Q918 S922	Q918-G920 PolarHBondContact O-N 3.09Å; G920-S922 PolarHBondContact O-N 2.92Å
921	T	54.3	Low	58.7	Low	112 Å²	112	114.7 Å²	114.7	69%	0.687	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-14.1	-161.5	49.6	0	0	0	0	116	R923 V925	T921-R923 PolarHBondContact O-N 2.88Å; T921-V925 WeakPolarHBondContact O-CG2 3.38Å
922	S	60.1	Low	60.5	Low	93 Å²	93	114.4 Å²	114.4	65%	0.65	64%	0.641	S	S	*	*	H	α-helix	trans	-69.3	-29.5	-169.7	-170.8	0	0	0	0	114.6	G920 T926	G920-S922 PolarHBondContact O-N 2.92Å; S922-T926 PolarHBondContact O-N 3.35Å; S922-T926 PolarHBondContact O-OG1 2.78Å
923	R	68.5	Low	63.1	Low	196 Å²	196	108.7 Å²	108.7	74%	0.74	61%	0.614	S	S	*	*	H	α-helix	trans	-84	-48.9	-168.5	-166.9	170.1	-175.5	151.9	4	112.7	T921 V925 T926 D927	T921-R923 PolarHBondContact O-N 2.88Å; R923-V925 VanDerWaalsContact C-N 3.29Å; R923-V925 PolarHBondContact O-N 3.49Å; R923-T926 WeakPolarHBondContact O-CA 3.33Å; R923-T926 VanDerWaalsContact O-CB 3.31Å; R923-T926 WeakPolarHBondContact O-CB 3.47Å; R923-T926 PolarHBondContact O-N 3.45Å; R923-D927 PolarHBondContact O-N 2.78Å
924	E	71.5	Confident	65.5	Low	155 Å²	155	104 Å²	104	72%	0.724	59%	0.589	S	S	*	*	H	α-helix	trans	-61.5	-37.9	179.2	-60.8	178.9	147.6	0	0	112	T926 D927 S928	E924-T926 VanDerWaalsContact C-N 3.32Å; E924-T926 PolarHBondContact O-N 2.95Å; E924-D927 PolarHBondContact O-N 3.45Å; E924-S928 WeakPolarHBondContact O-CB 3.4Å; E924-S928 PolarHBondContact O-N 2.85Å
925	V	73.3	Confident	67.5	Low	86 Å²	86	102.4 Å²	102.4	52%	0.521	58%	0.577	S	S	.	*	H	α-helix	trans	-62	-40.1	172	174.5	0	0	0	0	111.3	T921 R923 S928 L929	T921-V925 WeakPolarHBondContact O-CG2 3.38Å; R923-V925 VanDerWaalsContact C-N 3.29Å; R923-V925 PolarHBondContact O-N 3.49Å; V925-S928 PolarHBondContact O-N 2.97Å; V925-L929 HydrophobicContact CG1-CD1 4.08Å; V925-L929 WeakPolarHBondContact O-CB 3.47Å; V925-L929 VanDerWaalsContact O-CG 3.28Å; V925-L929 WeakPolarHBondContact O-CG 3.48Å; V925-L929 PolarHBondContact O-N 3.12Å
926	T	77.4	Confident	70.1	Confident	66 Å²	66	99.8 Å²	99.8	41%	0.405	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-47	177	-56.7	0	0	0	0	111.4	S922 R923 E924 S928 L929 V930	S922-T926 PolarHBondContact O-N 3.35Å; S922-T926 PolarHBondContact O-OG1 2.78Å; R923-T926 WeakPolarHBondContact O-CA 3.33Å; R923-T926 VanDerWaalsContact O-CB 3.31Å; R923-T926 WeakPolarHBondContact O-CB 3.47Å; R923-T926 PolarHBondContact O-N 3.45Å; E924-T926 VanDerWaalsContact C-N 3.32Å; E924-T926 PolarHBondContact O-N 2.95Å; T926-S928 VanDerWaalsContact C-N 3.32Å; T926-S928 PolarHBondContact O-N 3.19Å; T926-L929 PolarHBondContact O-N 2.89Å; T926-V930 WeakPolarHBondContact O-CG2 3.28Å; T926-V930 PolarHBondContact O-N 3.46Å
927	D	80.1	Confident	72.1	Confident	90 Å²	90	94.2 Å²	94.2	48%	0.481	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-36.3	178.9	-69.4	-42.6	0	0	0	111.7	R923 E924 V930 A931	R923-D927 PolarHBondContact O-N 2.78Å; E924-D927 PolarHBondContact O-N 3.45Å; D927-V930 PolarHBondContact O-N 2.75Å; D927-A931 PolarHBondContact O-N 2.84Å
928	S	80.2	Confident	74	Confident	74 Å²	74	92.7 Å²	92.7	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-66.1	-40.3	172.6	-173	0	0	0	0	112.9	E924 V925 T926 A931 M932	E924-S928 WeakPolarHBondContact O-CB 3.4Å; E924-S928 PolarHBondContact O-N 2.85Å; V925-S928 PolarHBondContact O-N 2.97Å; T926-S928 VanDerWaalsContact C-N 3.32Å; T926-S928 PolarHBondContact O-N 3.19Å; S928-A931 PolarHBondContact O-N 3.23Å; S928-M932 WeakPolarHBondContact O-CB 3.35Å; S928-M932 PolarHBondContact O-N 2.77Å
929	L	82.7	Confident	76.1	Confident	103 Å²	103	92.9 Å²	92.9	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-40.5	175.4	-75.4	167.1	0	0	0	111.5	V925 T926 M932 L933	V925-L929 HydrophobicContact CG1-CD1 4.08Å; V925-L929 WeakPolarHBondContact O-CB 3.47Å; V925-L929 VanDerWaalsContact O-CG 3.28Å; V925-L929 WeakPolarHBondContact O-CG 3.48Å; V925-L929 PolarHBondContact O-N 3.12Å; T926-L929 PolarHBondContact O-N 2.89Å; L929-M932 PolarHBondContact O-N 2.85Å; L929-L933 WeakPolarHBondContact O-CB 3.39Å; L929-L933 PolarHBondContact O-N 2.74Å
930	V	86	Confident	77.7	Confident	18 Å²	18	89.1 Å²	89.1	11%	0.109	47%	0.469	C	S	.	.	H	α-helix	trans	-59.7	-46	173.5	162.3	0	0	0	0	111.3	T926 D927 M932 L933 R934 A957 L960	T926-V930 WeakPolarHBondContact O-CG2 3.28Å; T926-V930 PolarHBondContact O-N 3.46Å; D927-V930 PolarHBondContact O-N 2.75Å; V930-M932 PolarHBondContact O-N 2.9Å; V930-L933 PolarHBondContact O-N 3.37Å; V930-R934 WeakPolarHBondContact O-CG 3.45Å; V930-R934 PolarHBondContact O-N 3.49Å; V930-A957 HydrophobicContact CG2-CB 3.86Å; V930-L960 HydrophobicContact CG1-CD1 3.8Å
931	A	83.9	Confident	79.4	Confident	49 Å²	49	88.5 Å²	88.5	41%	0.405	45%	0.452	S	S	.	.	H	α-helix	trans	-62.9	-40.9	176.4	0	0	0	0	0	112.7	D927 S928 T935	D927-A931 PolarHBondContact O-N 2.84Å; S928-A931 PolarHBondContact O-N 3.23Å; A931-T935 PolarHBondContact O-N 3.35Å; A931-T935 VanDerWaalsContact O-N 3.15Å; A931-T935 PolarHBondContact O-OG1 3.42Å
932	M	85.1	Confident	80.8	Confident	110 Å²	110	83.3 Å²	83.3	54%	0.542	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-45.2	175.6	-171.1	-179.8	-66.9	0	0	111.6	S928 L929 V930 T935 M936	S928-M932 WeakPolarHBondContact O-CB 3.35Å; S928-M932 PolarHBondContact O-N 2.77Å; L929-M932 PolarHBondContact O-N 2.85Å; V930-M932 PolarHBondContact O-N 2.9Å; M932-T935 WeakPolarHBondContact O-CB 3.34Å; M932-T935 PolarHBondContact O-N 3.26Å; M932-T935 VanDerWaalsContact O-N 3.14Å; M932-M936 WeakPolarHBondContact O-CG 3.47Å; M932-M936 PolarHBondContact O-N 2.88Å
933	L	84.8	Confident	81.6	Confident	54 Å²	54	85.3 Å²	85.3	28%	0.283	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-43.2	-179	-171	60.4	0	0	0	112.3	L929 V930 T935 M936 L937 L960	L929-L933 WeakPolarHBondContact O-CB 3.39Å; L929-L933 PolarHBondContact O-N 2.74Å; V930-L933 PolarHBondContact O-N 3.37Å; L933-T935 VanDerWaalsContact C-N 3.26Å; L933-T935 PolarHBondContact O-N 3.45Å; L933-M936 PolarHBondContact O-N 3.48Å; L933-L937 HydrophobicContact CG-CD1 4.28Å; L933-L937 WeakPolarHBondContact O-CB 3.46Å; L933-L937 WeakPolarHBondContact O-CG 3.38Å; L933-L937 PolarHBondContact O-N 3.39Å; L933-L960 HydrophobicContact CD2-CB 4.22Å
934	R	87.9	Confident	81.9	Confident	70 Å²	70	80.1 Å²	80.1	26%	0.264	43%	0.43	S	S	.	.	H	α-helix	trans	-57.9	-39.6	171.9	-69.7	-174.3	-171.6	129.3	-1.4	111.9	V930 L937 R938 V952 N953 M955 L960	V930-R934 WeakPolarHBondContact O-CG 3.45Å; V930-R934 PolarHBondContact O-N 3.49Å; R934-L937 PolarHBondContact O-N 2.81Å; R934-R938 PolarHBondContact O-N 3.03Å; R934-V952 WeakPolarHBondContact CD-O 3.3Å; R934-V952 WeakPolarHBondContact CG-O 3.39Å; R934-N953 PolarHBondContact NE-O 2.88Å; R934-M955 PolarHBondContact NE-O 3.45Å; R934-M955 PolarHBondContact NH2-O 2.94Å; R934-L960 HydrophobicContact CG-CD1 3.68Å; R934-L960 HydrophobicContact CG-CD2 4.23Å
935	T	85.9	Confident	82.5	Confident	95 Å²	95	73.4 Å²	73.4	58%	0.583	40%	0.399	S	S	*	.	H	α-helix	trans	-64.2	-47.6	178.5	-58.5	0	0	0	0	111.5	A931 M932 L933 L937 R938 Y939	A931-T935 PolarHBondContact O-N 3.35Å; A931-T935 VanDerWaalsContact O-N 3.15Å; A931-T935 PolarHBondContact O-OG1 3.42Å; M932-T935 WeakPolarHBondContact O-CB 3.34Å; M932-T935 PolarHBondContact O-N 3.26Å; M932-T935 VanDerWaalsContact O-N 3.14Å; L933-T935 VanDerWaalsContact C-N 3.26Å; L933-T935 PolarHBondContact O-N 3.45Å; T935-L937 PolarHBondContact O-N 3.07Å; T935-R938 PolarHBondContact O-N 3.02Å; T935-Y939 PolarHBondContact O-N 2.92Å
936	M	85.3	Confident	83	Confident	92 Å²	92	76.6 Å²	76.6	45%	0.453	40%	0.401	S	S	.	.	H	α-helix	trans	-61.4	-43.7	176.1	-67.1	-178.5	68.8	0	0	111.8	M932 L933 R938 Y939 F940	M932-M936 WeakPolarHBondContact O-CG 3.47Å; M932-M936 PolarHBondContact O-N 2.88Å; L933-M936 PolarHBondContact O-N 3.48Å; M936-R938 PolarHBondContact O-N 3.27Å; M936-Y939 PolarHBondContact O-N 3.38Å; M936-Y939 VanDerWaalsContact O-N 3.1Å; M936-F940 WeakPolarHBondContact O-CD2 3.5Å; M936-F940 PolarHBondContact O-N 3.43Å; M936-F940 VanDerWaalsContact O-N 3.16Å
937	L	87.1	Confident	83.3	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-66.4	-22.3	177.8	-72.9	176.3	0	0	0	113.9	L933 R934 T935 V952 L960 F963 L965 Y968	L933-L937 HydrophobicContact CG-CD1 4.28Å; L933-L937 WeakPolarHBondContact O-CB 3.46Å; L933-L937 WeakPolarHBondContact O-CG 3.38Å; L933-L937 PolarHBondContact O-N 3.39Å; R934-L937 PolarHBondContact O-N 2.81Å; T935-L937 PolarHBondContact O-N 3.07Å; L937-V952 HydrophobicContact CB-CG1 3.68Å; L937-V952 HydrophobicContact CD1-CG1 4.29Å; L937-L960 HydrophobicContact CD1-CD2 3.86Å; L937-F963 HydrophobicContact CD1-CD1 3.92Å; L937-F963 HydrophobicContact CD1-CD2 4.03Å; L937-F963 HydrophobicContact CD1-CE1 4.04Å; L937-F963 HydrophobicContact CD1-CE2 4.15Å; L937-F963 HydrophobicContact CD1-CG 3.92Å; L937-F963 HydrophobicContact CD1-CZ 4.16Å; L937-F963 HydrophobicContact CD2-CD1 3.87Å; L937-F963 HydrophobicContact CD2-CE1 3.45Å; L937-F963 VanDerWaalsContact CD2-CE1 3.45Å; L937-F963 HydrophobicContact CD2-CZ 3.95Å; L937-F963 HydrophobicContact CG-CE1 4.38Å; L937-L965 HydrophobicContact CD2-CD2 3.77Å; L937-Y968 VanDerWaalsContact C-OH 3.26Å; L937-Y968 VanDerWaalsContact CA-OH 3.32Å; L937-Y968 WeakPolarHBondContact CA-OH 3.33Å; L937-Y968 HydrophobicContact CD2-CD1 4.11Å; L937-Y968 HydrophobicContact CD2-CD2 4.22Å; L937-Y968 HydrophobicContact CD2-CE1 3.83Å; L937-Y968 HydrophobicContact CD2-CE2 3.9Å; L937-Y968 HydrophobicContact CD2-CG 4.31Å; L937-Y968 PolarHBondContact O-OH 3.2Å
938	R	83.9	Confident	83.4	Confident	101 Å²	101	74 Å²	74	38%	0.381	39%	0.388	S	S	.	.	H	α-helix	trans	-82.4	-32.3	169	-78	178.7	61.9	112.4	8	113.3	R934 T935 M936 K949 N953	R934-R938 PolarHBondContact O-N 3.03Å; T935-R938 PolarHBondContact O-N 3.02Å; M936-R938 PolarHBondContact O-N 3.27Å; R938-K949 HydrophobicContact CG-CG 4.48Å; R938-K949 WeakPolarHBondContact O-CE 3.43Å; R938-K949 PolarHBondContact O-NZ 2.68Å; R938-N953 VanDerWaalsContact CD-OD1 3.27Å; R938-N953 WeakPolarHBondContact CD-OD1 3.46Å; R938-N953 VanDerWaalsContact NH1-CG 3.31Å; R938-N953 PolarHBondContact NH1-ND2 3.22Å; R938-N953 PolarHBondContact NH1-OD1 3.42Å
