A0A096NVD4_PAPAN Loading...

AT-rich interactive domain-containing protein 4A

DNA-binding protein which modulates activity of several transcription factors including RB1 (retinoblastoma-associated protein) and AR (androgen receptor). May function as part of an mSin3A repressor complex. Has no intrinsic transcriptional activity. Plays a role in the regulation of epigenetic modifications at the PWS/AS imprinting center near the SNRPN promoter, where it might function as part of a complex with RB1 and ARID4B. Involved in spermatogenesis, together with ARID4B, where it acts as a transcriptional coactivator for AR and enhances expression of genes required for sperm maturation. Regulates expression of the tight junction protein CLDN3 in the testis, which is important for integrity of the blood-testis barrier. Plays a role in myeloid homeostasis where it regulates the histone methylation state of bone marrow cells and expression of various genes involved in hematopoiesis. May function as a leukemia suppressor.

AlphaFold DB , UniProt , Accession A0A096NVD4, Species PAPAN (Papio anubis, Olive baboon), Gene ARID4A, Length 1,257 aa.

						>A0A096NVD4_PAPAN|A0A096NVD4|ARID4A
MKAADEPAYLTVGTDVSAKYRGAFCEAKIKTVKRLVKVKVLLKQDNTTQLVQDDQVKGPLRVGAIVETRTSDGSFQEAIISKLTDASWYTVVFDDGDERTLRRTSLCLKGERHFAESETLDQLPLTNPEHFGTPVIAKKTNRGRRSSLPVTEDEKEEESSEEEDEDKRRLNDELLGKVVSVVSATERTEWYPALVISPSCNDDITVKKDQCLVRSFIDSKFYSIARKDIKQVDILNLPESELSSKPGLQKASIFLKTRVVPDNWKMDISEILESSSSDDEDGPAEENDEEKEKEVKKTEEEVPEEELDPEERDNFLQQLYKFMEDRGTPINKPPVLGYKDLNLFKLFRLVYHQGGCDNIDSGAVWKQIYMDLGIPILNSAASYNVKTAYRKYLYGFEEYCRSANIQFRTIHHHEPKVKEEKKDLEESMEEALKLDQEMPLTEVKSEPEENIDSNSESEREEIELKSPRGRRRIARDVNSIKKEIEEEKTEDKLKDNDTENKDADDDYETAEKKENELLLGRKNTPKQKEKKIKKQEDSDKDSDEEEEKSQEREETESKCDSEGEEDEEDMEPCLTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYYGWNVRYDEWVKADRIIWPLDKGGPKKKQKKKAKNKEDSEKDEKRDEERQKSKRGRPPLKSTLSSNMPYGLSKTANSEGKSDSCSSDSETEDALEKNLINEELSLKDELEKNENLNDDKLDEENPKISAHILKENDRTQLQPLETLKLEVGENEQIVQIFGNKMEQAEEVKKEAEKSPKGKGRRSKTKDLSLEIIKISSFGQNEAGSEPHIEARSLELSSLDNKNFSSATEDEIDQCVKEKKLKRKILGQSSPEKKIRIENGMEMTTTVSQERTSDCIGSEGMKKLNFEQHFERENEGMPSLTAESNQCIQQLTSERFDSPAEETVNIPLKEDEDAMPLIGPETLVCHEVDLDDLDEKDKTSIEDVAVESSESNSLVSIPPALPPVVQHNFSVASPLTLSQDESRSVKSESDITIEVDSIAEESQEGLCERESANGFETNVASGTCSIIVQERESREKGQKRPSDGNSGLMAKKQKRTPKRTNAAAKNEKNGTGQSSDSEDLPVLDNSSKCTPVKHLNVSKPQKLARSPARISPHIKDGEKDKHREKHPNSSPRTYKWSFQLNELDNMNSTERISFLQEKLQEIRKYYMSLKSEVATIDRRRKRLKKKDREVSHAGASMSSASSDTGMSPSSSSPPQNVLAVECR
					

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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	41	Very low	59.5	Low	247 Å²	247	110.7 Å²	110.7	100%	1.217	62%	0.62	S	S	*	*				0	120.3	0	-69.8	173.2	172.6	0	0	109.4
2	K	30.9	Very low	62.2	Low	221 Å²	221	109 Å²	109	96%	0.961	61%	0.614	S	S	*	*			trans	-162.3	65.5	167.7	-127.2	-175.4	-176.5	-173.1	0	110.1
3	A	35.9	Very low	64.4	Low	104 Å²	104	103.8 Å²	103.8	86%	0.86	60%	0.599	S	S	*	*			trans	-136.5	46.6	-177.8	0	0	0	0	0	109.9
4	A	36.3	Very low	66.4	Low	97 Å²	97	98.6 Å²	98.6	80%	0.802	57%	0.57	S	S	*	*	S	Bend	trans	-104	-15.3	-160	0	0	0	0	0	115.2
5	D	48.6	Very low	68.1	Low	160 Å²	160	96.1 Å²	96.1	86%	0.856	55%	0.554	S	S	*	*			trans	-146.7	20.2	-169.1	-116.1	-25.2	0	0	0	114.7	P7	D5-P7 WeakPolarHBondContact O-CD 3.19Å
6	E	58.8	Low	69.7	Low	138 Å²	138	90.1 Å²	90.1	65%	0.645	52%	0.519	S	S	*	.			trans	-78.8	121.3	163.9	-164.3	-170.8	160.4	0	0	108.8	R103	E6-R103 IonicContact OE1-CZ 3.91Å; E6-R103 IonicContact OE1-NE 3.92Å; E6-R103 PolarHBondContact OE1-NE 2.99Å; E6-R103 IonicContact OE1-NH2 2.76Å; E6-R103 PolarHBondContact OE1-NH2 3.4Å
7	P	68.9	Low	71	Confident	64 Å²	64	84.9 Å²	84.9	42%	0.416	49%	0.489	S	S	.	.			trans	-72.4	144.6	-178.8	31	-36.3	0	0	0	111.1	D5 Y9 L10	D5-P7 WeakPolarHBondContact O-CD 3.19Å; P7-Y9 PolarHBondContact O-N 3Å; P7-L10 HydrophobicContact CG-CD2 4.01Å
8	A	72.6	Confident	72.1	Confident	34 Å²	34	80.2 Å²	80.2	28%	0.281	46%	0.462	S	S	.	.	S	Bend	trans	-60.3	-13.6	-176.5	0	0	0	0	0	115.1	L83	A8-L83 HydrophobicContact CB-CD1 4.23Å
9	Y	83.3	Confident	73	Confident	70 Å²	70	81.1 Å²	81.1	28%	0.275	46%	0.46	S	S	.	.	S	Bend	trans	-159.8	154.4	165.8	62.1	-83.3	0	0	0	108.2	P7 R34 V36 Y89	P7-Y9 PolarHBondContact O-N 3Å; Y9-R34 HydrophobicContact CD1-CG 4.23Å; Y9-R34 HydrophobicContact CD2-CG 4.15Å; Y9-R34 VanDerWaalsContact CE1-CD 3.41Å; Y9-R34 HydrophobicContact CE1-CG 4.45Å; Y9-R34 HydrophobicContact CE2-CG 4.38Å; Y9-R34 HydrophobicContact CG-CG 4.08Å; Y9-R34 VanDerWaalsContact CZ-CD 3.41Å; Y9-R34 PolarHBondContact OH-NH1 3.04Å; Y9-V36 HydrophobicContact CD1-CG2 4.08Å; Y9-Y89 WeakPolarHBondContact CA-OH 3.15Å; Y9-Y89 WeakPolarHBondContact CB-OH 3.39Å
10	L	88.7	Confident	73.5	Confident	3 Å²	3	79.8 Å²	79.8	2%	0.016	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-80.9	156.6	175.8	-55.3	-177.3	0	0	0	111.5	P7 V16 I29 Y89 L106 L108	P7-L10 HydrophobicContact CG-CD2 4.01Å; L10-V16 HydrophobicContact CD1-CG1 3.67Å; L10-I29 HydrophobicContact CB-CD1 3.48Å; L10-I29 VanDerWaalsContact CB-CD1 3.48Å; L10-I29 HydrophobicContact CD1-CD1 3.74Å; L10-I29 HydrophobicContact CG-CD1 4.27Å; L10-Y89 HydrophobicContact CB-CD1 4.36Å; L10-Y89 HydrophobicContact CB-CE1 3.64Å; L10-Y89 HydrophobicContact CG-CE1 4.4Å; L10-Y89 PolarHBondContact N-OH 2.92Å; L10-L106 HydrophobicContact CD1-CD1 4.49Å; L10-L108 HydrophobicContact CD1-CD2 4.43Å; L10-L108 HydrophobicContact CD2-CD2 3.87Å
11	T	89.4	Confident	73.8	Confident	80 Å²	80	87.1 Å²	87.1	49%	0.491	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-100.9	163.6	-177.6	49	0	0	0	0	112.7	G13 T14 I29	T11-G13 PolarHBondContact O-N 3.2Å; T11-T14 PolarHBondContact N-OG1 2.77Å; T11-T14 PolarHBondContact O-N 2.68Å; T11-T14 PolarHBondContact O-OG1 3.45Å; T11-T14 PolarHBondContact OG1-OG1 3.46Å; T11-I29 WeakPolarHBondContact O-CB 3.4Å; T11-I29 WeakPolarHBondContact O-CG2 3.32Å
12	V	92.3	Very high	75.6	Confident	90 Å²	90	78 Å²	78	55%	0.545	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	135.6	167.5	175.9	0	0	0	0	108.9	K30 V32	V12-K30 VanDerWaalsContact CG1-O 3.29Å; V12-K30 WeakPolarHBondContact CG1-O 3.4Å; V12-V32 HydrophobicContact CG2-CB 4.49Å; V12-V32 HydrophobicContact CG2-CG2 3.91Å
13	G	89.8	Confident	78.1	Confident	41 Å²	41	70.1 Å²	70.1	42%	0.423	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-12.3	-177.2	0	0	0	0	0	114.9	T11 D15 K28 I29	T11-G13 PolarHBondContact O-N 3.2Å; G13-D15 PolarHBondContact O-N 3.11Å; G13-K28 VanDerWaalsContact O-CE 3.22Å; G13-K28 WeakPolarHBondContact O-CE 3.41Å; G13-I29 PolarHBondContact N-O 3.49Å
14	T	92.5	Very high	80.5	Confident	31 Å²	31	68.1 Å²	68.1	19%	0.19	39%	0.386	C	S	.	.			trans	-62.1	133	174.9	-48.4	0	0	0	0	110.7	T11 V16 I29 L108	T11-T14 PolarHBondContact N-OG1 2.77Å; T11-T14 PolarHBondContact O-N 2.68Å; T11-T14 PolarHBondContact O-OG1 3.45Å; T11-T14 PolarHBondContact OG1-OG1 3.46Å; T14-V16 HydrophobicContact CG2-CG1 4.18Å; T14-I29 PolarHBondContact O-N 2.92Å; T14-L108 HydrophobicContact CG2-CD2 3.78Å
15	D	92.4	Very high	83.1	Confident	62 Å²	62	66 Å²	66	33%	0.332	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.9	167.9	-77.8	-70	0	0	0	110.5	G13 K28 K109	G13-D15 PolarHBondContact O-N 3.11Å; D15-K28 WeakPolarHBondContact OD1-CE 3.43Å; D15-K28 IonicContact OD1-NZ 2.82Å; D15-K28 PolarHBondContact OD1-NZ 2.58Å; D15-K28 WeakPolarHBondContact OD2-CE 3.39Å; D15-K28 IonicContact OD2-NZ 3.76Å; D15-K28 PolarHBondContact OD2-NZ 2.65Å; D15-K109 HydrophobicContact CB-CB 3.73Å; D15-K109 HydrophobicContact CB-CD 3.65Å; D15-K109 HydrophobicContact CB-CG 4.31Å; D15-K109 WeakPolarHBondContact O-CB 3.47Å; D15-K109 PolarHBondContact O-N 2.89Å; D15-K109 VanDerWaalsContact O-N 3.11Å
16	V	92.9	Very high	85.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157	-174.5	-71.3	0	0	0	0	111.6	L10 T14 A27 I29 V91 L106 C107	L10-V16 HydrophobicContact CD1-CG1 3.67Å; T14-V16 HydrophobicContact CG2-CG1 4.18Å; V16-A27 HydrophobicContact CG2-CB 4.37Å; V16-A27 VanDerWaalsContact CG2-O 3.3Å; V16-A27 WeakPolarHBondContact CG2-O 3.16Å; V16-A27 PolarHBondContact N-O 3.36Å; V16-A27 PolarHBondContact O-N 2.75Å; V16-I29 HydrophobicContact CG1-CD1 3.9Å; V16-I29 HydrophobicContact CG1-CG1 4.07Å; V16-I29 HydrophobicContact CG2-CG1 3.91Å; V16-V91 HydrophobicContact CG2-CG1 3.94Å; V16-L106 HydrophobicContact CG2-CD2 4.17Å; V16-C107 CarbonylContact C-O 3.58Å; V16-C107 VanDerWaalsContact CA-O 3.24Å; V16-C107 WeakPolarHBondContact CA-O 3.34Å; V16-C107 VanDerWaalsContact CB-O 3.23Å; V16-C107 WeakPolarHBondContact CB-O 3.36Å
17	S	91.8	Very high	86.9	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114	162.8	-56.1	0	0	0	0	108.7	C25 L106 C107 H113	S17-C25 CarbonylContact C-O 3.6Å; S17-C25 WeakPolarHBondContact CA-O 3.13Å; S17-L106 WeakPolarHBondContact O-CA 3.39Å; S17-C107 PolarHBondContact N-O 2.95Å; S17-C107 PolarHBondContact O-N 3.35Å; S17-H113 WeakPolarHBondContact CB-NE2 3.34Å; S17-H113 PolarHBondContact OG-CE1 2.9Å; S17-H113 PolarHBondContact OG-NE2 2.82Å
18	A	91.9	Very high	88.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.5	-173.1	0	0	0	0	0	111.7	Y20 F24 C25 A27 V91 F93 L101 L106	A18-Y20 PolarHBondContact O-N 3.09Å; A18-F24 WeakPolarHBondContact O-CA 3.37Å; A18-C25 PolarHBondContact N-O 3.11Å; A18-C25 PolarHBondContact O-N 3.14Å; A18-A27 HydrophobicContact CB-CB 3.95Å; A18-V91 HydrophobicContact CB-CG2 3.92Å; A18-F93 HydrophobicContact CB-CE1 3.6Å; A18-F93 HydrophobicContact CB-CZ 3.63Å; A18-L101 HydrophobicContact CB-CD1 3.84Å; A18-L106 HydrophobicContact CB-CD2 3.46Å; A18-L106 VanDerWaalsContact CB-CD2 3.46Å
19	K	88.9	Confident	89.2	Confident	97 Å²	97	55.6 Å²	55.6	42%	0.422	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	108.8	-177.1	-169.5	160.3	-172.1	148.9	0	111.8	G22 A23 F24 S105	K19-G22 VanDerWaalsContact CE-O 3.25Å; K19-G22 WeakPolarHBondContact CE-O 3.31Å; K19-A23 CarbonylContact C-O 3.54Å; K19-A23 VanDerWaalsContact CA-O 3.28Å; K19-A23 WeakPolarHBondContact CA-O 2.78Å; K19-A23 WeakPolarHBondContact CG-O 3.23Å; K19-F24 HydrophobicContact CB-CD1 3.89Å; K19-F24 HydrophobicContact CB-CE1 3.73Å; K19-F24 HydrophobicContact CB-CG 4.46Å; K19-F24 HydrophobicContact CB-CZ 4.17Å; K19-F24 HydrophobicContact CD-CE1 4.38Å; K19-F24 HydrophobicContact CD-CE2 4.07Å; K19-F24 HydrophobicContact CD-CZ 3.93Å; K19-F24 HydrophobicContact CG-CE1 4.43Å; K19-F24 HydrophobicContact CG-CZ 4.42Å; K19-S105 PolarHBondContact N-O 3.04Å
20	Y	82.6	Confident	89.7	Confident	54 Å²	54	57 Å²	57	21%	0.212	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.8	-179.9	-171.3	-136.8	0	0	0	111.3	A18 G22 A23 F93 D97 R99	A18-Y20 PolarHBondContact O-N 3.09Å; Y20-G22 PolarHBondContact O-N 2.87Å; Y20-A23 PolarHBondContact N-O 2.9Å; Y20-A23 PolarHBondContact O-N 2.69Å; Y20-A23 VanDerWaalsContact O-O 3.08Å; Y20-F93 HydrophobicContact CG-CE2 4.44Å; Y20-F93 HydrophobicContact CG-CZ 4.21Å; Y20-D97 PolarHBondContact OH-OD2 3.17Å; Y20-R99 HydrophobicContact CD2-CG 4.5Å; Y20-R99 HydrophobicContact CE2-CG 4.25Å; Y20-R99 PolarHBondContact OH-NE 2.89Å; Y20-R99 PolarHBondContact OH-NH2 2.75Å
21	R	80.4	Confident	89.8	Confident	234 Å²	234	60 Å²	60	88%	0.883	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	29.5	-178.4	-68.2	-175	165.8	-165.4	-5.3	115.5
22	G	78.1	Confident	90	Very high	56 Å²	56	58 Å²	58	58%	0.577	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-28.6	178.2	0	0	0	0	0	115	K19 Y20	K19-G22 VanDerWaalsContact CE-O 3.25Å; K19-G22 WeakPolarHBondContact CE-O 3.31Å; Y20-G22 PolarHBondContact O-N 2.87Å
23	A	83.4	Confident	89.9	Confident	55 Å²	55	60.6 Å²	60.6	46%	0.455	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	168.7	174	0	0	0	0	0	111.8	K19 Y20	K19-A23 CarbonylContact C-O 3.54Å; K19-A23 VanDerWaalsContact CA-O 3.28Å; K19-A23 WeakPolarHBondContact CA-O 2.78Å; K19-A23 WeakPolarHBondContact CG-O 3.23Å; Y20-A23 PolarHBondContact N-O 2.9Å; Y20-A23 PolarHBondContact O-N 2.69Å; Y20-A23 VanDerWaalsContact O-O 3.08Å
24	F	87.2	Confident	89.8	Confident	63 Å²	63	63.5 Å²	63.5	28%	0.276	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.8	162.6	-73.9	-90.5	0	0	0	108.7	A18 K19 H113	A18-F24 WeakPolarHBondContact O-CA 3.37Å; K19-F24 HydrophobicContact CB-CD1 3.89Å; K19-F24 HydrophobicContact CB-CE1 3.73Å; K19-F24 HydrophobicContact CB-CG 4.46Å; K19-F24 HydrophobicContact CB-CZ 4.17Å; K19-F24 HydrophobicContact CD-CE1 4.38Å; K19-F24 HydrophobicContact CD-CE2 4.07Å; K19-F24 HydrophobicContact CD-CZ 3.93Å; K19-F24 HydrophobicContact CG-CE1 4.43Å; K19-F24 HydrophobicContact CG-CZ 4.42Å; F24-H113 HydrophobicContact CD2-CB 4.12Å; F24-H113 HydrophobicContact CE2-CB 4.41Å
25	C	90.8	Very high	89.5	Confident	53 Å²	53	64.6 Å²	64.6	36%	0.358	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	154.9	175.7	-58.5	0	0	0	0	109.3	S17 A18 F93	S17-C25 CarbonylContact C-O 3.6Å; S17-C25 WeakPolarHBondContact CA-O 3.13Å; A18-C25 PolarHBondContact N-O 3.11Å; A18-C25 PolarHBondContact O-N 3.14Å; C25-F93 HydrophobicContact CB-CD1 3.76Å; C25-F93 HydrophobicContact CB-CE1 3.78Å
26	E	92.1	Very high	89.3	Confident	83 Å²	83	61.7 Å²	61.7	39%	0.388	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141.5	177.6	-52.7	-157.6	128.7	0	0	110.8	F93 K109	E26-F93 WeakPolarHBondContact O-CD1 3.41Å; E26-K109 VanDerWaalsContact CD-NZ 3.27Å; E26-K109 WeakPolarHBondContact OE1-CE 3.25Å; E26-K109 IonicContact OE1-NZ 3.18Å; E26-K109 WeakPolarHBondContact OE2-CE 3.3Å; E26-K109 IonicContact OE2-NZ 2.81Å; E26-K109 PolarHBondContact OE2-NZ 3.37Å
27	A	94.2	Very high	89.2	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	158	-177.1	0	0	0	0	0	111.5	V16 A18 V91 V92 F93	V16-A27 HydrophobicContact CG2-CB 4.37Å; V16-A27 VanDerWaalsContact CG2-O 3.3Å; V16-A27 WeakPolarHBondContact CG2-O 3.16Å; V16-A27 PolarHBondContact N-O 3.36Å; V16-A27 PolarHBondContact O-N 2.75Å; A18-A27 HydrophobicContact CB-CB 3.95Å; A27-V91 HydrophobicContact CB-CB 3.88Å; A27-V91 HydrophobicContact CB-CG2 3.97Å; A27-V92 CarbonylContact C-O 3.5Å; A27-V92 WeakPolarHBondContact CA-O 3.36Å; A27-V92 WeakPolarHBondContact CB-O 3.24Å; A27-F93 HydrophobicContact CB-CD1 3.76Å; A27-F93 HydrophobicContact CB-CE1 3.98Å; A27-F93 HydrophobicContact CB-CG 4.18Å
28	K	94.9	Very high	89.2	Confident	91 Å²	91	66.3 Å²	66.3	40%	0.396	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.1	176.1	179	145	-81.1	143.5	0	110.8	G13 D15 K30 V91 V92	G13-K28 VanDerWaalsContact O-CE 3.22Å; G13-K28 WeakPolarHBondContact O-CE 3.41Å; D15-K28 WeakPolarHBondContact OD1-CE 3.43Å; D15-K28 IonicContact OD1-NZ 2.82Å; D15-K28 PolarHBondContact OD1-NZ 2.58Å; D15-K28 WeakPolarHBondContact OD2-CE 3.39Å; D15-K28 IonicContact OD2-NZ 3.76Å; D15-K28 PolarHBondContact OD2-NZ 2.65Å; K28-K30 PolarHBondContact O-N 3.32Å; K28-V91 CarbonylContact O-C 3.46Å; K28-V91 VanDerWaalsContact O-CA 3.31Å; K28-V91 WeakPolarHBondContact O-CA 3.17Å; K28-V92 PolarHBondContact N-O 3.49Å; K28-V92 PolarHBondContact O-N 3.06Å
29	I	95	Very high	89.1	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	115.3	176.6	-57.1	-177.5	0	0	0	109.5	L10 T11 G13 T14 V16 V32 Y89 V91 L106	L10-I29 HydrophobicContact CB-CD1 3.48Å; L10-I29 VanDerWaalsContact CB-CD1 3.48Å; L10-I29 HydrophobicContact CD1-CD1 3.74Å; L10-I29 HydrophobicContact CG-CD1 4.27Å; T11-I29 WeakPolarHBondContact O-CB 3.4Å; T11-I29 WeakPolarHBondContact O-CG2 3.32Å; G13-I29 PolarHBondContact N-O 3.49Å; T14-I29 PolarHBondContact O-N 2.92Å; V16-I29 HydrophobicContact CG1-CD1 3.9Å; V16-I29 HydrophobicContact CG1-CG1 4.07Å; V16-I29 HydrophobicContact CG2-CG1 3.91Å; I29-V32 HydrophobicContact CG2-CG2 3.47Å; I29-V32 VanDerWaalsContact CG2-CG2 3.47Å; I29-Y89 HydrophobicContact CD1-CD1 3.87Å; I29-Y89 HydrophobicContact CD1-CE1 4.33Å; I29-Y89 HydrophobicContact CG2-CD1 4.16Å; I29-V91 HydrophobicContact CG1-CG1 4.09Å; I29-L106 HydrophobicContact CD1-CD1 4.44Å
30	K	94.1	Very high	89.3	Confident	100 Å²	100	65.6 Å²	65.6	44%	0.435	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-39.6	178.6	177.6	-173.2	172.6	-174.1	0	112.7	V12 K28 T90 V92 E98	V12-K30 VanDerWaalsContact CG1-O 3.29Å; V12-K30 WeakPolarHBondContact CG1-O 3.4Å; K28-K30 PolarHBondContact O-N 3.32Å; K30-T90 PolarHBondContact N-O 3.43Å; K30-V92 HydrophobicContact CB-CG2 3.69Å; K30-V92 HydrophobicContact CD-CG2 3.61Å; K30-V92 HydrophobicContact CG-CG2 4.19Å; K30-E98 WeakPolarHBondContact CD-OE1 3.25Å; K30-E98 WeakPolarHBondContact CD-OE2 3.44Å; K30-E98 IonicContact NZ-OE1 2.69Å; K30-E98 PolarHBondContact NZ-OE1 3.25Å; K30-E98 IonicContact NZ-OE2 3.75Å; K30-E98 PolarHBondContact NZ-OE2 3.38Å
31	T	91.2	Very high	89.7	Confident	66 Å²	66	65.8 Å²	65.8	41%	0.405	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.3	173	80.3	0	0	0	0	111.7	T90	T31-T90 PolarHBondContact N-O 3.31Å; T31-T90 VanDerWaalsContact N-O 3.16Å; T31-T90 PolarHBondContact O-N 3.45Å; T31-T90 WeakPolarHBondContact OG1-CB 3.47Å; T31-T90 PolarHBondContact OG1-OG1 3.21Å
32	V	93	Very high	90.2	Very high	37 Å²	37	55 Å²	55	22%	0.224	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115.8	175.6	-173.3	0	0	0	0	109.4	V12 I29 R34 W88 Y89	V12-V32 HydrophobicContact CG2-CB 4.49Å; V12-V32 HydrophobicContact CG2-CG2 3.91Å; I29-V32 HydrophobicContact CG2-CG2 3.47Å; I29-V32 VanDerWaalsContact CG2-CG2 3.47Å; V32-R34 PolarHBondContact O-N 3.24Å; V32-W88 WeakPolarHBondContact CA-O 3.44Å; V32-Y89 HydrophobicContact CB-CD1 4.3Å; V32-Y89 HydrophobicContact CB-CE1 4.37Å; V32-Y89 HydrophobicContact CG1-CD1 3.83Å; V32-Y89 HydrophobicContact CG1-CE1 3.54Å; V32-Y89 HydrophobicContact CG2-CD1 3.69Å; V32-Y89 HydrophobicContact CG2-CE1 3.9Å
33	K	90.9	Very high	90.6	Very high	145 Å²	145	56 Å²	56	63%	0.63	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	87.1	164.5	-174.1	176.5	-178.5	177.4	0	107.5	L35 S87 W88	K33-L35 PolarHBondContact O-N 3.44Å; K33-S87 WeakPolarHBondContact O-CA 3.46Å; K33-W88 HydrophobicContact CB-CB 4.35Å; K33-W88 PolarHBondContact N-O 2.84Å; K33-W88 PolarHBondContact O-N 3.17Å