939	Y	81.8	Confident	83.4	Confident	187 Å²	187	74.3 Å²	74.3	73%	0.733	38%	0.38	S	S	*	.	H	α-helix	trans	-72.9	-49.4	-176.7	-165.9	-93.6	0	0	0	111.8	T935 M936 F941	T935-Y939 PolarHBondContact O-N 2.92Å; M936-Y939 PolarHBondContact O-N 3.38Å; M936-Y939 VanDerWaalsContact O-N 3.1Å; Y939-F941 VanDerWaalsContact C-N 3.31Å; Y939-F941 PolarHBondContact O-N 2.85Å
940	F	84.3	Confident	83.3	Confident	66 Å²	66	75 Å²	75	29%	0.289	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	23.8	-175.6	-60.3	-74.7	0	0	0	114.4	M936 P942 Y968 F969 Y972	M936-F940 WeakPolarHBondContact O-CD2 3.5Å; M936-F940 PolarHBondContact O-N 3.43Å; M936-F940 VanDerWaalsContact O-N 3.16Å; F940-P942 WeakPolarHBondContact O-CD 3.12Å; F940-Y968 HydrophobicContact CB-CE1 4.28Å; F940-Y968 PolarHBondContact O-OH 3.31Å; F940-F969 HydrophobicContact CB-CE1 4.41Å; F940-Y972 HydrophobicContact CB-CE2 4.37Å; F940-Y972 HydrophobicContact CD1-CE1 4.03Å; F940-Y972 AromaticContact CD1-CZ 3.86Å; F940-Y972 WeakPolarHBondContact O-CD2 3.43Å
941	F	83.6	Confident	83.1	Confident	39 Å²	39	77.9 Å²	77.9	17%	0.171	40%	0.399	C	S	.	.			trans	-66.9	119.8	-166.4	-169.8	-87	0	0	0	113.3	Y939 F945 I947 K949 Y968	Y939-F941 VanDerWaalsContact C-N 3.31Å; Y939-F941 PolarHBondContact O-N 2.85Å; F941-F945 HydrophobicContact CE1-CB 4.23Å; F941-F945 HydrophobicContact CE2-CB 4.3Å; F941-F945 HydrophobicContact CZ-CB 3.88Å; F941-I947 VanDerWaalsContact CE2-O 3.3Å; F941-I947 WeakPolarHBondContact CE2-O 3.39Å; F941-I947 WeakPolarHBondContact CZ-O 3.41Å; F941-K949 HydrophobicContact CB-CD 4.02Å; F941-K949 HydrophobicContact CB-CG 4.43Å; F941-K949 HydrophobicContact CD1-CB 4.09Å; F941-K949 HydrophobicContact CD1-CD 4.06Å; F941-K949 HydrophobicContact CD1-CG 4.32Å; F941-K949 HydrophobicContact CD2-CB 3.9Å; F941-K949 HydrophobicContact CD2-CD 4.34Å; F941-K949 HydrophobicContact CD2-CG 3.89Å; F941-K949 HydrophobicContact CE1-CB 3.94Å; F941-K949 VanDerWaalsContact CE2-CA 3.48Å; F941-K949 HydrophobicContact CE2-CB 3.75Å; F941-K949 HydrophobicContact CE2-CG 4.25Å; F941-K949 HydrophobicContact CG-CB 4.08Å; F941-K949 HydrophobicContact CG-CD 3.87Å; F941-K949 HydrophobicContact CG-CG 3.94Å; F941-K949 HydrophobicContact CZ-CB 3.77Å; F941-Y968 WeakPolarHBondContact CA-OH 3.31Å; F941-Y968 HydrophobicContact CD2-CE2 4.1Å; F941-Y968 PolarHBondContact N-OH 2.98Å
942	P	83.8	Confident	83.1	Confident	3 Å²	3	75.6 Å²	75.6	2%	0.019	38%	0.38	C	S	.	.			trans	-66.2	135.6	178.2	-14	24.6	0	0	0	112	F940 A944 F945 Y968 Q971	F940-P942 WeakPolarHBondContact O-CD 3.12Å; P942-A944 PolarHBondContact O-N 3.43Å; P942-F945 HydrophobicContact CB-CB 4.08Å; P942-F945 HydrophobicContact CG-CB 4.01Å; P942-F945 HydrophobicContact CG-CD2 4.15Å; P942-F945 HydrophobicContact CG-CG 4.28Å; P942-F945 PolarHBondContact O-N 3.36Å; P942-F945 VanDerWaalsContact O-N 3.15Å; P942-Y968 HydrophobicContact CG-CD2 4.09Å; P942-Y968 HydrophobicContact CG-CE2 4.27Å; P942-Y968 HydrophobicContact CG-CG 4.38Å; P942-Y968 WeakPolarHBondContact CG-O 3.49Å; P942-Q971 HydrophobicContact CB-CB 3.97Å; P942-Q971 HydrophobicContact CG-CB 4.1Å
943	P	76.1	Confident	82.7	Confident	135 Å²	135	73.5 Å²	73.5	88%	0.877	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-9.8	-174.9	-27.8	35.7	0	0	0	117.4
944	A	74.8	Confident	82.5	Confident	88 Å²	88	75.2 Å²	75.2	73%	0.727	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.7	25.3	-179.3	0	0	0	0	0	112.7	P942	P942-A944 PolarHBondContact O-N 3.43Å
945	F	84.8	Confident	82.3	Confident	14 Å²	14	73.1 Å²	73.1	6%	0.061	38%	0.381	C	S	.	.			trans	-67.3	145.1	-177.7	-162.7	-109.5	0	0	0	112.9	F941 P942 I947 F963 P964 E967 Y968	F941-F945 HydrophobicContact CE1-CB 4.23Å; F941-F945 HydrophobicContact CE2-CB 4.3Å; F941-F945 HydrophobicContact CZ-CB 3.88Å; P942-F945 HydrophobicContact CB-CB 4.08Å; P942-F945 HydrophobicContact CG-CB 4.01Å; P942-F945 HydrophobicContact CG-CD2 4.15Å; P942-F945 HydrophobicContact CG-CG 4.28Å; P942-F945 PolarHBondContact O-N 3.36Å; P942-F945 VanDerWaalsContact O-N 3.15Å; F945-I947 VanDerWaalsContact C-N 3.3Å; F945-I947 HydrophobicContact CD1-CB 4.07Å; F945-I947 HydrophobicContact CE1-CB 3.99Å; F945-I947 HydrophobicContact CE1-CD1 4.24Å; F945-I947 HydrophobicContact CE1-CG1 4.04Å; F945-I947 PolarHBondContact O-N 3.17Å; F945-F963 HydrophobicContact CD1-CZ 4.33Å; F945-F963 HydrophobicContact CE1-CE1 4.26Å; F945-F963 HydrophobicContact CE1-CE2 4.5Å; F945-F963 AromaticContact CE1-CZ 3.75Å; F945-F963 HydrophobicContact CE1-CZ 3.75Å; F945-P964 HydrophobicContact CE1-CG 4.29Å; F945-P964 HydrophobicContact CZ-CG 3.84Å; F945-E967 HydrophobicContact CE2-CG 4.43Å; F945-Y968 AromaticContact CD1-CD2 3.93Å; F945-Y968 HydrophobicContact CD1-CD2 3.93Å; F945-Y968 HydrophobicContact CD2-CD2 4.26Å; F945-Y968 HydrophobicContact CE1-CD2 4.09Å; F945-Y968 VanDerWaalsContact CE2-CA 3.4Å; F945-Y968 HydrophobicContact CE2-CD2 4.45Å; F945-Y968 HydrophobicContact CG-CD2 4.04Å; F945-Y968 HydrophobicContact CZ-CD2 4.36Å
946	R	82.8	Confident	82.3	Confident	152 Å²	152	71.5 Å²	71.5	57%	0.574	37%	0.371	S	S	*	.	S	Bend	trans	-70.5	-19.5	-170.4	79.2	-174.7	-170.8	-159.1	1.7	115.3	E967	R946-E967 IonicContact CZ-OE1 3.53Å; R946-E967 IonicContact CZ-OE2 3.48Å; R946-E967 IonicContact NE-OE1 3.84Å; R946-E967 IonicContact NH1-OE1 2.74Å; R946-E967 PolarHBondContact NH1-OE1 3.28Å; R946-E967 IonicContact NH1-OE2 2.64Å; R946-E967 PolarHBondContact NH1-OE2 3.04Å; R946-E967 IonicContact NH2-OE2 3.87Å
947	I	83.7	Confident	82	Confident	35 Å²	35	68.6 Å²	68.6	18%	0.179	36%	0.362	C	S	.	.	S	Bend	trans	-104.4	116.5	173	-58.8	176	0	0	0	106.5	F941 F945 D951 V952 M955 F963 P964	F941-I947 VanDerWaalsContact CE2-O 3.3Å; F941-I947 WeakPolarHBondContact CE2-O 3.39Å; F941-I947 WeakPolarHBondContact CZ-O 3.41Å; F945-I947 VanDerWaalsContact C-N 3.3Å; F945-I947 HydrophobicContact CD1-CB 4.07Å; F945-I947 HydrophobicContact CE1-CB 3.99Å; F945-I947 HydrophobicContact CE1-CD1 4.24Å; F945-I947 HydrophobicContact CE1-CG1 4.04Å; F945-I947 PolarHBondContact O-N 3.17Å; I947-D951 HydrophobicContact CG2-CB 4.25Å; I947-V952 HydrophobicContact CG2-CG2 4.37Å; I947-M955 HydrophobicContact CG2-SD 4.46Å; I947-F963 HydrophobicContact CB-CE2 4.46Å; I947-F963 HydrophobicContact CD1-CD2 4.06Å; I947-F963 HydrophobicContact CD1-CE2 3.72Å; I947-F963 HydrophobicContact CD1-CZ 4.41Å; I947-F963 HydrophobicContact CG2-CE2 4.44Å; I947-P964 HydrophobicContact CD1-CG 4.16Å
948	P	82.7	Confident	81.8	Confident	67 Å²	67	74.6 Å²	74.6	44%	0.435	39%	0.39	S	S	.	.			trans	-52.3	147.8	177.1	-29	34.8	0	0	0	114.2	D950 D951	P948-D950 PolarHBondContact O-N 2.92Å; P948-D951 WeakPolarHBondContact CB-OD2 3.49Å; P948-D951 VanDerWaalsContact CD-OD2 3.22Å; P948-D951 WeakPolarHBondContact CD-OD2 3.42Å; P948-D951 VanDerWaalsContact CG-OD2 3.26Å; P948-D951 WeakPolarHBondContact CG-OD2 3.46Å; P948-D951 PolarHBondContact O-N 3.48Å
949	K	81.3	Confident	81.7	Confident	80 Å²	80	74.4 Å²	74.4	35%	0.348	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.2	-177.5	-170	169.1	-174.2	161.6	0	113.6	R938 F941 N953	R938-K949 HydrophobicContact CG-CG 4.48Å; R938-K949 WeakPolarHBondContact O-CE 3.43Å; R938-K949 PolarHBondContact O-NZ 2.68Å; F941-K949 HydrophobicContact CB-CD 4.02Å; F941-K949 HydrophobicContact CB-CG 4.43Å; F941-K949 HydrophobicContact CD1-CB 4.09Å; F941-K949 HydrophobicContact CD1-CD 4.06Å; F941-K949 HydrophobicContact CD1-CG 4.32Å; F941-K949 HydrophobicContact CD2-CB 3.9Å; F941-K949 HydrophobicContact CD2-CD 4.34Å; F941-K949 HydrophobicContact CD2-CG 3.89Å; F941-K949 HydrophobicContact CE1-CB 3.94Å; F941-K949 VanDerWaalsContact CE2-CA 3.48Å; F941-K949 HydrophobicContact CE2-CB 3.75Å; F941-K949 HydrophobicContact CE2-CG 4.25Å; F941-K949 HydrophobicContact CG-CB 4.08Å; F941-K949 HydrophobicContact CG-CD 3.87Å; F941-K949 HydrophobicContact CG-CG 3.94Å; F941-K949 HydrophobicContact CZ-CB 3.77Å; K949-N953 PolarHBondContact O-ND2 3.12Å
950	D	80.8	Confident	81.8	Confident	118 Å²	118	65.7 Å²	65.7	63%	0.631	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-31.3	-179.2	-60.5	-50.6	0	0	0	112.2	P948 V952 N953	P948-D950 PolarHBondContact O-N 2.92Å; D950-V952 VanDerWaalsContact C-N 3.3Å; D950-V952 PolarHBondContact O-N 3.24Å; D950-N953 WeakPolarHBondContact CA-ND2 3.4Å; D950-N953 WeakPolarHBondContact O-CB 3.45Å; D950-N953 PolarHBondContact O-N 3.1Å; D950-N953 PolarHBondContact O-ND2 3.11Å
951	D	81.8	Confident	81.6	Confident	79 Å²	79	70 Å²	70	42%	0.422	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-68.1	-30.1	177.1	-60.6	-23.4	0	0	0	111.9	I947 P948 N953 S954 M955	I947-D951 HydrophobicContact CG2-CB 4.25Å; P948-D951 WeakPolarHBondContact CB-OD2 3.49Å; P948-D951 VanDerWaalsContact CD-OD2 3.22Å; P948-D951 WeakPolarHBondContact CD-OD2 3.42Å; P948-D951 VanDerWaalsContact CG-OD2 3.26Å; P948-D951 WeakPolarHBondContact CG-OD2 3.46Å; P948-D951 PolarHBondContact O-N 3.48Å; D951-N953 PolarHBondContact O-N 3.3Å; D951-S954 PolarHBondContact O-N 3.29Å; D951-S954 PolarHBondContact O-OG 3.5Å; D951-M955 WeakPolarHBondContact O-CG 3.12Å; D951-M955 PolarHBondContact O-N 3.03Å
952	V	82.3	Confident	81.6	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-55.9	-21	174.9	177.9	0	0	0	0	112.9	R934 L937 I947 D950 F963	R934-V952 WeakPolarHBondContact CD-O 3.3Å; R934-V952 WeakPolarHBondContact CG-O 3.39Å; L937-V952 HydrophobicContact CB-CG1 3.68Å; L937-V952 HydrophobicContact CD1-CG1 4.29Å; I947-V952 HydrophobicContact CG2-CG2 4.37Å; D950-V952 VanDerWaalsContact C-N 3.3Å; D950-V952 PolarHBondContact O-N 3.24Å; V952-F963 HydrophobicContact CG2-CE2 4.22Å
953	N	77.6	Confident	81.8	Confident	66 Å²	66	72.2 Å²	72.2	35%	0.353	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-78.1	-31.1	178	-55.5	-82.2	0	0	0	113.1	R934 R938 K949 D950 D951	R934-N953 PolarHBondContact NE-O 2.88Å; R938-N953 VanDerWaalsContact CD-OD1 3.27Å; R938-N953 WeakPolarHBondContact CD-OD1 3.46Å; R938-N953 VanDerWaalsContact NH1-CG 3.31Å; R938-N953 PolarHBondContact NH1-ND2 3.22Å; R938-N953 PolarHBondContact NH1-OD1 3.42Å; K949-N953 PolarHBondContact O-ND2 3.12Å; D950-N953 WeakPolarHBondContact CA-ND2 3.4Å; D950-N953 WeakPolarHBondContact O-CB 3.45Å; D950-N953 PolarHBondContact O-N 3.1Å; D950-N953 PolarHBondContact O-ND2 3.11Å; D951-N953 PolarHBondContact O-N 3.3Å
954	S	80.8	Confident	82.3	Confident	91 Å²	91	67.1 Å²	67.1	64%	0.636	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-18.1	-175.2	44.6	0	0	0	0	114.1	D951 T956	D951-S954 PolarHBondContact O-N 3.29Å; D951-S954 PolarHBondContact O-OG 3.5Å; S954-T956 PolarHBondContact O-N 3.18Å
955	M	83.8	Confident	82.8	Confident	25 Å²	25	66 Å²	66	12%	0.123	36%	0.355	C	S	.	.			trans	-54.1	134.5	-179.5	-65.1	-177.5	75.5	0	0	113	R934 I947 D951 E959 L960 F963	R934-M955 PolarHBondContact NE-O 3.45Å; R934-M955 PolarHBondContact NH2-O 2.94Å; I947-M955 HydrophobicContact CG2-SD 4.46Å; D951-M955 WeakPolarHBondContact O-CG 3.12Å; D951-M955 PolarHBondContact O-N 3.03Å; M955-E959 VanDerWaalsContact CA-OE2 3.27Å; M955-E959 WeakPolarHBondContact CA-OE2 3.42Å; M955-E959 HydrophobicContact CB-CB 4.07Å; M955-E959 HydrophobicContact CE-CB 3.76Å; M955-E959 WeakPolarHBondContact CE-O 3.35Å; M955-L960 HydrophobicContact CB-CD2 4.27Å; M955-L960 HydrophobicContact CB-CG 3.97Å; M955-F963 HydrophobicContact CE-CD2 3.87Å; M955-F963 HydrophobicContact SD-CD2 3.83Å; M955-F963 HydrophobicContact SD-CE2 4.14Å
956	T	85.2	Confident	82.8	Confident	61 Å²	61	73.1 Å²	73.1	37%	0.374	39%	0.386	S	S	.	.			trans	-70.1	175.7	176.7	79.9	0	0	0	0	112.7	S954 E958 E959 L960	S954-T956 PolarHBondContact O-N 3.18Å; T956-E958 VanDerWaalsContact C-N 3.35Å; T956-E958 WeakPolarHBondContact CB-OE2 3.4Å; T956-E958 PolarHBondContact OG1-N 3.25Å; T956-E958 PolarHBondContact OG1-OE2 2.75Å; T956-E959 PolarHBondContact N-OE2 2.97Å; T956-E959 PolarHBondContact O-N 3.09Å; T956-E959 PolarHBondContact OG1-N 3.1Å; T956-L960 WeakPolarHBondContact O-CB 3.39Å; T956-L960 WeakPolarHBondContact O-CD1 3.36Å; T956-L960 WeakPolarHBondContact O-CG 3.36Å; T956-L960 PolarHBondContact O-N 2.7Å
957	A	80.4	Confident	82.9	Confident	32 Å²	32	69.1 Å²	69.1	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-42	175.2	0	0	0	0	0	111.9	V930 L960 M961	V930-A957 HydrophobicContact CG2-CB 3.86Å; A957-L960 PolarHBondContact O-N 3.05Å; A957-M961 WeakPolarHBondContact O-CG 3.41Å; A957-M961 PolarHBondContact O-N 3.34Å
958	E	81.4	Confident	83	Confident	128 Å²	128	67.5 Å²	67.5	60%	0.598	37%	0.365	S	S	*	.	H	α-helix	trans	-65.8	-43.2	176.7	-56.2	81.8	180	0	0	111.8	T956 L960 M961 A962	T956-E958 VanDerWaalsContact C-N 3.35Å; T956-E958 WeakPolarHBondContact CB-OE2 3.4Å; T956-E958 PolarHBondContact OG1-N 3.25Å; T956-E958 PolarHBondContact OG1-OE2 2.75Å; E958-L960 VanDerWaalsContact C-N 3.31Å; E958-L960 PolarHBondContact O-N 3.33Å; E958-M961 PolarHBondContact O-N 3.45Å; E958-A962 PolarHBondContact O-N 2.93Å
959	E	82.4	Confident	83.1	Confident	97 Å²	97	68.4 Å²	68.4	45%	0.453	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-34.6	177.8	-66.5	178.6	136	0	0	112.1	M955 T956 A962 F963	M955-E959 VanDerWaalsContact CA-OE2 3.27Å; M955-E959 WeakPolarHBondContact CA-OE2 3.42Å; M955-E959 HydrophobicContact CB-CB 4.07Å; M955-E959 HydrophobicContact CE-CB 3.76Å; M955-E959 WeakPolarHBondContact CE-O 3.35Å; T956-E959 PolarHBondContact N-OE2 2.97Å; T956-E959 PolarHBondContact O-N 3.09Å; T956-E959 PolarHBondContact OG1-N 3.1Å; E959-A962 CarbonylContact O-C 3.43Å; E959-A962 PolarHBondContact O-N 2.94Å; E959-F963 PolarHBondContact O-N 3.17Å; E959-F963 VanDerWaalsContact O-N 3.08Å
960	L	83.6	Confident	83.3	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.016	37%	0.37	C	S	.	.	H	α-helix	trans	-71.6	-34.7	173.8	-76.5	165	0	0	0	112.9	V930 L933 R934 L937 M955 T956 A957 E958 A962 F963	V930-L960 HydrophobicContact CG1-CD1 3.8Å; L933-L960 HydrophobicContact CD2-CB 4.22Å; R934-L960 HydrophobicContact CG-CD1 3.68Å; R934-L960 HydrophobicContact CG-CD2 4.23Å; L937-L960 HydrophobicContact CD1-CD2 3.86Å; M955-L960 HydrophobicContact CB-CD2 4.27Å; M955-L960 HydrophobicContact CB-CG 3.97Å; T956-L960 WeakPolarHBondContact O-CB 3.39Å; T956-L960 WeakPolarHBondContact O-CD1 3.36Å; T956-L960 WeakPolarHBondContact O-CG 3.36Å; T956-L960 PolarHBondContact O-N 2.7Å; A957-L960 PolarHBondContact O-N 3.05Å; E958-L960 VanDerWaalsContact C-N 3.31Å; E958-L960 PolarHBondContact O-N 3.33Å; L960-A962 VanDerWaalsContact C-N 3.28Å; L960-F963 WeakPolarHBondContact O-CB 3.45Å; L960-F963 PolarHBondContact O-N 3.27Å; L960-F963 VanDerWaalsContact O-N 3.17Å
961	M	81.3	Confident	83.5	Confident	156 Å²	156	67.3 Å²	67.3	77%	0.768	36%	0.355	S	S	*	.	H	α-helix	trans	-65.5	-32.7	168.8	-72.1	-168.6	-65.4	0	0	112.1	A957 E958 F963	A957-M961 WeakPolarHBondContact O-CG 3.41Å; A957-M961 PolarHBondContact O-N 3.34Å; E958-M961 PolarHBondContact O-N 3.45Å; M961-F963 VanDerWaalsContact C-N 3.27Å; M961-F963 PolarHBondContact O-N 3.01Å
962	A	83.3	Confident	83.6	Confident	78 Å²	78	67 Å²	67	65%	0.645	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	0.3	173.2	0	0	0	0	0	113.9	E958 E959 L960	E958-A962 PolarHBondContact O-N 2.93Å; E959-A962 CarbonylContact O-C 3.43Å; E959-A962 PolarHBondContact O-N 2.94Å; L960-A962 VanDerWaalsContact C-N 3.28Å
963	F	86.8	Confident	83.7	Confident	11 Å²	11	72.9 Å²	72.9	5%	0.048	38%	0.376	C	S	.	.			trans	-65	133.4	-175.7	-168.1	-87	0	0	0	111.1	L937 F945 I947 V952 M955 E959 L960 M961 L965 Y968	L937-F963 HydrophobicContact CD1-CD1 3.92Å; L937-F963 HydrophobicContact CD1-CD2 4.03Å; L937-F963 HydrophobicContact CD1-CE1 4.04Å; L937-F963 HydrophobicContact CD1-CE2 4.15Å; L937-F963 HydrophobicContact CD1-CG 3.92Å; L937-F963 HydrophobicContact CD1-CZ 4.16Å; L937-F963 HydrophobicContact CD2-CD1 3.87Å; L937-F963 HydrophobicContact CD2-CE1 3.45Å; L937-F963 VanDerWaalsContact CD2-CE1 3.45Å; L937-F963 HydrophobicContact CD2-CZ 3.95Å; L937-F963 HydrophobicContact CG-CE1 4.38Å; F945-F963 HydrophobicContact CD1-CZ 4.33Å; F945-F963 HydrophobicContact CE1-CE1 4.26Å; F945-F963 HydrophobicContact CE1-CE2 4.5Å; F945-F963 AromaticContact CE1-CZ 3.75Å; F945-F963 HydrophobicContact CE1-CZ 3.75Å; I947-F963 HydrophobicContact CB-CE2 4.46Å; I947-F963 HydrophobicContact CD1-CD2 4.06Å; I947-F963 HydrophobicContact CD1-CE2 3.72Å; I947-F963 HydrophobicContact CD1-CZ 4.41Å; I947-F963 HydrophobicContact CG2-CE2 4.44Å; V952-F963 HydrophobicContact CG2-CE2 4.22Å; M955-F963 HydrophobicContact CE-CD2 3.87Å; M955-F963 HydrophobicContact SD-CD2 3.83Å; M955-F963 HydrophobicContact SD-CE2 4.14Å; E959-F963 PolarHBondContact O-N 3.17Å; E959-F963 VanDerWaalsContact O-N 3.08Å; L960-F963 WeakPolarHBondContact O-CB 3.45Å; L960-F963 PolarHBondContact O-N 3.27Å; L960-F963 VanDerWaalsContact O-N 3.17Å; M961-F963 VanDerWaalsContact C-N 3.27Å; M961-F963 PolarHBondContact O-N 3.01Å; F963-L965 HydrophobicContact CD1-CD2 3.96Å; F963-L965 HydrophobicContact CD1-CG 4.06Å; F963-L965 PolarHBondContact O-N 3.29Å; F963-Y968 AromaticContact CE1-CD2 3.71Å; F963-Y968 HydrophobicContact CE1-CD2 3.71Å; F963-Y968 HydrophobicContact CE1-CE2 4.38Å; F963-Y968 AromaticContact CE1-CG 3.88Å; F963-Y968 HydrophobicContact CE1-CG 3.88Å; F963-Y968 AromaticContact CZ-CD2 3.83Å; F963-Y968 HydrophobicContact CZ-CD2 3.83Å; F963-Y968 HydrophobicContact CZ-CE2 4.32Å; F963-Y968 HydrophobicContact CZ-CG 4.46Å
964	P	87.7	Confident	84.1	Confident	28 Å²	28	73.3 Å²	73.3	18%	0.182	38%	0.384	C	S	.	.			trans	-75	57.3	-176.5	33.2	-40.7	0	0	0	113.5	F945 I947 K966 E967 Y968	F945-P964 HydrophobicContact CE1-CG 4.29Å; F945-P964 HydrophobicContact CZ-CG 3.84Å; I947-P964 HydrophobicContact CD1-CG 4.16Å; P964-K966 PolarHBondContact O-N 3.31Å; P964-K966 VanDerWaalsContact O-N 3.11Å; P964-E967 HydrophobicContact CB-CB 4.38Å; P964-E967 PolarHBondContact O-N 3.07Å; P964-Y968 PolarHBondContact O-N 3.48Å
965	L	84.9	Confident	84.1	Confident	64 Å²	64	70.7 Å²	70.7	34%	0.335	37%	0.372	S	S	.	.	H	α-helix	trans	-48.6	-41.4	-176.4	-72.4	166.9	0	0	0	113.2	L937 F963 E967 Y968 F969	L937-L965 HydrophobicContact CD2-CD2 3.77Å; F963-L965 HydrophobicContact CD1-CD2 3.96Å; F963-L965 HydrophobicContact CD1-CG 4.06Å; F963-L965 PolarHBondContact O-N 3.29Å; L965-E967 PolarHBondContact O-N 3.31Å; L965-Y968 PolarHBondContact O-N 3.46Å; L965-F969 HydrophobicContact CD2-CE2 4.09Å; L965-F969 WeakPolarHBondContact O-CD2 3.31Å; L965-F969 PolarHBondContact O-N 2.86Å
966	K	83.6	Confident	84	Confident	165 Å²	165	73.2 Å²	73.2	72%	0.717	39%	0.385	S	S	*	.	H	α-helix	trans	-62.2	-42.5	-180	-175.4	174.4	-178.5	179.1	0	112.8	P964 Q970	P964-K966 PolarHBondContact O-N 3.31Å; P964-K966 VanDerWaalsContact O-N 3.11Å; K966-Q970 WeakPolarHBondContact O-CB 3.4Å; K966-Q970 WeakPolarHBondContact O-CG 3.34Å; K966-Q970 PolarHBondContact O-N 3Å; K966-Q970 VanDerWaalsContact O-N 3.13Å
967	E	84.9	Confident	83.9	Confident	68 Å²	68	76 Å²	76	32%	0.318	39%	0.394	S	S	.	.	H	α-helix	trans	-75.3	-38	179.4	-169.9	-179.9	139.3	0	0	111.2	F945 R946 P964 L965 Q970 Q971	F945-E967 HydrophobicContact CE2-CG 4.43Å; R946-E967 IonicContact CZ-OE1 3.53Å; R946-E967 IonicContact CZ-OE2 3.48Å; R946-E967 IonicContact NE-OE1 3.84Å; R946-E967 IonicContact NH1-OE1 2.74Å; R946-E967 PolarHBondContact NH1-OE1 3.28Å; R946-E967 IonicContact NH1-OE2 2.64Å; R946-E967 PolarHBondContact NH1-OE2 3.04Å; R946-E967 IonicContact NH2-OE2 3.87Å; P964-E967 HydrophobicContact CB-CB 4.38Å; P964-E967 PolarHBondContact O-N 3.07Å; L965-E967 PolarHBondContact O-N 3.31Å; E967-Q970 PolarHBondContact O-N 3.44Å; E967-Q971 WeakPolarHBondContact O-CG 3.22Å; E967-Q971 PolarHBondContact O-N 2.78Å