34	R	87.1	Confident	90.5	Very high	103 Å²	103	60.3 Å²	60.3	39%	0.389	28%	0.283	S	S	.	.			trans	-60.2	126.3	-177.6	-169.2	176.8	79.4	-173.4	7.3	110.5	Y9 V32 V36 D53 S87	Y9-R34 HydrophobicContact CD1-CG 4.23Å; Y9-R34 HydrophobicContact CD2-CG 4.15Å; Y9-R34 VanDerWaalsContact CE1-CD 3.41Å; Y9-R34 HydrophobicContact CE1-CG 4.45Å; Y9-R34 HydrophobicContact CE2-CG 4.38Å; Y9-R34 HydrophobicContact CG-CG 4.08Å; Y9-R34 VanDerWaalsContact CZ-CD 3.41Å; Y9-R34 PolarHBondContact OH-NH1 3.04Å; V32-R34 PolarHBondContact O-N 3.24Å; R34-V36 HydrophobicContact CG-CG2 4.17Å; R34-D53 IonicContact CZ-OD1 3.66Å; R34-D53 IonicContact CZ-OD2 3.62Å; R34-D53 IonicContact NE-OD1 2.68Å; R34-D53 IonicContact NE-OD2 2.62Å; R34-D53 PolarHBondContact NE-OD2 3.16Å; R34-D53 IonicContact NH2-OD1 3.99Å; R34-D53 PolarHBondContact NH2-OD1 2.99Å; R34-D53 IonicContact NH2-OD2 3.59Å; R34-D53 PolarHBondContact NH2-OD2 3.11Å; R34-S87 WeakPolarHBondContact CA-OG 3.4Å
35	L	86.3	Confident	90.2	Very high	53 Å²	53	62 Å²	62	28%	0.277	30%	0.295	S	S	.	.			trans	-146.6	80.7	174.8	-68.3	176.5	0	0	0	108.3	K33 A86 S87	K33-L35 PolarHBondContact O-N 3.44Å; L35-A86 CarbonylContact O-C 3.59Å; L35-A86 VanDerWaalsContact O-C 3.23Å; L35-A86 VanDerWaalsContact O-CA 3.26Å; L35-A86 WeakPolarHBondContact O-CA 3.44Å; L35-A86 WeakPolarHBondContact O-CB 3.29Å; L35-A86 PolarHBondContact O-N 2.86Å; L35-S87 PolarHBondContact N-OG 2.91Å; L35-S87 PolarHBondContact O-N 3.31Å
36	V	88.9	Confident	89.9	Confident	1 Å²	1	65 Å²	65	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.6	173.8	-174.4	0	0	0	0	108.5	Y9 R34 V38 D53 L83	Y9-V36 HydrophobicContact CD1-CG2 4.08Å; R34-V36 HydrophobicContact CG-CG2 4.17Å; V36-V38 HydrophobicContact CG1-CG2 4.18Å; V36-D53 HydrophobicContact CB-CB 3.95Å; V36-D53 PolarHBondContact O-N 2.87Å; V36-L83 HydrophobicContact CG1-CD2 3.98Å
37	K	89.7	Confident	89.6	Confident	100 Å²	100	64.6 Å²	64.6	44%	0.435	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.4	168.3	-73.7	-170.6	170.5	-164.5	0	108.8	L50 T84 A86	K37-L50 HydrophobicContact CB-CD1 4.27Å; K37-L50 HydrophobicContact CD-CD2 4.39Å; K37-T84 PolarHBondContact N-O 3.47Å; K37-T84 PolarHBondContact O-N 3.37Å; K37-A86 HydrophobicContact CG-CB 4.42Å
38	V	91.6	Very high	89.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	109.1	-174.6	-168.7	0	0	0	0	108.1	V36 V40 V51 V56 L60 I80 L83	V36-V38 HydrophobicContact CG1-CG2 4.18Å; V38-V40 HydrophobicContact CG1-CG1 3.67Å; V38-V40 PolarHBondContact O-N 3.27Å; V38-V51 HydrophobicContact CB-CG2 4.24Å; V38-V51 PolarHBondContact N-O 2.92Å; V38-V51 PolarHBondContact O-N 3.17Å; V38-V56 HydrophobicContact CB-CG2 3.98Å; V38-V56 HydrophobicContact CG1-CG2 4.16Å; V38-V56 HydrophobicContact CG2-CG2 3.95Å; V38-L60 HydrophobicContact CG2-CD2 4.1Å; V38-I80 HydrophobicContact CG1-CB 4.35Å; V38-I80 HydrophobicContact CG1-CD1 3.91Å; V38-I80 HydrophobicContact CG1-CG1 3.79Å; V38-I80 HydrophobicContact CG1-CG2 3.82Å; V38-L83 HydrophobicContact CB-CD2 4.37Å; V38-L83 HydrophobicContact CG1-CD2 3.96Å; V38-L83 HydrophobicContact CG2-CD2 3.87Å
39	K	91.6	Very high	89.2	Confident	82 Å²	82	66.4 Å²	66.4	36%	0.357	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	115	165.7	-172.2	178.2	-179.9	176.3	0	107	T48 Q49 L50 S81 K82	K39-T48 WeakPolarHBondContact CE-OG1 3.38Å; K39-T48 PolarHBondContact NZ-OG1 2.96Å; K39-Q49 WeakPolarHBondContact CA-O 3.34Å; K39-L50 HydrophobicContact CB-CD1 4.21Å; K39-S81 PolarHBondContact O-N 3.28Å; K39-K82 HydrophobicContact CB-CB 4.09Å; K39-K82 PolarHBondContact N-O 3.43Å; K39-K82 PolarHBondContact O-N 2.78Å
40	V	92.5	Very high	89	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	157.5	174.1	-63.2	0	0	0	0	110.7	V38 L42 T48 Q49 V51 V66 T68 A78 I79 I80	V38-V40 HydrophobicContact CG1-CG1 3.67Å; V38-V40 PolarHBondContact O-N 3.27Å; V40-L42 HydrophobicContact CG2-CD1 3.77Å; V40-T48 CarbonylContact O-C 3.6Å; V40-T48 WeakPolarHBondContact O-CA 3.31Å; V40-Q49 HydrophobicContact CG2-CB 4.09Å; V40-Q49 WeakPolarHBondContact CG2-O 3.27Å; V40-Q49 PolarHBondContact N-O 2.8Å; V40-Q49 PolarHBondContact O-N 3.31Å; V40-V51 HydrophobicContact CG1-CG2 4.31Å; V40-V51 HydrophobicContact CG2-CG2 4.23Å; V40-V66 HydrophobicContact CG1-CG2 4.22Å; V40-T68 HydrophobicContact CB-CG2 4.2Å; V40-T68 HydrophobicContact CG1-CG2 3.69Å; V40-T68 HydrophobicContact CG2-CG2 3.85Å; V40-A78 HydrophobicContact CB-CB 3.83Å; V40-A78 HydrophobicContact CG1-CB 4.49Å; V40-A78 HydrophobicContact CG2-CB 4.05Å; V40-I79 CarbonylContact C-O 3.58Å; V40-I79 VanDerWaalsContact CA-O 3.27Å; V40-I79 WeakPolarHBondContact CA-O 3.16Å; V40-I80 HydrophobicContact CG1-CG1 4.15Å
41	L	91.3	Very high	88.8	Confident	57 Å²	57	67.2 Å²	67.2	30%	0.298	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.6	169	-179.3	145.5	0	0	0	107.8	T47 T48 A78 I79	L41-T47 WeakPolarHBondContact CA-O 3.42Å; L41-T48 HydrophobicContact CB-CG2 4.34Å; L41-T48 HydrophobicContact CD1-CG2 4.14Å; L41-T48 HydrophobicContact CG-CG2 4.41Å; L41-A78 CarbonylContact O-C 3.49Å; L41-A78 VanDerWaalsContact O-CA 3.22Å; L41-A78 WeakPolarHBondContact O-CA 3.37Å; L41-A78 WeakPolarHBondContact O-CB 2.97Å; L41-I79 PolarHBondContact N-O 3.16Å; L41-I79 PolarHBondContact O-N 3.02Å
42	L	90.9	Very high	88.8	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.037	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130	-175	-86.4	68.3	0	0	0	109.6	V40 Q44 N46 T47 Q49 T70 Q76 A78	V40-L42 HydrophobicContact CG2-CD1 3.77Å; L42-Q44 VanDerWaalsContact C-N 3.33Å; L42-Q44 PolarHBondContact O-N 3.45Å; L42-N46 WeakPolarHBondContact O-CA 3.39Å; L42-N46 PolarHBondContact O-N 2.62Å; L42-T47 PolarHBondContact N-O 3.41Å; L42-Q49 HydrophobicContact CD1-CB 3.64Å; L42-T70 HydrophobicContact CD2-CG2 4.06Å; L42-Q76 VanDerWaalsContact CB-OE1 3.32Å; L42-A78 HydrophobicContact CD1-CB 4.33Å; L42-A78 HydrophobicContact CG-CB 4.4Å
43	K	86.9	Confident	88.4	Confident	78 Å²	78	67.7 Å²	67.7	34%	0.339	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.9	-172.5	-75.6	-165.6	-179.9	-179	0	114.7	E77 I79	K43-E77 VanDerWaalsContact CB-O 3.3Å; K43-E77 WeakPolarHBondContact CB-O 3.45Å; K43-E77 HydrophobicContact CD-CB 4.37Å; K43-E77 HydrophobicContact CD-CG 3.89Å; K43-E77 WeakPolarHBondContact CE-OE1 3.32Å; K43-E77 PolarHBondContact N-O 2.7Å; K43-E77 VanDerWaalsContact NZ-CD 3.28Å; K43-E77 IonicContact NZ-OE1 2.76Å; K43-E77 PolarHBondContact NZ-OE1 2.97Å; K43-E77 IonicContact NZ-OE2 2.71Å; K43-I79 HydrophobicContact CG-CG1 4.32Å
44	Q	79.4	Confident	88.2	Confident	146 Å²	146	66.2 Å²	66.2	68%	0.682	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-41.9	-178	-62	-176	-16.8	0	0	110.8	L42 Q76	L42-Q44 VanDerWaalsContact C-N 3.33Å; L42-Q44 PolarHBondContact O-N 3.45Å; Q44-Q76 HydrophobicContact CG-CG 4.03Å; Q44-Q76 VanDerWaalsContact OE1-CD 3.31Å; Q44-Q76 VanDerWaalsContact OE1-NE2 3.09Å
45	D	82.2	Confident	88.3	Confident	97 Å²	97	64 Å²	64	52%	0.519	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-1.9	-169.3	-42.8	-60.3	0	0	0	113.5	T47 Q76	D45-T47 HydrophobicContact CB-CG2 3.87Å; D45-T47 PolarHBondContact O-N 2.77Å; D45-Q76 PolarHBondContact OD2-NE2 3.24Å; D45-Q76 VanDerWaalsContact OD2-NE2 3.14Å
46	N	83.9	Confident	88.4	Confident	118 Å²	118	62.2 Å²	62.2	63%	0.631	31%	0.314	S	S	*	.			trans	54	5.4	-167.8	-74.3	-30.8	0	0	0	115.6	L42	L42-N46 WeakPolarHBondContact O-CA 3.39Å; L42-N46 PolarHBondContact O-N 2.62Å
47	T	86.7	Confident	88.3	Confident	74 Å²	74	67.5 Å²	67.5	45%	0.454	34%	0.337	S	S	.	.			trans	-65.5	143.3	180	55.8	0	0	0	0	111.2	L41 L42 D45	L41-T47 WeakPolarHBondContact CA-O 3.42Å; L42-T47 PolarHBondContact N-O 3.41Å; D45-T47 HydrophobicContact CB-CG2 3.87Å; D45-T47 PolarHBondContact O-N 2.77Å
48	T	89.6	Confident	88.2	Confident	74 Å²	74	64.7 Å²	64.7	45%	0.454	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.1	175.7	73.2	0	0	0	0	111.9	K39 V40 L41	K39-T48 WeakPolarHBondContact CE-OG1 3.38Å; K39-T48 PolarHBondContact NZ-OG1 2.96Å; V40-T48 CarbonylContact O-C 3.6Å; V40-T48 WeakPolarHBondContact O-CA 3.31Å; L41-T48 HydrophobicContact CB-CG2 4.34Å; L41-T48 HydrophobicContact CD1-CG2 4.14Å; L41-T48 HydrophobicContact CG-CG2 4.41Å
49	Q	89.9	Confident	87.9	Confident	56 Å²	56	68.5 Å²	68.5	26%	0.262	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.9	179.5	-161.6	-179.6	39.7	0	0	110.8	K39 V40 L42 V51	K39-Q49 WeakPolarHBondContact CA-O 3.34Å; V40-Q49 HydrophobicContact CG2-CB 4.09Å; V40-Q49 WeakPolarHBondContact CG2-O 3.27Å; V40-Q49 PolarHBondContact N-O 2.8Å; V40-Q49 PolarHBondContact O-N 3.31Å; L42-Q49 HydrophobicContact CD1-CB 3.64Å; Q49-V51 HydrophobicContact CG-CG1 4.03Å
50	L	90.6	Very high	87.7	Confident	112 Å²	112	66.2 Å²	66.2	59%	0.586	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	103	173.2	-173.4	69.8	0	0	0	109.7	K37 K39	K37-L50 HydrophobicContact CB-CD1 4.27Å; K37-L50 HydrophobicContact CD-CD2 4.39Å; K39-L50 HydrophobicContact CB-CD1 4.21Å
51	V	91	Very high	87.4	Confident	6 Å²	6	75.2 Å²	75.2	4%	0.036	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	164.9	178.9	-65.2	0	0	0	0	111.1	V38 V40 Q49 Q55 V56 T68	V38-V51 HydrophobicContact CB-CG2 4.24Å; V38-V51 PolarHBondContact N-O 2.92Å; V38-V51 PolarHBondContact O-N 3.17Å; V40-V51 HydrophobicContact CG1-CG2 4.31Å; V40-V51 HydrophobicContact CG2-CG2 4.23Å; Q49-V51 HydrophobicContact CG-CG1 4.03Å; V51-Q55 HydrophobicContact CB-CB 4.32Å; V51-V56 HydrophobicContact CB-CG2 4.47Å; V51-V56 HydrophobicContact CG2-CG2 3.42Å; V51-V56 VanDerWaalsContact CG2-CG2 3.42Å; V51-T68 HydrophobicContact CG2-CG2 3.93Å
52	Q	89.9	Confident	87.2	Confident	88 Å²	88	77 Å²	77	41%	0.411	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	157.6	171.7	-69.8	-180	73.4	0	0	110.5	D54 Q55 V56	Q52-D54 WeakPolarHBondContact CB-OD1 3.47Å; Q52-D54 PolarHBondContact O-N 2.88Å; Q52-D54 VanDerWaalsContact O-N 3.12Å; Q52-Q55 WeakPolarHBondContact O-CA 3.41Å; Q52-Q55 WeakPolarHBondContact O-CB 3.44Å; Q52-Q55 PolarHBondContact O-N 2.88Å; Q52-V56 PolarHBondContact O-N 3.31Å
53	D	86.1	Confident	87	Confident	25 Å²	25	79.3 Å²	79.3	13%	0.134	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-54.8	-28	-179.3	133.9	78.4	0	0	0	114.3	R34 V36 Q55 V56 L60	R34-D53 IonicContact CZ-OD1 3.66Å; R34-D53 IonicContact CZ-OD2 3.62Å; R34-D53 IonicContact NE-OD1 2.68Å; R34-D53 IonicContact NE-OD2 2.62Å; R34-D53 PolarHBondContact NE-OD2 3.16Å; R34-D53 IonicContact NH2-OD1 3.99Å; R34-D53 PolarHBondContact NH2-OD1 2.99Å; R34-D53 IonicContact NH2-OD2 3.59Å; R34-D53 PolarHBondContact NH2-OD2 3.11Å; V36-D53 HydrophobicContact CB-CB 3.95Å; V36-D53 PolarHBondContact O-N 2.87Å; D53-Q55 PolarHBondContact O-N 3.12Å; D53-V56 PolarHBondContact O-N 2.95Å; D53-L60 HydrophobicContact CB-CD1 4.08Å; D53-L60 HydrophobicContact CB-CD2 4.48Å; D53-L60 WeakPolarHBondContact OD1-CD1 3.4Å
54	D	86.8	Confident	87.1	Confident	113 Å²	113	76.4 Å²	76.4	60%	0.604	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-68.5	-20.1	174.3	75	-38.8	0	0	0	114.3	Q52	Q52-D54 WeakPolarHBondContact CB-OD1 3.47Å; Q52-D54 PolarHBondContact O-N 2.88Å; Q52-D54 VanDerWaalsContact O-N 3.12Å
55	Q	87.4	Confident	87.6	Confident	56 Å²	56	73.7 Å²	73.7	26%	0.262	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-101.2	-1.7	177.7	-71.6	151.9	86.1	0	0	112.6	V51 Q52 D53 T68 R69	V51-Q55 HydrophobicContact CB-CB 4.32Å; Q52-Q55 WeakPolarHBondContact O-CA 3.41Å; Q52-Q55 WeakPolarHBondContact O-CB 3.44Å; Q52-Q55 PolarHBondContact O-N 2.88Å; D53-Q55 PolarHBondContact O-N 3.12Å; Q55-T68 WeakPolarHBondContact O-CA 3.45Å; Q55-R69 HydrophobicContact CB-CB 4.18Å; Q55-R69 HydrophobicContact CG-CB 4.37Å; Q55-R69 PolarHBondContact O-N 3.4Å
56	V	89	Confident	88.1	Confident	16 Å²	16	69.3 Å²	69.3	10%	0.097	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.1	177.7	-179.1	0	0	0	0	110.4	V38 V51 Q52 D53 L60 V66 T68	V38-V56 HydrophobicContact CB-CG2 3.98Å; V38-V56 HydrophobicContact CG1-CG2 4.16Å; V38-V56 HydrophobicContact CG2-CG2 3.95Å; V51-V56 HydrophobicContact CB-CG2 4.47Å; V51-V56 HydrophobicContact CG2-CG2 3.42Å; V51-V56 VanDerWaalsContact CG2-CG2 3.42Å; Q52-V56 PolarHBondContact O-N 3.31Å; D53-V56 PolarHBondContact O-N 2.95Å; V56-L60 HydrophobicContact CB-CD2 4.24Å; V56-L60 HydrophobicContact CG1-CD2 3.92Å; V56-V66 HydrophobicContact CG1-CB 3.79Å; V56-V66 HydrophobicContact CG1-CG1 4Å; V56-V66 HydrophobicContact CG1-CG2 3.76Å; V56-T68 HydrophobicContact CG2-CG2 4.02Å
57	K	87.6	Confident	88.5	Confident	112 Å²	112	67.1 Å²	67.1	49%	0.487	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	91.9	177.6	171.6	168.6	169.2	-80.7	0	109.5	E67 F75	K57-E67 HydrophobicContact CB-CB 4.08Å; K57-E67 HydrophobicContact CG-CB 4.43Å; K57-E67 PolarHBondContact N-O 3.23Å; K57-E67 IonicContact NZ-OE1 2.83Å; K57-E67 PolarHBondContact NZ-OE1 2.95Å; K57-E67 IonicContact NZ-OE2 2.72Å; K57-E67 PolarHBondContact NZ-OE2 3.49Å; K57-E67 PolarHBondContact O-N 2.82Å; K57-F75 HydrophobicContact CB-CE1 4.49Å
58	G	87.1	Confident	88.8	Confident	41 Å²	41	63.6 Å²	63.6	42%	0.423	35%	0.346	S	S	.	.	S	Bend	trans	163.9	-175.5	176.6	0	0	0	0	0	112.2	L60	G58-L60 PolarHBondContact O-N 3.3Å
59	P	85.4	Confident	88.7	Confident	80 Å²	80	65.4 Å²	65.4	52%	0.519	35%	0.345	S	S	.	.			trans	-72.1	121.2	178.3	27.6	-31.2	0	0	0	111.1	R61 A64	P59-R61 VanDerWaalsContact C-N 3.28Å; P59-R61 PolarHBondContact O-N 3Å; P59-A64 HydrophobicContact CG-CB 4.12Å; P59-A64 VanDerWaalsContact O-CB 3.31Å; P59-A64 WeakPolarHBondContact O-CB 3.45Å
60	L	86.6	Confident	88.3	Confident	35 Å²	35	63.9 Å²	63.9	18%	0.183	34%	0.339	C	S	.	.			trans	-70.5	79.4	175.1	-61.3	178.8	0	0	0	111.4	V38 D53 V56 G58 I80 L83	V38-L60 HydrophobicContact CG2-CD2 4.1Å; D53-L60 HydrophobicContact CB-CD1 4.08Å; D53-L60 HydrophobicContact CB-CD2 4.48Å; D53-L60 WeakPolarHBondContact OD1-CD1 3.4Å; V56-L60 HydrophobicContact CB-CD2 4.24Å; V56-L60 HydrophobicContact CG1-CD2 3.92Å; G58-L60 PolarHBondContact O-N 3.3Å; L60-I80 HydrophobicContact CD2-CD1 4.4Å; L60-L83 HydrophobicContact CB-CD2 4.36Å; L60-L83 HydrophobicContact CD2-CD2 4.45Å; L60-L83 WeakPolarHBondContact O-CD1 3.39Å
61	R	86.3	Confident	87.7	Confident	188 Å²	188	64.7 Å²	64.7	71%	0.709	36%	0.355	S	S	*	.	S	Bend	trans	-137.3	142.4	172.2	-65	-178.1	174.6	-176.5	-5.8	109.3	P59 A64 I80	P59-R61 VanDerWaalsContact C-N 3.28Å; P59-R61 PolarHBondContact O-N 3Å; R61-A64 HydrophobicContact CB-CB 4.22Å; R61-A64 WeakPolarHBondContact O-CB 3.47Å; R61-A64 PolarHBondContact O-N 3.48Å; R61-I80 WeakPolarHBondContact O-CB 3.36Å
62	V	87.1	Confident	87.1	Confident	95 Å²	95	69.9 Å²	69.9	58%	0.576	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	138	173.6	178.3	0	0	0	0	109.3	A64 I80 S81 L83	V62-A64 VanDerWaalsContact C-N 3.26Å; V62-A64 PolarHBondContact O-N 2.98Å; V62-I80 HydrophobicContact CG2-CG2 4.43Å; V62-S81 WeakPolarHBondContact CG1-O 3.33Å; V62-L83 HydrophobicContact CG2-CB 4.26Å; V62-L83 HydrophobicContact CG2-CD1 4.17Å; V62-L83 HydrophobicContact CG2-CG 4.04Å
63	G	86.3	Confident	86.6	Confident	55 Å²	55	67.9 Å²	67.9	57%	0.567	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-3.9	-171.1	0	0	0	0	0	115	I80	G63-I80 PolarHBondContact N-O 2.99Å
64	A	89.9	Confident	86.5	Confident	17 Å²	17	69.3 Å²	69.3	14%	0.14	40%	0.397	C	S	.	.			trans	-75	140.6	176.3	0	0	0	0	0	112.3	P59 R61 V62 V66 I79 I80	P59-A64 HydrophobicContact CG-CB 4.12Å; P59-A64 VanDerWaalsContact O-CB 3.31Å; P59-A64 WeakPolarHBondContact O-CB 3.45Å; R61-A64 HydrophobicContact CB-CB 4.22Å; R61-A64 WeakPolarHBondContact O-CB 3.47Å; R61-A64 PolarHBondContact O-N 3.48Å; V62-A64 VanDerWaalsContact C-N 3.26Å; V62-A64 PolarHBondContact O-N 2.98Å; A64-V66 HydrophobicContact CB-CG1 4.41Å; A64-I79 WeakPolarHBondContact O-CA 3.46Å; A64-I80 HydrophobicContact CB-CD1 4.49Å; A64-I80 PolarHBondContact O-N 3.01Å
65	I	90.6	Very high	86.6	Confident	89 Å²	89	68.4 Å²	68.4	46%	0.456	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.4	165.3	-65.7	165.7	0	0	0	108.5	E77 A78 I79	I65-E77 HydrophobicContact CG2-CG 3.76Å; I65-E77 WeakPolarHBondContact CG2-OE1 3.26Å; I65-A78 WeakPolarHBondContact CA-O 3.34Å; I65-I79 HydrophobicContact CG1-CG1 4.26Å
66	V	92.7	Very high	86.7	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.03	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.3	-179.1	-62.3	0	0	0	0	110.6	V40 V56 A64 T68 A78 I80	V40-V66 HydrophobicContact CG1-CG2 4.22Å; V56-V66 HydrophobicContact CG1-CB 3.79Å; V56-V66 HydrophobicContact CG1-CG1 4Å; V56-V66 HydrophobicContact CG1-CG2 3.76Å; A64-V66 HydrophobicContact CB-CG1 4.41Å; V66-T68 HydrophobicContact CG2-CG2 3.98Å; V66-A78 PolarHBondContact N-O 3.28Å; V66-A78 PolarHBondContact O-N 3.46Å; V66-A78 VanDerWaalsContact O-O 3.06Å; V66-I80 HydrophobicContact CG1-CD1 3.68Å; V66-I80 HydrophobicContact CG1-CG1 3.99Å; V66-I80 HydrophobicContact CG2-CD1 4.17Å; V66-I80 HydrophobicContact CG2-CG1 3.7Å
67	E	92.4	Very high	86.9	Confident	72 Å²	72	70.2 Å²	70.2	34%	0.336	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.6	166	-71.9	165.9	-128.1	0	0	109.5	K57 F75 Q76	K57-E67 HydrophobicContact CB-CB 4.08Å; K57-E67 HydrophobicContact CG-CB 4.43Å; K57-E67 PolarHBondContact N-O 3.23Å; K57-E67 IonicContact NZ-OE1 2.83Å; K57-E67 PolarHBondContact NZ-OE1 2.95Å; K57-E67 IonicContact NZ-OE2 2.72Å; K57-E67 PolarHBondContact NZ-OE2 3.49Å; K57-E67 PolarHBondContact O-N 2.82Å; E67-F75 HydrophobicContact CB-CB 4.33Å; E67-F75 HydrophobicContact CB-CD1 4.24Å; E67-Q76 CarbonylContact C-O 3.56Å; E67-Q76 WeakPolarHBondContact CA-O 3.48Å
68	T	91.4	Very high	87.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.6	176.2	52.5	0	0	0	0	112.1	V40 V51 Q55 V56 V66 T70 F75 Q76 A78	V40-T68 HydrophobicContact CB-CG2 4.2Å; V40-T68 HydrophobicContact CG1-CG2 3.69Å; V40-T68 HydrophobicContact CG2-CG2 3.85Å; V51-T68 HydrophobicContact CG2-CG2 3.93Å; Q55-T68 WeakPolarHBondContact O-CA 3.45Å; V56-T68 HydrophobicContact CG2-CG2 4.02Å; V66-T68 HydrophobicContact CG2-CG2 3.98Å; T68-T70 PolarHBondContact O-N 3.31Å; T68-F75 WeakPolarHBondContact O-CA 3.39Å; T68-Q76 PolarHBondContact N-O 2.94Å; T68-Q76 PolarHBondContact O-N 3.01Å; T68-A78 HydrophobicContact CG2-CB 4.25Å