968	Y	87.4	Confident	84	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-57.5	-52.7	173.6	172.9	-84.6	0	0	0	111.9	L937 F940 F941 P942 F945 F963 P964 L965 Q970 Q971 Y972	L937-Y968 VanDerWaalsContact C-OH 3.26Å; L937-Y968 VanDerWaalsContact CA-OH 3.32Å; L937-Y968 WeakPolarHBondContact CA-OH 3.33Å; L937-Y968 HydrophobicContact CD2-CD1 4.11Å; L937-Y968 HydrophobicContact CD2-CD2 4.22Å; L937-Y968 HydrophobicContact CD2-CE1 3.83Å; L937-Y968 HydrophobicContact CD2-CE2 3.9Å; L937-Y968 HydrophobicContact CD2-CG 4.31Å; L937-Y968 PolarHBondContact O-OH 3.2Å; F940-Y968 HydrophobicContact CB-CE1 4.28Å; F940-Y968 PolarHBondContact O-OH 3.31Å; F941-Y968 WeakPolarHBondContact CA-OH 3.31Å; F941-Y968 HydrophobicContact CD2-CE2 4.1Å; F941-Y968 PolarHBondContact N-OH 2.98Å; P942-Y968 HydrophobicContact CG-CD2 4.09Å; P942-Y968 HydrophobicContact CG-CE2 4.27Å; P942-Y968 HydrophobicContact CG-CG 4.38Å; P942-Y968 WeakPolarHBondContact CG-O 3.49Å; F945-Y968 AromaticContact CD1-CD2 3.93Å; F945-Y968 HydrophobicContact CD1-CD2 3.93Å; F945-Y968 HydrophobicContact CD2-CD2 4.26Å; F945-Y968 HydrophobicContact CE1-CD2 4.09Å; F945-Y968 VanDerWaalsContact CE2-CA 3.4Å; F945-Y968 HydrophobicContact CE2-CD2 4.45Å; F945-Y968 HydrophobicContact CG-CD2 4.04Å; F945-Y968 HydrophobicContact CZ-CD2 4.36Å; F963-Y968 AromaticContact CE1-CD2 3.71Å; F963-Y968 HydrophobicContact CE1-CD2 3.71Å; F963-Y968 HydrophobicContact CE1-CE2 4.38Å; F963-Y968 AromaticContact CE1-CG 3.88Å; F963-Y968 HydrophobicContact CE1-CG 3.88Å; F963-Y968 AromaticContact CZ-CD2 3.83Å; F963-Y968 HydrophobicContact CZ-CD2 3.83Å; F963-Y968 HydrophobicContact CZ-CE2 4.32Å; F963-Y968 HydrophobicContact CZ-CG 4.46Å; P964-Y968 PolarHBondContact O-N 3.48Å; L965-Y968 PolarHBondContact O-N 3.46Å; Y968-Q970 PolarHBondContact O-N 3.16Å; Y968-Q971 PolarHBondContact O-N 3.44Å; Y968-Y972 PolarHBondContact O-N 2.8Å
969	F	85.1	Confident	84	Confident	86 Å²	86	76.2 Å²	76.2	38%	0.377	40%	0.401	S	S	.	.	H	α-helix	trans	-69.2	-32.7	178.6	-74	-61	0	0	0	112.7	F940 L965 Q971 Y972 E973	F940-F969 HydrophobicContact CB-CE1 4.41Å; L965-F969 HydrophobicContact CD2-CE2 4.09Å; L965-F969 WeakPolarHBondContact O-CD2 3.31Å; L965-F969 PolarHBondContact O-N 2.86Å; F969-Q971 PolarHBondContact O-N 3.36Å; F969-Y972 PolarHBondContact O-N 2.97Å; F969-E973 VanDerWaalsContact O-CB 3.31Å; F969-E973 WeakPolarHBondContact O-CB 3.17Å; F969-E973 PolarHBondContact O-N 2.98Å
970	Q	84.8	Confident	83.9	Confident	110 Å²	110	75.4 Å²	75.4	51%	0.514	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-39	172.2	-79.4	175.6	-23.4	0	0	112.7	K966 E967 Y968 S974	K966-Q970 WeakPolarHBondContact O-CB 3.4Å; K966-Q970 WeakPolarHBondContact O-CG 3.34Å; K966-Q970 PolarHBondContact O-N 3Å; K966-Q970 VanDerWaalsContact O-N 3.13Å; E967-Q970 PolarHBondContact O-N 3.44Å; Y968-Q970 PolarHBondContact O-N 3.16Å; Q970-S974 VanDerWaalsContact O-CB 3.27Å; Q970-S974 WeakPolarHBondContact O-CB 3.36Å; Q970-S974 PolarHBondContact O-N 3.31Å
971	Q	84.4	Confident	83.9	Confident	66 Å²	66	79.8 Å²	79.8	31%	0.308	43%	0.428	S	S	.	.	H	α-helix	trans	-70.2	-37.4	174	-70.3	-171.3	21	0	0	112.3	P942 E967 Y968 F969 G975	P942-Q971 HydrophobicContact CB-CB 3.97Å; P942-Q971 HydrophobicContact CG-CB 4.1Å; E967-Q971 WeakPolarHBondContact O-CG 3.22Å; E967-Q971 PolarHBondContact O-N 2.78Å; Y968-Q971 PolarHBondContact O-N 3.44Å; F969-Q971 PolarHBondContact O-N 3.36Å; Q971-G975 PolarHBondContact O-N 3.31Å
972	Y	84.3	Confident	84	Confident	73 Å²	73	74.7 Å²	74.7	29%	0.286	41%	0.408	S	S	.	.	H	α-helix	trans	-62.4	-48.7	173.8	-173.8	-108.3	0	0	0	112	F940 Y968 F969 S974 G975 L976	F940-Y972 HydrophobicContact CB-CE2 4.37Å; F940-Y972 HydrophobicContact CD1-CE1 4.03Å; F940-Y972 AromaticContact CD1-CZ 3.86Å; F940-Y972 WeakPolarHBondContact O-CD2 3.43Å; Y968-Y972 PolarHBondContact O-N 2.8Å; F969-Y972 PolarHBondContact O-N 2.97Å; Y972-S974 PolarHBondContact O-N 2.73Å; Y972-G975 PolarHBondContact O-N 2.71Å; Y972-L976 HydrophobicContact CD1-CD1 3.91Å; Y972-L976 HydrophobicContact CE1-CD1 3.4Å; Y972-L976 HydrophobicContact CE1-CG 4.16Å; Y972-L976 PolarHBondContact O-N 2.73Å
973	E	84.9	Confident	83.9	Confident	122 Å²	122	77.5 Å²	77.5	57%	0.57	40%	0.403	S	S	*	.	H	α-helix	trans	-60.9	-43.9	176.7	-176.4	178.1	-160.8	0	0	111.5	F969 G975 L976 Q977	F969-E973 VanDerWaalsContact O-CB 3.31Å; F969-E973 WeakPolarHBondContact O-CB 3.17Å; F969-E973 PolarHBondContact O-N 2.98Å; E973-G975 VanDerWaalsContact C-N 3.33Å; E973-G975 PolarHBondContact O-N 3.29Å; E973-L976 PolarHBondContact O-N 3.21Å; E973-Q977 VanDerWaalsContact O-CB 3.3Å; E973-Q977 WeakPolarHBondContact O-CB 3.47Å; E973-Q977 PolarHBondContact O-N 2.95Å
974	S	84.3	Confident	83.7	Confident	75 Å²	75	82.2 Å²	82.2	52%	0.524	43%	0.425	S	S	.	.	H	α-helix	trans	-61.2	-40.6	175.4	-171.8	0	0	0	0	112.2	Q970 Y972 Q977 S978	Q970-S974 VanDerWaalsContact O-CB 3.27Å; Q970-S974 WeakPolarHBondContact O-CB 3.36Å; Q970-S974 PolarHBondContact O-N 3.31Å; Y972-S974 PolarHBondContact O-N 2.73Å; S974-Q977 PolarHBondContact O-N 3.48Å; S974-S978 WeakPolarHBondContact O-CB 3.29Å; S974-S978 PolarHBondContact O-N 2.95Å
975	G	82.5	Confident	83.4	Confident	37 Å²	37	84.5 Å²	84.5	38%	0.381	44%	0.441	S	S	.	.	H	α-helix	trans	-62.3	-48.4	173.9	0	0	0	0	0	112.8	Q971 Y972 E973 S978 L979	Q971-G975 PolarHBondContact O-N 3.31Å; Y972-G975 PolarHBondContact O-N 2.71Å; E973-G975 VanDerWaalsContact C-N 3.33Å; E973-G975 PolarHBondContact O-N 3.29Å; G975-S978 PolarHBondContact O-N 3.47Å; G975-L979 WeakPolarHBondContact O-CB 3.46Å; G975-L979 PolarHBondContact O-N 3.26Å
976	L	81.9	Confident	83.5	Confident	78 Å²	78	88.6 Å²	88.6	41%	0.408	45%	0.452	S	S	.	.	H	α-helix	trans	-61.1	-45	175.2	-76.5	178.3	0	0	0	112.1	Y972 E973 S978 L979 C980	Y972-L976 HydrophobicContact CD1-CD1 3.91Å; Y972-L976 HydrophobicContact CE1-CD1 3.4Å; Y972-L976 HydrophobicContact CE1-CG 4.16Å; Y972-L976 PolarHBondContact O-N 2.73Å; E973-L976 PolarHBondContact O-N 3.21Å; L976-S978 VanDerWaalsContact C-N 3.35Å; L976-S978 PolarHBondContact O-N 3.39Å; L976-L979 WeakPolarHBondContact O-CB 3.49Å; L976-L979 PolarHBondContact O-N 3.26Å; L976-C980 WeakPolarHBondContact O-CB 3.27Å; L976-C980 PolarHBondContact O-N 2.89Å; L976-C980 PolarHBondContact O-SG 3.49Å; L976-C980 VanDerWaalsContact O-SG 3.37Å
977	Q	82.4	Confident	83	Confident	120 Å²	120	83.1 Å²	83.1	56%	0.561	44%	0.438	S	S	*	.	H	α-helix	trans	-65.9	-38.4	-179.2	-168.8	171	68.1	0	0	111.5	E973 S974 N981	E973-Q977 VanDerWaalsContact O-CB 3.3Å; E973-Q977 WeakPolarHBondContact O-CB 3.47Å; E973-Q977 PolarHBondContact O-N 2.95Å; S974-Q977 PolarHBondContact O-N 3.48Å; Q977-N981 VanDerWaalsContact O-CB 3.3Å; Q977-N981 WeakPolarHBondContact O-CB 3.41Å; Q977-N981 PolarHBondContact O-N 3.25Å; Q977-N981 PolarHBondContact O-ND2 3.45Å
978	S	81.9	Confident	82.8	Confident	80 Å²	80	83.8 Å²	83.8	56%	0.559	44%	0.444	S	S	*	.	H	α-helix	trans	-62.2	-44	171.4	-166.8	0	0	0	0	112	S974 G975 L976 N981 S982	S974-S978 WeakPolarHBondContact O-CB 3.29Å; S974-S978 PolarHBondContact O-N 2.95Å; G975-S978 PolarHBondContact O-N 3.47Å; L976-S978 VanDerWaalsContact C-N 3.35Å; L976-S978 PolarHBondContact O-N 3.39Å; S978-N981 PolarHBondContact O-N 2.95Å; S978-S982 PolarHBondContact O-N 3.2Å
979	L	81.1	Confident	82.6	Confident	84 Å²	84	86.7 Å²	86.7	44%	0.44	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-48.5	176.5	-177.8	61.8	0	0	0	111.8	G975 L976 N981 S982 Y983	G975-L979 WeakPolarHBondContact O-CB 3.46Å; G975-L979 PolarHBondContact O-N 3.26Å; L976-L979 WeakPolarHBondContact O-CB 3.49Å; L976-L979 PolarHBondContact O-N 3.26Å; L979-N981 PolarHBondContact O-N 3.49Å; L979-S982 WeakPolarHBondContact O-CB 3.25Å; L979-S982 PolarHBondContact O-N 3.37Å; L979-S982 VanDerWaalsContact O-N 3.12Å; L979-S982 PolarHBondContact O-OG 2.95Å; L979-Y983 HydrophobicContact CD1-CD2 4.13Å; L979-Y983 HydrophobicContact CD1-CE2 3.55Å; L979-Y983 HydrophobicContact CD2-CE2 4.31Å; L979-Y983 HydrophobicContact CG-CD2 4.06Å; L979-Y983 HydrophobicContact CG-CE2 3.69Å; L979-Y983 VanDerWaalsContact O-CD2 3.26Å; L979-Y983 WeakPolarHBondContact O-CD2 3.46Å; L979-Y983 PolarHBondContact O-N 3.46Å
980	C	80.9	Confident	82.5	Confident	79 Å²	79	91.3 Å²	91.3	53%	0.534	48%	0.483	S	S	.	.	H	α-helix	trans	-59.3	-44.8	174.9	-71	0	0	0	0	112.1	L976 S982 Y983 Q984	L976-C980 WeakPolarHBondContact O-CB 3.27Å; L976-C980 PolarHBondContact O-N 2.89Å; L976-C980 PolarHBondContact O-SG 3.49Å; L976-C980 VanDerWaalsContact O-SG 3.37Å; C980-S982 VanDerWaalsContact C-N 3.25Å; C980-S982 PolarHBondContact O-N 3.28Å; C980-Y983 PolarHBondContact O-N 2.9Å; C980-Q984 PolarHBondContact O-N 2.87Å
981	N	82.4	Confident	82.2	Confident	96 Å²	96	88.9 Å²	88.9	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-36.3	175.1	-72.8	-22.8	0	0	0	111.6	Q977 S978 L979 S985	Q977-N981 VanDerWaalsContact O-CB 3.3Å; Q977-N981 WeakPolarHBondContact O-CB 3.41Å; Q977-N981 PolarHBondContact O-N 3.25Å; Q977-N981 PolarHBondContact O-ND2 3.45Å; S978-N981 PolarHBondContact O-N 2.95Å; L979-N981 PolarHBondContact O-N 3.49Å; N981-S985 VanDerWaalsContact O-CB 3.31Å; N981-S985 WeakPolarHBondContact O-CB 3.35Å; N981-S985 PolarHBondContact O-N 3.08Å; N981-S985 PolarHBondContact O-OG 3.3Å
982	S	85.3	Confident	82.1	Confident	49 Å²	49	92 Å²	92	34%	0.343	49%	0.494	S	S	.	.	H	α-helix	trans	-66.6	-39.4	175.5	87.4	0	0	0	0	112.9	S978 L979 C980 R986	S978-S982 PolarHBondContact O-N 3.2Å; L979-S982 WeakPolarHBondContact O-CB 3.25Å; L979-S982 PolarHBondContact O-N 3.37Å; L979-S982 VanDerWaalsContact O-N 3.12Å; L979-S982 PolarHBondContact O-OG 2.95Å; C980-S982 VanDerWaalsContact C-N 3.25Å; C980-S982 PolarHBondContact O-N 3.28Å; S982-R986 WeakPolarHBondContact O-CB 3.22Å; S982-R986 VanDerWaalsContact O-CG 3.24Å; S982-R986 WeakPolarHBondContact O-CG 3.39Å; S982-R986 PolarHBondContact O-N 2.87Å