69	R	88.7	Confident	87.3	Confident	113 Å²	113	65.9 Å²	65.9	43%	0.426	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.6	177.5	-169	-173.7	-61.3	-179.2	7.8	111.2	Q55 S74 F75	Q55-R69 HydrophobicContact CB-CB 4.18Å; Q55-R69 HydrophobicContact CG-CB 4.37Å; Q55-R69 PolarHBondContact O-N 3.4Å; R69-S74 VanDerWaalsContact CA-O 3.29Å; R69-S74 WeakPolarHBondContact CA-O 3.14Å; R69-S74 WeakPolarHBondContact CG-O 3.47Å; R69-F75 HydrophobicContact CB-CD1 4.26Å; R69-F75 HydrophobicContact CB-CE1 4Å; R69-F75 HydrophobicContact CB-CZ 4.42Å
70	T	81.7	Confident	87.7	Confident	23 Å²	23	62.1 Å²	62.1	14%	0.141	34%	0.343	C	S	.	.			trans	-85.3	169.2	173.2	37.3	0	0	0	0	111.6	L42 T68 D72 G73 S74 Q76	L42-T70 HydrophobicContact CD2-CG2 4.06Å; T68-T70 PolarHBondContact O-N 3.31Å; T70-D72 WeakPolarHBondContact CB-OD1 3.37Å; T70-D72 PolarHBondContact O-N 3.05Å; T70-D72 PolarHBondContact OG1-OD1 3.07Å; T70-G73 WeakPolarHBondContact O-CA 3.14Å; T70-G73 PolarHBondContact O-N 3.37Å; T70-S74 PolarHBondContact N-O 3.05Å; T70-S74 VanDerWaalsContact N-O 3.09Å; T70-S74 PolarHBondContact OG1-O 3.28Å; T70-S74 PolarHBondContact OG1-OG 2.85Å; T70-S74 VanDerWaalsContact OG1-OG 3.08Å; T70-Q76 HydrophobicContact CG2-CB 4.18Å
71	S	78.2	Confident	87.9	Confident	130 Å²	130	63.5 Å²	63.5	91%	0.909	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.3	-172.4	43.5	0	0	0	0	114.6
72	D	78.7	Confident	88	Confident	114 Å²	114	60.6 Å²	60.6	61%	0.61	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11	169	69	-29.4	0	0	0	113.4	T70 S74	T70-D72 WeakPolarHBondContact CB-OD1 3.37Å; T70-D72 PolarHBondContact O-N 3.05Å; T70-D72 PolarHBondContact OG1-OD1 3.07Å; D72-S74 VanDerWaalsContact CG-OG 3.25Å; D72-S74 PolarHBondContact OD1-N 3.04Å; D72-S74 PolarHBondContact OD1-OG 2.85Å; D72-S74 VanDerWaalsContact OD1-OG 3.11Å; D72-S74 WeakPolarHBondContact OD2-CB 3.31Å; D72-S74 PolarHBondContact OD2-OG 3.01Å
73	G	78.1	Confident	88.1	Confident	46 Å²	46	57.9 Å²	57.9	47%	0.474	33%	0.33	S	S	.	.	S	Bend	trans	84.5	3.3	-175.9	0	0	0	0	0	115	T70	T70-G73 WeakPolarHBondContact O-CA 3.14Å; T70-G73 PolarHBondContact O-N 3.37Å
74	S	84.7	Confident	88.3	Confident	55 Å²	55	58.4 Å²	58.4	39%	0.385	32%	0.322	S	S	.	.			trans	-77.9	179.7	169.7	77.1	0	0	0	0	111.2	R69 T70 D72	R69-S74 VanDerWaalsContact CA-O 3.29Å; R69-S74 WeakPolarHBondContact CA-O 3.14Å; R69-S74 WeakPolarHBondContact CG-O 3.47Å; T70-S74 PolarHBondContact N-O 3.05Å; T70-S74 VanDerWaalsContact N-O 3.09Å; T70-S74 PolarHBondContact OG1-O 3.28Å; T70-S74 PolarHBondContact OG1-OG 2.85Å; T70-S74 VanDerWaalsContact OG1-OG 3.08Å; D72-S74 VanDerWaalsContact CG-OG 3.25Å; D72-S74 PolarHBondContact OD1-N 3.04Å; D72-S74 PolarHBondContact OD1-OG 2.85Å; D72-S74 VanDerWaalsContact OD1-OG 3.11Å; D72-S74 WeakPolarHBondContact OD2-CB 3.31Å; D72-S74 PolarHBondContact OD2-OG 3.01Å
75	F	88.4	Confident	88.2	Confident	95 Å²	95	59.2 Å²	59.2	42%	0.417	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.3	178.6	-76	-89	0	0	0	108.9	K57 E67 T68 R69	K57-F75 HydrophobicContact CB-CE1 4.49Å; E67-F75 HydrophobicContact CB-CB 4.33Å; E67-F75 HydrophobicContact CB-CD1 4.24Å; T68-F75 WeakPolarHBondContact O-CA 3.39Å; R69-F75 HydrophobicContact CB-CD1 4.26Å; R69-F75 HydrophobicContact CB-CE1 4Å; R69-F75 HydrophobicContact CB-CZ 4.42Å
76	Q	89.5	Confident	88	Confident	22 Å²	22	56.5 Å²	56.5	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	150.8	176.3	-142.1	-160.1	78.3	0	0	110.4	L42 Q44 D45 E67 T68 T70	L42-Q76 VanDerWaalsContact CB-OE1 3.32Å; Q44-Q76 HydrophobicContact CG-CG 4.03Å; Q44-Q76 VanDerWaalsContact OE1-CD 3.31Å; Q44-Q76 VanDerWaalsContact OE1-NE2 3.09Å; D45-Q76 PolarHBondContact OD2-NE2 3.24Å; D45-Q76 VanDerWaalsContact OD2-NE2 3.14Å; E67-Q76 CarbonylContact C-O 3.56Å; E67-Q76 WeakPolarHBondContact CA-O 3.48Å; T68-Q76 PolarHBondContact N-O 2.94Å; T68-Q76 PolarHBondContact O-N 3.01Å; T70-Q76 HydrophobicContact CG2-CB 4.18Å
77	E	92.6	Very high	88	Confident	88 Å²	88	56.3 Å²	56.3	41%	0.411	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.9	175.7	-166.5	-172.3	179	0	0	110.2	K43 I65	K43-E77 VanDerWaalsContact CB-O 3.3Å; K43-E77 WeakPolarHBondContact CB-O 3.45Å; K43-E77 HydrophobicContact CD-CB 4.37Å; K43-E77 HydrophobicContact CD-CG 3.89Å; K43-E77 WeakPolarHBondContact CE-OE1 3.32Å; K43-E77 PolarHBondContact N-O 2.7Å; K43-E77 VanDerWaalsContact NZ-CD 3.28Å; K43-E77 IonicContact NZ-OE1 2.76Å; K43-E77 PolarHBondContact NZ-OE1 2.97Å; K43-E77 IonicContact NZ-OE2 2.71Å; I65-E77 HydrophobicContact CG2-CG 3.76Å; I65-E77 WeakPolarHBondContact CG2-OE1 3.26Å
78	A	92.5	Very high	87.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.2	-176.4	0	0	0	0	0	111.6	V40 L41 L42 I65 V66 T68	V40-A78 HydrophobicContact CB-CB 3.83Å; V40-A78 HydrophobicContact CG1-CB 4.49Å; V40-A78 HydrophobicContact CG2-CB 4.05Å; L41-A78 CarbonylContact O-C 3.49Å; L41-A78 VanDerWaalsContact O-CA 3.22Å; L41-A78 WeakPolarHBondContact O-CA 3.37Å; L41-A78 WeakPolarHBondContact O-CB 2.97Å; L42-A78 HydrophobicContact CD1-CB 4.33Å; L42-A78 HydrophobicContact CG-CB 4.4Å; I65-A78 WeakPolarHBondContact CA-O 3.34Å; V66-A78 PolarHBondContact N-O 3.28Å; V66-A78 PolarHBondContact O-N 3.46Å; V66-A78 VanDerWaalsContact O-O 3.06Å; T68-A78 HydrophobicContact CG2-CB 4.25Å
79	I	92.4	Very high	88.1	Confident	61 Å²	61	57.3 Å²	57.3	31%	0.313	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.7	176.8	-56.6	177.1	0	0	0	109	V40 L41 K43 A64 I65 S81	V40-I79 CarbonylContact C-O 3.58Å; V40-I79 VanDerWaalsContact CA-O 3.27Å; V40-I79 WeakPolarHBondContact CA-O 3.16Å; L41-I79 PolarHBondContact N-O 3.16Å; L41-I79 PolarHBondContact O-N 3.02Å; K43-I79 HydrophobicContact CG-CG1 4.32Å; A64-I79 WeakPolarHBondContact O-CA 3.46Å; I65-I79 HydrophobicContact CG1-CG1 4.26Å; I79-S81 PolarHBondContact O-N 2.89Å
80	I	92.4	Very high	88.4	Confident	1 Å²	1	53 Å²	53	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	106.5	175.8	-60.9	-176.8	0	0	0	109.8	V38 V40 L60 R61 V62 G63 A64 V66 L83	V38-I80 HydrophobicContact CG1-CB 4.35Å; V38-I80 HydrophobicContact CG1-CD1 3.91Å; V38-I80 HydrophobicContact CG1-CG1 3.79Å; V38-I80 HydrophobicContact CG1-CG2 3.82Å; V40-I80 HydrophobicContact CG1-CG1 4.15Å; L60-I80 HydrophobicContact CD2-CD1 4.4Å; R61-I80 WeakPolarHBondContact O-CB 3.36Å; V62-I80 HydrophobicContact CG2-CG2 4.43Å; G63-I80 PolarHBondContact N-O 2.99Å; A64-I80 HydrophobicContact CB-CD1 4.49Å; A64-I80 PolarHBondContact O-N 3.01Å; V66-I80 HydrophobicContact CG1-CD1 3.68Å; V66-I80 HydrophobicContact CG1-CG1 3.99Å; V66-I80 HydrophobicContact CG2-CD1 4.17Å; V66-I80 HydrophobicContact CG2-CG1 3.7Å; I80-L83 HydrophobicContact CD1-CD2 4.38Å; I80-L83 HydrophobicContact CG2-CD2 3.94Å; I80-L83 HydrophobicContact CG2-CG 3.84Å
81	S	91.3	Very high	89	Confident	64 Å²	64	51.9 Å²	51.9	45%	0.448	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-41.2	175	168.6	0	0	0	0	111.8	K39 V62 I79	K39-S81 PolarHBondContact O-N 3.28Å; V62-S81 WeakPolarHBondContact CG1-O 3.33Å; I79-S81 PolarHBondContact O-N 2.89Å
82	K	88.9	Confident	89.8	Confident	127 Å²	127	47.5 Å²	47.5	55%	0.552	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.5	132.2	-179.9	-172	172	-179.5	172.7	0	111.7	K39	K39-K82 HydrophobicContact CB-CB 4.09Å; K39-K82 PolarHBondContact N-O 3.43Å; K39-K82 PolarHBondContact O-N 2.78Å
83	L	89.6	Confident	90.5	Very high	39 Å²	39	42.4 Å²	42.4	20%	0.204	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.7	165	-67.8	168.9	0	0	0	109.4	A8 V36 V38 L60 V62 I80	A8-L83 HydrophobicContact CB-CD1 4.23Å; V36-L83 HydrophobicContact CG1-CD2 3.98Å; V38-L83 HydrophobicContact CB-CD2 4.37Å; V38-L83 HydrophobicContact CG1-CD2 3.96Å; V38-L83 HydrophobicContact CG2-CD2 3.87Å; L60-L83 HydrophobicContact CB-CD2 4.36Å; L60-L83 HydrophobicContact CD2-CD2 4.45Å; L60-L83 WeakPolarHBondContact O-CD1 3.39Å; V62-L83 HydrophobicContact CG2-CB 4.26Å; V62-L83 HydrophobicContact CG2-CD1 4.17Å; V62-L83 HydrophobicContact CG2-CG 4.04Å; I80-L83 HydrophobicContact CD1-CD2 4.38Å; I80-L83 HydrophobicContact CG2-CD2 3.94Å; I80-L83 HydrophobicContact CG2-CG 3.84Å
84	T	88.8	Confident	90.8	Very high	66 Å²	66	46.4 Å²	46.4	41%	0.405	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	113	174.2	-65.1	0	0	0	0	109.2	K37 A86	K37-T84 PolarHBondContact N-O 3.47Å; K37-T84 PolarHBondContact O-N 3.37Å; T84-A86 PolarHBondContact O-N 2.97Å
85	D	89.4	Confident	90.9	Very high	34 Å²	34	49.7 Å²	49.7	18%	0.182	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	108.6	177.6	-175.3	22.4	0	0	0	110.9	S87 Y89 R103	D85-S87 WeakPolarHBondContact OD1-CB 3.06Å; D85-S87 PolarHBondContact OD1-N 2.87Å; D85-S87 PolarHBondContact OD1-OG 2.86Å; D85-Y89 WeakPolarHBondContact OD2-CE2 3.23Å; D85-Y89 PolarHBondContact OD2-OH 3.14Å; D85-R103 HydrophobicContact CB-CB 4.38Å; D85-R103 HydrophobicContact CB-CG 4.34Å; D85-R103 VanDerWaalsContact OD2-CB 3.3Å; D85-R103 WeakPolarHBondContact OD2-CB 3.49Å; D85-R103 WeakPolarHBondContact OD2-CG 3.48Å
86	A	86.3	Confident	90.8	Very high	32 Å²	32	47.4 Å²	47.4	26%	0.264	26%	0.261	S	S	.	.			trans	-106.9	15.2	171.8	0	0	0	0	0	111.8	L35 K37 T84	L35-A86 CarbonylContact O-C 3.59Å; L35-A86 VanDerWaalsContact O-C 3.23Å; L35-A86 VanDerWaalsContact O-CA 3.26Å; L35-A86 WeakPolarHBondContact O-CA 3.44Å; L35-A86 WeakPolarHBondContact O-CB 3.29Å; L35-A86 PolarHBondContact O-N 2.86Å; K37-A86 HydrophobicContact CG-CB 4.42Å; T84-A86 PolarHBondContact O-N 2.97Å
87	S	90.9	Very high	90.8	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.			trans	-62.8	150.2	179.8	-52.2	0	0	0	0	112.1	K33 R34 L35 D85 Y89	K33-S87 WeakPolarHBondContact O-CA 3.46Å; R34-S87 WeakPolarHBondContact CA-OG 3.4Å; L35-S87 PolarHBondContact N-OG 2.91Å; L35-S87 PolarHBondContact O-N 3.31Å; D85-S87 WeakPolarHBondContact OD1-CB 3.06Å; D85-S87 PolarHBondContact OD1-N 2.87Å; D85-S87 PolarHBondContact OD1-OG 2.86Å; S87-Y89 WeakPolarHBondContact O-CD2 3.32Å; S87-Y89 WeakPolarHBondContact O-CE2 3.15Å
88	W	92.1	Very high	90.9	Very high	94 Å²	94	49.3 Å²	49.3	36%	0.356	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.2	171.7	-62.1	84.2	0	0	0	110	V32 K33 T100 L101 R102	V32-W88 WeakPolarHBondContact CA-O 3.44Å; K33-W88 HydrophobicContact CB-CB 4.35Å; K33-W88 PolarHBondContact N-O 2.84Å; K33-W88 PolarHBondContact O-N 3.17Å; W88-T100 HydrophobicContact CB-CG2 3.92Å; W88-T100 HydrophobicContact CE3-CG2 4.12Å; W88-L101 WeakPolarHBondContact CA-O 3.42Å; W88-R102 HydrophobicContact CD2-CG 4.09Å; W88-R102 HydrophobicContact CE3-CG 3.74Å; W88-R102 HydrophobicContact CH2-CG 4.13Å; W88-R102 VanDerWaalsContact CH2-NE 3.29Å; W88-R102 HydrophobicContact CZ2-CG 4.39Å; W88-R102 VanDerWaalsContact CZ2-NE 3.29Å; W88-R102 HydrophobicContact CZ3-CG 3.76Å
89	Y	94.5	Very high	90.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	112	-171.6	-64.1	-84.9	0	0	0	108.8	Y9 L10 I29 V32 D85 S87 V91 T100 L101 R103 L106	Y9-Y89 WeakPolarHBondContact CA-OH 3.15Å; Y9-Y89 WeakPolarHBondContact CB-OH 3.39Å; L10-Y89 HydrophobicContact CB-CD1 4.36Å; L10-Y89 HydrophobicContact CB-CE1 3.64Å; L10-Y89 HydrophobicContact CG-CE1 4.4Å; L10-Y89 PolarHBondContact N-OH 2.92Å; I29-Y89 HydrophobicContact CD1-CD1 3.87Å; I29-Y89 HydrophobicContact CD1-CE1 4.33Å; I29-Y89 HydrophobicContact CG2-CD1 4.16Å; V32-Y89 HydrophobicContact CB-CD1 4.3Å; V32-Y89 HydrophobicContact CB-CE1 4.37Å; V32-Y89 HydrophobicContact CG1-CD1 3.83Å; V32-Y89 HydrophobicContact CG1-CE1 3.54Å; V32-Y89 HydrophobicContact CG2-CD1 3.69Å; V32-Y89 HydrophobicContact CG2-CE1 3.9Å; D85-Y89 WeakPolarHBondContact OD2-CE2 3.23Å; D85-Y89 PolarHBondContact OD2-OH 3.14Å; S87-Y89 WeakPolarHBondContact O-CD2 3.32Å; S87-Y89 WeakPolarHBondContact O-CE2 3.15Å; Y89-V91 PolarHBondContact O-N 3Å; Y89-T100 CarbonylContact O-C 3.04Å; Y89-T100 WeakPolarHBondContact O-CA 3.31Å; Y89-L101 PolarHBondContact N-O 3.35Å; Y89-L101 PolarHBondContact O-N 3.44Å; Y89-R103 HydrophobicContact CE2-CB 4Å; Y89-L106 HydrophobicContact CD1-CD1 4.29Å; Y89-L106 HydrophobicContact CD2-CD1 3.95Å; Y89-L106 HydrophobicContact CG-CD1 3.66Å
90	T	94.6	Very high	90.9	Very high	22 Å²	22	55.1 Å²	55.1	14%	0.135	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.9	168.2	-52.7	0	0	0	0	108	K30 T31 E98 R99 T100	K30-T90 PolarHBondContact N-O 3.43Å; T31-T90 PolarHBondContact N-O 3.31Å; T31-T90 VanDerWaalsContact N-O 3.16Å; T31-T90 PolarHBondContact O-N 3.45Å; T31-T90 WeakPolarHBondContact OG1-CB 3.47Å; T31-T90 PolarHBondContact OG1-OG1 3.21Å; T90-E98 HydrophobicContact CG2-CB 4.42Å; T90-R99 WeakPolarHBondContact CA-O 3.14Å; T90-T100 PolarHBondContact OG1-OG1 3.06Å
91	V	95.1	Very high	90.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	150.4	175.6	-56.4	0	0	0	0	110.4	V16 A18 A27 K28 I29 Y89 F93 E98 R99 L101 L106	V16-V91 HydrophobicContact CG2-CG1 3.94Å; A18-V91 HydrophobicContact CB-CG2 3.92Å; A27-V91 HydrophobicContact CB-CB 3.88Å; A27-V91 HydrophobicContact CB-CG2 3.97Å; K28-V91 CarbonylContact O-C 3.46Å; K28-V91 VanDerWaalsContact O-CA 3.31Å; K28-V91 WeakPolarHBondContact O-CA 3.17Å; I29-V91 HydrophobicContact CG1-CG1 4.09Å; Y89-V91 PolarHBondContact O-N 3Å; V91-F93 HydrophobicContact CG2-CE2 3.98Å; V91-F93 HydrophobicContact CG2-CZ 4.11Å; V91-E98 WeakPolarHBondContact O-CA 3.4Å; V91-R99 PolarHBondContact N-O 2.68Å; V91-R99 PolarHBondContact O-N 3.49Å; V91-L101 HydrophobicContact CG2-CD1 4.06Å; V91-L106 HydrophobicContact CG1-CD1 4.08Å; V91-L106 HydrophobicContact CG1-CD2 3.85Å
92	V	94.9	Very high	90.9	Very high	37 Å²	37	60 Å²	60	22%	0.224	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.4	171.2	-179	0	0	0	0	107.4	A27 K28 K30 D97 E98	A27-V92 CarbonylContact C-O 3.5Å; A27-V92 WeakPolarHBondContact CA-O 3.36Å; A27-V92 WeakPolarHBondContact CB-O 3.24Å; K28-V92 PolarHBondContact N-O 3.49Å; K28-V92 PolarHBondContact O-N 3.06Å; K30-V92 HydrophobicContact CB-CG2 3.69Å; K30-V92 HydrophobicContact CD-CG2 3.61Å; K30-V92 HydrophobicContact CG-CG2 4.19Å; V92-D97 WeakPolarHBondContact CA-O 3.45Å; V92-E98 HydrophobicContact CG2-CG 4.02Å
93	F	92.9	Very high	90.9	Very high	7 Å²	7	55.5 Å²	55.5	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	163.1	173.3	-67.2	-84.7	0	0	0	110.9	A18 Y20 C25 E26 A27 V91 D95 G96 D97 R99	A18-F93 HydrophobicContact CB-CE1 3.6Å; A18-F93 HydrophobicContact CB-CZ 3.63Å; Y20-F93 HydrophobicContact CG-CE2 4.44Å; Y20-F93 HydrophobicContact CG-CZ 4.21Å; C25-F93 HydrophobicContact CB-CD1 3.76Å; C25-F93 HydrophobicContact CB-CE1 3.78Å; E26-F93 WeakPolarHBondContact O-CD1 3.41Å; A27-F93 HydrophobicContact CB-CD1 3.76Å; A27-F93 HydrophobicContact CB-CE1 3.98Å; A27-F93 HydrophobicContact CB-CG 4.18Å; V91-F93 HydrophobicContact CG2-CE2 3.98Å; V91-F93 HydrophobicContact CG2-CZ 4.11Å; F93-D95 WeakPolarHBondContact CB-OD1 3.2Å; F93-D95 PolarHBondContact O-N 2.82Å; F93-D95 VanDerWaalsContact O-N 3.13Å; F93-G96 PolarHBondContact O-N 3.29Å; F93-D97 HydrophobicContact CD2-CB 4.31Å; F93-D97 WeakPolarHBondContact CD2-O 3.31Å; F93-D97 PolarHBondContact N-O 3.4Å; F93-R99 HydrophobicContact CD2-CG 4.36Å; F93-R99 HydrophobicContact CE2-CB 3.93Å; F93-R99 HydrophobicContact CE2-CG 3.7Å
94	D	85.9	Confident	90.8	Very high	130 Å²	130	58.1 Å²	58.1	70%	0.695	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.6	-176.8	-61.6	-43.1	0	0	0	114.3
95	D	86.2	Confident	90.8	Very high	124 Å²	124	56.5 Å²	56.5	66%	0.663	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-8	170.9	59	8.5	0	0	0	113.7	F93 D97	F93-D95 WeakPolarHBondContact CB-OD1 3.2Å; F93-D95 PolarHBondContact O-N 2.82Å; F93-D95 VanDerWaalsContact O-N 3.13Å; D95-D97 WeakPolarHBondContact OD1-CB 3.46Å; D95-D97 PolarHBondContact OD1-N 3.39Å
96	G	85.8	Confident	90.8	Very high	47 Å²	47	55.1 Å²	55.1	49%	0.485	29%	0.29	S	S	.	.	S	Bend	trans	92.9	-0.2	-176.8	0	0	0	0	0	115.3	F93	F93-G96 PolarHBondContact O-N 3.29Å
97	D	89.8	Confident	90.9	Very high	57 Å²	57	55.2 Å²	55.2	31%	0.305	29%	0.288	S	S	.	.			trans	-67.6	131.6	177.4	-134.7	41.3	0	0	0	109.7	Y20 V92 F93 D95 R99	Y20-D97 PolarHBondContact OH-OD2 3.17Å; V92-D97 WeakPolarHBondContact CA-O 3.45Å; F93-D97 HydrophobicContact CD2-CB 4.31Å; F93-D97 WeakPolarHBondContact CD2-O 3.31Å; F93-D97 PolarHBondContact N-O 3.4Å; D95-D97 WeakPolarHBondContact OD1-CB 3.46Å; D95-D97 PolarHBondContact OD1-N 3.39Å; D97-R99 IonicContact OD2-CZ 3.71Å; D97-R99 IonicContact OD2-NE 2.69Å; D97-R99 PolarHBondContact OD2-NE 3.32Å; D97-R99 IonicContact OD2-NH2 3.68Å; D97-R99 PolarHBondContact OD2-NH2 3.36Å; D97-R99 VanDerWaalsContact OD2-NH2 3.1Å
98	E	93.6	Very high	90.8	Very high	93 Å²	93	57.8 Å²	57.8	44%	0.435	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.1	177.4	-49.9	-153.7	170	0	0	111.2	K30 T90 V91 V92	K30-E98 WeakPolarHBondContact CD-OE1 3.25Å; K30-E98 WeakPolarHBondContact CD-OE2 3.44Å; K30-E98 IonicContact NZ-OE1 2.69Å; K30-E98 PolarHBondContact NZ-OE1 3.25Å; K30-E98 IonicContact NZ-OE2 3.75Å; K30-E98 PolarHBondContact NZ-OE2 3.38Å; T90-E98 HydrophobicContact CG2-CB 4.42Å; V91-E98 WeakPolarHBondContact O-CA 3.4Å; V92-E98 HydrophobicContact CG2-CG 4.02Å
99	R	91.5	Very high	90.4	Very high	106 Å²	106	57.5 Å²	57.5	40%	0.4	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.8	178.6	-62.1	-65.7	175.5	178.6	-8.7	112.5	Y20 T90 V91 F93 D97 L101	Y20-R99 HydrophobicContact CD2-CG 4.5Å; Y20-R99 HydrophobicContact CE2-CG 4.25Å; Y20-R99 PolarHBondContact OH-NE 2.89Å; Y20-R99 PolarHBondContact OH-NH2 2.75Å; T90-R99 WeakPolarHBondContact CA-O 3.14Å; V91-R99 PolarHBondContact N-O 2.68Å; V91-R99 PolarHBondContact O-N 3.49Å; F93-R99 HydrophobicContact CD2-CG 4.36Å; F93-R99 HydrophobicContact CE2-CB 3.93Å; F93-R99 HydrophobicContact CE2-CG 3.7Å; D97-R99 IonicContact OD2-CZ 3.71Å; D97-R99 IonicContact OD2-NE 2.69Å; D97-R99 PolarHBondContact OD2-NE 3.32Å; D97-R99 IonicContact OD2-NH2 3.68Å; D97-R99 PolarHBondContact OD2-NH2 3.36Å; D97-R99 VanDerWaalsContact OD2-NH2 3.1Å; R99-L101 HydrophobicContact CB-CG 4.35Å
100	T	94.7	Very high	89.2	Confident	77 Å²	77	61 Å²	61	47%	0.472	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.3	172.1	-54.8	0	0	0	0	110.2	W88 Y89 T90	W88-T100 HydrophobicContact CB-CG2 3.92Å; W88-T100 HydrophobicContact CE3-CG2 4.12Å; Y89-T100 CarbonylContact O-C 3.04Å; Y89-T100 WeakPolarHBondContact O-CA 3.31Å; T90-T100 PolarHBondContact OG1-OG1 3.06Å
101	L	92.8	Very high	88	Confident	31 Å²	31	64.8 Å²	64.8	16%	0.162	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	165.2	-174.9	-63.9	176.2	0	0	0	111.1	A18 W88 Y89 V91 R99 L106	A18-L101 HydrophobicContact CB-CD1 3.84Å; W88-L101 WeakPolarHBondContact CA-O 3.42Å; Y89-L101 PolarHBondContact N-O 3.35Å; Y89-L101 PolarHBondContact O-N 3.44Å; V91-L101 HydrophobicContact CG2-CD1 4.06Å; R99-L101 HydrophobicContact CB-CG 4.35Å; L101-L106 HydrophobicContact CB-CD2 4.3Å; L101-L106 HydrophobicContact CD1-CD2 3.88Å
102	R	91.1	Very high	86.2	Confident	137 Å²	137	72.9 Å²	72.9	52%	0.517	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	160.8	170.2	-64.8	-170.9	-177.6	-174.3	5	110.4	W88 T104 S105	W88-R102 HydrophobicContact CD2-CG 4.09Å; W88-R102 HydrophobicContact CE3-CG 3.74Å; W88-R102 HydrophobicContact CH2-CG 4.13Å; W88-R102 VanDerWaalsContact CH2-NE 3.29Å; W88-R102 HydrophobicContact CZ2-CG 4.39Å; W88-R102 VanDerWaalsContact CZ2-NE 3.29Å; W88-R102 HydrophobicContact CZ3-CG 3.76Å; R102-T104 PolarHBondContact O-N 3.01Å; R102-T104 VanDerWaalsContact O-N 3.08Å; R102-S105 PolarHBondContact O-N 3.4Å
103	R	89.6	Confident	84.6	Confident	32 Å²	32	74.9 Å²	74.9	12%	0.121	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-47	-40.6	177	-173.7	62.8	-177.5	118	-8.4	113.8	E6 D85 Y89 S105 L106	E6-R103 IonicContact OE1-CZ 3.91Å; E6-R103 IonicContact OE1-NE 3.92Å; E6-R103 PolarHBondContact OE1-NE 2.99Å; E6-R103 IonicContact OE1-NH2 2.76Å; E6-R103 PolarHBondContact OE1-NH2 3.4Å; D85-R103 HydrophobicContact CB-CB 4.38Å; D85-R103 HydrophobicContact CB-CG 4.34Å; D85-R103 VanDerWaalsContact OD2-CB 3.3Å; D85-R103 WeakPolarHBondContact OD2-CB 3.49Å; D85-R103 WeakPolarHBondContact OD2-CG 3.48Å; Y89-R103 HydrophobicContact CE2-CB 4Å; R103-S105 PolarHBondContact O-N 2.95Å; R103-L106 PolarHBondContact NH1-O 2.79Å; R103-L106 PolarHBondContact O-N 3.47Å; R103-L106 VanDerWaalsContact O-O 3.06Å
104	T	86.6	Confident	82.3	Confident	95 Å²	95	82.7 Å²	82.7	58%	0.583	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-66.6	0.1	178.7	68.8	0	0	0	0	115.4	R102 R145	R102-T104 PolarHBondContact O-N 3.01Å; R102-T104 VanDerWaalsContact O-N 3.08Å; T104-R145 PolarHBondContact OG1-NH2 3.43Å
105	S	88.8	Confident	80.3	Confident	31 Å²	31	79.4 Å²	79.4	22%	0.217	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-117	6.7	174.8	-58.1	0	0	0	0	112.3	K19 R102 R103	K19-S105 PolarHBondContact N-O 3.04Å; R102-S105 PolarHBondContact O-N 3.4Å; R103-S105 PolarHBondContact O-N 2.95Å
106	L	89.5	Confident	78.4	Confident	5 Å²	5	79 Å²	79	3%	0.026	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.5	179.1	-58.4	-175.3	0	0	0	110.2	L10 V16 S17 A18 I29 Y89 V91 L101 R103	L10-L106 HydrophobicContact CD1-CD1 4.49Å; V16-L106 HydrophobicContact CG2-CD2 4.17Å; S17-L106 WeakPolarHBondContact O-CA 3.39Å; A18-L106 HydrophobicContact CB-CD2 3.46Å; A18-L106 VanDerWaalsContact CB-CD2 3.46Å; I29-L106 HydrophobicContact CD1-CD1 4.44Å; Y89-L106 HydrophobicContact CD1-CD1 4.29Å; Y89-L106 HydrophobicContact CD2-CD1 3.95Å; Y89-L106 HydrophobicContact CG-CD1 3.66Å; V91-L106 HydrophobicContact CG1-CD1 4.08Å; V91-L106 HydrophobicContact CG1-CD2 3.85Å; L101-L106 HydrophobicContact CB-CD2 4.3Å; L101-L106 HydrophobicContact CD1-CD2 3.88Å; R103-L106 PolarHBondContact NH1-O 2.79Å; R103-L106 PolarHBondContact O-N 3.47Å; R103-L106 VanDerWaalsContact O-O 3.06Å
107	C	87.9	Confident	76.5	Confident	34 Å²	34	82.2 Å²	82.2	23%	0.23	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	163.8	164.2	-56.1	0	0	0	0	109.4	V16 S17	V16-C107 CarbonylContact C-O 3.58Å; V16-C107 VanDerWaalsContact CA-O 3.24Å; V16-C107 WeakPolarHBondContact CA-O 3.34Å; V16-C107 VanDerWaalsContact CB-O 3.23Å; V16-C107 WeakPolarHBondContact CB-O 3.36Å; S17-C107 PolarHBondContact N-O 2.95Å; S17-C107 PolarHBondContact O-N 3.35Å
108	L	89.9	Confident	74.5	Confident	55 Å²	55	87.2 Å²	87.2	29%	0.288	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	145.2	172.8	-70.4	171	0	0	0	110.4	L10 T14 G110 E111	L10-L108 HydrophobicContact CD1-CD2 4.43Å; L10-L108 HydrophobicContact CD2-CD2 3.87Å; T14-L108 HydrophobicContact CG2-CD2 3.78Å; L108-G110 PolarHBondContact O-N 2.99Å; L108-E111 HydrophobicContact CB-CB 4.32Å; L108-E111 PolarHBondContact N-OE2 2.81Å; L108-E111 WeakPolarHBondContact O-CB 3.09Å; L108-E111 PolarHBondContact O-N 2.87Å; L108-E111 VanDerWaalsContact O-N 3.09Å
109	K	83.2	Confident	72.2	Confident	88 Å²	88	86.1 Å²	86.1	38%	0.383	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	130.2	177.2	-178.5	171.9	-178.6	148.2	0	110	D15 E26	D15-K109 HydrophobicContact CB-CB 3.73Å; D15-K109 HydrophobicContact CB-CD 3.65Å; D15-K109 HydrophobicContact CB-CG 4.31Å; D15-K109 WeakPolarHBondContact O-CB 3.47Å; D15-K109 PolarHBondContact O-N 2.89Å; D15-K109 VanDerWaalsContact O-N 3.11Å; E26-K109 VanDerWaalsContact CD-NZ 3.27Å; E26-K109 WeakPolarHBondContact OE1-CE 3.25Å; E26-K109 IonicContact OE1-NZ 3.18Å; E26-K109 WeakPolarHBondContact OE2-CE 3.3Å; E26-K109 IonicContact OE2-NZ 2.81Å; E26-K109 PolarHBondContact OE2-NZ 3.37Å
110	G	69.4	Low	70.3	Confident	74 Å²	74	88 Å²	88	76%	0.763	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-9.3	-174.1	0	0	0	0	0	115	L108	L108-G110 PolarHBondContact O-N 2.99Å
111	E	69.1	Low	68.3	Low	101 Å²	101	91.3 Å²	91.3	47%	0.472	48%	0.48	S	S	.	.	S	Bend	trans	-80.2	123	172.7	-164.6	167.4	-138.6	0	0	109.7	L108 H113	L108-E111 HydrophobicContact CB-CB 4.32Å; L108-E111 PolarHBondContact N-OE2 2.81Å; L108-E111 WeakPolarHBondContact O-CB 3.09Å; L108-E111 PolarHBondContact O-N 2.87Å; L108-E111 VanDerWaalsContact O-N 3.09Å; E111-H113 PolarHBondContact O-CD2 3.23Å; E111-H113 PolarHBondContact O-N 3.01Å; E111-H113 PolarHBondContact O-NE2 2.73Å
112	R	57.6	Low	66.2	Low	169 Å²	169	97.6 Å²	97.6	64%	0.638	51%	0.509	S	S	*	.			trans	-63.2	128	-174.2	-77.3	177.2	-70.9	179.5	-0.2	111.2	F114 E116	R112-F114 PolarHBondContact O-N 2.86Å; R112-F114 VanDerWaalsContact O-N 3.16Å; R112-E116 IonicContact CZ-OE1 2.61Å; R112-E116 IonicContact CZ-OE2 2.85Å; R112-E116 IonicContact NH1-OE1 3.88Å; R112-E116 PolarHBondContact NH1-OE1 3.02Å; R112-E116 IonicContact NH1-OE2 3.76Å; R112-E116 IonicContact NH2-OE1 2.68Å; R112-E116 PolarHBondContact NH2-OE1 2.83Å; R112-E116 IonicContact NH2-OE2 2.64Å; R112-E116 PolarHBondContact NH2-OE2 3.12Å
113	H	60.6	Low	64.3	Low	79 Å²	79	97.2 Å²	97.2	37%	0.366	52%	0.517	S	S	.	.	S	Bend	trans	-76.3	3	-177.7	-46.7	143.4	0	0	0	114.5	S17 F24 E111	S17-H113 WeakPolarHBondContact CB-NE2 3.34Å; S17-H113 PolarHBondContact OG-CE1 2.9Å; S17-H113 PolarHBondContact OG-NE2 2.82Å; F24-H113 HydrophobicContact CD2-CB 4.12Å; F24-H113 HydrophobicContact CE2-CB 4.41Å; E111-H113 PolarHBondContact O-CD2 3.23Å; E111-H113 PolarHBondContact O-N 3.01Å; E111-H113 PolarHBondContact O-NE2 2.73Å
114	F	44.6	Very low	62	Low	172 Å²	172	100.9 Å²	100.9	75%	0.754	54%	0.544	S	S	*	.	S	Bend	trans	-123.9	139.4	177	-61.9	-86.3	0	0	0	108.8	R112	R112-F114 PolarHBondContact O-N 2.86Å; R112-F114 VanDerWaalsContact O-N 3.16Å
115	A	44.5	Very low	60.4	Low	61 Å²	61	104.5 Å²	104.5	50%	0.504	56%	0.56	S	S	.	*			trans	-70.7	131.6	178.3	0	0	0	0	0	110.4	S117 E118	A115-S117 PolarHBondContact O-N 2.82Å; A115-E118 PolarHBondContact O-N 2.94Å; A115-E118 VanDerWaalsContact O-N 3.09Å
116	E	45.1	Very low	58.3	Low	115 Å²	115	108.3 Å²	108.3	54%	0.537	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	-2.6	178.2	-170.8	160.7	-130.8	0	0	113.4	R112 T119	R112-E116 IonicContact CZ-OE1 2.61Å; R112-E116 IonicContact CZ-OE2 2.85Å; R112-E116 IonicContact NH1-OE1 3.88Å; R112-E116 PolarHBondContact NH1-OE1 3.02Å; R112-E116 IonicContact NH1-OE2 3.76Å; R112-E116 IonicContact NH2-OE1 2.68Å; R112-E116 PolarHBondContact NH2-OE1 2.83Å; R112-E116 IonicContact NH2-OE2 2.64Å; R112-E116 PolarHBondContact NH2-OE2 3.12Å; E116-T119 PolarHBondContact O-OG1 2.93Å
117	S	47.5	Very low	55.7	Low	114 Å²	114	114.1 Å²	114.1	80%	0.797	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-5.2	170.9	56.8	0	0	0	0	114.7	A115	A115-S117 PolarHBondContact O-N 2.82Å
118	E	46.2	Very low	54	Low	162 Å²	162	118 Å²	118	76%	0.757	64%	0.637	S	S	*	*	S	Bend	trans	-113	1	-177	-154.6	172.9	-165.7	0	0	113.5	A115 L120	A115-E118 PolarHBondContact O-N 2.94Å; A115-E118 VanDerWaalsContact O-N 3.09Å; E118-L120 PolarHBondContact O-N 2.9Å
119	T	46.1	Very low	52.3	Low	70 Å²	70	124.2 Å²	124.2	43%	0.429	67%	0.665	S	S	.	*			trans	-77.1	114.1	173	46.4	0	0	0	0	111.2	E116 D121	E116-T119 PolarHBondContact O-OG1 2.93Å; T119-D121 PolarHBondContact O-N 2.68Å
120	L	51.3	Low	50.4	Low	145 Å²	145	128.1 Å²	128.1	76%	0.759	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-70.7	5.1	-178.4	-153.2	74.6	0	0	0	114.2	E118 Q122	E118-L120 PolarHBondContact O-N 2.9Å; L120-Q122 PolarHBondContact O-N 2.87Å
121	D	52.1	Low	49.2	Very low	147 Å²	147	133.1 Å²	133.1	79%	0.786	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-86.5	2.8	-167	-61.6	-46.4	0	0	0	115.3	T119	T119-D121 PolarHBondContact O-N 2.68Å
122	Q	49.6	Very low	48.1	Very low	164 Å²	164	131.5 Å²	131.5	77%	0.766	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-111.8	15.3	-179.8	-64.4	-167.9	39.9	0	0	114.5	L120	L120-Q122 PolarHBondContact O-N 2.87Å
123	L	51.8	Low	47.2	Very low	128 Å²	128	128.8 Å²	128.8	67%	0.67	70%	0.698	S	S	*	*	S	Bend	trans	-99.3	130.6	171	-69	174.1	0	0	0	110.6	L125	L123-L125 PolarHBondContact O-N 2.75Å
124	P	40.8	Very low	46.3	Very low	109 Å²	109	130.1 Å²	130.1	71%	0.708	71%	0.713	S	S	*	*			trans	-68.6	119.9	-179.8	27.1	-33.3	0	0	0	111.1	T126	P124-T126 PolarHBondContact O-N 3.17Å
125	L	52.9	Low	45.7	Very low	172 Å²	172	128.3 Å²	128.3	90%	0.901	72%	0.716	S	S	*	*			trans	-73.7	51.4	-178	-80.8	161.5	0	0	0	113.4	L123	L123-L125 PolarHBondContact O-N 2.75Å
126	T	43.8	Very low	45.5	Very low	111 Å²	111	132.6 Å²	132.6	68%	0.681	73%	0.729	S	S	*	*			trans	-137.2	59.7	-175.8	60.5	0	0	0	0	112.9	P124	P124-T126 PolarHBondContact O-N 3.17Å
127	N	36.6	Very low	45.1	Very low	127 Å²	127	131.2 Å²	131.2	68%	0.679	74%	0.737	S	S	*	*			trans	-173.9	117.6	148.4	-97.9	-20.3	0	0	0	111.8
128	P	51.5	Low	44.7	Very low	114 Å²	114	135.2 Å²	135.2	74%	0.74	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-70.5	-27.6	-178.1	-23.3	35.1	0	0	0	116.2	H130	P128-H130 VanDerWaalsContact C-N 3.3Å; P128-H130 PolarHBondContact O-N 3.19Å
129	E	53.5	Low	44.3	Very low	187 Å²	187	137.2 Å²	137.2	87%	0.874	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-74.2	-11.8	-165.3	-63.8	-162.8	125.1	0	0	115.3	F131	E129-F131 PolarHBondContact O-N 3.23Å
130	H	44.8	Very low	43.8	Very low	169 Å²	169	139.1 Å²	139.1	78%	0.782	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-81.7	-7.1	-178.1	-92.7	-70.6	0	0	0	115.6	P128 G132	P128-H130 VanDerWaalsContact C-N 3.3Å; P128-H130 PolarHBondContact O-N 3.19Å; H130-G132 PolarHBondContact O-N 2.83Å
131	F	44	Very low	43.1	Very low	180 Å²	180	140.1 Å²	140.1	79%	0.789	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-77.3	4.3	175.6	-72.6	-84	0	0	0	114.2	E129 T133	E129-F131 PolarHBondContact O-N 3.23Å; F131-T133 VanDerWaalsContact C-N 3.32Å; F131-T133 PolarHBondContact O-N 3.07Å
132	G	45.2	Very low	42.3	Very low	66 Å²	66	143.6 Å²	143.6	68%	0.68	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-74.8	-4.4	-174.6	0	0	0	0	0	117.1	H130	H130-G132 PolarHBondContact O-N 2.83Å
133	T	39.2	Very low	41.6	Very low	113 Å²	113	139.1 Å²	139.1	69%	0.693	76%	0.764	S	S	*	*			trans	-130.8	109.3	-179.8	-52.2	0	0	0	0	111.5	F131 V135	F131-T133 VanDerWaalsContact C-N 3.32Å; F131-T133 PolarHBondContact O-N 3.07Å; T133-V135 PolarHBondContact O-N 2.63Å
134	P	40.4	Very low	40.9	Very low	106 Å²	106	143.5 Å²	143.5	69%	0.688	77%	0.772	S	S	*	*			trans	-72.2	113.4	169.7	29	-31.7	0	0	0	109.6	I136	P134-I136 PolarHBondContact O-N 3.25Å; P134-I136 VanDerWaalsContact O-N 3.13Å
135	V	32.6	Very low	40.7	Very low	134 Å²	134	146.5 Å²	146.5	81%	0.812	77%	0.769	S	S	*	*			trans	-70.5	106.2	169.2	177.1	0	0	0	0	108.1	T133 A137	T133-V135 PolarHBondContact O-N 2.63Å; V135-A137 VanDerWaalsContact C-N 3.3Å; V135-A137 PolarHBondContact O-N 3.27Å
136	I	40.4	Very low	39.7	Very low	151 Å²	151	143.8 Å²	143.8	77%	0.774	76%	0.764	S	S	*	*			trans	-76.9	80.7	-175.2	-58.1	174.2	0	0	0	109.9	P134 K138	P134-I136 PolarHBondContact O-N 3.25Å; P134-I136 VanDerWaalsContact O-N 3.13Å; I136-K138 PolarHBondContact O-N 2.88Å
137	A	36.8	Very low	39	Very low	87 Å²	87	143.7 Å²	143.7	72%	0.719	77%	0.768	S	S	*	*			trans	-72.3	117.3	163.5	0	0	0	0	0	109.3	V135 K139	V135-A137 VanDerWaalsContact C-N 3.3Å; V135-A137 PolarHBondContact O-N 3.27Å; A137-K139 PolarHBondContact O-N 3.43Å
138	K	39	Very low	38.7	Very low	197 Å²	197	145.6 Å²	145.6	86%	0.857	78%	0.778	S	S	*	*			trans	-62.3	119.1	-178.3	-65.6	175.9	-179.5	175.1	0	110.7	I136	I136-K138 PolarHBondContact O-N 2.88Å
139	K	37.4	Very low	38	Very low	204 Å²	204	145.4 Å²	145.4	89%	0.887	78%	0.777	S	S	*	*			trans	-104.6	75.5	173.3	-169.7	173.9	179.2	174.6	0	111.3	A137	A137-K139 PolarHBondContact O-N 3.43Å
140	T	35.6	Very low	36.7	Very low	111 Å²	111	143 Å²	143	68%	0.681	77%	0.774	S	S	*	*			trans	-75.8	154.4	161.8	48	0	0	0	0	110.1	R142	T140-R142 PolarHBondContact O-N 2.91Å
141	N	36.7	Very low	36	Very low	165 Å²	165	140.9 Å²	140.9	88%	0.882	77%	0.773	S	S	*	*			trans	-67.7	120.6	172.8	-82.5	-27.3	0	0	0	110.2
142	R	35.8	Very low	35.8	Very low	220 Å²	220	141.2 Å²	141.2	83%	0.83	78%	0.777	S	S	*	*			trans	-133.3	101.3	159.8	-123.2	-179.9	-172.9	172.2	2.6	111.1	T140	T140-R142 PolarHBondContact O-N 2.91Å
143	G	34.1	Very low	35.4	Very low	70 Å²	70	145.4 Å²	145.4	72%	0.722	78%	0.784	S	S	*	*			trans	-63.1	139.5	150.6	0	0	0	0	0	108.9
144	R	37.4	Very low	35.7	Very low	221 Å²	221	149.4 Å²	149.4	83%	0.834	80%	0.795	S	S	*	*	S	Bend	trans	61.4	105.6	173	-65.1	-177.6	171.8	-127.4	0.5	118
145	R	37.3	Very low	35.6	Very low	172 Å²	172	151.2 Å²	151.2	65%	0.649	79%	0.792	S	S	*	*			trans	76.5	121.4	135.4	-63.8	-172.8	171.4	-139.8	-7.3	120.1	T104	T104-R145 PolarHBondContact OG1-NH2 3.43Å
146	S	32	Very low	35.5	Very low	114 Å²	114	153.3 Å²	153.3	80%	0.797	79%	0.793	S	S	*	*				64.8	102.8	125.4	-176.3	0	0	0	0	120.2
147	S	29.9	Very low	35.3	Very low	109 Å²	109	153.7 Å²	153.7	76%	0.762	79%	0.791	S	S	*	*				177.3	138.4	110	54.5	0	0	0	0	112.7
148	L	30	Very low	35.2	Very low	168 Å²	168	155.5 Å²	155.5	88%	0.88	79%	0.785	S	S	*	*			trans	-167	151.5	152.7	-86.7	-168.3	0	0	0	107.3
149	P	35.2	Very low	34.9	Very low	110 Å²	110	149.2 Å²	149.2	71%	0.714	77%	0.766	S	S	*	*				-125.8	143	-53.3	33	-18.1	0	0	0	111
150	V	27.5	Very low	35.1	Very low	136 Å²	136	142 Å²	142	82%	0.824	74%	0.741	S	S	*	*			trans	-140	118	171.3	177.3	0	0	0	0	108
151	T	29.7	Very low	35.5	Very low	124 Å²	124	143.3 Å²	143.3	76%	0.761	74%	0.739	S	S	*	*			trans	19.1	111.9	166.9	55.2	0	0	0	0	117.6	D153	T151-D153 PolarHBondContact O-N 2.97Å
152	E	38.9	Very low	36.3	Very low	188 Å²	188	141.5 Å²	141.5	88%	0.879	73%	0.726	S	S	*	*			trans	-56.9	116.3	156	-67.8	149.8	166.8	0	0	109.2
153	D	38.9	Very low	37.3	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	71%	0.71	S	S	*	*			trans	171.6	157.8	141.8	-88.5	-30.7	0	0	0	109.2	T151	T151-D153 PolarHBondContact O-N 2.97Å
154	E	44.4	Very low	38.3	Very low	196 Å²	196	135.5 Å²	135.5	92%	0.916	69%	0.69	S	S	*	*	S	Bend	trans	60.6	48.4	174.1	-56.8	-170.9	171.2	0	0	118.5
155	K	37.8	Very low	39.4	Very low	144 Å²	144	127.7 Å²	127.7	63%	0.626	66%	0.663	S	S	*	*			trans	-162.6	82.6	149.6	-125.9	-175.9	179.5	-164.1	0	117.7	E158	K155-E158 IonicContact NZ-OE1 2.89Å; K155-E158 PolarHBondContact NZ-OE1 2.83Å; K155-E158 IonicContact NZ-OE2 3.79Å; K155-E158 PolarHBondContact NZ-OE2 3.49Å
156	E	31.1	Very low	40.4	Very low	179 Å²	179	123 Å²	123	84%	0.836	65%	0.651	S	S	*	*	S	Bend	trans	-105.6	-21.5	163.5	-61.8	-156.9	139	0	0	113.8	E158 S159	E156-E158 VanDerWaalsContact C-N 3.3Å; E156-E158 PolarHBondContact O-N 2.8Å; E156-E158 VanDerWaalsContact O-N 3.15Å; E156-S159 PolarHBondContact O-N 3.48Å
157	E	36.1	Very low	41.8	Very low	158 Å²	158	122 Å²	122	74%	0.738	63%	0.632	S	S	*	*	H	α-helix	trans	-57.3	-28.8	-177.2	-63.6	-70.3	133.3	0	0	115.7	S160	E157-S160 PolarHBondContact O-OG 2.97Å
158	E	34.6	Very low	43.2	Very low	126 Å²	126	125.1 Å²	125.1	59%	0.589	63%	0.627	S	S	*	*	H	α-helix	trans	-86.4	-10.5	-171.5	-157	171.5	-108.3	0	0	113.2	K155 E156	K155-E158 IonicContact NZ-OE1 2.89Å; K155-E158 PolarHBondContact NZ-OE1 2.83Å; K155-E158 IonicContact NZ-OE2 3.79Å; K155-E158 PolarHBondContact NZ-OE2 3.49Å; E156-E158 VanDerWaalsContact C-N 3.3Å; E156-E158 PolarHBondContact O-N 2.8Å; E156-E158 VanDerWaalsContact O-N 3.15Å
159	S	33.6	Very low	44.8	Very low	64 Å²	64	120.8 Å²	120.8	45%	0.448	60%	0.599	S	S	.	*	H	α-helix	trans	-94.9	-23.1	173.8	-166.5	0	0	0	0	112.5	E156 E163	E156-S159 PolarHBondContact O-N 3.48Å; S159-E163 PolarHBondContact O-N 2.91Å
160	S	39.9	Very low	45.9	Very low	52 Å²	52	118.9 Å²	118.9	36%	0.364	58%	0.582	S	S	.	*	H	α-helix	trans	-70.8	-40.3	177.5	62.5	0	0	0	0	111.1	E157 E162 E163 D164	E157-S160 PolarHBondContact O-OG 2.97Å; S160-E162 PolarHBondContact O-N 2.82Å; S160-E163 PolarHBondContact O-N 3.2Å; S160-D164 WeakPolarHBondContact O-CB 3.28Å; S160-D164 PolarHBondContact O-N 2.71Å
161	E	45.6	Very low	47.2	Very low	140 Å²	140	118.8 Å²	118.8	65%	0.654	58%	0.578	S	S	*	*	H	α-helix	trans	-59.7	-39.8	-179.6	-68.6	-163.2	143.4	0	0	113.7	E165	E161-E165 WeakPolarHBondContact O-CB 3.14Å; E161-E165 WeakPolarHBondContact O-CG 3.39Å; E161-E165 PolarHBondContact O-N 2.75Å