983	Y	79.4	Confident	82.1	Confident	137 Å²	137	91.2 Å²	91.2	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-68	-44	174.6	-76.9	-67.1	0	0	0	111.7	L979 C980 S985 R986 A987	L979-Y983 HydrophobicContact CD1-CD2 4.13Å; L979-Y983 HydrophobicContact CD1-CE2 3.55Å; L979-Y983 HydrophobicContact CD2-CE2 4.31Å; L979-Y983 HydrophobicContact CG-CD2 4.06Å; L979-Y983 HydrophobicContact CG-CE2 3.69Å; L979-Y983 VanDerWaalsContact O-CD2 3.26Å; L979-Y983 WeakPolarHBondContact O-CD2 3.46Å; L979-Y983 PolarHBondContact O-N 3.46Å; C980-Y983 PolarHBondContact O-N 2.9Å; Y983-S985 PolarHBondContact O-N 2.81Å; Y983-R986 PolarHBondContact O-N 2.98Å; Y983-A987 WeakPolarHBondContact O-CB 3.43Å; Y983-A987 PolarHBondContact O-N 2.89Å
984	Q	82.6	Confident	81.9	Confident	109 Å²	109	90.3 Å²	90.3	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-58.4	-48	175.2	-169.9	64.9	52.8	0	0	110.8	C980 R986 A987 D988	C980-Q984 PolarHBondContact O-N 2.87Å; Q984-R986 VanDerWaalsContact C-N 3.3Å; Q984-R986 PolarHBondContact O-N 2.82Å; Q984-A987 WeakPolarHBondContact O-CB 3.31Å; Q984-A987 PolarHBondContact O-N 3.09Å; Q984-A987 VanDerWaalsContact O-N 3.07Å; Q984-D988 PolarHBondContact NE2-OD1 2.9Å; Q984-D988 VanDerWaalsContact O-CG 3.23Å; Q984-D988 PolarHBondContact O-N 3.19Å
985	S	83.2	Confident	81.8	Confident	76 Å²	76	92.5 Å²	92.5	53%	0.531	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-37.8	178.6	-59.6	0	0	0	0	112.4	N981 Y983 A989	N981-S985 VanDerWaalsContact O-CB 3.31Å; N981-S985 WeakPolarHBondContact O-CB 3.35Å; N981-S985 PolarHBondContact O-N 3.08Å; N981-S985 PolarHBondContact O-OG 3.3Å; Y983-S985 PolarHBondContact O-N 2.81Å; S985-A989 VanDerWaalsContact O-CB 3.23Å; S985-A989 WeakPolarHBondContact O-CB 3.23Å; S985-A989 PolarHBondContact O-N 3.01Å
986	R	85.3	Confident	82	Confident	150 Å²	150	96.6 Å²	96.6	57%	0.566	52%	0.516	S	S	*	.	H	α-helix	trans	-72	-32.3	175	-72.6	170.4	69.4	-172.6	3.5	112.8	S982 Y983 Q984 R990	S982-R986 WeakPolarHBondContact O-CB 3.22Å; S982-R986 VanDerWaalsContact O-CG 3.24Å; S982-R986 WeakPolarHBondContact O-CG 3.39Å; S982-R986 PolarHBondContact O-N 2.87Å; Y983-R986 PolarHBondContact O-N 2.98Å; Q984-R986 VanDerWaalsContact C-N 3.3Å; Q984-R986 PolarHBondContact O-N 2.82Å; R986-R990 WeakPolarHBondContact O-CB 3.39Å; R986-R990 WeakPolarHBondContact O-CG 3.39Å; R986-R990 PolarHBondContact O-N 2.88Å
987	A	74.3	Confident	82.2	Confident	51 Å²	51	100.3 Å²	100.3	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-70.3	-49.6	174.3	0	0	0	0	0	110.9	Y983 Q984 A989 R990 A991	Y983-A987 WeakPolarHBondContact O-CB 3.43Å; Y983-A987 PolarHBondContact O-N 2.89Å; Q984-A987 WeakPolarHBondContact O-CB 3.31Å; Q984-A987 PolarHBondContact O-N 3.09Å; Q984-A987 VanDerWaalsContact O-N 3.07Å; A987-A989 VanDerWaalsContact C-N 3.34Å; A987-A989 PolarHBondContact O-N 3.43Å; A987-R990 WeakPolarHBondContact O-CB 3.39Å; A987-R990 PolarHBondContact O-N 3.29Å; A987-R990 VanDerWaalsContact O-N 3.12Å; A987-A991 PolarHBondContact O-N 3.35Å
988	D	79.5	Confident	82.1	Confident	81 Å²	81	99 Å²	99	43%	0.433	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-40.2	179.6	-63.5	-7.7	0	0	0	111.7	Q984 A991 K992	Q984-D988 PolarHBondContact NE2-OD1 2.9Å; Q984-D988 VanDerWaalsContact O-CG 3.23Å; Q984-D988 PolarHBondContact O-N 3.19Å; D988-A991 PolarHBondContact O-N 3.46Å; D988-K992 PolarHBondContact O-N 3.42Å
989	A	83.8	Confident	82.3	Confident	61 Å²	61	99 Å²	99	50%	0.504	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-39.1	174.2	0	0	0	0	0	112.5	S985 A987 A993	S985-A989 VanDerWaalsContact O-CB 3.23Å; S985-A989 WeakPolarHBondContact O-CB 3.23Å; S985-A989 PolarHBondContact O-N 3.01Å; A987-A989 VanDerWaalsContact C-N 3.34Å; A987-A989 PolarHBondContact O-N 3.43Å; A989-A993 WeakPolarHBondContact O-CB 3.41Å; A989-A993 PolarHBondContact O-N 3.12Å; A989-A993 VanDerWaalsContact O-N 3.12Å
990	R	82.3	Confident	82.5	Confident	183 Å²	183	99.7 Å²	99.7	69%	0.691	52%	0.524	S	S	*	.	H	α-helix	trans	-68	-40.1	173.8	-80.7	177.8	167.1	-169.6	-4.9	112.1	R986 A987 A993 V994	R986-R990 WeakPolarHBondContact O-CB 3.39Å; R986-R990 WeakPolarHBondContact O-CG 3.39Å; R986-R990 PolarHBondContact O-N 2.88Å; A987-R990 WeakPolarHBondContact O-CB 3.39Å; A987-R990 PolarHBondContact O-N 3.29Å; A987-R990 VanDerWaalsContact O-N 3.12Å; R990-A993 PolarHBondContact O-N 2.75Å; R990-V994 WeakPolarHBondContact O-CG2 3.22Å; R990-V994 PolarHBondContact O-N 3.5Å
991	A	78.5	Confident	82.6	Confident	59 Å²	59	99.4 Å²	99.4	49%	0.488	52%	0.52	S	S	.	.	H	α-helix	trans	-59.6	-48.9	177	0	0	0	0	0	111.1	A987 D988 A993 V994 E995	A987-A991 PolarHBondContact O-N 3.35Å; D988-A991 PolarHBondContact O-N 3.46Å; A991-A993 PolarHBondContact O-N 2.83Å; A991-V994 PolarHBondContact O-N 2.79Å; A991-E995 PolarHBondContact O-N 3.45Å
992	K	83.7	Confident	82.7	Confident	133 Å²	133	99 Å²	99	58%	0.578	52%	0.515	S	S	*	.	H	α-helix	trans	-59.3	-45	174.9	-73.2	-177.6	175.5	-175.8	0	113.1	D988 V994 E995 E996	D988-K992 PolarHBondContact O-N 3.42Å; K992-V994 PolarHBondContact O-N 2.61Å; K992-E995 PolarHBondContact O-N 3.32Å; K992-E995 VanDerWaalsContact O-N 3.16Å; K992-E996 WeakPolarHBondContact O-CB 3.38Å; K992-E996 WeakPolarHBondContact O-CG 3.45Å; K992-E996 PolarHBondContact O-N 3.33Å
993	A	83.8	Confident	82.9	Confident	56 Å²	56	100.5 Å²	100.5	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-29.8	178.1	0	0	0	0	0	113	A989 R990 A991 K997	A989-A993 WeakPolarHBondContact O-CB 3.41Å; A989-A993 PolarHBondContact O-N 3.12Å; A989-A993 VanDerWaalsContact O-N 3.12Å; R990-A993 PolarHBondContact O-N 2.75Å; A991-A993 PolarHBondContact O-N 2.83Å; A993-K997 VanDerWaalsContact O-CB 3.28Å; A993-K997 WeakPolarHBondContact O-CB 3.46Å; A993-K997 PolarHBondContact O-N 3.03Å
994	V	81.8	Confident	83.2	Confident	102 Å²	102	100.7 Å²	100.7	62%	0.618	53%	0.526	S	S	*	.	H	α-helix	trans	-75.2	-41.7	172.3	171.1	0	0	0	0	111.3	R990 A991 K992 K997 N998	R990-V994 WeakPolarHBondContact O-CG2 3.22Å; R990-V994 PolarHBondContact O-N 3.5Å; A991-V994 PolarHBondContact O-N 2.79Å; K992-V994 PolarHBondContact O-N 2.61Å; V994-K997 PolarHBondContact O-N 3.24Å; V994-N998 WeakPolarHBondContact O-CB 3.39Å; V994-N998 PolarHBondContact O-N 2.97Å
995	E	81.4	Confident	83.4	Confident	122 Å²	122	100.5 Å²	100.5	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-63.5	-47.3	177.1	-172	173.6	-158.9	0	0	111.8	A991 K992 K997 N998 N999	A991-E995 PolarHBondContact O-N 3.45Å; K992-E995 PolarHBondContact O-N 3.32Å; K992-E995 VanDerWaalsContact O-N 3.16Å; E995-K997 VanDerWaalsContact C-N 3.32Å; E995-K997 PolarHBondContact O-N 2.66Å; E995-N998 PolarHBondContact O-N 2.98Å; E995-N999 PolarHBondContact O-N 3.33Å; E995-N999 PolarHBondContact O-ND2 3.08Å; E995-N999 PolarHBondContact O-OD1 3.23Å
996	E	86.6	Confident	83.5	Confident	123 Å²	123	102.1 Å²	102.1	58%	0.575	53%	0.525	S	S	*	.	H	α-helix	trans	-59	-41.8	172.6	-73.3	175	-172.9	0	0	111.8	K992 N1000	K992-E996 WeakPolarHBondContact O-CB 3.38Å; K992-E996 WeakPolarHBondContact O-CG 3.45Å; K992-E996 PolarHBondContact O-N 3.33Å; E996-N1000 WeakPolarHBondContact O-CB 3.25Å; E996-N1000 PolarHBondContact O-N 3.45Å; E996-N1000 PolarHBondContact O-ND2 3.41Å
997	K	85.3	Confident	83.7	Confident	155 Å²	155	99.5 Å²	99.5	67%	0.674	52%	0.519	S	S	*	.	H	α-helix	trans	-64.9	-41.5	175.8	-173.2	179.3	179.8	-175.2	0	111.8	A993 V994 E995 N1000 T1001	A993-K997 VanDerWaalsContact O-CB 3.28Å; A993-K997 WeakPolarHBondContact O-CB 3.46Å; A993-K997 PolarHBondContact O-N 3.03Å; V994-K997 PolarHBondContact O-N 3.24Å; E995-K997 VanDerWaalsContact C-N 3.32Å; E995-K997 PolarHBondContact O-N 2.66Å; K997-N1000 PolarHBondContact O-N 2.9Å; K997-T1001 PolarHBondContact O-N 3.15Å; K997-T1001 PolarHBondContact O-OG1 3.46Å
998	N	80.9	Confident	84.3	Confident	93 Å²	93	99.5 Å²	99.5	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-46.4	178.4	-174.3	72.6	0	0	0	111.6	V994 E995 N1000 T1001 E1002	V994-N998 WeakPolarHBondContact O-CB 3.39Å; V994-N998 PolarHBondContact O-N 2.97Å; E995-N998 PolarHBondContact O-N 2.98Å; N998-N1000 VanDerWaalsContact C-N 3.33Å; N998-N1000 PolarHBondContact O-N 2.62Å; N998-T1001 WeakPolarHBondContact CA-OG1 3.42Å; N998-T1001 PolarHBondContact O-N 3.36Å; N998-T1001 VanDerWaalsContact O-N 3.08Å; N998-T1001 PolarHBondContact O-OG1 3.16Å; N998-E1002 PolarHBondContact O-N 3.45Å
999	N	85.3	Confident	84.5	Confident	79 Å²	79	99.2 Å²	99.2	42%	0.422	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-41.2	176.9	-63.7	-13.1	0	0	0	111.1	E995 T1001 E1002 V1003	E995-N999 PolarHBondContact O-N 3.33Å; E995-N999 PolarHBondContact O-ND2 3.08Å; E995-N999 PolarHBondContact O-OD1 3.23Å; N999-T1001 VanDerWaalsContact C-N 3.32Å; N999-T1001 PolarHBondContact O-N 3.14Å; N999-E1002 PolarHBondContact O-N 2.62Å; N999-V1003 WeakPolarHBondContact O-CG2 3.2Å; N999-V1003 PolarHBondContact O-N 2.82Å
1000	N	85.8	Confident	84.7	Confident	99 Å²	99	101.3 Å²	101.3	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-64.4	-31.5	173.4	-83.1	-69.7	0	0	0	113.4	E996 K997 N998 K1004	E996-N1000 WeakPolarHBondContact O-CB 3.25Å; E996-N1000 PolarHBondContact O-N 3.45Å; E996-N1000 PolarHBondContact O-ND2 3.41Å; K997-N1000 PolarHBondContact O-N 2.9Å; N998-N1000 VanDerWaalsContact C-N 3.33Å; N998-N1000 PolarHBondContact O-N 2.62Å; N1000-K1004 VanDerWaalsContact O-CG 3.3Å; N1000-K1004 WeakPolarHBondContact O-CG 2.78Å; N1000-K1004 PolarHBondContact O-N 2.9Å
1001	T	83.8	Confident	85	Confident	74 Å²	74	98.2 Å²	98.2	45%	0.454	51%	0.508	S	S	.	.	H	α-helix	trans	-75.4	-34.3	171.9	41.6	0	0	0	0	112.9	K997 N998 N999 K1004 L1005	K997-T1001 PolarHBondContact O-N 3.15Å; K997-T1001 PolarHBondContact O-OG1 3.46Å; N998-T1001 WeakPolarHBondContact CA-OG1 3.42Å; N998-T1001 PolarHBondContact O-N 3.36Å; N998-T1001 VanDerWaalsContact O-N 3.08Å; N998-T1001 PolarHBondContact O-OG1 3.16Å; N999-T1001 VanDerWaalsContact C-N 3.32Å; N999-T1001 PolarHBondContact O-N 3.14Å; T1001-K1004 PolarHBondContact O-N 3.38Å; T1001-L1005 WeakPolarHBondContact O-CB 3.37Å; T1001-L1005 PolarHBondContact O-N 2.82Å
1002	E	84.5	Confident	85.4	Confident	86 Å²	86	98.5 Å²	98.5	40%	0.402	50%	0.502	S	S	.	.	H	α-helix	trans	-68.5	-39	176.6	-162.2	-166.3	130.3	0	0	112.1	N998 N999 L1005 K1006	N998-E1002 PolarHBondContact O-N 3.45Å; N999-E1002 PolarHBondContact O-N 2.62Å; E1002-L1005 WeakPolarHBondContact O-CB 3.14Å; E1002-L1005 PolarHBondContact O-N 2.78Å; E1002-K1006 PolarHBondContact O-N 3.44Å; E1002-K1006 VanDerWaalsContact O-N 3.08Å; E1002-K1006 IonicContact OE1-NZ 3.37Å; E1002-K1006 PolarHBondContact OE1-NZ 2.82Å
1003	V	88.9	Confident	85.5	Confident	82 Å²	82	97.6 Å²	97.6	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-44.2	171.5	172	0	0	0	0	110.8	N999 L1005 K1006 E1007	N999-V1003 WeakPolarHBondContact O-CG2 3.2Å; N999-V1003 PolarHBondContact O-N 2.82Å; V1003-L1005 VanDerWaalsContact C-N 3.32Å; V1003-L1005 PolarHBondContact O-N 2.72Å; V1003-K1006 PolarHBondContact O-N 3.29Å; V1003-E1007 WeakPolarHBondContact O-CB 3.48Å; V1003-E1007 PolarHBondContact O-N 3.14Å
1004	K	86.6	Confident	85.6	Confident	141 Å²	141	100.4 Å²	100.4	61%	0.613	50%	0.501	S	S	*	.	H	α-helix	trans	-66.2	-31.7	177.1	-75.4	177.3	-178.6	-174.6	0	113.6	N1000 T1001 A1008	N1000-K1004 VanDerWaalsContact O-CG 3.3Å; N1000-K1004 WeakPolarHBondContact O-CG 2.78Å; N1000-K1004 PolarHBondContact O-N 2.9Å; T1001-K1004 PolarHBondContact O-N 3.38Å; K1004-A1008 WeakPolarHBondContact O-CB 3.48Å; K1004-A1008 PolarHBondContact O-N 3.3Å
1005	L	85.9	Confident	85.9	Confident	104 Å²	104	100.1 Å²	100.1	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-53.9	172.5	-169.9	76.8	0	0	0	109.9	T1001 E1002 V1003 E1007 A1008 D1009	T1001-L1005 WeakPolarHBondContact O-CB 3.37Å; T1001-L1005 PolarHBondContact O-N 2.82Å; E1002-L1005 WeakPolarHBondContact O-CB 3.14Å; E1002-L1005 PolarHBondContact O-N 2.78Å; V1003-L1005 VanDerWaalsContact C-N 3.32Å; V1003-L1005 PolarHBondContact O-N 2.72Å; L1005-E1007 VanDerWaalsContact C-N 3.32Å; L1005-E1007 PolarHBondContact O-N 2.8Å; L1005-A1008 CarbonylContact O-C 2.94Å; L1005-A1008 WeakPolarHBondContact O-CA 3.44Å; L1005-A1008 WeakPolarHBondContact O-CB 3.33Å; L1005-A1008 PolarHBondContact O-N 2.75Å; L1005-D1009 VanDerWaalsContact O-CG 3.28Å; L1005-D1009 PolarHBondContact O-N 3Å
1006	K	86.1	Confident	86	Confident	111 Å²	111	96.1 Å²	96.1	48%	0.483	48%	0.475	S	S	.	.	H	α-helix	trans	-58.7	-40.8	177.8	-73.6	165.7	172.6	166.4	0	112.8	E1002 V1003 A1008 D1009 E1010	E1002-K1006 PolarHBondContact O-N 3.44Å; E1002-K1006 VanDerWaalsContact O-N 3.08Å; E1002-K1006 IonicContact OE1-NZ 3.37Å; E1002-K1006 PolarHBondContact OE1-NZ 2.82Å; V1003-K1006 PolarHBondContact O-N 3.29Å; K1006-A1008 VanDerWaalsContact C-N 3.29Å; K1006-A1008 PolarHBondContact O-N 3.46Å; K1006-D1009 PolarHBondContact O-N 3.46Å; K1006-E1010 WeakPolarHBondContact O-CB 3.47Å; K1006-E1010 PolarHBondContact O-N 3.47Å
1007	E	89.6	Confident	85.9	Confident	94 Å²	94	94.7 Å²	94.7	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-61.8	-33.6	171.8	-91.1	-164.9	-128.9	0	0	113.5	V1003 L1005 K1011	V1003-E1007 WeakPolarHBondContact O-CB 3.48Å; V1003-E1007 PolarHBondContact O-N 3.14Å; L1005-E1007 VanDerWaalsContact C-N 3.32Å; L1005-E1007 PolarHBondContact O-N 2.8Å; E1007-K1011 WeakPolarHBondContact O-CD 3.48Å; E1007-K1011 VanDerWaalsContact O-CE 3.25Å; E1007-K1011 WeakPolarHBondContact O-CE 3.34Å; E1007-K1011 WeakPolarHBondContact O-CG 3.39Å; E1007-K1011 PolarHBondContact O-N 3.3Å; E1007-K1011 IonicContact OE2-NZ 2.64Å; E1007-K1011 PolarHBondContact OE2-NZ 3.18Å
1008	A	86.8	Confident	85.9	Confident	51 Å²	51	92.5 Å²	92.5	42%	0.421	47%	0.471	S	S	.	.	H	α-helix	trans	-76.2	-43.6	177.2	0	0	0	0	0	111	K1004 L1005 K1006 E1010 K1011 L1012	K1004-A1008 WeakPolarHBondContact O-CB 3.48Å; K1004-A1008 PolarHBondContact O-N 3.3Å; L1005-A1008 CarbonylContact O-C 2.94Å; L1005-A1008 WeakPolarHBondContact O-CA 3.44Å; L1005-A1008 WeakPolarHBondContact O-CB 3.33Å; L1005-A1008 PolarHBondContact O-N 2.75Å; K1006-A1008 VanDerWaalsContact C-N 3.29Å; K1006-A1008 PolarHBondContact O-N 3.46Å; A1008-E1010 PolarHBondContact O-N 3.1Å; A1008-K1011 PolarHBondContact O-N 3.33Å; A1008-K1011 VanDerWaalsContact O-N 3.11Å; A1008-L1012 WeakPolarHBondContact O-CB 3.23Å; A1008-L1012 PolarHBondContact O-N 3.39Å
1009	D	83.2	Confident	86	Confident	76 Å²	76	90.2 Å²	90.2	41%	0.406	46%	0.458	S	S	.	.	H	α-helix	trans	-59.6	-44.8	176	-60.9	-28.7	0	0	0	111.2	L1005 K1006 K1011 L1012 Q1013	L1005-D1009 VanDerWaalsContact O-CG 3.28Å; L1005-D1009 PolarHBondContact O-N 3Å; K1006-D1009 PolarHBondContact O-N 3.46Å; D1009-K1011 VanDerWaalsContact C-N 3.33Å; D1009-K1011 PolarHBondContact O-N 2.82Å; D1009-L1012 PolarHBondContact O-N 2.96Å; D1009-Q1013 PolarHBondContact O-N 3.47Å
1010	E	89.1	Confident	85.9	Confident	104 Å²	104	88 Å²	88	49%	0.486	45%	0.447	S	S	.	.	H	α-helix	trans	-60.6	-39	173.5	-87.1	-163.3	-138.3	0	0	113	K1006 A1008 K1014	K1006-E1010 WeakPolarHBondContact O-CB 3.47Å; K1006-E1010 PolarHBondContact O-N 3.47Å; A1008-E1010 PolarHBondContact O-N 3.1Å; E1010-K1014 WeakPolarHBondContact O-CB 3.46Å; E1010-K1014 VanDerWaalsContact O-CD 3.28Å; E1010-K1014 WeakPolarHBondContact O-CD 3.5Å; E1010-K1014 VanDerWaalsContact O-CG 3.23Å; E1010-K1014 WeakPolarHBondContact O-CG 3.34Å; E1010-K1014 PolarHBondContact O-N 3.11Å; E1010-K1014 VanDerWaalsContact O-N 3.11Å; E1010-K1014 IonicContact OE2-NZ 3.54Å; E1010-K1014 PolarHBondContact OE2-NZ 3.2Å
1011	K	88.5	Confident	85.7	Confident	118 Å²	118	85.3 Å²	85.3	51%	0.513	44%	0.439	S	S	.	.	H	α-helix	trans	-70.8	-36.8	178	-72.6	162	-159.6	158.4	0	110.7	E1007 A1008 D1009 K1014 L1015	E1007-K1011 WeakPolarHBondContact O-CD 3.48Å; E1007-K1011 VanDerWaalsContact O-CE 3.25Å; E1007-K1011 WeakPolarHBondContact O-CE 3.34Å; E1007-K1011 WeakPolarHBondContact O-CG 3.39Å; E1007-K1011 PolarHBondContact O-N 3.3Å; E1007-K1011 IonicContact OE2-NZ 2.64Å; E1007-K1011 PolarHBondContact OE2-NZ 3.18Å; A1008-K1011 PolarHBondContact O-N 3.33Å; A1008-K1011 VanDerWaalsContact O-N 3.11Å; D1009-K1011 VanDerWaalsContact C-N 3.33Å; D1009-K1011 PolarHBondContact O-N 2.82Å; K1011-K1014 PolarHBondContact O-N 3.45Å; K1011-L1015 VanDerWaalsContact O-CB 3.31Å; K1011-L1015 WeakPolarHBondContact O-CB 3.36Å; K1011-L1015 PolarHBondContact O-N 2.97Å
1012	L	86	Confident	85.6	Confident	66 Å²	66	87.2 Å²	87.2	35%	0.346	45%	0.445	S	S	.	.	H	α-helix	trans	-66	-47.6	175.6	-176.8	60.5	0	0	0	111.4	A1008 D1009 K1014 L1015 R1016	A1008-L1012 WeakPolarHBondContact O-CB 3.23Å; A1008-L1012 PolarHBondContact O-N 3.39Å; D1009-L1012 PolarHBondContact O-N 2.96Å; L1012-K1014 VanDerWaalsContact C-N 3.34Å; L1012-K1014 PolarHBondContact O-N 2.94Å; L1012-L1015 WeakPolarHBondContact O-CB 3.48Å; L1012-L1015 PolarHBondContact O-N 3.15Å; L1012-L1015 VanDerWaalsContact O-N 3.13Å; L1012-R1016 WeakPolarHBondContact O-CB 3.43Å; L1012-R1016 WeakPolarHBondContact O-CG 3.5Å; L1012-R1016 PolarHBondContact O-N 2.83Å
1013	Q	84.8	Confident	85.4	Confident	113 Å²	113	84.3 Å²	84.3	53%	0.528	43%	0.432	S	S	.	.	H	α-helix	trans	-60.7	-41	175.2	-74	-175.8	-24.4	0	0	112.6	D1009 T1017	D1009-Q1013 PolarHBondContact O-N 3.47Å; Q1013-T1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-T1017 PolarHBondContact O-N 3.25Å; Q1013-T1017 PolarHBondContact O-OG1 2.83Å
1014	K	87.6	Confident	84.9	Confident	116 Å²	116	85.4 Å²	85.4	50%	0.504	43%	0.432	S	S	.	.	H	α-helix	trans	-65.4	-38.2	174.3	-72.9	162.5	-171.2	154.8	0	111.7	E1010 K1011 L1012 N1018	E1010-K1014 WeakPolarHBondContact O-CB 3.46Å; E1010-K1014 VanDerWaalsContact O-CD 3.28Å; E1010-K1014 WeakPolarHBondContact O-CD 3.5Å; E1010-K1014 VanDerWaalsContact O-CG 3.23Å; E1010-K1014 WeakPolarHBondContact O-CG 3.34Å; E1010-K1014 PolarHBondContact O-N 3.11Å; E1010-K1014 VanDerWaalsContact O-N 3.11Å; E1010-K1014 IonicContact OE2-NZ 3.54Å; E1010-K1014 PolarHBondContact OE2-NZ 3.2Å; K1011-K1014 PolarHBondContact O-N 3.45Å; L1012-K1014 VanDerWaalsContact C-N 3.34Å; L1012-K1014 PolarHBondContact O-N 2.94Å; K1014-N1018 WeakPolarHBondContact O-CB 3.39Å; K1014-N1018 PolarHBondContact O-N 3.44Å; K1014-N1018 PolarHBondContact O-ND2 2.91Å; K1014-N1018 VanDerWaalsContact O-ND2 3.16Å
1015	L	86.3	Confident	84.5	Confident	96 Å²	96	86.9 Å²	86.9	50%	0.503	44%	0.439	S	S	.	.	H	α-helix	trans	-66.3	-49.9	175.7	-177.5	61.8	0	0	0	111.6	K1011 L1012 T1017 N1018 I1019	K1011-L1015 VanDerWaalsContact O-CB 3.31Å; K1011-L1015 WeakPolarHBondContact O-CB 3.36Å; K1011-L1015 PolarHBondContact O-N 2.97Å; L1012-L1015 WeakPolarHBondContact O-CB 3.48Å; L1012-L1015 PolarHBondContact O-N 3.15Å; L1012-L1015 VanDerWaalsContact O-N 3.13Å; L1015-T1017 PolarHBondContact O-N 3.43Å; L1015-N1018 PolarHBondContact O-N 2.83Å; L1015-N1018 VanDerWaalsContact O-N 3.13Å; L1015-I1019 HydrophobicContact CD1-CD1 4.05Å; L1015-I1019 HydrophobicContact CD1-CG1 4.34Å; L1015-I1019 HydrophobicContact CG-CD1 3.88Å; L1015-I1019 WeakPolarHBondContact O-CG1 3.45Å; L1015-I1019 PolarHBondContact O-N 3.04Å
1016	R	84.9	Confident	84	Confident	38 Å²	38	87.3 Å²	87.3	14%	0.143	45%	0.445	C	S	.	.	H	α-helix	trans	-52.2	-51.9	173.7	-76.4	-175.3	179.9	148.5	-1.3	111.6	L1012 N1018 I1019 V1020 D1035 L1038 D1039	L1012-R1016 WeakPolarHBondContact O-CB 3.43Å; L1012-R1016 WeakPolarHBondContact O-CG 3.5Å; L1012-R1016 PolarHBondContact O-N 2.83Å; R1016-N1018 VanDerWaalsContact C-N 3.32Å; R1016-N1018 PolarHBondContact O-N 3.19Å; R1016-I1019 PolarHBondContact O-N 3.31Å; R1016-I1019 VanDerWaalsContact O-N 3.08Å; R1016-V1020 PolarHBondContact O-N 3.11Å; R1016-D1035 VanDerWaalsContact CD-CG 3.45Å; R1016-D1035 WeakPolarHBondContact CD-OD2 3.49Å; R1016-D1035 IonicContact CZ-OD2 2.9Å; R1016-D1035 IonicContact NE-OD2 2.7Å; R1016-D1035 IonicContact NH1-OD2 3.21Å; R1016-D1035 PolarHBondContact NH1-OD2 3.32Å; R1016-L1038 HydrophobicContact CB-CD2 3.51Å; R1016-L1038 HydrophobicContact CG-CD2 3.76Å; R1016-D1039 IonicContact CZ-OD1 3.67Å; R1016-D1039 IonicContact CZ-OD2 3.05Å; R1016-D1039 IonicContact NE-OD1 2.79Å; R1016-D1039 PolarHBondContact NE-OD1 2.59Å; R1016-D1039 IonicContact NE-OD2 3.15Å; R1016-D1039 VanDerWaalsContact NH2-CG 3.34Å; R1016-D1039 IonicContact NH2-OD1 3.77Å; R1016-D1039 PolarHBondContact NH2-OD1 2.89Å; R1016-D1039 IonicContact NH2-OD2 2.71Å; R1016-D1039 PolarHBondContact NH2-OD2 2.81Å