162	E	53.7	Low	49.5	Very low	127 Å²	127	114.3 Å²	114.3	59%	0.593	55%	0.549	S	S	*	.	H	α-helix	trans	-75.2	-41.3	179.8	60.4	-177.5	178	0	0	112.3	S160 D164 E165 D166	S160-E162 PolarHBondContact O-N 2.82Å; E162-D164 VanDerWaalsContact C-N 3.31Å; E162-D164 PolarHBondContact O-N 2.63Å; E162-E165 PolarHBondContact O-N 2.76Å; E162-D166 PolarHBondContact O-N 2.93Å
163	E	56.3	Low	51.6	Low	107 Å²	107	112.6 Å²	112.6	50%	0.5	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-35.8	170.4	-71.2	-164.9	176	0	0	112.6	S159 S160 D166 K167	S159-E163 PolarHBondContact O-N 2.91Å; S160-E163 PolarHBondContact O-N 3.2Å; E163-D166 PolarHBondContact O-N 3.34Å; E163-K167 VanDerWaalsContact CB-NZ 3.34Å; E163-K167 WeakPolarHBondContact O-CB 3.22Å; E163-K167 WeakPolarHBondContact O-CD 3.29Å; E163-K167 WeakPolarHBondContact O-CG 3.33Å; E163-K167 PolarHBondContact O-N 3.06Å; E163-K167 WeakPolarHBondContact OE2-CE 3.32Å; E163-K167 IonicContact OE2-NZ 2.63Å; E163-K167 PolarHBondContact OE2-NZ 3.13Å
164	D	54.3	Low	53.9	Low	56 Å²	56	106.8 Å²	106.8	30%	0.299	51%	0.51	S	S	.	.	H	α-helix	trans	-74.1	-33.9	178.6	-98.1	33.8	0	0	0	112.7	S160 E162 D166 K167 R168	S160-D164 WeakPolarHBondContact O-CB 3.28Å; S160-D164 PolarHBondContact O-N 2.71Å; E162-D164 VanDerWaalsContact C-N 3.31Å; E162-D164 PolarHBondContact O-N 2.63Å; D164-D166 VanDerWaalsContact C-N 3.33Å; D164-K167 IonicContact OD1-NZ 2.69Å; D164-K167 PolarHBondContact OD1-NZ 3.47Å; D164-R168 VanDerWaalsContact O-CB 3.28Å; D164-R168 WeakPolarHBondContact O-CB 3.23Å; D164-R168 VanDerWaalsContact O-CD 3.23Å; D164-R168 WeakPolarHBondContact O-CD 3.21Å; D164-R168 WeakPolarHBondContact O-CG 3.4Å; D164-R168 PolarHBondContact O-N 2.88Å; D164-R168 PolarHBondContact O-NE 3.32Å; D164-R168 IonicContact OD2-CZ 2.59Å; D164-R168 IonicContact OD2-NE 3.74Å; D164-R168 IonicContact OD2-NH2 3.83Å; D164-R168 PolarHBondContact OD2-NH2 3.15Å
165	E	60	Low	56.1	Low	57 Å²	57	99 Å²	99	27%	0.266	47%	0.474	S	S	.	.	H	α-helix	trans	-60.5	-44.5	166.8	-80.8	-113.5	152	0	0	110.6	E161 E162 R168 R169 K208	E161-E165 WeakPolarHBondContact O-CB 3.14Å; E161-E165 WeakPolarHBondContact O-CG 3.39Å; E161-E165 PolarHBondContact O-N 2.75Å; E162-E165 PolarHBondContact O-N 2.76Å; E165-R168 PolarHBondContact O-N 3.48Å; E165-R169 VanDerWaalsContact O-CG 3.22Å; E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 2.84Å; E165-R169 IonicContact OE2-CZ 2.66Å; E165-R169 IonicContact OE2-NE 3.61Å; E165-R169 IonicContact OE2-NH2 2.68Å; E165-R169 PolarHBondContact OE2-NH2 2.7Å; E165-K208 WeakPolarHBondContact OE1-CE 3.44Å; E165-K208 IonicContact OE1-NZ 2.68Å; E165-K208 PolarHBondContact OE1-NZ 3.35Å
166	D	59.7	Low	58.5	Low	75 Å²	75	92.3 Å²	92.3	40%	0.401	45%	0.446	S	S	.	.	H	α-helix	trans	-69.5	-44.1	177.9	-81	-31.4	0	0	0	112.5	E162 E163 D164 R168 R169 L170	E162-D166 PolarHBondContact O-N 2.93Å; E163-D166 PolarHBondContact O-N 3.34Å; D164-D166 VanDerWaalsContact C-N 3.33Å; D166-R168 PolarHBondContact O-N 2.86Å; D166-R169 CarbonylContact O-C 3.49Å; D166-R169 WeakPolarHBondContact O-CA 3.46Å; D166-R169 WeakPolarHBondContact O-CB 3.46Å; D166-R169 PolarHBondContact O-N 3.39Å; D166-R169 VanDerWaalsContact OD1-CD 3.27Å; D166-R169 WeakPolarHBondContact OD1-CD 3.17Å; D166-R169 IonicContact OD1-CZ 3.67Å; D166-R169 IonicContact OD1-NE 3.43Å; D166-R169 IonicContact OD1-NH1 3.65Å; D166-R169 PolarHBondContact OD1-NH1 2.86Å; D166-R169 IonicContact OD2-NH1 2.73Å; D166-L170 VanDerWaalsContact O-CG 3.28Å; D166-L170 WeakPolarHBondContact O-CG 3.28Å; D166-L170 PolarHBondContact O-N 3.24Å
167	K	59.9	Low	61.3	Low	91 Å²	91	86.2 Å²	86.2	40%	0.396	42%	0.417	S	S	.	.	H	α-helix	trans	-55.1	-36.6	170.9	-69.3	157.5	-161.5	156.7	0	111.7	E163 D164 N171	E163-K167 VanDerWaalsContact CB-NZ 3.34Å; E163-K167 WeakPolarHBondContact O-CB 3.22Å; E163-K167 WeakPolarHBondContact O-CD 3.29Å; E163-K167 WeakPolarHBondContact O-CG 3.33Å; E163-K167 PolarHBondContact O-N 3.06Å; E163-K167 WeakPolarHBondContact OE2-CE 3.32Å; E163-K167 IonicContact OE2-NZ 2.63Å; E163-K167 PolarHBondContact OE2-NZ 3.13Å; D164-K167 IonicContact OD1-NZ 2.69Å; D164-K167 PolarHBondContact OD1-NZ 3.47Å; K167-N171 PolarHBondContact O-N 3.04Å; K167-N171 PolarHBondContact O-ND2 3.35Å
168	R	60.8	Low	64	Low	175 Å²	175	78.9 Å²	78.9	66%	0.66	38%	0.383	S	S	*	.	H	α-helix	trans	-74.6	-31.2	174.6	-69.4	164.6	-148.5	-153	7.3	113	D164 E165 D166 N171	D164-R168 VanDerWaalsContact O-CB 3.28Å; D164-R168 WeakPolarHBondContact O-CB 3.23Å; D164-R168 VanDerWaalsContact O-CD 3.23Å; D164-R168 WeakPolarHBondContact O-CD 3.21Å; D164-R168 WeakPolarHBondContact O-CG 3.4Å; D164-R168 PolarHBondContact O-N 2.88Å; D164-R168 PolarHBondContact O-NE 3.32Å; D164-R168 IonicContact OD2-CZ 2.59Å; D164-R168 IonicContact OD2-NE 3.74Å; D164-R168 IonicContact OD2-NH2 3.83Å; D164-R168 PolarHBondContact OD2-NH2 3.15Å; E165-R168 PolarHBondContact O-N 3.48Å; D166-R168 PolarHBondContact O-N 2.86Å; R168-N171 CarbonylContact O-C 3.57Å; R168-N171 PolarHBondContact O-N 2.73Å
169	R	62.8	Low	66.8	Low	77 Å²	77	72.9 Å²	72.9	29%	0.291	36%	0.355	S	S	.	.	H	α-helix	trans	-70.4	-34.5	171.1	-67.2	161.1	-160.1	169.8	1.7	111.6	E165 D166 N171 D172 L175	E165-R169 VanDerWaalsContact O-CG 3.22Å; E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 2.84Å; E165-R169 IonicContact OE2-CZ 2.66Å; E165-R169 IonicContact OE2-NE 3.61Å; E165-R169 IonicContact OE2-NH2 2.68Å; E165-R169 PolarHBondContact OE2-NH2 2.7Å; D166-R169 CarbonylContact O-C 3.49Å; D166-R169 WeakPolarHBondContact O-CA 3.46Å; D166-R169 WeakPolarHBondContact O-CB 3.46Å; D166-R169 PolarHBondContact O-N 3.39Å; D166-R169 VanDerWaalsContact OD1-CD 3.27Å; D166-R169 WeakPolarHBondContact OD1-CD 3.17Å; D166-R169 IonicContact OD1-CZ 3.67Å; D166-R169 IonicContact OD1-NE 3.43Å; D166-R169 IonicContact OD1-NH1 3.65Å; D166-R169 PolarHBondContact OD1-NH1 2.86Å; D166-R169 IonicContact OD2-NH1 2.73Å; R169-N171 PolarHBondContact O-N 3.46Å; R169-D172 WeakPolarHBondContact O-CB 3.04Å; R169-D172 PolarHBondContact O-N 3.05Å; R169-L175 WeakPolarHBondContact O-CD1 3.04Å
170	L	57.6	Low	69.6	Low	70 Å²	70	70.4 Å²	70.4	37%	0.366	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13	173.2	-66.7	175.4	0	0	0	113.9	D166 L175 S197 E398	D166-L170 VanDerWaalsContact O-CG 3.28Å; D166-L170 WeakPolarHBondContact O-CG 3.28Å; D166-L170 PolarHBondContact O-N 3.24Å; L170-L175 VanDerWaalsContact O-CD1 3.23Å; L170-L175 WeakPolarHBondContact O-CD1 3.49Å; L170-S197 WeakPolarHBondContact CD2-OG 3.38Å; L170-E398 WeakPolarHBondContact CD2-OE1 3.42Å
171	N	56.6	Low	72.1	Confident	135 Å²	135	68 Å²	68	72%	0.722	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	26.6	174.3	-73.6	-93.1	0	0	0	111.8	K167 R168 R169 E173	K167-N171 PolarHBondContact O-N 3.04Å; K167-N171 PolarHBondContact O-ND2 3.35Å; R168-N171 CarbonylContact O-C 3.57Å; R168-N171 PolarHBondContact O-N 2.73Å; R169-N171 PolarHBondContact O-N 3.46Å; N171-E173 PolarHBondContact O-N 3.06Å
172	D	76.7	Confident	74.3	Confident	29 Å²	29	62.9 Å²	62.9	16%	0.155	30%	0.298	C	S	.	.			trans	-67.7	121.1	169	-174.6	-23.1	0	0	0	109.4	R169 L174 L175 C211 R226	R169-D172 WeakPolarHBondContact O-CB 3.04Å; R169-D172 PolarHBondContact O-N 3.05Å; D172-L174 PolarHBondContact O-N 3.07Å; D172-L174 WeakPolarHBondContact OD1-CB 3.27Å; D172-L174 PolarHBondContact OD1-N 3.29Å; D172-L175 HydrophobicContact CB-CD1 4.28Å; D172-L175 HydrophobicContact CB-CG 4.16Å; D172-L175 WeakPolarHBondContact O-CB 2.99Å; D172-L175 WeakPolarHBondContact O-CG 3.11Å; D172-L175 PolarHBondContact O-N 3.12Å; D172-C211 PolarHBondContact OD2-SG 3.09Å; D172-C211 VanDerWaalsContact OD2-SG 3.38Å; D172-R226 IonicContact OD2-CZ 2.74Å; D172-R226 IonicContact OD2-NE 3.01Å; D172-R226 PolarHBondContact OD2-NE 3.17Å; D172-R226 IonicContact OD2-NH2 3.78Å; D172-R226 PolarHBondContact OD2-NH2 2.8Å
173	E	84.2	Confident	75.5	Confident	152 Å²	152	58.2 Å²	58.2	71%	0.71	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-10.7	-177.9	-156	-137.5	127.3	0	0	113.5	N171 K177	N171-E173 PolarHBondContact O-N 3.06Å; E173-K177 WeakPolarHBondContact O-CD 3.49Å; E173-K177 WeakPolarHBondContact O-CE 3.35Å; E173-K177 PolarHBondContact O-NZ 3.28Å; E173-K177 IonicContact OE1-NZ 2.62Å; E173-K177 PolarHBondContact OE1-NZ 2.86Å
174	L	87.3	Confident	76.1	Confident	33 Å²	33	58 Å²	58	17%	0.173	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-16.1	174.8	-63.3	177.7	0	0	0	114.3	D172 K177 V195	D172-L174 PolarHBondContact O-N 3.07Å; D172-L174 WeakPolarHBondContact OD1-CB 3.27Å; D172-L174 PolarHBondContact OD1-N 3.29Å; L174-K177 WeakPolarHBondContact O-CB 3.39Å; L174-K177 PolarHBondContact O-N 3.01Å; L174-K177 VanDerWaalsContact O-N 3.16Å; L174-V195 HydrophobicContact CB-CB 4.47Å; L174-V195 HydrophobicContact CB-CG1 4.19Å; L174-V195 HydrophobicContact CB-CG2 4.24Å; L174-V195 VanDerWaalsContact O-CB 3.31Å; L174-V195 WeakPolarHBondContact O-CB 3.28Å
175	L	88.8	Confident	76.8	Confident	33 Å²	33	61.1 Å²	61.1	17%	0.173	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	139.2	-178.7	-69.7	167.9	0	0	0	112.1	R169 L170 D172 K177 V195 I196	R169-L175 WeakPolarHBondContact O-CD1 3.04Å; L170-L175 VanDerWaalsContact O-CD1 3.23Å; L170-L175 WeakPolarHBondContact O-CD1 3.49Å; D172-L175 HydrophobicContact CB-CD1 4.28Å; D172-L175 HydrophobicContact CB-CG 4.16Å; D172-L175 WeakPolarHBondContact O-CB 2.99Å; D172-L175 WeakPolarHBondContact O-CG 3.11Å; D172-L175 PolarHBondContact O-N 3.12Å; L175-K177 PolarHBondContact O-N 3.32Å; L175-V195 HydrophobicContact CD2-CG1 4.35Å; L175-I196 WeakPolarHBondContact CD2-O 3.32Å
176	G	88.3	Confident	77.3	Confident	3 Å²	3	63.9 Å²	63.9	3%	0.031	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	-9.5	-179.7	0	0	0	0	0	114.7	L194 V195 S402 N404	G176-L194 WeakPolarHBondContact O-CD1 3.18Å; G176-V195 PolarHBondContact N-O 2.76Å; G176-S402 WeakPolarHBondContact CA-O 3.29Å; G176-S402 PolarHBondContact N-O 3.46Å; G176-N404 WeakPolarHBondContact CA-OD1 3.45Å
177	K	90.4	Very high	77.5	Confident	50 Å²	50	71.4 Å²	71.4	22%	0.217	35%	0.354	C	S	.	.			trans	-83.8	142.4	173.2	-57.6	-177.2	-179.7	161.5	0	110.6	E173 L174 L175 V195 Q231	E173-K177 WeakPolarHBondContact O-CD 3.49Å; E173-K177 WeakPolarHBondContact O-CE 3.35Å; E173-K177 PolarHBondContact O-NZ 3.28Å; E173-K177 IonicContact OE1-NZ 2.62Å; E173-K177 PolarHBondContact OE1-NZ 2.86Å; L174-K177 WeakPolarHBondContact O-CB 3.39Å; L174-K177 PolarHBondContact O-N 3.01Å; L174-K177 VanDerWaalsContact O-N 3.16Å; L175-K177 PolarHBondContact O-N 3.32Å; K177-V195 PolarHBondContact O-N 2.89Å; K177-V195 VanDerWaalsContact O-N 3.14Å; K177-Q231 HydrophobicContact CD-CG 4.42Å
178	V	92.3	Very high	77.9	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.03	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.7	166.6	-175.8	0	0	0	0	109.3	P192 A193 L194 F216 I234 A251 F254 L255	V178-P192 HydrophobicContact CG1-CB 4.2Å; V178-A193 WeakPolarHBondContact CA-O 3.49Å; V178-L194 HydrophobicContact CG2-CD1 4.06Å; V178-F216 HydrophobicContact CB-CE2 4.35Å; V178-F216 HydrophobicContact CG1-CD2 4.25Å; V178-F216 HydrophobicContact CG1-CE2 3.7Å; V178-F216 HydrophobicContact CG2-CE2 3.73Å; V178-F216 HydrophobicContact CG2-CZ 3.84Å; V178-I234 HydrophobicContact CB-CD1 4.41Å; V178-I234 HydrophobicContact CG1-CD1 3.51Å; V178-A251 HydrophobicContact CG1-CB 4.15Å; V178-F254 HydrophobicContact CG2-CD1 4.08Å; V178-F254 HydrophobicContact CG2-CE1 4.35Å; V178-L255 HydrophobicContact CB-CD1 4.2Å; V178-L255 HydrophobicContact CB-CD2 4.47Å; V178-L255 HydrophobicContact CG2-CD1 4.13Å; V178-L255 HydrophobicContact CG2-CD2 3.88Å; V178-L255 HydrophobicContact CG2-CG 3.92Å
179	V	93.2	Very high	79	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.2	-175.8	-63.2	0	0	0	0	110.7	V181 P192 A193 V195 I229	V179-V181 HydrophobicContact CG2-CG2 4.36Å; V179-P192 WeakPolarHBondContact O-CA 3.28Å; V179-A193 WeakPolarHBondContact CG2-O 3.4Å; V179-A193 PolarHBondContact N-O 2.92Å; V179-A193 PolarHBondContact O-N 2.9Å; V179-V195 HydrophobicContact CB-CG2 4.23Å; V179-V195 HydrophobicContact CG1-CG2 3.6Å; V179-V195 HydrophobicContact CG2-CG2 3.51Å; V179-I229 HydrophobicContact CB-CG2 3.54Å; V179-I229 HydrophobicContact CG1-CG2 3.76Å; V179-I229 HydrophobicContact CG2-CG2 3.58Å
180	S	93	Very high	80.3	Confident	11 Å²	11	69.8 Å²	69.8	8%	0.077	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.7	162.5	58.2	0	0	0	0	109.7	K230	S180-K230 PolarHBondContact N-O 3.49Å; S180-K230 PolarHBondContact O-N 3.5Å; S180-K230 PolarHBondContact OG-O 2.91Å
181	V	93.6	Very high	81.9	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.018	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.7	170	176.8	0	0	0	0	108.1	V179 W190 Y191 A193 V213 I224	V179-V181 HydrophobicContact CG2-CG2 4.36Å; V181-W190 CarbonylContact O-C 3.52Å; V181-W190 WeakPolarHBondContact O-CA 3.28Å; V181-W190 WeakPolarHBondContact O-CB 3.37Å; V181-Y191 HydrophobicContact CB-CD1 4.28Å; V181-Y191 HydrophobicContact CB-CD2 4.25Å; V181-Y191 HydrophobicContact CB-CE1 3.9Å; V181-Y191 HydrophobicContact CB-CE2 3.86Å; V181-Y191 HydrophobicContact CB-CG 4.45Å; V181-Y191 HydrophobicContact CG1-CD1 4.46Å; V181-Y191 HydrophobicContact CG1-CE1 3.66Å; V181-Y191 HydrophobicContact CG1-CE2 4.2Å; V181-Y191 WeakPolarHBondContact CG1-OH 3.35Å; V181-Y191 HydrophobicContact CG2-CE2 4.14Å; V181-Y191 PolarHBondContact N-O 2.69Å; V181-Y191 PolarHBondContact O-N 3.09Å; V181-A193 HydrophobicContact CG2-CB 3.99Å; V181-V213 HydrophobicContact CG2-CG2 4.31Å; V181-I224 HydrophobicContact CG1-CD1 4.15Å; V181-I224 HydrophobicContact CG1-CG1 4.09Å; V181-I224 HydrophobicContact CG1-CG2 3.77Å; V181-I224 HydrophobicContact CG2-CG1 4.5Å; V181-I224 HydrophobicContact CG2-CG2 4.47Å
182	V	90.8	Very high	83.7	Confident	31 Å²	31	62.2 Å²	62.2	19%	0.188	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.6	177.5	-176	0	0	0	0	109.5	A184 D228	V182-A184 PolarHBondContact O-N 3.48Å; V182-D228 PolarHBondContact N-O 2.86Å
183	S	79.9	Confident	84.6	Confident	30 Å²	30	60.9 Å²	60.9	21%	0.21	31%	0.314	C	S	.	.			trans	-66.8	132.1	176.9	-176	0	0	0	0	111.6	T185 E186 E189	S183-T185 PolarHBondContact O-N 2.91Å; S183-T185 PolarHBondContact OG-N 3.4Å; S183-T185 PolarHBondContact OG-OG1 2.86Å; S183-T185 VanDerWaalsContact OG-OG1 3.06Å; S183-E186 CarbonylContact O-C 3.57Å; S183-E186 PolarHBondContact O-N 3.31Å; S183-E189 PolarHBondContact N-O 3.43Å
184	A	68.8	Low	85	Confident	102 Å²	102	53.6 Å²	53.6	84%	0.843	28%	0.28	S	S	*	.	S	Bend	trans	-68.2	-20.1	178.5	0	0	0	0	0	113.2	V182	V182-A184 PolarHBondContact O-N 3.48Å
185	T	68.3	Low	85.3	Confident	122 Å²	122	52.1 Å²	52.1	75%	0.748	27%	0.272	S	S	*	.	S	Bend	trans	-87.8	-39	175.6	53.2	0	0	0	0	112.3	S183	S183-T185 PolarHBondContact O-N 2.91Å; S183-T185 PolarHBondContact OG-N 3.4Å; S183-T185 PolarHBondContact OG-OG1 2.86Å; S183-T185 VanDerWaalsContact OG-OG1 3.06Å
186	E	70.6	Confident	85.5	Confident	114 Å²	114	50.6 Å²	50.6	53%	0.533	26%	0.264	S	S	.	.			trans	-134.4	105.8	-174.2	-64.8	-163.3	-156.9	0	0	111.6	S183 T188 E189	S183-E186 CarbonylContact O-C 3.57Å; S183-E186 PolarHBondContact O-N 3.31Å; E186-T188 PolarHBondContact O-N 2.89Å; E186-E189 HydrophobicContact CB-CB 4.49Å; E186-E189 PolarHBondContact O-N 2.95Å
187	R	63.3	Low	85.6	Confident	234 Å²	234	50.5 Å²	50.5	88%	0.883	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.5	-175.3	-65.3	-176.2	174.6	-139.9	-4.2	115
188	T	67.9	Low	85.5	Confident	126 Å²	126	49.5 Å²	49.5	77%	0.773	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-20.9	176.3	34.8	0	0	0	0	113	E186	E186-T188 PolarHBondContact O-N 2.89Å
189	E	84.4	Confident	85.1	Confident	128 Å²	128	51.6 Å²	51.6	60%	0.598	28%	0.277	S	S	*	.			trans	-101.9	132.4	179.9	-168.3	167.3	-123.7	0	0	110.8	S183 E186	S183-E189 PolarHBondContact N-O 3.43Å; E186-E189 HydrophobicContact CB-CB 4.49Å; E186-E189 PolarHBondContact O-N 2.95Å
190	W	90.2	Very high	84.7	Confident	55 Å²	55	51.6 Å²	51.6	21%	0.208	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	149	179.1	68.7	-92.4	0	0	0	110.2	V181 P192 V232 L237 L248	V181-W190 CarbonylContact O-C 3.52Å; V181-W190 WeakPolarHBondContact O-CA 3.28Å; V181-W190 WeakPolarHBondContact O-CB 3.37Å; W190-P192 HydrophobicContact CZ3-CB 4.41Å; W190-V232 HydrophobicContact CH2-CG1 4.48Å; W190-V232 HydrophobicContact CZ3-CG1 4.32Å; W190-L237 HydrophobicContact CH2-CD1 4.14Å; W190-L237 HydrophobicContact CZ2-CD1 4.5Å; W190-L248 HydrophobicContact CH2-CD1 3.8Å; W190-L248 HydrophobicContact CH2-CD2 3.69Å; W190-L248 HydrophobicContact CH2-CG 3.83Å; W190-L248 HydrophobicContact CZ2-CD1 4.42Å; W190-L248 HydrophobicContact CZ2-CD2 4.02Å; W190-L248 HydrophobicContact CZ3-CD1 3.92Å; W190-L248 HydrophobicContact CZ3-CG 4.3Å
191	Y	92	Very high	84.3	Confident	45 Å²	45	51.5 Å²	51.5	18%	0.176	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.6	176.7	62	-88.3	0	0	0	111.3	V181 A193 I217	V181-Y191 HydrophobicContact CB-CD1 4.28Å; V181-Y191 HydrophobicContact CB-CD2 4.25Å; V181-Y191 HydrophobicContact CB-CE1 3.9Å; V181-Y191 HydrophobicContact CB-CE2 3.86Å; V181-Y191 HydrophobicContact CB-CG 4.45Å; V181-Y191 HydrophobicContact CG1-CD1 4.46Å; V181-Y191 HydrophobicContact CG1-CE1 3.66Å; V181-Y191 HydrophobicContact CG1-CE2 4.2Å; V181-Y191 WeakPolarHBondContact CG1-OH 3.35Å; V181-Y191 HydrophobicContact CG2-CE2 4.14Å; V181-Y191 PolarHBondContact N-O 2.69Å; V181-Y191 PolarHBondContact O-N 3.09Å; Y191-A193 HydrophobicContact CD2-CB 4.36Å; Y191-A193 HydrophobicContact CE2-CB 4.17Å; Y191-I217 VanDerWaalsContact CB-CD1 3.48Å; Y191-I217 HydrophobicContact CG-CD1 4.48Å
192	P	93.8	Very high	83.7	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.6	172.9	29.8	-31	0	0	0	110.6	V178 V179 W190 F216 I234 G247 L248 A251	V178-P192 HydrophobicContact CG1-CB 4.2Å; V179-P192 WeakPolarHBondContact O-CA 3.28Å; W190-P192 HydrophobicContact CZ3-CB 4.41Å; P192-F216 HydrophobicContact CB-CD2 4.22Å; P192-F216 HydrophobicContact CG-CB 4.22Å; P192-F216 PolarHBondContact O-N 3.19Å; P192-I234 HydrophobicContact CB-CD1 3.85Å; P192-G247 VanDerWaalsContact CG-C 3.4Å; P192-G247 VanDerWaalsContact CG-O 3.27Å; P192-G247 WeakPolarHBondContact CG-O 3.46Å; P192-L248 HydrophobicContact CG-CD1 3.87Å; P192-L248 HydrophobicContact CG-CG 4.45Å; P192-A251 HydrophobicContact CB-CB 3.94Å; P192-A251 HydrophobicContact CG-CB 4.18Å