1017	T	84.3	Confident	83.2	Confident	92 Å²	92	87 Å²	87	56%	0.564	45%	0.446	S	S	*	.	H	α-helix	trans	-55.4	-44.9	176.5	-54.8	0	0	0	0	112.2	Q1013 L1015 A1021	Q1013-T1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-T1017 PolarHBondContact O-N 3.25Å; Q1013-T1017 PolarHBondContact O-OG1 2.83Å; L1015-T1017 PolarHBondContact O-N 3.43Å; T1017-A1021 WeakPolarHBondContact O-CB 3.35Å; T1017-A1021 PolarHBondContact O-N 2.86Å; T1017-A1021 VanDerWaalsContact O-N 3.12Å
1018	N	85.2	Confident	81.8	Confident	110 Å²	110	91.8 Å²	91.8	59%	0.588	47%	0.468	S	S	*	.	H	α-helix	trans	-67.6	-33.8	178	-73.4	-25.8	0	0	0	112.8	K1014 L1015 R1016 L1022	K1014-N1018 WeakPolarHBondContact O-CB 3.39Å; K1014-N1018 PolarHBondContact O-N 3.44Å; K1014-N1018 PolarHBondContact O-ND2 2.91Å; K1014-N1018 VanDerWaalsContact O-ND2 3.16Å; L1015-N1018 PolarHBondContact O-N 2.83Å; L1015-N1018 VanDerWaalsContact O-N 3.13Å; R1016-N1018 VanDerWaalsContact C-N 3.32Å; R1016-N1018 PolarHBondContact O-N 3.19Å; N1018-L1022 WeakPolarHBondContact O-CB 3.49Å; N1018-L1022 PolarHBondContact O-N 3.19Å; N1018-L1022 VanDerWaalsContact O-N 3.1Å
1019	I	83.6	Confident	80.6	Confident	44 Å²	44	97.2 Å²	97.2	23%	0.226	49%	0.49	C	S	.	.	H	α-helix	trans	-71.7	-44.1	177.6	-66.7	168.3	0	0	0	110.6	L1015 R1016 A1021 L1022 L1023 L1038 I1042	L1015-I1019 HydrophobicContact CD1-CD1 4.05Å; L1015-I1019 HydrophobicContact CD1-CG1 4.34Å; L1015-I1019 HydrophobicContact CG-CD1 3.88Å; L1015-I1019 WeakPolarHBondContact O-CG1 3.45Å; L1015-I1019 PolarHBondContact O-N 3.04Å; R1016-I1019 PolarHBondContact O-N 3.31Å; R1016-I1019 VanDerWaalsContact O-N 3.08Å; I1019-A1021 VanDerWaalsContact C-N 3.31Å; I1019-A1021 PolarHBondContact O-N 3.36Å; I1019-L1022 WeakPolarHBondContact O-CA 3.35Å; I1019-L1022 WeakPolarHBondContact O-CB 3.38Å; I1019-L1022 PolarHBondContact O-N 2.77Å; I1019-L1023 HydrophobicContact CG2-CD1 3.83Å; I1019-L1023 HydrophobicContact CG2-CG 4.09Å; I1019-L1023 WeakPolarHBondContact O-CG 3.42Å; I1019-L1023 PolarHBondContact O-N 3.43Å; I1019-L1038 HydrophobicContact CG2-CD1 4.33Å; I1019-I1042 HydrophobicContact CB-CD1 4.46Å; I1019-I1042 HydrophobicContact CD1-CD1 3.81Å; I1019-I1042 HydrophobicContact CG2-CD1 3.87Å; I1019-I1042 HydrophobicContact CG2-CG1 4.11Å
1020	V	82.8	Confident	80	Confident	34 Å²	34	94.9 Å²	94.9	21%	0.206	48%	0.477	C	S	.	.	H	α-helix	trans	-55.1	-48.8	172.3	175.1	0	0	0	0	110.6	R1016 L1022 L1023 Q1024 L1038	R1016-V1020 PolarHBondContact O-N 3.11Å; V1020-L1022 PolarHBondContact O-N 3.48Å; V1020-L1022 VanDerWaalsContact O-N 3.17Å; V1020-L1023 PolarHBondContact O-N 2.82Å; V1020-Q1024 HydrophobicContact CG1-CG 4.29Å; V1020-Q1024 WeakPolarHBondContact O-CB 3.49Å; V1020-Q1024 WeakPolarHBondContact O-CG 3.44Å; V1020-Q1024 PolarHBondContact O-N 3.42Å; V1020-L1038 HydrophobicContact CG2-CD1 3.67Å; V1020-L1038 HydrophobicContact CG2-CD2 3.56Å; V1020-L1038 HydrophobicContact CG2-CG 4.2Å
1021	A	80.9	Confident	79	Confident	42 Å²	42	96.2 Å²	96.2	35%	0.347	49%	0.487	S	S	.	.	H	α-helix	trans	-69.7	-7.9	178.9	0	0	0	0	0	114.8	T1017 I1019 K1025	T1017-A1021 WeakPolarHBondContact O-CB 3.35Å; T1017-A1021 PolarHBondContact O-N 2.86Å; T1017-A1021 VanDerWaalsContact O-N 3.12Å; I1019-A1021 VanDerWaalsContact C-N 3.31Å; I1019-A1021 PolarHBondContact O-N 3.36Å; A1021-K1025 WeakPolarHBondContact O-CD 3.19Å; A1021-K1025 WeakPolarHBondContact O-CE 3.33Å
1022	L	81.9	Confident	78.3	Confident	113 Å²	113	92.1 Å²	92.1	59%	0.592	47%	0.471	S	S	*	.	H	α-helix	trans	-94.1	-47.9	169.7	-166.7	79.6	0	0	0	110.6	N1018 I1019 V1020 Q1024 K1025 V1026	N1018-L1022 WeakPolarHBondContact O-CB 3.49Å; N1018-L1022 PolarHBondContact O-N 3.19Å; N1018-L1022 VanDerWaalsContact O-N 3.1Å; I1019-L1022 WeakPolarHBondContact O-CA 3.35Å; I1019-L1022 WeakPolarHBondContact O-CB 3.38Å; I1019-L1022 PolarHBondContact O-N 2.77Å; V1020-L1022 PolarHBondContact O-N 3.48Å; V1020-L1022 VanDerWaalsContact O-N 3.17Å; L1022-Q1024 PolarHBondContact O-N 3.39Å; L1022-K1025 WeakPolarHBondContact O-CB 3.46Å; L1022-K1025 PolarHBondContact O-N 3.17Å; L1022-V1026 WeakPolarHBondContact O-CG2 3.37Å; L1022-V1026 PolarHBondContact O-N 3.5Å
1023	L	79.4	Confident	77.6	Confident	25 Å²	25	94.8 Å²	94.8	13%	0.131	49%	0.485	C	S	.	.	H	α-helix	trans	-57.7	-46.8	178.4	-71.8	175.3	0	0	0	111.5	I1019 V1020 K1025 V1026 Q1027 I1030 I1032 L1038 Y1041 L1045	I1019-L1023 HydrophobicContact CG2-CD1 3.83Å; I1019-L1023 HydrophobicContact CG2-CG 4.09Å; I1019-L1023 WeakPolarHBondContact O-CG 3.42Å; I1019-L1023 PolarHBondContact O-N 3.43Å; V1020-L1023 PolarHBondContact O-N 2.82Å; L1023-K1025 PolarHBondContact O-N 3.33Å; L1023-V1026 PolarHBondContact O-N 3.17Å; L1023-Q1027 PolarHBondContact O-N 3.35Å; L1023-I1030 HydrophobicContact CB-CD1 3.97Å; L1023-I1030 HydrophobicContact CD2-CD1 4.46Å; L1023-I1032 HydrophobicContact CD1-CD1 4.42Å; L1023-L1038 HydrophobicContact CD1-CD1 4.05Å; L1023-Y1041 HydrophobicContact CD1-CD1 3.82Å; L1023-Y1041 HydrophobicContact CD1-CE1 3.72Å; L1023-Y1041 HydrophobicContact CD2-CE1 3.91Å; L1023-Y1041 HydrophobicContact CG-CE1 4.44Å; L1023-L1045 HydrophobicContact CD2-CD1 4.44Å
1024	Q	78.4	Confident	77.4	Confident	105 Å²	105	92.6 Å²	92.6	49%	0.491	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-6.3	174.7	-70.1	176.9	-23	0	0	114.7	V1020 L1022	V1020-Q1024 HydrophobicContact CG1-CG 4.29Å; V1020-Q1024 WeakPolarHBondContact O-CB 3.49Å; V1020-Q1024 WeakPolarHBondContact O-CG 3.44Å; V1020-Q1024 PolarHBondContact O-N 3.42Å; L1022-Q1024 PolarHBondContact O-N 3.39Å
1025	K	78.7	Confident	77	Confident	172 Å²	172	90.2 Å²	90.2	75%	0.748	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-8.5	172.4	-67.3	177.6	-177.1	166.2	0	113.6	A1021 L1022 L1023	A1021-K1025 WeakPolarHBondContact O-CD 3.19Å; A1021-K1025 WeakPolarHBondContact O-CE 3.33Å; L1022-K1025 WeakPolarHBondContact O-CB 3.46Å; L1022-K1025 PolarHBondContact O-N 3.17Å; L1023-K1025 PolarHBondContact O-N 3.33Å
1026	V	75.4	Confident	76.6	Confident	113 Å²	113	91.9 Å²	91.9	69%	0.685	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-30.2	-179.9	177.2	0	0	0	0	110.8	L1022 L1023	L1022-V1026 WeakPolarHBondContact O-CG2 3.37Å; L1022-V1026 PolarHBondContact O-N 3.5Å; L1023-V1026 PolarHBondContact O-N 3.17Å
1027	Q	70.5	Confident	76.4	Confident	106 Å²	106	94.9 Å²	94.9	50%	0.495	50%	0.498	S	S	.	.			trans	-133.7	126.8	169.4	-64.3	-177.5	3.3	0	0	109.1	L1023 D1029 I1030	L1023-Q1027 PolarHBondContact O-N 3.35Å; Q1027-D1029 VanDerWaalsContact C-N 3.32Å; Q1027-D1029 PolarHBondContact O-N 2.75Å; Q1027-I1030 HydrophobicContact CB-CD1 3.74Å; Q1027-I1030 HydrophobicContact CB-CG1 3.85Å; Q1027-I1030 HydrophobicContact CG-CD1 4.3Å
1028	E	59.6	Low	76.3	Confident	194 Å²	194	90.6 Å²	90.6	91%	0.907	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.3	-172.6	-60.8	-172.4	133.3	0	0	113.5
1029	D	61.3	Low	76.2	Confident	164 Å²	164	88.3 Å²	88.3	88%	0.877	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	20.3	-174.2	-67.4	-51.4	0	0	0	114.5	Q1027 D1031	Q1027-D1029 VanDerWaalsContact C-N 3.32Å; Q1027-D1029 PolarHBondContact O-N 2.75Å; D1029-D1031 PolarHBondContact O-N 3.21Å
1030	I	70.5	Confident	76	Confident	28 Å²	28	88.9 Å²	88.9	14%	0.144	47%	0.47	C	S	.	.			trans	-82.8	112.9	175.8	-68.3	177.8	0	0	0	111.3	L1023 Q1027 I1032 Y1041	L1023-I1030 HydrophobicContact CB-CD1 3.97Å; L1023-I1030 HydrophobicContact CD2-CD1 4.46Å; Q1027-I1030 HydrophobicContact CB-CD1 3.74Å; Q1027-I1030 HydrophobicContact CB-CG1 3.85Å; Q1027-I1030 HydrophobicContact CG-CD1 4.3Å; I1030-I1032 HydrophobicContact CG2-CD1 3.52Å; I1030-I1032 HydrophobicContact CG2-CG1 3.67Å; I1030-Y1041 HydrophobicContact CD1-CE1 4.37Å
1031	D	67.8	Low	75.8	Confident	131 Å²	131	90.3 Å²	90.3	70%	0.701	47%	0.473	S	S	*	.			trans	-109.3	107.6	169.7	-171.7	22.1	0	0	0	110.2	D1029 N1033	D1029-D1031 PolarHBondContact O-N 3.21Å; D1031-N1033 VanDerWaalsContact CG-ND2 3.3Å; D1031-N1033 PolarHBondContact OD1-ND2 3.27Å; D1031-N1033 PolarHBondContact OD2-ND2 3.36Å
1032	I	75.3	Confident	75.7	Confident	32 Å²	32	90.1 Å²	90.1	16%	0.164	47%	0.465	C	S	.	.			trans	-128	121.5	178.6	-65.9	171.2	0	0	0	107.1	L1023 I1030 E1037 L1038 Y1041	L1023-I1032 HydrophobicContact CD1-CD1 4.42Å; I1030-I1032 HydrophobicContact CG2-CD1 3.52Å; I1030-I1032 HydrophobicContact CG2-CG1 3.67Å; I1032-E1037 HydrophobicContact CG2-CB 3.99Å; I1032-L1038 HydrophobicContact CD1-CD1 4.09Å; I1032-L1038 HydrophobicContact CG2-CB 3.86Å; I1032-L1038 HydrophobicContact CG2-CD1 4.46Å; I1032-Y1041 HydrophobicContact CD1-CD1 4.18Å; I1032-Y1041 HydrophobicContact CD1-CG 4.22Å
1033	N	71.1	Confident	75.6	Confident	122 Å²	122	91.1 Å²	91.1	65%	0.652	47%	0.467	S	S	*	.			trans	-113.4	-5.6	-168.8	-77	-82.4	0	0	0	114.1	D1031 E1037	D1031-N1033 VanDerWaalsContact CG-ND2 3.3Å; D1031-N1033 PolarHBondContact OD1-ND2 3.27Å; D1031-N1033 PolarHBondContact OD2-ND2 3.36Å; N1033-E1037 PolarHBondContact N-OE2 2.75Å; N1033-E1037 VanDerWaalsContact N-OE2 3.15Å
1034	T	80.1	Confident	75.6	Confident	68 Å²	68	93 Å²	93	42%	0.417	48%	0.477	S	S	.	.	S	Bend	trans	-138.4	152.8	177.6	64.3	0	0	0	0	113.2	D1036 E1037 L1038	T1034-D1036 PolarHBondContact O-N 2.76Å; T1034-E1037 PolarHBondContact N-OE2 2.98Å; T1034-E1037 PolarHBondContact O-N 3.02Å; T1034-E1037 WeakPolarHBondContact OG1-CB 3.47Å; T1034-E1037 WeakPolarHBondContact OG1-CG 3.38Å; T1034-E1037 PolarHBondContact OG1-N 3.06Å; T1034-E1037 PolarHBondContact OG1-OE2 3.15Å; T1034-L1038 PolarHBondContact O-N 2.82Å; T1034-L1038 VanDerWaalsContact O-N 3.1Å