193	A	94.9	Very high	83.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.4	173	0	0	0	0	0	110.2	V178 V179 V181 Y191 V213 R214	V178-A193 WeakPolarHBondContact CA-O 3.49Å; V179-A193 WeakPolarHBondContact CG2-O 3.4Å; V179-A193 PolarHBondContact N-O 2.92Å; V179-A193 PolarHBondContact O-N 2.9Å; V181-A193 HydrophobicContact CG2-CB 3.99Å; Y191-A193 HydrophobicContact CD2-CB 4.36Å; Y191-A193 HydrophobicContact CE2-CB 4.17Å; A193-V213 HydrophobicContact CB-CB 3.79Å; A193-V213 HydrophobicContact CB-CG2 3.76Å; A193-R214 CarbonylContact C-O 3.57Å; A193-R214 VanDerWaalsContact CA-O 3.26Å; A193-R214 WeakPolarHBondContact CA-O 3.24Å; A193-R214 WeakPolarHBondContact CB-O 3.13Å
194	L	93.8	Very high	83.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.6	173.2	-178.5	60.2	0	0	0	109.1	G176 V178 I196 V213 R214 F216 F254 W264 A403	G176-L194 WeakPolarHBondContact O-CD1 3.18Å; V178-L194 HydrophobicContact CG2-CD1 4.06Å; L194-I196 HydrophobicContact CD2-CG2 4.41Å; L194-I196 HydrophobicContact CG-CG2 4.14Å; L194-V213 CarbonylContact O-C 3.52Å; L194-V213 WeakPolarHBondContact O-CA 3.38Å; L194-R214 PolarHBondContact N-O 3.36Å; L194-R214 PolarHBondContact O-N 3.37Å; L194-F216 HydrophobicContact CB-CE2 3.77Å; L194-F216 HydrophobicContact CB-CZ 4.01Å; L194-F254 HydrophobicContact CD1-CE1 3.92Å; L194-F254 HydrophobicContact CD1-CZ 4.48Å; L194-F254 HydrophobicContact CD2-CE1 3.86Å; L194-F254 HydrophobicContact CD2-CZ 3.72Å; L194-W264 HydrophobicContact CB-CH2 3.85Å; L194-W264 HydrophobicContact CD2-CH2 3.92Å; L194-W264 HydrophobicContact CD2-CZ3 3.83Å; L194-A403 HydrophobicContact CD2-CB 3.75Å
195	V	93.4	Very high	84.7	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.9	174.7	-172	0	0	0	0	109.5	L174 L175 G176 K177 V179 C211 V213	L174-V195 HydrophobicContact CB-CB 4.47Å; L174-V195 HydrophobicContact CB-CG1 4.19Å; L174-V195 HydrophobicContact CB-CG2 4.24Å; L174-V195 VanDerWaalsContact O-CB 3.31Å; L174-V195 WeakPolarHBondContact O-CB 3.28Å; L175-V195 HydrophobicContact CD2-CG1 4.35Å; G176-V195 PolarHBondContact N-O 2.76Å; K177-V195 PolarHBondContact O-N 2.89Å; K177-V195 VanDerWaalsContact O-N 3.14Å; V179-V195 HydrophobicContact CB-CG2 4.23Å; V179-V195 HydrophobicContact CG1-CG2 3.6Å; V179-V195 HydrophobicContact CG2-CG2 3.51Å; V195-C211 HydrophobicContact CG1-CB 3.93Å; V195-V213 HydrophobicContact CG2-CG1 4.08Å
196	I	92.5	Very high	85.7	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	166	-174.9	61.1	167.8	0	0	0	111.4	L175 L194 C200 L212 R214 F221 Y399 A403	L175-I196 WeakPolarHBondContact CD2-O 3.32Å; L194-I196 HydrophobicContact CD2-CG2 4.41Å; L194-I196 HydrophobicContact CG-CG2 4.14Å; I196-C200 HydrophobicContact CD1-CB 4.26Å; I196-L212 HydrophobicContact CD1-CD2 3.78Å; I196-L212 HydrophobicContact CD1-CG 4.02Å; I196-L212 HydrophobicContact CG1-CB 4.07Å; I196-L212 HydrophobicContact CG1-CD2 3.95Å; I196-L212 HydrophobicContact CG1-CG 3.88Å; I196-L212 PolarHBondContact N-O 3.03Å; I196-R214 HydrophobicContact CD1-CB 4.49Å; I196-F221 HydrophobicContact CD1-CD1 3.47Å; I196-F221 VanDerWaalsContact CD1-CD1 3.47Å; I196-F221 HydrophobicContact CD1-CE1 3.43Å; I196-F221 VanDerWaalsContact CD1-CE1 3.43Å; I196-Y399 HydrophobicContact CD1-CD2 4.19Å; I196-Y399 HydrophobicContact CD1-CE2 4.29Å; I196-Y399 HydrophobicContact CG2-CD2 4.24Å; I196-Y399 HydrophobicContact CG2-CE2 4Å; I196-A403 HydrophobicContact CG2-CB 4.35Å
197	S	90.3	Very high	86.6	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.007	30%	0.299	C	S	.	.			trans	-67.1	133.3	-178.8	179.6	0	0	0	0	112.3	L170 S199 C200 E398 S402	L170-S197 WeakPolarHBondContact CD2-OG 3.38Å; S197-S199 PolarHBondContact O-N 2.62Å; S197-S199 PolarHBondContact OG-OG 2.76Å; S197-C200 VanDerWaalsContact O-CB 3.29Å; S197-C200 WeakPolarHBondContact O-CB 3.35Å; S197-C200 PolarHBondContact O-N 3.03Å; S197-C200 VanDerWaalsContact O-N 3.09Å; S197-C200 PolarHBondContact O-SG 2.77Å; S197-E398 WeakPolarHBondContact CB-OE1 3.39Å; S197-E398 PolarHBondContact OG-OE1 2.92Å; S197-S402 VanDerWaalsContact CB-CB 3.47Å; S197-S402 WeakPolarHBondContact CB-OG 3.48Å; S197-S402 PolarHBondContact N-OG 3.35Å
198	P	88.4	Confident	87.7	Confident	29 Å²	29	55.3 Å²	55.3	19%	0.188	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-54.6	-31.6	176.7	-29	37	0	0	0	114.7	C200 N201 V206	P198-C200 PolarHBondContact O-N 2.78Å; P198-C200 VanDerWaalsContact O-N 3.17Å; P198-N201 PolarHBondContact O-N 3.23Å; P198-V206 HydrophobicContact CB-CB 4.16Å; P198-V206 HydrophobicContact CB-CG2 3.89Å; P198-V206 HydrophobicContact CG-CB 4.31Å; P198-V206 HydrophobicContact CG-CG1 4.38Å; P198-V206 HydrophobicContact CG-CG2 4.25Å
199	S	84.8	Confident	88.7	Confident	50 Å²	50	53.8 Å²	53.8	35%	0.35	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-71.7	-2.3	179.6	50.2	0	0	0	0	114.2	S197 N201 E398	S197-S199 PolarHBondContact O-N 2.62Å; S197-S199 PolarHBondContact OG-OG 2.76Å; S199-N201 VanDerWaalsContact C-N 3.28Å; S199-N201 PolarHBondContact O-N 2.83Å; S199-E398 VanDerWaalsContact OG-CG 3.31Å; S199-E398 WeakPolarHBondContact OG-CG 3.37Å
200	C	85	Confident	89.1	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-68.4	-24.7	170.1	-60.8	0	0	0	0	113	I196 S197 P198 L212 F322 Y399	I196-C200 HydrophobicContact CD1-CB 4.26Å; S197-C200 VanDerWaalsContact O-CB 3.29Å; S197-C200 WeakPolarHBondContact O-CB 3.35Å; S197-C200 PolarHBondContact O-N 3.03Å; S197-C200 VanDerWaalsContact O-N 3.09Å; S197-C200 PolarHBondContact O-SG 2.77Å; P198-C200 PolarHBondContact O-N 2.78Å; P198-C200 VanDerWaalsContact O-N 3.17Å; C200-L212 HydrophobicContact CB-CD2 4.41Å; C200-F322 HydrophobicContact CB-CE2 4.19Å; C200-F322 HydrophobicContact CB-CZ 4.33Å; C200-F322 WeakPolarHBondContact O-CZ 3.23Å; C200-Y399 WeakPolarHBondContact SG-CA 3.36Å
201	N	83.4	Confident	89.2	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.043	24%	0.243	C	C	.	.			trans	-146.7	98.8	-174.1	-169.3	-52	0	0	0	112.4	P198 S199 D203 I204 L212 F221	P198-N201 PolarHBondContact O-N 3.23Å; S199-N201 VanDerWaalsContact C-N 3.28Å; S199-N201 PolarHBondContact O-N 2.83Å; N201-D203 VanDerWaalsContact C-N 3.28Å; N201-D203 PolarHBondContact O-N 2.63Å; N201-D203 PolarHBondContact OD1-N 3.28Å; N201-I204 HydrophobicContact CB-CD1 4.47Å; N201-I204 PolarHBondContact O-N 2.97Å; N201-I204 WeakPolarHBondContact OD1-CG1 3.45Å; N201-I204 PolarHBondContact OD1-N 2.93Å; N201-L212 HydrophobicContact CB-CD2 4.14Å; N201-F221 WeakPolarHBondContact ND2-CD2 3.46Å
202	D	81.1	Confident	89.2	Confident	122 Å²	122	44.4 Å²	44.4	65%	0.652	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.9	-176.2	-47.4	-99.6	0	0	0	114.4	I204 R326	D202-I204 VanDerWaalsContact C-N 3.35Å; D202-R326 IonicContact OD2-CZ 3.45Å; D202-R326 IonicContact OD2-NH2 2.64Å; D202-R326 PolarHBondContact OD2-NH2 2.76Å
203	D	83.9	Confident	89.2	Confident	136 Å²	136	44.4 Å²	44.4	73%	0.727	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-24	179.7	-79.9	-27.2	0	0	0	112.1	N201 T205	N201-D203 VanDerWaalsContact C-N 3.28Å; N201-D203 PolarHBondContact O-N 2.63Å; N201-D203 PolarHBondContact OD1-N 3.28Å; D203-T205 PolarHBondContact O-N 2.79Å
204	I	88.1	Confident	89.2	Confident	41 Å²	41	44.4 Å²	44.4	21%	0.21	23%	0.234	C	C	.	.	S	Bend	trans	-96.8	92.6	-179.4	-58.9	171.9	0	0	0	109.9	N201 D202 V206 L212 F221	N201-I204 HydrophobicContact CB-CD1 4.47Å; N201-I204 PolarHBondContact O-N 2.97Å; N201-I204 WeakPolarHBondContact OD1-CG1 3.45Å; N201-I204 PolarHBondContact OD1-N 2.93Å; D202-I204 VanDerWaalsContact C-N 3.35Å; I204-V206 PolarHBondContact O-N 3.45Å; I204-L212 HydrophobicContact CB-CD1 4.09Å; I204-L212 HydrophobicContact CD1-CD1 4.12Å; I204-L212 HydrophobicContact CG2-CD1 3.63Å; I204-F221 HydrophobicContact CD1-CB 3.47Å; I204-F221 VanDerWaalsContact CD1-CB 3.47Å
205	T	88.1	Confident	89.2	Confident	117 Å²	117	44.5 Å²	44.5	72%	0.718	24%	0.235	S	C	*	.			trans	-66.8	103.2	175.4	-48.3	0	0	0	0	111.6	D203	D203-T205 PolarHBondContact O-N 2.79Å
206	V	89.7	Confident	89.1	Confident	23 Å²	23	44.5 Å²	44.5	14%	0.139	23%	0.234	C	C	.	.			trans	-83	136.1	173.8	-170.4	0	0	0	0	110.2	P198 I204 Q210 L212	P198-V206 HydrophobicContact CB-CB 4.16Å; P198-V206 HydrophobicContact CB-CG2 3.89Å; P198-V206 HydrophobicContact CG-CB 4.31Å; P198-V206 HydrophobicContact CG-CG1 4.38Å; P198-V206 HydrophobicContact CG-CG2 4.25Å; I204-V206 PolarHBondContact O-N 3.45Å; V206-Q210 HydrophobicContact CG1-CB 3.83Å; V206-Q210 WeakPolarHBondContact CG1-O 3.38Å; V206-L212 HydrophobicContact CG2-CB 3.95Å; V206-L212 HydrophobicContact CG2-CD1 4.19Å
207	K	90.1	Very high	89	Confident	133 Å²	133	49 Å²	49	58%	0.578	26%	0.258	S	S	*	.			trans	-93.3	163.9	174.3	-61.6	171.8	-167.7	162.6	0	112	D209 Q210	K207-D209 WeakPolarHBondContact CB-OD1 3.47Å; K207-D209 PolarHBondContact O-N 3.41Å; K207-Q210 HydrophobicContact CB-CB 4.5Å; K207-Q210 HydrophobicContact CB-CG 4.13Å; K207-Q210 VanDerWaalsContact CG-OE1 3.24Å; K207-Q210 WeakPolarHBondContact O-CA 3.14Å; K207-Q210 PolarHBondContact O-N 2.77Å
208	K	85.8	Confident	89	Confident	144 Å²	144	51.3 Å²	51.3	63%	0.626	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22	177.3	-167.9	166.8	-176.3	169.9	0	114.7	E165 R226	E165-K208 WeakPolarHBondContact OE1-CE 3.44Å; E165-K208 IonicContact OE1-NZ 2.68Å; E165-K208 PolarHBondContact OE1-NZ 3.35Å; K208-R226 PolarHBondContact O-NH1 3.46Å
209	D	89	Confident	89.1	Confident	94 Å²	94	50.4 Å²	50.4	50%	0.503	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	5	174.6	66.4	-50.3	0	0	0	114.4	K207 A225 R226	K207-D209 WeakPolarHBondContact CB-OD1 3.47Å; K207-D209 PolarHBondContact O-N 3.41Å; D209-A225 WeakPolarHBondContact O-CA 3.4Å; D209-R226 PolarHBondContact O-N 2.65Å
210	Q	92.9	Very high	89.3	Confident	28 Å²	28	53.2 Å²	53.2	13%	0.131	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	161.3	-176.5	-58.6	-177.3	-76.5	0	0	112	V206 K207 S223 I224 A225	V206-Q210 HydrophobicContact CG1-CB 3.83Å; V206-Q210 WeakPolarHBondContact CG1-O 3.38Å; K207-Q210 HydrophobicContact CB-CB 4.5Å; K207-Q210 HydrophobicContact CB-CG 4.13Å; K207-Q210 VanDerWaalsContact CG-OE1 3.24Å; K207-Q210 WeakPolarHBondContact O-CA 3.14Å; K207-Q210 PolarHBondContact O-N 2.77Å; Q210-S223 PolarHBondContact NE2-O 3.42Å; Q210-S223 VanDerWaalsContact NE2-O 3.07Å; Q210-I224 CarbonylContact C-O 3.51Å; Q210-I224 WeakPolarHBondContact CA-O 3.37Å; Q210-I224 VanDerWaalsContact CB-O 3.32Å; Q210-I224 WeakPolarHBondContact CB-O 3.24Å; Q210-A225 HydrophobicContact CG-CB 4.32Å
211	C	91.8	Very high	89.6	Confident	4 Å²	4	54 Å²	54	3%	0.027	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	156.5	166.3	-61.1	0	0	0	0	109.8	D172 V195 V213 S223 I224 R226 I229	D172-C211 PolarHBondContact OD2-SG 3.09Å; D172-C211 VanDerWaalsContact OD2-SG 3.38Å; V195-C211 HydrophobicContact CG1-CB 3.93Å; C211-V213 HydrophobicContact CB-CG1 4.46Å; C211-S223 WeakPolarHBondContact O-CA 3.45Å; C211-I224 PolarHBondContact N-O 3.15Å; C211-I224 PolarHBondContact O-N 3.1Å; C211-R226 VanDerWaalsContact SG-CG 3.53Å; C211-R226 PolarHBondContact SG-NE 3.49Å; C211-R226 VanDerWaalsContact SG-NE 3.36Å; C211-I229 HydrophobicContact CB-CD1 3.88Å
212	L	93.2	Very high	90.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.4	163.7	-166.3	64.6	0	0	0	108.7	I196 C200 N201 I204 V206 F221	I196-L212 HydrophobicContact CD1-CD2 3.78Å; I196-L212 HydrophobicContact CD1-CG 4.02Å; I196-L212 HydrophobicContact CG1-CB 4.07Å; I196-L212 HydrophobicContact CG1-CD2 3.95Å; I196-L212 HydrophobicContact CG1-CG 3.88Å; I196-L212 PolarHBondContact N-O 3.03Å; C200-L212 HydrophobicContact CB-CD2 4.41Å; N201-L212 HydrophobicContact CB-CD2 4.14Å; I204-L212 HydrophobicContact CB-CD1 4.09Å; I204-L212 HydrophobicContact CD1-CD1 4.12Å; I204-L212 HydrophobicContact CG2-CD1 3.63Å; V206-L212 HydrophobicContact CG2-CB 3.95Å; V206-L212 HydrophobicContact CG2-CD1 4.19Å; L212-F221 HydrophobicContact CD1-CB 4.24Å
213	V	93.8	Very high	90.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143	177.1	-50.9	0	0	0	0	111.4	V181 A193 L194 V195 C211 F221 Y222 I224 I229	V181-V213 HydrophobicContact CG2-CG2 4.31Å; A193-V213 HydrophobicContact CB-CB 3.79Å; A193-V213 HydrophobicContact CB-CG2 3.76Å; L194-V213 CarbonylContact O-C 3.52Å; L194-V213 WeakPolarHBondContact O-CA 3.38Å; V195-V213 HydrophobicContact CG2-CG1 4.08Å; C211-V213 HydrophobicContact CB-CG1 4.46Å; V213-F221 CarbonylContact O-C 3.58Å; V213-F221 VanDerWaalsContact O-CA 3.31Å; V213-F221 WeakPolarHBondContact O-CA 3.41Å; V213-Y222 PolarHBondContact N-O 3.46Å; V213-Y222 PolarHBondContact O-N 3.37Å; V213-I224 HydrophobicContact CG2-CG1 3.71Å; V213-I229 HydrophobicContact CG1-CD1 4.24Å
214	R	93.5	Very high	91.2	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.4	170.8	-160.9	-177.8	-168.7	-173.8	0.9	110.1	A193 L194 I196 S219 K220 F221 W264 D325 Y399	A193-R214 CarbonylContact C-O 3.57Å; A193-R214 VanDerWaalsContact CA-O 3.26Å; A193-R214 WeakPolarHBondContact CA-O 3.24Å; A193-R214 WeakPolarHBondContact CB-O 3.13Å; L194-R214 PolarHBondContact N-O 3.36Å; L194-R214 PolarHBondContact O-N 3.37Å; I196-R214 HydrophobicContact CD1-CB 4.49Å; R214-S219 WeakPolarHBondContact CG-O 3.16Å; R214-S219 PolarHBondContact NE-O 2.92Å; R214-K220 WeakPolarHBondContact CA-O 3.43Å; R214-F221 HydrophobicContact CB-CD1 3.9Å; R214-F221 HydrophobicContact CB-CE1 3.97Å; R214-F221 HydrophobicContact CG-CD1 3.83Å; R214-F221 HydrophobicContact CG-CE1 3.69Å; R214-W264 HydrophobicContact CB-CH2 4.27Å; R214-W264 HydrophobicContact CB-CZ2 4.18Å; R214-W264 HydrophobicContact CG-CH2 4.37Å; R214-W264 HydrophobicContact CG-CZ2 3.95Å; R214-D325 IonicContact CZ-OD2 2.71Å; R214-D325 IonicContact NE-OD2 3.74Å; R214-D325 IonicContact NH2-OD2 3.6Å; R214-D325 PolarHBondContact NH2-OD2 3.22Å; R214-Y399 PolarHBondContact NH1-OH 2.94Å
215	S	93.6	Very high	91.4	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.6	-178	164.6	0	0	0	0	112.4	I217 D218 S219 K220 W264	S215-I217 VanDerWaalsContact C-N 3.26Å; S215-I217 PolarHBondContact O-N 3.11Å; S215-I217 PolarHBondContact OG-N 2.92Å; S215-D218 WeakPolarHBondContact CB-OD1 3.31Å; S215-D218 PolarHBondContact OG-N 2.77Å; S215-D218 PolarHBondContact OG-OD1 3.41Å; S215-S219 VanDerWaalsContact O-CA 3.3Å; S215-S219 WeakPolarHBondContact O-CA 3.04Å; S215-S219 PolarHBondContact O-N 3.38Å; S215-K220 PolarHBondContact N-O 3.13Å; S215-W264 PolarHBondContact O-NE1 3.36Å
216	F	92.5	Very high	91.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.1	172.3	-77.5	-84	0	0	0	113	V178 P192 L194 K250 A251 F254 P261 W264	V178-F216 HydrophobicContact CB-CE2 4.35Å; V178-F216 HydrophobicContact CG1-CD2 4.25Å; V178-F216 HydrophobicContact CG1-CE2 3.7Å; V178-F216 HydrophobicContact CG2-CE2 3.73Å; V178-F216 HydrophobicContact CG2-CZ 3.84Å; P192-F216 HydrophobicContact CB-CD2 4.22Å; P192-F216 HydrophobicContact CG-CB 4.22Å; P192-F216 PolarHBondContact O-N 3.19Å; L194-F216 HydrophobicContact CB-CE2 3.77Å; L194-F216 HydrophobicContact CB-CZ 4.01Å; F216-K250 HydrophobicContact CD1-CB 4.28Å; F216-K250 WeakPolarHBondContact O-CD 3.46Å; F216-A251 HydrophobicContact CB-CB 4.48Å; F216-A251 HydrophobicContact CD1-CB 4.1Å; F216-A251 HydrophobicContact CD2-CB 3.89Å; F216-A251 HydrophobicContact CE1-CB 4.31Å; F216-A251 HydrophobicContact CE2-CB 4.11Å; F216-A251 HydrophobicContact CG-CB 3.9Å; F216-A251 HydrophobicContact CZ-CB 4.31Å; F216-F254 HydrophobicContact CE1-CB 3.74Å; F216-F254 HydrophobicContact CE1-CD1 4.07Å; F216-F254 AromaticContact CE1-CG 3.88Å; F216-F254 HydrophobicContact CE1-CG 3.88Å; F216-F254 HydrophobicContact CZ-CB 4.18Å; F216-F254 AromaticContact CZ-CD1 3.66Å; F216-F254 HydrophobicContact CZ-CD1 3.66Å; F216-F254 HydrophobicContact CZ-CE1 4.29Å; F216-F254 AromaticContact CZ-CG 3.98Å; F216-F254 HydrophobicContact CZ-CG 3.98Å; F216-P261 HydrophobicContact CD1-CG 3.83Å; F216-P261 HydrophobicContact CE1-CG 4.09Å; F216-W264 HydrophobicContact CD1-CH2 4Å; F216-W264 AromaticContact CD1-CZ2 3.77Å; F216-W264 HydrophobicContact CD1-CZ2 3.77Å; F216-W264 HydrophobicContact CD2-CH2 4.46Å; F216-W264 HydrophobicContact CD2-CZ2 4.33Å; F216-W264 AromaticContact CE1-CH2 3.58Å; F216-W264 HydrophobicContact CE1-CH2 3.58Å; F216-W264 AromaticContact CE1-CZ2 3.86Å; F216-W264 HydrophobicContact CE1-CZ2 3.86Å; F216-W264 HydrophobicContact CE1-CZ3 4.21Å; F216-W264 HydrophobicContact CE2-CH2 4.09Å; F216-W264 HydrophobicContact CE2-CZ2 4.41Å; F216-W264 HydrophobicContact CG-CH2 4.42Å; F216-W264 HydrophobicContact CG-CZ2 4.01Å; F216-W264 AromaticContact CZ-CH2 3.63Å; F216-W264 HydrophobicContact CZ-CH2 3.63Å; F216-W264 HydrophobicContact CZ-CZ2 4.18Å; F216-W264 HydrophobicContact CZ-CZ3 4.39Å
217	I	90.9	Very high	91.5	Very high	96 Å²	96	53.2 Å²	53.2	49%	0.492	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-51.5	179.8	-62.5	-175.4	0	0	0	110.6	Y191 S215	Y191-I217 VanDerWaalsContact CB-CD1 3.48Å; Y191-I217 HydrophobicContact CG-CD1 4.48Å; S215-I217 VanDerWaalsContact C-N 3.26Å; S215-I217 PolarHBondContact O-N 3.11Å; S215-I217 PolarHBondContact OG-N 2.92Å
218	D	89.8	Confident	91.6	Very high	50 Å²	50	49.5 Å²	49.5	27%	0.267	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	14.8	-166.3	81.2	-47.9	0	0	0	114.7	S215 K220 Y222	S215-D218 WeakPolarHBondContact CB-OD1 3.31Å; S215-D218 PolarHBondContact OG-N 2.77Å; S215-D218 PolarHBondContact OG-OD1 3.41Å; D218-K220 PolarHBondContact O-N 2.88Å; D218-K220 IonicContact OD2-NZ 2.66Å; D218-K220 PolarHBondContact OD2-NZ 3.35Å; D218-Y222 PolarHBondContact OD2-OH 3.11Å
219	S	89.4	Confident	91.9	Very high	10 Å²	10	43.3 Å²	43.3	7%	0.07	21%	0.209	C	C	.	.			trans	69.5	-10.6	173.5	-43.9	0	0	0	0	117.3	R214 S215 N263	R214-S219 WeakPolarHBondContact CG-O 3.16Å; R214-S219 PolarHBondContact NE-O 2.92Å; S215-S219 VanDerWaalsContact O-CA 3.3Å; S215-S219 WeakPolarHBondContact O-CA 3.04Å; S215-S219 PolarHBondContact O-N 3.38Å; S219-N263 WeakPolarHBondContact CB-O 3.45Å; S219-N263 PolarHBondContact OG-ND2 2.59Å; S219-N263 PolarHBondContact OG-O 3.14Å
220	K	89.9	Confident	92	Very high	108 Å²	108	45 Å²	45	47%	0.47	21%	0.212	S	C	.	.			trans	-81.3	155.8	-169.3	-67.3	-174.4	-158.6	91.6	0	114.2	R214 S215 D218 Y222	R214-K220 WeakPolarHBondContact CA-O 3.43Å; S215-K220 PolarHBondContact N-O 3.13Å; D218-K220 PolarHBondContact O-N 2.88Å; D218-K220 IonicContact OD2-NZ 2.66Å; D218-K220 PolarHBondContact OD2-NZ 3.35Å; K220-Y222 HydrophobicContact CB-CD2 4.48Å; K220-Y222 HydrophobicContact CB-CE2 3.69Å; K220-Y222 WeakPolarHBondContact O-CD2 3.31Å
221	F	92.1	Very high	91.7	Very high	17 Å²	17	49.2 Å²	49.2	8%	0.075	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.2	175.1	-56.4	-63.2	0	0	0	111.6	I196 N201 I204 L212 V213 R214 F322 D325 Y399	I196-F221 HydrophobicContact CD1-CD1 3.47Å; I196-F221 VanDerWaalsContact CD1-CD1 3.47Å; I196-F221 HydrophobicContact CD1-CE1 3.43Å; I196-F221 VanDerWaalsContact CD1-CE1 3.43Å; N201-F221 WeakPolarHBondContact ND2-CD2 3.46Å; I204-F221 HydrophobicContact CD1-CB 3.47Å; I204-F221 VanDerWaalsContact CD1-CB 3.47Å; L212-F221 HydrophobicContact CD1-CB 4.24Å; V213-F221 CarbonylContact O-C 3.58Å; V213-F221 VanDerWaalsContact O-CA 3.31Å; V213-F221 WeakPolarHBondContact O-CA 3.41Å; R214-F221 HydrophobicContact CB-CD1 3.9Å; R214-F221 HydrophobicContact CB-CE1 3.97Å; R214-F221 HydrophobicContact CG-CD1 3.83Å; R214-F221 HydrophobicContact CG-CE1 3.69Å; F221-F322 HydrophobicContact CZ-CD2 4.02Å; F221-F322 HydrophobicContact CZ-CE2 4.14Å; F221-D325 HydrophobicContact CD2-CB 4.38Å; F221-D325 HydrophobicContact CE2-CB 3.7Å; F221-D325 HydrophobicContact CZ-CB 4.43Å; F221-Y399 HydrophobicContact CE1-CE2 4.4Å
222	Y	92.5	Very high	91.3	Very high	84 Å²	84	50.6 Å²	50.6	33%	0.329	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.9	-179.3	-66.5	-76.3	0	0	0	112	V213 D218 K220	V213-Y222 PolarHBondContact N-O 3.46Å; V213-Y222 PolarHBondContact O-N 3.37Å; D218-Y222 PolarHBondContact OD2-OH 3.11Å; K220-Y222 HydrophobicContact CB-CD2 4.48Å; K220-Y222 HydrophobicContact CB-CE2 3.69Å; K220-Y222 WeakPolarHBondContact O-CD2 3.31Å
223	S	94.3	Very high	91	Very high	45 Å²	45	54.6 Å²	54.6	32%	0.315	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	99.8	170.5	51.3	0	0	0	0	111	Q210 C211	Q210-S223 PolarHBondContact NE2-O 3.42Å; Q210-S223 VanDerWaalsContact NE2-O 3.07Å; C211-S223 WeakPolarHBondContact O-CA 3.45Å
224	I	93.6	Very high	90.6	Very high	28 Å²	28	54.6 Å²	54.6	14%	0.144	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.9	-173.7	-56.5	-60.7	0	0	0	109.8	V181 Q210 C211 V213 D228 I229	V181-I224 HydrophobicContact CG1-CD1 4.15Å; V181-I224 HydrophobicContact CG1-CG1 4.09Å; V181-I224 HydrophobicContact CG1-CG2 3.77Å; V181-I224 HydrophobicContact CG2-CG1 4.5Å; V181-I224 HydrophobicContact CG2-CG2 4.47Å; Q210-I224 CarbonylContact C-O 3.51Å; Q210-I224 WeakPolarHBondContact CA-O 3.37Å; Q210-I224 VanDerWaalsContact CB-O 3.32Å; Q210-I224 WeakPolarHBondContact CB-O 3.24Å; C211-I224 PolarHBondContact N-O 3.15Å; C211-I224 PolarHBondContact O-N 3.1Å; V213-I224 HydrophobicContact CG2-CG1 3.71Å; I224-D228 HydrophobicContact CG2-CB 4.3Å; I224-I229 HydrophobicContact CB-CD1 4.13Å; I224-I229 HydrophobicContact CB-CG1 4.2Å; I224-I229 HydrophobicContact CG2-CD1 4.04Å; I224-I229 HydrophobicContact CG2-CG1 3.57Å
225	A	93	Very high	90.1	Very high	13 Å²	13	58.5 Å²	58.5	11%	0.107	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.6	177.6	0	0	0	0	0	111.3	D209 Q210 K227 D228	D209-A225 WeakPolarHBondContact O-CA 3.4Å; Q210-A225 HydrophobicContact CG-CB 4.32Å; A225-K227 HydrophobicContact CB-CD 4.39Å; A225-K227 HydrophobicContact CB-CG 4.17Å; A225-K227 PolarHBondContact O-N 3.43Å; A225-D228 PolarHBondContact O-N 3.12Å
226	R	90.2	Very high	89.6	Confident	92 Å²	92	64.8 Å²	64.8	35%	0.347	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-54.8	-29.2	-173.5	-72.1	-159.3	-172.8	88.5	1.6	114.1	D172 K208 D209 C211 D228 I229	D172-R226 IonicContact OD2-CZ 2.74Å; D172-R226 IonicContact OD2-NE 3.01Å; D172-R226 PolarHBondContact OD2-NE 3.17Å; D172-R226 IonicContact OD2-NH2 3.78Å; D172-R226 PolarHBondContact OD2-NH2 2.8Å; K208-R226 PolarHBondContact O-NH1 3.46Å; D209-R226 PolarHBondContact O-N 2.65Å; C211-R226 VanDerWaalsContact SG-CG 3.53Å; C211-R226 PolarHBondContact SG-NE 3.49Å; C211-R226 VanDerWaalsContact SG-NE 3.36Å; R226-D228 VanDerWaalsContact C-N 3.27Å; R226-D228 PolarHBondContact O-N 2.75Å; R226-I229 PolarHBondContact O-N 2.94Å
227	K	90.1	Very high	89.3	Confident	168 Å²	168	66.4 Å²	66.4	73%	0.73	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.5	175.9	74.3	-172.5	-175.1	-176.4	0	114.4	A225	A225-K227 HydrophobicContact CB-CD 4.39Å; A225-K227 HydrophobicContact CB-CG 4.17Å; A225-K227 PolarHBondContact O-N 3.43Å
228	D	91.9	Very high	89.1	Confident	56 Å²	56	65.3 Å²	65.3	30%	0.299	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-99.1	-1.2	-177.5	-54	-49.9	0	0	0	111	V182 I224 A225 R226	V182-D228 PolarHBondContact N-O 2.86Å; I224-D228 HydrophobicContact CG2-CB 4.3Å; A225-D228 PolarHBondContact O-N 3.12Å; R226-D228 VanDerWaalsContact C-N 3.27Å; R226-D228 PolarHBondContact O-N 2.75Å
229	I	92.6	Very high	88.7	Confident	13 Å²	13	70 Å²	70	7%	0.067	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.6	174.3	-57.1	179.8	0	0	0	108.8	V179 C211 V213 I224 R226	V179-I229 HydrophobicContact CB-CG2 3.54Å; V179-I229 HydrophobicContact CG1-CG2 3.76Å; V179-I229 HydrophobicContact CG2-CG2 3.58Å; C211-I229 HydrophobicContact CB-CD1 3.88Å; V213-I229 HydrophobicContact CG1-CD1 4.24Å; I224-I229 HydrophobicContact CB-CD1 4.13Å; I224-I229 HydrophobicContact CB-CG1 4.2Å; I224-I229 HydrophobicContact CG2-CD1 4.04Å; I224-I229 HydrophobicContact CG2-CG1 3.57Å; R226-I229 PolarHBondContact O-N 2.94Å
230	K	89.6	Confident	88.4	Confident	130 Å²	130	73.8 Å²	73.8	57%	0.565	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.8	166.2	-56.6	173.1	-175.6	171.6	0	109.7	S180 V232	S180-K230 PolarHBondContact N-O 3.49Å; S180-K230 PolarHBondContact O-N 3.5Å; S180-K230 PolarHBondContact OG-O 2.91Å; K230-V232 PolarHBondContact O-N 3.17Å
231	Q	87.3	Confident	88.1	Confident	117 Å²	117	71.4 Å²	71.4	55%	0.547	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	130.1	165.8	-175.9	176.4	-24.6	0	0	108.6	K177	K177-Q231 HydrophobicContact CD-CG 4.42Å
232	V	84.5	Confident	87.7	Confident	33 Å²	33	71.4 Å²	71.4	20%	0.2	36%	0.361	C	S	.	.			trans	-134.8	132.7	-179.9	71.4	0	0	0	0	108.2	W190 K230 I234	W190-V232 HydrophobicContact CH2-CG1 4.48Å; W190-V232 HydrophobicContact CZ3-CG1 4.32Å; K230-V232 PolarHBondContact O-N 3.17Å; V232-I234 HydrophobicContact CG1-CD1 4.2Å; V232-I234 HydrophobicContact CG1-CG1 3.78Å; V232-I234 PolarHBondContact O-N 3.17Å
233	D	85.7	Confident	87.2	Confident	83 Å²	83	71.3 Å²	71.3	44%	0.444	37%	0.373	S	S	.	.			trans	-87.4	93.3	179.3	-170.5	-12.9	0	0	0	110	L235 N236 L237	D233-L235 PolarHBondContact O-N 2.79Å; D233-L235 WeakPolarHBondContact OD1-CB 3.5Å; D233-L235 PolarHBondContact OD1-N 3.3Å; D233-N236 HydrophobicContact CB-CB 4.29Å; D233-N236 PolarHBondContact O-N 3.34Å; D233-N236 PolarHBondContact OD1-N 3.34Å; D233-N236 PolarHBondContact OD2-ND2 3.48Å; D233-L237 PolarHBondContact O-N 2.91Å
234	I	84.6	Confident	86.7	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.6	-178.2	-56.8	-177.5	0	0	0	111.6	V178 P192 V232 N236 L237 L242 A251 L255	V178-I234 HydrophobicContact CB-CD1 4.41Å; V178-I234 HydrophobicContact CG1-CD1 3.51Å; P192-I234 HydrophobicContact CB-CD1 3.85Å; V232-I234 HydrophobicContact CG1-CD1 4.2Å; V232-I234 HydrophobicContact CG1-CG1 3.78Å; V232-I234 PolarHBondContact O-N 3.17Å; I234-N236 VanDerWaalsContact C-N 3.34Å; I234-L237 HydrophobicContact CG1-CD1 4.38Å; I234-L242 HydrophobicContact CG2-CD2 3.55Å; I234-A251 HydrophobicContact CD1-CB 3.59Å; I234-A251 HydrophobicContact CG2-CB 4.5Å; I234-L255 HydrophobicContact CB-CD1 3.9Å; I234-L255 HydrophobicContact CG1-CD1 4.48Å
235	L	83.3	Confident	86.4	Confident	84 Å²	84	74.8 Å²	74.8	44%	0.44	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-25.3	174.3	-57.9	179.7	0	0	0	111.9	D233 L255 K256	D233-L235 PolarHBondContact O-N 2.79Å; D233-L235 WeakPolarHBondContact OD1-CB 3.5Å; D233-L235 PolarHBondContact OD1-N 3.3Å; L235-L255 HydrophobicContact CD1-CB 4.38Å; L235-L255 HydrophobicContact CD2-CB 3.84Å; L235-L255 HydrophobicContact CG-CB 4.18Å; L235-L255 HydrophobicContact CG-CD1 4.44Å; L235-K256 HydrophobicContact CD2-CD 4.42Å; L235-K256 HydrophobicContact CD2-CG 3.58Å
236	N	84.8	Confident	86.2	Confident	133 Å²	133	78.4 Å²	78.4	71%	0.711	41%	0.413	S	S	*	.	S	Bend	trans	-98.5	8.3	177.8	-81.4	-56.7	0	0	0	113.9	D233 I234	D233-N236 HydrophobicContact CB-CB 4.29Å; D233-N236 PolarHBondContact O-N 3.34Å; D233-N236 PolarHBondContact OD1-N 3.34Å; D233-N236 PolarHBondContact OD2-ND2 3.48Å; I234-N236 VanDerWaalsContact C-N 3.34Å
237	L	85.2	Confident	86.2	Confident	35 Å²	35	74.3 Å²	74.3	18%	0.183	40%	0.399	C	S	.	.	S	Bend	trans	-82.3	145.3	170.4	-70.6	178.1	0	0	0	111.1	W190 D233 I234 L242 L248	W190-L237 HydrophobicContact CH2-CD1 4.14Å; W190-L237 HydrophobicContact CZ2-CD1 4.5Å; D233-L237 PolarHBondContact O-N 2.91Å; I234-L237 HydrophobicContact CG1-CD1 4.38Å; L237-L242 HydrophobicContact CB-CD2 3.92Å; L237-L242 HydrophobicContact CB-CG 4.25Å; L237-L242 HydrophobicContact CD1-CD2 4.24Å; L237-L248 HydrophobicContact CD1-CD2 3.93Å
238	P	86	Confident	86.2	Confident	73 Å²	73	66.4 Å²	66.4	47%	0.474	37%	0.365	S	S	.	.			trans	-65.8	142.8	178.1	28.9	-35.2	0	0	0	111.2	S240 E241 L242	P238-S240 PolarHBondContact O-N 3.32Å; P238-S240 VanDerWaalsContact O-N 3.09Å; P238-E241 HydrophobicContact CG-CB 4.17Å; P238-E241 PolarHBondContact O-N 3Å; P238-L242 PolarHBondContact O-N 2.71Å; P238-L242 VanDerWaalsContact O-N 3.14Å
239	E	83.1	Confident	86.1	Confident	149 Å²	149	68.6 Å²	68.6	70%	0.696	37%	0.374	S	S	*	.	H	α-helix	trans	-62.2	-23.6	-175.3	-58.4	-167.8	135.5	0	0	113.4	L242 S243	E239-L242 PolarHBondContact O-N 3.48Å; E239-S243 VanDerWaalsContact O-CB 3.31Å; E239-S243 WeakPolarHBondContact O-CB 3.23Å; E239-S243 PolarHBondContact O-N 2.9Å; E239-S243 PolarHBondContact O-OG 2.81Å
240	S	82.3	Confident	86.1	Confident	89 Å²	89	71.1 Å²	71.1	62%	0.622	38%	0.384	S	S	*	.	H	α-helix	trans	-66.2	-32.4	170.8	53.6	0	0	0	0	113.6	P238 S243 S244	P238-S240 PolarHBondContact O-N 3.32Å; P238-S240 VanDerWaalsContact O-N 3.09Å; S240-S243 PolarHBondContact O-OG 2.92Å; S240-S244 WeakPolarHBondContact O-CB 3.25Å; S240-S244 PolarHBondContact O-N 2.89Å
241	E	83.4	Confident	86.2	Confident	58 Å²	58	64.9 Å²	64.9	27%	0.271	36%	0.357	S	S	.	.	H	α-helix	trans	-80.3	-39.2	171.6	-173.3	167.4	-168.6	0	0	111.1	P238 S243 S244 K245 L248	P238-E241 HydrophobicContact CG-CB 4.17Å; P238-E241 PolarHBondContact O-N 3Å; E241-S243 PolarHBondContact O-N 3.05Å; E241-S244 PolarHBondContact O-N 3.23Å; E241-S244 PolarHBondContact O-OG 3.25Å; E241-K245 IonicContact OE1-NZ 2.78Å; E241-K245 PolarHBondContact OE1-NZ 3.3Å; E241-L248 HydrophobicContact CG-CD2 3.87Å
242	L	83.6	Confident	86.4	Confident	16 Å²	16	59.7 Å²	59.7	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-45.3	177	-62.8	-179.4	0	0	0	112.4	I234 L237 P238 E239 L248	I234-L242 HydrophobicContact CG2-CD2 3.55Å; L237-L242 HydrophobicContact CB-CD2 3.92Å; L237-L242 HydrophobicContact CB-CG 4.25Å; L237-L242 HydrophobicContact CD1-CD2 4.24Å; P238-L242 PolarHBondContact O-N 2.71Å; P238-L242 VanDerWaalsContact O-N 3.14Å; E239-L242 PolarHBondContact O-N 3.48Å; L242-L248 HydrophobicContact CD2-CB 4Å; L242-L248 HydrophobicContact CD2-CD2 4.31Å
243	S	81.5	Confident	86.7	Confident	83 Å²	83	62 Å²	62	58%	0.58	34%	0.344	S	S	*	.	H	α-helix	trans	-71.3	-28.8	177.5	53.9	0	0	0	0	113.3	E239 S240 E241 K245	E239-S243 VanDerWaalsContact O-CB 3.31Å; E239-S243 WeakPolarHBondContact O-CB 3.23Å; E239-S243 PolarHBondContact O-N 2.9Å; E239-S243 PolarHBondContact O-OG 2.81Å; S240-S243 PolarHBondContact O-OG 2.92Å; E241-S243 PolarHBondContact O-N 3.05Å; S243-K245 PolarHBondContact O-N 3.47Å
244	S	84.3	Confident	86.9	Confident	77 Å²	77	58.1 Å²	58.1	54%	0.538	32%	0.323	S	S	.	.	H	α-helix	trans	-67.4	-18.9	178.9	75.4	0	0	0	0	114.6	S240 E241	S240-S244 WeakPolarHBondContact O-CB 3.25Å; S240-S244 PolarHBondContact O-N 2.89Å; E241-S244 PolarHBondContact O-N 3.23Å; E241-S244 PolarHBondContact O-OG 3.25Å
245	K	88.1	Confident	87.1	Confident	69 Å²	69	59.9 Å²	59.9	30%	0.3	33%	0.333	S	S	.	.			trans	-137	106	-172.4	-69.7	169.5	-172.4	167.4	0	110.5	E241 S243 G247 L248 Q249	E241-K245 IonicContact OE1-NZ 2.78Å; E241-K245 PolarHBondContact OE1-NZ 3.3Å; S243-K245 PolarHBondContact O-N 3.47Å; K245-G247 PolarHBondContact O-N 3.26Å; K245-L248 HydrophobicContact CB-CB 4.24Å; K245-L248 HydrophobicContact CB-CD1 3.75Å; K245-L248 HydrophobicContact CB-CD2 4.46Å; K245-L248 HydrophobicContact CB-CG 4.37Å; K245-L248 HydrophobicContact CD-CD1 3.67Å; K245-L248 HydrophobicContact CD-CD2 4.05Å; K245-L248 HydrophobicContact CD-CG 4.48Å; K245-L248 HydrophobicContact CG-CD1 4.37Å; K245-L248 WeakPolarHBondContact O-CB 3.38Å; K245-L248 PolarHBondContact O-N 3.45Å; K245-Q249 PolarHBondContact O-N 3.31Å
246	P	88.6	Confident	87.3	Confident	88 Å²	88	62 Å²	62	57%	0.571	34%	0.338	S	S	*	.	H	α-helix	trans	-54.3	-29.6	-177.1	-30.1	36.1	0	0	0	115.5	K250	P246-K250 WeakPolarHBondContact O-CG 3.38Å; P246-K250 PolarHBondContact O-N 2.9Å
247	G	89.5	Confident	87.4	Confident	6 Å²	6	59.4 Å²	59.4	6%	0.062	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-36.8	173.3	0	0	0	0	0	113.7	P192 K245 A251	P192-G247 VanDerWaalsContact CG-C 3.4Å; P192-G247 VanDerWaalsContact CG-O 3.27Å; P192-G247 WeakPolarHBondContact CG-O 3.46Å; K245-G247 PolarHBondContact O-N 3.26Å; G247-A251 VanDerWaalsContact O-CB 3.31Å; G247-A251 WeakPolarHBondContact O-CB 3.46Å; G247-A251 PolarHBondContact O-N 3.23Å
248	L	90.6	Very high	87.4	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-71.4	-41	176.9	-86	68.2	0	0	0	110.5	W190 P192 L237 E241 L242 K245 A251 S252	W190-L248 HydrophobicContact CH2-CD1 3.8Å; W190-L248 HydrophobicContact CH2-CD2 3.69Å; W190-L248 HydrophobicContact CH2-CG 3.83Å; W190-L248 HydrophobicContact CZ2-CD1 4.42Å; W190-L248 HydrophobicContact CZ2-CD2 4.02Å; W190-L248 HydrophobicContact CZ3-CD1 3.92Å; W190-L248 HydrophobicContact CZ3-CG 4.3Å; P192-L248 HydrophobicContact CG-CD1 3.87Å; P192-L248 HydrophobicContact CG-CG 4.45Å; L237-L248 HydrophobicContact CD1-CD2 3.93Å; E241-L248 HydrophobicContact CG-CD2 3.87Å; L242-L248 HydrophobicContact CD2-CB 4Å; L242-L248 HydrophobicContact CD2-CD2 4.31Å; K245-L248 HydrophobicContact CB-CB 4.24Å; K245-L248 HydrophobicContact CB-CD1 3.75Å; K245-L248 HydrophobicContact CB-CD2 4.46Å; K245-L248 HydrophobicContact CB-CG 4.37Å; K245-L248 HydrophobicContact CD-CD1 3.67Å; K245-L248 HydrophobicContact CD-CD2 4.05Å; K245-L248 HydrophobicContact CD-CG 4.48Å; K245-L248 HydrophobicContact CG-CD1 4.37Å; K245-L248 WeakPolarHBondContact O-CB 3.38Å; K245-L248 PolarHBondContact O-N 3.45Å; L248-A251 PolarHBondContact O-N 2.89Å; L248-S252 WeakPolarHBondContact O-CB 3.15Å; L248-S252 PolarHBondContact O-N 3.2Å
249	Q	90.5	Very high	87.4	Confident	103 Å²	103	62.8 Å²	62.8	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-57.9	-50.5	174.1	-169.4	-176.5	13.9	0	0	111.4	K245 A251 S252 I253	K245-Q249 PolarHBondContact O-N 3.31Å; Q249-A251 VanDerWaalsContact C-N 3.33Å; Q249-A251 PolarHBondContact O-N 3.37Å; Q249-S252 PolarHBondContact O-N 3.08Å; Q249-I253 HydrophobicContact CG-CD1 4.15Å; Q249-I253 WeakPolarHBondContact O-CG1 3.39Å; Q249-I253 PolarHBondContact O-N 3.46Å
250	K	91.8	Very high	87.6	Confident	65 Å²	65	55.9 Å²	55.9	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-57.8	-43.2	175.9	-73.8	175	-177.7	-172.8	0	112.7	F216 P246 I253 F254 P261 N263	F216-K250 HydrophobicContact CD1-CB 4.28Å; F216-K250 WeakPolarHBondContact O-CD 3.46Å; P246-K250 WeakPolarHBondContact O-CG 3.38Å; P246-K250 PolarHBondContact O-N 2.9Å; K250-I253 PolarHBondContact O-N 3.32Å; K250-F254 WeakPolarHBondContact O-CB 3.49Å; K250-F254 PolarHBondContact O-N 3.47Å; K250-P261 HydrophobicContact CB-CB 4.38Å; K250-P261 HydrophobicContact CB-CG 4.03Å; K250-P261 HydrophobicContact CD-CB 4.18Å; K250-P261 HydrophobicContact CG-CB 4.28Å; K250-P261 HydrophobicContact CG-CG 4.47Å; K250-N263 WeakPolarHBondContact CE-OD1 3.2Å; K250-N263 PolarHBondContact NZ-OD1 3.31Å
251	A	92	Very high	88	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.3	-36.9	177.8	0	0	0	0	0	113.1	V178 P192 F216 I234 G247 L248 Q249 F254 L255	V178-A251 HydrophobicContact CG1-CB 4.15Å; P192-A251 HydrophobicContact CB-CB 3.94Å; P192-A251 HydrophobicContact CG-CB 4.18Å; F216-A251 HydrophobicContact CB-CB 4.48Å; F216-A251 HydrophobicContact CD1-CB 4.1Å; F216-A251 HydrophobicContact CD2-CB 3.89Å; F216-A251 HydrophobicContact CE1-CB 4.31Å; F216-A251 HydrophobicContact CE2-CB 4.11Å; F216-A251 HydrophobicContact CG-CB 3.9Å; F216-A251 HydrophobicContact CZ-CB 4.31Å; I234-A251 HydrophobicContact CD1-CB 3.59Å; I234-A251 HydrophobicContact CG2-CB 4.5Å; G247-A251 VanDerWaalsContact O-CB 3.31Å; G247-A251 WeakPolarHBondContact O-CB 3.46Å; G247-A251 PolarHBondContact O-N 3.23Å; L248-A251 PolarHBondContact O-N 2.89Å; Q249-A251 VanDerWaalsContact C-N 3.33Å; Q249-A251 PolarHBondContact O-N 3.37Å; A251-F254 PolarHBondContact O-N 3.15Å; A251-L255 WeakPolarHBondContact O-CG 3.39Å; A251-L255 PolarHBondContact O-N 2.65Å
252	S	90.9	Very high	88.1	Confident	8 Å²	8	55 Å²	55	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-44.7	174.4	-165.7	0	0	0	0	111	L248 Q249 L255 K256	L248-S252 WeakPolarHBondContact O-CB 3.15Å; L248-S252 PolarHBondContact O-N 3.2Å; Q249-S252 PolarHBondContact O-N 3.08Å; S252-L255 PolarHBondContact O-N 2.74Å; S252-K256 WeakPolarHBondContact O-CB 3.48Å; S252-K256 WeakPolarHBondContact O-CG 3.48Å; S252-K256 PolarHBondContact O-N 3.44Å