1035	D	78.7	Confident	75.4	Confident	66 Å²	66	92.3 Å²	92.3	35%	0.353	48%	0.476	S	S	.	.	H	α-helix	trans	-58.6	-33.3	173.2	-81.8	27.2	0	0	0	112.6	R1016 L1038 D1039	R1016-D1035 VanDerWaalsContact CD-CG 3.45Å; R1016-D1035 WeakPolarHBondContact CD-OD2 3.49Å; R1016-D1035 IonicContact CZ-OD2 2.9Å; R1016-D1035 IonicContact NE-OD2 2.7Å; R1016-D1035 IonicContact NH1-OD2 3.21Å; R1016-D1035 PolarHBondContact NH1-OD2 3.32Å; D1035-L1038 PolarHBondContact O-N 3.35Å; D1035-D1039 PolarHBondContact O-N 3.35Å
1036	D	78.6	Confident	75.2	Confident	131 Å²	131	90.8 Å²	90.8	70%	0.701	48%	0.476	S	S	*	.	H	α-helix	trans	-73.3	-38.2	-179.8	-66.1	-22.6	0	0	0	111.9	T1034 A1040	T1034-D1036 PolarHBondContact O-N 2.76Å; D1036-A1040 WeakPolarHBondContact O-CB 3.38Å; D1036-A1040 PolarHBondContact O-N 2.87Å; D1036-A1040 VanDerWaalsContact O-N 3.12Å
1037	E	80.8	Confident	74.9	Confident	100 Å²	100	90.4 Å²	90.4	47%	0.467	47%	0.474	S	S	.	.	H	α-helix	trans	-65.5	-39.6	172.2	-73.3	159.8	157.8	0	0	111.4	I1032 N1033 T1034 Y1041	I1032-E1037 HydrophobicContact CG2-CB 3.99Å; N1033-E1037 PolarHBondContact N-OE2 2.75Å; N1033-E1037 VanDerWaalsContact N-OE2 3.15Å; T1034-E1037 PolarHBondContact N-OE2 2.98Å; T1034-E1037 PolarHBondContact O-N 3.02Å; T1034-E1037 WeakPolarHBondContact OG1-CB 3.47Å; T1034-E1037 WeakPolarHBondContact OG1-CG 3.38Å; T1034-E1037 PolarHBondContact OG1-N 3.06Å; T1034-E1037 PolarHBondContact OG1-OE2 3.15Å; E1037-Y1041 WeakPolarHBondContact O-CB 3.37Å; E1037-Y1041 PolarHBondContact O-N 3.47Å
1038	L	81.4	Confident	74.6	Confident	3 Å²	3	91.9 Å²	91.9	2%	0.016	48%	0.479	C	S	.	.	H	α-helix	trans	-64.6	-49.9	177.8	-179.2	64.9	0	0	0	112	R1016 I1019 V1020 L1023 I1032 T1034 D1035 A1040 Y1041 I1042	R1016-L1038 HydrophobicContact CB-CD2 3.51Å; R1016-L1038 HydrophobicContact CG-CD2 3.76Å; I1019-L1038 HydrophobicContact CG2-CD1 4.33Å; V1020-L1038 HydrophobicContact CG2-CD1 3.67Å; V1020-L1038 HydrophobicContact CG2-CD2 3.56Å; V1020-L1038 HydrophobicContact CG2-CG 4.2Å; L1023-L1038 HydrophobicContact CD1-CD1 4.05Å; I1032-L1038 HydrophobicContact CD1-CD1 4.09Å; I1032-L1038 HydrophobicContact CG2-CB 3.86Å; I1032-L1038 HydrophobicContact CG2-CD1 4.46Å; T1034-L1038 PolarHBondContact O-N 2.82Å; T1034-L1038 VanDerWaalsContact O-N 3.1Å; D1035-L1038 PolarHBondContact O-N 3.35Å; L1038-A1040 VanDerWaalsContact C-N 3.31Å; L1038-A1040 PolarHBondContact O-N 2.92Å; L1038-Y1041 PolarHBondContact O-N 2.87Å; L1038-I1042 HydrophobicContact CD1-CD1 4.09Å; L1038-I1042 HydrophobicContact CD1-CG1 4.46Å; L1038-I1042 HydrophobicContact CG-CD1 3.83Å; L1038-I1042 WeakPolarHBondContact O-CD1 3.3Å; L1038-I1042 VanDerWaalsContact O-CG1 3.27Å; L1038-I1042 WeakPolarHBondContact O-CG1 3.23Å; L1038-I1042 PolarHBondContact O-N 2.86Å
1039	D	82.4	Confident	74.4	Confident	62 Å²	62	85.6 Å²	85.6	33%	0.332	47%	0.465	S	S	.	.	H	α-helix	trans	-61.8	-40.9	179.1	-84.8	23.5	0	0	0	110.9	R1016 D1035 Y1041 I1042 E1043	R1016-D1039 IonicContact CZ-OD1 3.67Å; R1016-D1039 IonicContact CZ-OD2 3.05Å; R1016-D1039 IonicContact NE-OD1 2.79Å; R1016-D1039 PolarHBondContact NE-OD1 2.59Å; R1016-D1039 IonicContact NE-OD2 3.15Å; R1016-D1039 VanDerWaalsContact NH2-CG 3.34Å; R1016-D1039 IonicContact NH2-OD1 3.77Å; R1016-D1039 PolarHBondContact NH2-OD1 2.89Å; R1016-D1039 IonicContact NH2-OD2 2.71Å; R1016-D1039 PolarHBondContact NH2-OD2 2.81Å; D1035-D1039 PolarHBondContact O-N 3.35Å; D1039-Y1041 PolarHBondContact O-N 3.32Å; D1039-I1042 PolarHBondContact O-N 3.48Å; D1039-E1043 WeakPolarHBondContact O-CB 3.25Å; D1039-E1043 PolarHBondContact O-N 3.33Å
1040	A	80.4	Confident	73.6	Confident	55 Å²	55	89.1 Å²	89.1	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-38.3	175.3	0	0	0	0	0	112.8	D1036 L1038 E1043 D1044	D1036-A1040 WeakPolarHBondContact O-CB 3.38Å; D1036-A1040 PolarHBondContact O-N 2.87Å; D1036-A1040 VanDerWaalsContact O-N 3.12Å; L1038-A1040 VanDerWaalsContact C-N 3.31Å; L1038-A1040 PolarHBondContact O-N 2.92Å; A1040-E1043 PolarHBondContact O-N 3.26Å; A1040-D1044 WeakPolarHBondContact O-CB 3.24Å; A1040-D1044 PolarHBondContact O-N 3.01Å
1041	Y	79.3	Confident	73.8	Confident	65 Å²	65	92.2 Å²	92.2	26%	0.255	50%	0.501	S	S	.	.	H	α-helix	trans	-68.7	-36.8	175.3	-176.5	-95.8	0	0	0	112.2	L1023 I1030 I1032 E1037 L1038 D1039 L1045	L1023-Y1041 HydrophobicContact CD1-CD1 3.82Å; L1023-Y1041 HydrophobicContact CD1-CE1 3.72Å; L1023-Y1041 HydrophobicContact CD2-CE1 3.91Å; L1023-Y1041 HydrophobicContact CG-CE1 4.44Å; I1030-Y1041 HydrophobicContact CD1-CE1 4.37Å; I1032-Y1041 HydrophobicContact CD1-CD1 4.18Å; I1032-Y1041 HydrophobicContact CD1-CG 4.22Å; E1037-Y1041 WeakPolarHBondContact O-CB 3.37Å; E1037-Y1041 PolarHBondContact O-N 3.47Å; L1038-Y1041 PolarHBondContact O-N 2.87Å; D1039-Y1041 PolarHBondContact O-N 3.32Å; Y1041-L1045 HydrophobicContact CD1-CD1 3.9Å; Y1041-L1045 HydrophobicContact CE1-CD1 3.51Å; Y1041-L1045 HydrophobicContact CE1-CG 4.27Å; Y1041-L1045 WeakPolarHBondContact O-CG 3.13Å; Y1041-L1045 PolarHBondContact O-N 3.02Å
1042	I	78.4	Confident	74.1	Confident	37 Å²	37	90.1 Å²	90.1	19%	0.19	49%	0.491	C	S	.	.	H	α-helix	trans	-67	-41.6	172.6	-66.4	161.3	0	0	0	110.7	I1019 L1038 D1039 L1045 L1046	I1019-I1042 HydrophobicContact CB-CD1 4.46Å; I1019-I1042 HydrophobicContact CD1-CD1 3.81Å; I1019-I1042 HydrophobicContact CG2-CD1 3.87Å; I1019-I1042 HydrophobicContact CG2-CG1 4.11Å; L1038-I1042 HydrophobicContact CD1-CD1 4.09Å; L1038-I1042 HydrophobicContact CD1-CG1 4.46Å; L1038-I1042 HydrophobicContact CG-CD1 3.83Å; L1038-I1042 WeakPolarHBondContact O-CD1 3.3Å; L1038-I1042 VanDerWaalsContact O-CG1 3.27Å; L1038-I1042 WeakPolarHBondContact O-CG1 3.23Å; L1038-I1042 PolarHBondContact O-N 2.86Å; D1039-I1042 PolarHBondContact O-N 3.48Å; I1042-L1045 PolarHBondContact O-N 3.15Å; I1042-L1046 HydrophobicContact CG2-CD1 3.74Å; I1042-L1046 HydrophobicContact CG2-CG 4.27Å; I1042-L1046 WeakPolarHBondContact O-CB 3.4Å; I1042-L1046 VanDerWaalsContact O-CG 3.27Å; I1042-L1046 WeakPolarHBondContact O-CG 3.37Å; I1042-L1046 PolarHBondContact O-N 3.19Å
1043	E	80.4	Confident	74	Confident	134 Å²	134	93.3 Å²	93.3	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-65.5	-39.5	177.1	-170.1	168.2	-147.5	0	0	111.8	D1039 A1040 L1046 T1047	D1039-E1043 WeakPolarHBondContact O-CB 3.25Å; D1039-E1043 PolarHBondContact O-N 3.33Å; A1040-E1043 PolarHBondContact O-N 3.26Å; E1043-L1046 PolarHBondContact O-N 3.22Å; E1043-T1047 HydrophobicContact CG-CG2 4.45Å; E1043-T1047 WeakPolarHBondContact O-CB 3.26Å; E1043-T1047 VanDerWaalsContact O-CG2 3.31Å; E1043-T1047 WeakPolarHBondContact O-CG2 3.33Å; E1043-T1047 PolarHBondContact O-N 2.62Å; E1043-T1047 PolarHBondContact O-OG1 3.48Å
1044	D	78.3	Confident	74.2	Confident	66 Å²	66	91.6 Å²	91.6	35%	0.353	50%	0.501	S	S	.	.	H	α-helix	trans	-62.5	-43.5	173.4	-171.6	69.1	0	0	0	112.3	A1040 T1047 K1048	A1040-D1044 WeakPolarHBondContact O-CB 3.24Å; A1040-D1044 PolarHBondContact O-N 3.01Å; D1044-T1047 PolarHBondContact O-OG1 3Å; D1044-K1048 WeakPolarHBondContact O-CB 3.36Å; D1044-K1048 VanDerWaalsContact O-CG 3.31Å; D1044-K1048 WeakPolarHBondContact O-CG 3.37Å; D1044-K1048 PolarHBondContact O-N 3.35Å; D1044-K1048 VanDerWaalsContact O-N 3.1Å; D1044-K1048 WeakPolarHBondContact OD1-CE 3.26Å; D1044-K1048 IonicContact OD1-NZ 2.68Å; D1044-K1048 PolarHBondContact OD1-NZ 2.93Å; D1044-K1048 IonicContact OD2-NZ 3.44Å; D1044-K1048 PolarHBondContact OD2-NZ 3.43Å
1045	L	74.2	Confident	73.8	Confident	89 Å²	89	93.1 Å²	93.1	47%	0.466	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-47.4	172.8	-76.2	171.6	0	0	0	112.4	L1023 Y1041 I1042 T1047 K1048 G1049	L1023-L1045 HydrophobicContact CD2-CD1 4.44Å; Y1041-L1045 HydrophobicContact CD1-CD1 3.9Å; Y1041-L1045 HydrophobicContact CE1-CD1 3.51Å; Y1041-L1045 HydrophobicContact CE1-CG 4.27Å; Y1041-L1045 WeakPolarHBondContact O-CG 3.13Å; Y1041-L1045 PolarHBondContact O-N 3.02Å; I1042-L1045 PolarHBondContact O-N 3.15Å; L1045-T1047 VanDerWaalsContact C-N 3.27Å; L1045-T1047 PolarHBondContact O-N 3.34Å; L1045-K1048 PolarHBondContact O-N 3.22Å; L1045-G1049 PolarHBondContact O-N 2.98Å
1046	L	74.3	Confident	73.5	Confident	141 Å²	141	94.9 Å²	94.9	74%	0.738	52%	0.516	S	S	*	.	H	α-helix	trans	-69	-23	-178	-72.8	174.2	0	0	0	113.5	I1042 E1043	I1042-L1046 HydrophobicContact CG2-CD1 3.74Å; I1042-L1046 HydrophobicContact CG2-CG 4.27Å; I1042-L1046 WeakPolarHBondContact O-CB 3.4Å; I1042-L1046 VanDerWaalsContact O-CG 3.27Å; I1042-L1046 WeakPolarHBondContact O-CG 3.37Å; I1042-L1046 PolarHBondContact O-N 3.19Å; E1043-L1046 PolarHBondContact O-N 3.22Å
1047	T	70.3	Confident	73.1	Confident	105 Å²	105	92.4 Å²	92.4	64%	0.644	50%	0.503	S	S	*	.	H	α-helix	trans	-91.3	-24.8	177.2	50.3	0	0	0	0	113.5	E1043 D1044 L1045	E1043-T1047 HydrophobicContact CG-CG2 4.45Å; E1043-T1047 WeakPolarHBondContact O-CB 3.26Å; E1043-T1047 VanDerWaalsContact O-CG2 3.31Å; E1043-T1047 WeakPolarHBondContact O-CG2 3.33Å; E1043-T1047 PolarHBondContact O-N 2.62Å; E1043-T1047 PolarHBondContact O-OG1 3.48Å; D1044-T1047 PolarHBondContact O-OG1 3Å; L1045-T1047 VanDerWaalsContact C-N 3.27Å; L1045-T1047 PolarHBondContact O-N 3.34Å
1048	K	64.5	Low	72.5	Confident	137 Å²	137	91.8 Å²	91.8	60%	0.596	51%	0.505	S	S	*	.	H	α-helix	trans	-80.2	-35.7	178.2	-76.7	170.6	177.1	165.7	0	114	D1044 L1045	D1044-K1048 WeakPolarHBondContact O-CB 3.36Å; D1044-K1048 VanDerWaalsContact O-CG 3.31Å; D1044-K1048 WeakPolarHBondContact O-CG 3.37Å; D1044-K1048 PolarHBondContact O-N 3.35Å; D1044-K1048 VanDerWaalsContact O-N 3.1Å; D1044-K1048 WeakPolarHBondContact OD1-CE 3.26Å; D1044-K1048 IonicContact OD1-NZ 2.68Å; D1044-K1048 PolarHBondContact OD1-NZ 2.93Å; D1044-K1048 IonicContact OD2-NZ 3.44Å; D1044-K1048 PolarHBondContact OD2-NZ 3.43Å; L1045-K1048 PolarHBondContact O-N 3.22Å
1049	G	54.9	Low	71.8	Confident	61 Å²	61	99.2 Å²	99.2	63%	0.629	55%	0.546	S	S	*	.			trans	69.2	39.1	160.7	0	0	0	0	0	117.2	L1045	L1045-G1049 PolarHBondContact O-N 2.98Å
1050	D	43.9	Very low	70.8	Confident	238 Å²	238	102.5 Å²	102.5	100%	1.273	57%	0.566	S	S	*	*			trans	-85.8	0	162.4	-76.9	-48.6	0	0	0	111.6

Retrieved 1,050 of 1,050 residues in 470.2 ms (Link to these results)

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