253	I	90	Very high	88.3	Confident	82 Å²	82	56.3 Å²	56.3	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-58.9	-50.6	174.3	-67.2	164	0	0	0	110.2	Q249 K250 L255 K256 T257	Q249-I253 HydrophobicContact CG-CD1 4.15Å; Q249-I253 WeakPolarHBondContact O-CG1 3.39Å; Q249-I253 PolarHBondContact O-N 3.46Å; K250-I253 PolarHBondContact O-N 3.32Å; I253-L255 VanDerWaalsContact C-N 3.31Å; I253-L255 PolarHBondContact O-N 3.46Å; I253-K256 PolarHBondContact O-N 2.91Å; I253-K256 VanDerWaalsContact O-N 3.12Å; I253-T257 PolarHBondContact O-N 2.84Å; I253-T257 PolarHBondContact O-OG1 3.41Å
254	F	90.8	Very high	88.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.8	-41.2	177.8	176.2	-100.8	0	0	0	112.8	V178 L194 F216 K250 A251 R258 V260 I405	V178-F254 HydrophobicContact CG2-CD1 4.08Å; V178-F254 HydrophobicContact CG2-CE1 4.35Å; L194-F254 HydrophobicContact CD1-CE1 3.92Å; L194-F254 HydrophobicContact CD1-CZ 4.48Å; L194-F254 HydrophobicContact CD2-CE1 3.86Å; L194-F254 HydrophobicContact CD2-CZ 3.72Å; F216-F254 HydrophobicContact CE1-CB 3.74Å; F216-F254 HydrophobicContact CE1-CD1 4.07Å; F216-F254 AromaticContact CE1-CG 3.88Å; F216-F254 HydrophobicContact CE1-CG 3.88Å; F216-F254 HydrophobicContact CZ-CB 4.18Å; F216-F254 AromaticContact CZ-CD1 3.66Å; F216-F254 HydrophobicContact CZ-CD1 3.66Å; F216-F254 HydrophobicContact CZ-CE1 4.29Å; F216-F254 AromaticContact CZ-CG 3.98Å; F216-F254 HydrophobicContact CZ-CG 3.98Å; K250-F254 WeakPolarHBondContact O-CB 3.49Å; K250-F254 PolarHBondContact O-N 3.47Å; A251-F254 PolarHBondContact O-N 3.15Å; F254-R258 WeakPolarHBondContact O-CA 3.43Å; F254-R258 PolarHBondContact O-N 3.21Å; F254-V260 HydrophobicContact CD2-CG1 4.32Å; F254-V260 HydrophobicContact CE2-CG1 4.02Å; F254-I405 HydrophobicContact CE2-CG1 4.22Å; F254-I405 HydrophobicContact CZ-CG1 4.44Å
255	L	88.3	Confident	89.1	Confident	38 Å²	38	50.3 Å²	50.3	20%	0.199	26%	0.255	C	S	.	.	H	α-helix	trans	-69.3	-37	176.6	-74.2	167.2	0	0	0	113	V178 I234 L235 A251 S252 I253	V178-L255 HydrophobicContact CB-CD1 4.2Å; V178-L255 HydrophobicContact CB-CD2 4.47Å; V178-L255 HydrophobicContact CG2-CD1 4.13Å; V178-L255 HydrophobicContact CG2-CD2 3.88Å; V178-L255 HydrophobicContact CG2-CG 3.92Å; I234-L255 HydrophobicContact CB-CD1 3.9Å; I234-L255 HydrophobicContact CG1-CD1 4.48Å; L235-L255 HydrophobicContact CD1-CB 4.38Å; L235-L255 HydrophobicContact CD2-CB 3.84Å; L235-L255 HydrophobicContact CG-CB 4.18Å; L235-L255 HydrophobicContact CG-CD1 4.44Å; A251-L255 WeakPolarHBondContact O-CG 3.39Å; A251-L255 PolarHBondContact O-N 2.65Å; S252-L255 PolarHBondContact O-N 2.74Å; I253-L255 VanDerWaalsContact C-N 3.31Å; I253-L255 PolarHBondContact O-N 3.46Å
256	K	87.7	Confident	89.2	Confident	129 Å²	129	48.4 Å²	48.4	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-72.7	-39.3	178.8	-71.7	180	-177.2	-174.7	0	113.1	L235 S252 I253	L235-K256 HydrophobicContact CD2-CD 4.42Å; L235-K256 HydrophobicContact CD2-CG 3.58Å; S252-K256 WeakPolarHBondContact O-CB 3.48Å; S252-K256 WeakPolarHBondContact O-CG 3.48Å; S252-K256 PolarHBondContact O-N 3.44Å; I253-K256 PolarHBondContact O-N 2.91Å; I253-K256 VanDerWaalsContact O-N 3.12Å
257	T	86.4	Confident	89.3	Confident	77 Å²	77	48.6 Å²	48.6	47%	0.472	24%	0.244	S	C	.	.	H	α-helix	trans	-116.5	-14.5	-168.7	69.1	0	0	0	0	114.9	I253 V259	I253-T257 PolarHBondContact O-N 2.84Å; I253-T257 PolarHBondContact O-OG1 3.41Å; T257-V259 PolarHBondContact O-N 3.07Å; T257-V259 VanDerWaalsContact O-N 3.11Å; T257-V259 WeakPolarHBondContact OG1-CB 3.17Å; T257-V259 PolarHBondContact OG1-N 2.61Å; T257-V259 VanDerWaalsContact OG1-N 3.16Å
258	R	85.5	Confident	89.2	Confident	109 Å²	109	50.5 Å²	50.5	41%	0.411	25%	0.252	S	S	.	.			trans	58	8.6	-167.4	-57.5	-63.2	179.5	146.5	-0.6	115.3	F254	F254-R258 WeakPolarHBondContact O-CA 3.43Å; F254-R258 PolarHBondContact O-N 3.21Å
259	V	85.8	Confident	88.9	Confident	71 Å²	71	53.6 Å²	53.6	43%	0.43	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-79.4	128.2	171.8	-178.1	0	0	0	0	109.3	T257	T257-V259 PolarHBondContact O-N 3.07Å; T257-V259 VanDerWaalsContact O-N 3.11Å; T257-V259 WeakPolarHBondContact OG1-CB 3.17Å; T257-V259 PolarHBondContact OG1-N 2.61Å; T257-V259 VanDerWaalsContact OG1-N 3.16Å
260	V	88.6	Confident	88.7	Confident	3 Å²	3	53 Å²	53	2%	0.018	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-69.6	147.3	176.6	-62.5	0	0	0	0	112	F254 W264 K265 Q318 I405	F254-V260 HydrophobicContact CD2-CG1 4.32Å; F254-V260 HydrophobicContact CE2-CG1 4.02Å; V260-W264 HydrophobicContact CB-CB 4.31Å; V260-W264 HydrophobicContact CB-CE3 4.06Å; V260-W264 HydrophobicContact CG1-CE3 4Å; V260-W264 HydrophobicContact CG2-CB 4.5Å; V260-K265 HydrophobicContact CG2-CG 4.16Å; V260-K265 WeakPolarHBondContact O-CE 3.31Å; V260-Q318 VanDerWaalsContact CG2-CD 3.45Å; V260-Q318 HydrophobicContact CG2-CG 3.66Å; V260-I405 HydrophobicContact CG1-CD1 3.64Å; V260-I405 HydrophobicContact CG1-CG1 4.09Å
261	P	89.6	Confident	88.4	Confident	11 Å²	11	50.1 Å²	50.1	7%	0.071	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-58.4	151.3	174.1	-21.7	32.2	0	0	0	112.6	F216 K250 N263 W264	F216-P261 HydrophobicContact CD1-CG 3.83Å; F216-P261 HydrophobicContact CE1-CG 4.09Å; K250-P261 HydrophobicContact CB-CB 4.38Å; K250-P261 HydrophobicContact CB-CG 4.03Å; K250-P261 HydrophobicContact CD-CB 4.18Å; K250-P261 HydrophobicContact CG-CB 4.28Å; K250-P261 HydrophobicContact CG-CG 4.47Å; P261-N263 VanDerWaalsContact C-N 3.25Å; P261-N263 WeakPolarHBondContact CB-OD1 3.35Å; P261-N263 PolarHBondContact O-N 3.01Å; P261-W264 HydrophobicContact CG-CD2 4.38Å; P261-W264 WeakPolarHBondContact O-CA 3.38Å; P261-W264 WeakPolarHBondContact O-CB 3.42Å; P261-W264 PolarHBondContact O-N 3.08Å
262	D	86.6	Confident	87.8	Confident	118 Å²	118	55 Å²	55	63%	0.631	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-67	-25.6	-176.2	-48.9	-66.3	0	0	0	113.2	W264 K265	D262-W264 PolarHBondContact O-N 3.11Å; D262-K265 WeakPolarHBondContact O-CB 3.28Å; D262-K265 PolarHBondContact O-N 3.15Å; D262-K265 IonicContact OD1-NZ 3.19Å; D262-K265 PolarHBondContact OD1-NZ 3.04Å
263	N	86.6	Confident	87.1	Confident	43 Å²	43	61.3 Å²	61.3	23%	0.23	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-70.3	-4.6	170.1	60.5	-76.2	0	0	0	114.2	S219 K250 P261	S219-N263 WeakPolarHBondContact CB-O 3.45Å; S219-N263 PolarHBondContact OG-ND2 2.59Å; S219-N263 PolarHBondContact OG-O 3.14Å; K250-N263 WeakPolarHBondContact CE-OD1 3.2Å; K250-N263 PolarHBondContact NZ-OD1 3.31Å; P261-N263 VanDerWaalsContact C-N 3.25Å; P261-N263 WeakPolarHBondContact CB-OD1 3.35Å; P261-N263 PolarHBondContact O-N 3.01Å
264	W	90.6	Very high	85.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-100.7	3.2	170.4	-66.2	11	0	0	0	112.3	L194 R214 S215 F216 V260 P261 D262 K321 Y399	L194-W264 HydrophobicContact CB-CH2 3.85Å; L194-W264 HydrophobicContact CD2-CH2 3.92Å; L194-W264 HydrophobicContact CD2-CZ3 3.83Å; R214-W264 HydrophobicContact CB-CH2 4.27Å; R214-W264 HydrophobicContact CB-CZ2 4.18Å; R214-W264 HydrophobicContact CG-CH2 4.37Å; R214-W264 HydrophobicContact CG-CZ2 3.95Å; S215-W264 PolarHBondContact O-NE1 3.36Å; F216-W264 HydrophobicContact CD1-CH2 4Å; F216-W264 AromaticContact CD1-CZ2 3.77Å; F216-W264 HydrophobicContact CD1-CZ2 3.77Å; F216-W264 HydrophobicContact CD2-CH2 4.46Å; F216-W264 HydrophobicContact CD2-CZ2 4.33Å; F216-W264 AromaticContact CE1-CH2 3.58Å; F216-W264 HydrophobicContact CE1-CH2 3.58Å; F216-W264 AromaticContact CE1-CZ2 3.86Å; F216-W264 HydrophobicContact CE1-CZ2 3.86Å; F216-W264 HydrophobicContact CE1-CZ3 4.21Å; F216-W264 HydrophobicContact CE2-CH2 4.09Å; F216-W264 HydrophobicContact CE2-CZ2 4.41Å; F216-W264 HydrophobicContact CG-CH2 4.42Å; F216-W264 HydrophobicContact CG-CZ2 4.01Å; F216-W264 AromaticContact CZ-CH2 3.63Å; F216-W264 HydrophobicContact CZ-CH2 3.63Å; F216-W264 HydrophobicContact CZ-CZ2 4.18Å; F216-W264 HydrophobicContact CZ-CZ3 4.39Å; V260-W264 HydrophobicContact CB-CB 4.31Å; V260-W264 HydrophobicContact CB-CE3 4.06Å; V260-W264 HydrophobicContact CG1-CE3 4Å; V260-W264 HydrophobicContact CG2-CB 4.5Å; P261-W264 HydrophobicContact CG-CD2 4.38Å; P261-W264 WeakPolarHBondContact O-CA 3.38Å; P261-W264 WeakPolarHBondContact O-CB 3.42Å; P261-W264 PolarHBondContact O-N 3.08Å; D262-W264 PolarHBondContact O-N 3.11Å; W264-K321 WeakPolarHBondContact O-CG 3.3Å; W264-Y399 WeakPolarHBondContact CZ3-OH 3.4Å
265	K	91.8	Very high	84.5	Confident	34 Å²	34	61.6 Å²	61.6	15%	0.148	32%	0.322	C	S	.	.	S	Bend	trans	-106.4	155.9	174.5	-61.4	176	-164	165.1	0	109.9	V260 D262 Q317	V260-K265 HydrophobicContact CG2-CG 4.16Å; V260-K265 WeakPolarHBondContact O-CE 3.31Å; D262-K265 WeakPolarHBondContact O-CB 3.28Å; D262-K265 PolarHBondContact O-N 3.15Å; D262-K265 IonicContact OD1-NZ 3.19Å; D262-K265 PolarHBondContact OD1-NZ 3.04Å; K265-Q317 HydrophobicContact CB-CB 4.02Å; K265-Q317 HydrophobicContact CG-CB 4.37Å
266	M	91.8	Very high	82.4	Confident	30 Å²	30	64.8 Å²	64.8	15%	0.148	35%	0.348	C	S	.	.			trans	-87.6	164.2	163.5	-146.1	69.1	163.4	0	0	109.1	I271 Q317 K321 E324	M266-I271 HydrophobicContact CB-CD1 3.92Å; M266-I271 HydrophobicContact CB-CG1 4.12Å; M266-I271 HydrophobicContact CG-CG1 4.19Å; M266-Q317 PolarHBondContact N-O 3.07Å; M266-Q317 WeakPolarHBondContact O-CG 3.39Å; M266-K321 HydrophobicContact CB-CB 4.26Å; M266-K321 HydrophobicContact SD-CB 4.2Å; M266-K321 HydrophobicContact SD-CD 3.86Å; M266-E324 HydrophobicContact CE-CB 4.48Å; M266-E324 HydrophobicContact CE-CG 4.5Å
267	D	89.4	Confident	80.1	Confident	92 Å²	92	63 Å²	63	49%	0.492	35%	0.352	S	S	.	.			trans	-71.7	137.2	163.8	-159.5	-55.2	0	0	0	109.7	S269 E270 I271	D267-S269 VanDerWaalsContact C-N 3.29Å; D267-S269 WeakPolarHBondContact OD1-CB 3.38Å; D267-S269 PolarHBondContact OD1-N 3.19Å; D267-S269 PolarHBondContact OD1-OG 3.09Å; D267-E270 HydrophobicContact CB-CB 4.07Å; D267-E270 PolarHBondContact O-N 2.96Å; D267-I271 WeakPolarHBondContact O-CG1 3.44Å; D267-I271 PolarHBondContact O-N 3.38Å
268	I	87.9	Confident	78	Confident	45 Å²	45	64.3 Å²	64.3	23%	0.231	36%	0.356	C	S	.	.	H	α-helix	trans	-70.4	-28.9	177.6	-169.4	58.9	0	0	0	111.7	I271 L272 D313 Q317	I268-I271 HydrophobicContact CD1-CB 4.35Å; I268-I271 HydrophobicContact CD1-CD1 4.25Å; I268-I271 HydrophobicContact CD1-CG2 4.47Å; I268-I271 PolarHBondContact O-N 2.76Å; I268-L272 HydrophobicContact CG1-CD1 4.22Å; I268-L272 VanDerWaalsContact O-CG 3.31Å; I268-L272 WeakPolarHBondContact O-CG 3.16Å; I268-L272 PolarHBondContact O-N 3.02Å; I268-L272 VanDerWaalsContact O-N 3.07Å; I268-D313 HydrophobicContact CD1-CB 4.25Å; I268-D313 WeakPolarHBondContact CD1-OD1 3.32Å; I268-D313 HydrophobicContact CG1-CB 4.45Å; I268-Q317 HydrophobicContact CB-CG 4.24Å; I268-Q317 HydrophobicContact CD1-CG 4.44Å
269	S	85.3	Confident	76.1	Confident	67 Å²	67	66.8 Å²	66.8	47%	0.469	38%	0.377	S	S	.	.	H	α-helix	trans	-65	-45.4	173.2	61.3	0	0	0	0	111.3	D267 I271 L272 E273	D267-S269 VanDerWaalsContact C-N 3.29Å; D267-S269 WeakPolarHBondContact OD1-CB 3.38Å; D267-S269 PolarHBondContact OD1-N 3.19Å; D267-S269 PolarHBondContact OD1-OG 3.09Å; S269-I271 VanDerWaalsContact C-N 3.3Å; S269-I271 PolarHBondContact O-N 2.82Å; S269-L272 PolarHBondContact O-N 3.27Å; S269-L272 VanDerWaalsContact O-N 3.16Å; S269-E273 VanDerWaalsContact O-CB 3.31Å; S269-E273 WeakPolarHBondContact O-CB 3.49Å; S269-E273 PolarHBondContact O-N 2.59Å
270	E	85.8	Confident	74.2	Confident	91 Å²	91	71.7 Å²	71.7	43%	0.425	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-36.9	176	-174.1	177.9	-170	0	0	112.1	D267 S274	D267-E270 HydrophobicContact CB-CB 4.07Å; D267-E270 PolarHBondContact O-N 2.96Å; E270-S274 WeakPolarHBondContact O-CB 3.48Å; E270-S274 PolarHBondContact O-N 2.99Å; E270-S274 PolarHBondContact O-OG 3.43Å
271	I	86.1	Confident	72.1	Confident	5 Å²	5	79.9 Å²	79.9	3%	0.026	44%	0.439	C	S	.	.	H	α-helix	trans	-63.9	-47.1	173.7	-68.8	173.7	0	0	0	111.4	M266 D267 I268 S269 S275 L316 Q317 Y320	M266-I271 HydrophobicContact CB-CD1 3.92Å; M266-I271 HydrophobicContact CB-CG1 4.12Å; M266-I271 HydrophobicContact CG-CG1 4.19Å; D267-I271 WeakPolarHBondContact O-CG1 3.44Å; D267-I271 PolarHBondContact O-N 3.38Å; I268-I271 HydrophobicContact CD1-CB 4.35Å; I268-I271 HydrophobicContact CD1-CD1 4.25Å; I268-I271 HydrophobicContact CD1-CG2 4.47Å; I268-I271 PolarHBondContact O-N 2.76Å; S269-I271 VanDerWaalsContact C-N 3.3Å; S269-I271 PolarHBondContact O-N 2.82Å; I271-S275 WeakPolarHBondContact O-CB 3.29Å; I271-S275 PolarHBondContact O-N 2.8Å; I271-S275 PolarHBondContact O-OG 2.83Å; I271-L316 HydrophobicContact CD1-CB 4.3Å; I271-Q317 HydrophobicContact CD1-CG 4.34Å; I271-Y320 HydrophobicContact CB-CD1 4.45Å; I271-Y320 HydrophobicContact CD1-CD1 4.42Å; I271-Y320 HydrophobicContact CD1-CD2 4.08Å; I271-Y320 HydrophobicContact CD1-CG 3.87Å; I271-Y320 HydrophobicContact CG1-CD1 3.78Å; I271-Y320 HydrophobicContact CG1-CD2 4.26Å; I271-Y320 HydrophobicContact CG1-CE1 4.32Å; I271-Y320 HydrophobicContact CG1-CG 3.73Å; I271-Y320 HydrophobicContact CG2-CD1 4.29Å; I271-Y320 HydrophobicContact CG2-CD2 4.31Å; I271-Y320 HydrophobicContact CG2-CE1 4Å; I271-Y320 HydrophobicContact CG2-CE2 4.05Å; I271-Y320 HydrophobicContact CG2-CG 4.43Å
272	L	79.4	Confident	69.5	Low	101 Å²	101	81.6 Å²	81.6	53%	0.529	46%	0.458	S	S	.	.	H	α-helix	trans	-72.2	-41.4	-176.7	-68	171	0	0	0	111.5	I268 S269 S275 S276	I268-L272 HydrophobicContact CG1-CD1 4.22Å; I268-L272 VanDerWaalsContact O-CG 3.31Å; I268-L272 WeakPolarHBondContact O-CG 3.16Å; I268-L272 PolarHBondContact O-N 3.02Å; I268-L272 VanDerWaalsContact O-N 3.07Å; S269-L272 PolarHBondContact O-N 3.27Å; S269-L272 VanDerWaalsContact O-N 3.16Å; L272-S275 CarbonylContact O-C 3.46Å; L272-S275 WeakPolarHBondContact O-CA 3.47Å; L272-S275 WeakPolarHBondContact O-CB 3.47Å; L272-S275 PolarHBondContact O-N 2.8Å; L272-S276 WeakPolarHBondContact O-CB 3.45Å; L272-S276 PolarHBondContact O-N 3.37Å
273	E	75.1	Confident	67.4	Low	141 Å²	141	82.1 Å²	82.1	66%	0.659	47%	0.469	S	S	*	.	H	α-helix	trans	-64.3	-45.4	175	-170.6	172.4	-145	0	0	111.1	S269 S275 S276 S277	S269-E273 VanDerWaalsContact O-CB 3.31Å; S269-E273 WeakPolarHBondContact O-CB 3.49Å; S269-E273 PolarHBondContact O-N 2.59Å; E273-S275 PolarHBondContact O-N 2.9Å; E273-S275 VanDerWaalsContact O-N 3.16Å; E273-S276 PolarHBondContact O-N 3.44Å; E273-S276 VanDerWaalsContact O-N 3.09Å; E273-S277 VanDerWaalsContact O-CB 3.29Å; E273-S277 WeakPolarHBondContact O-CB 3.24Å; E273-S277 PolarHBondContact O-N 3.46Å
274	S	65.1	Low	65	Low	44 Å²	44	84.7 Å²	84.7	31%	0.308	50%	0.496	S	S	.	.	H	α-helix	trans	-65	-15.1	171.7	-58.9	0	0	0	0	113.7	E270	E270-S274 WeakPolarHBondContact O-CB 3.48Å; E270-S274 PolarHBondContact O-N 2.99Å; E270-S274 PolarHBondContact O-OG 3.43Å
275	S	60.5	Low	62.5	Low	45 Å²	45	93.8 Å²	93.8	32%	0.315	54%	0.538	S	S	.	.	H	α-helix	trans	-92.3	-23.2	174	-58.6	0	0	0	0	113.1	I271 L272 E273	I271-S275 WeakPolarHBondContact O-CB 3.29Å; I271-S275 PolarHBondContact O-N 2.8Å; I271-S275 PolarHBondContact O-OG 2.83Å; L272-S275 CarbonylContact O-C 3.46Å; L272-S275 WeakPolarHBondContact O-CA 3.47Å; L272-S275 WeakPolarHBondContact O-CB 3.47Å; L272-S275 PolarHBondContact O-N 2.8Å; E273-S275 PolarHBondContact O-N 2.9Å; E273-S275 VanDerWaalsContact O-N 3.16Å
276	S	44.5	Very low	60	Low	104 Å²	104	101.4 Å²	101.4	73%	0.727	57%	0.574	S	S	*	*	H	α-helix	trans	-99.8	-13.4	-178.3	-167.9	0	0	0	0	114.3	L272 E273 D278	L272-S276 WeakPolarHBondContact O-CB 3.45Å; L272-S276 PolarHBondContact O-N 3.37Å; E273-S276 PolarHBondContact O-N 3.44Å; E273-S276 VanDerWaalsContact O-N 3.09Å; S276-D278 PolarHBondContact O-N 3.45Å
277	S	39.9	Very low	57.1	Low	92 Å²	92	107.7 Å²	107.7	64%	0.643	61%	0.608	S	S	*	*			trans	-92	76.9	-172.4	-166.6	0	0	0	0	113.3	E273	E273-S277 VanDerWaalsContact O-CB 3.29Å; E273-S277 WeakPolarHBondContact O-CB 3.24Å; E273-S277 PolarHBondContact O-N 3.46Å
278	D	42.9	Very low	54.6	Low	104 Å²	104	110.1 Å²	110.1	56%	0.556	62%	0.621	S	S	*	*	S	Bend	trans	-155.8	34.6	166.4	-155.6	-153.2	0	0	0	116.7	S276 K332	S276-D278 PolarHBondContact O-N 3.45Å; D278-K332 VanDerWaalsContact CG-CE 3.47Å; D278-K332 WeakPolarHBondContact OD1-CE 3.41Å; D278-K332 IonicContact OD1-NZ 3.7Å; D278-K332 PolarHBondContact OD1-NZ 3.14Å; D278-K332 WeakPolarHBondContact OD2-CE 3.47Å; D278-K332 IonicContact OD2-NZ 2.76Å; D278-K332 PolarHBondContact OD2-NZ 2.87Å
279	D	44.9	Very low	52.5	Low	162 Å²	162	116.8 Å²	116.8	87%	0.866	65%	0.652	S	S	*	*			trans	-158.2	68.2	164.1	-104.3	-32.1	0	0	0	112.2
280	E	46.5	Very low	50.5	Low	173 Å²	173	123 Å²	123	81%	0.808	67%	0.673	S	S	*	*			trans	-143.6	77.7	165.3	-87.5	-59.5	171	0	0	110.7
281	D	43.5	Very low	48	Very low	176 Å²	176	126.3 Å²	126.3	94%	0.941	69%	0.686	S	S	*	*			trans	-142.3	46.9	167.4	-154.8	0.4	0	0	0	110.3
282	G	36.2	Very low	45.8	Very low	46 Å²	46	135.8 Å²	135.8	47%	0.474	73%	0.73	S	S	.	*	S	Bend	trans	-138.6	136.1	173.9	0	0	0	0	0	110.3	A284	G282-A284 PolarHBondContact O-N 2.69Å
283	P	40.8	Very low	44	Very low	130 Å²	130	140.3 Å²	140.3	84%	0.844	75%	0.746	S	S	*	*			trans	-75.6	114.7	-178.6	29.7	-32.9	0	0	0	110.8	E285	P283-E285 PolarHBondContact O-N 3.28Å
284	A	37.1	Very low	42.1	Very low	97 Å²	97	141.6 Å²	141.6	80%	0.802	75%	0.752	S	S	*	*			trans	-64.8	125.3	167.8	0	0	0	0	0	110.8	G282	G282-A284 PolarHBondContact O-N 2.69Å
285	E	37.2	Very low	40.7	Very low	190 Å²	190	145.6 Å²	145.6	89%	0.888	77%	0.774	S	S	*	*			trans	-118.4	136.9	156.9	-76	-92.3	162.3	0	0	105.8	P283	P283-E285 PolarHBondContact O-N 3.28Å
286	E	40.3	Very low	39.6	Very low	194 Å²	194	152.9 Å²	152.9	91%	0.907	80%	0.8	S	S	*	*			trans	-77.8	147.1	-164	-60.5	168	145.5	0	0	113
287	N	31.3	Very low	39.3	Very low	162 Å²	162	157 Å²	157	87%	0.866	81%	0.805	S	S	*	*			trans	-156.3	78.8	152.6	-166.4	39.8	0	0	0	110.7
288	D	37.4	Very low	38.7	Very low	143 Å²	143	158.9 Å²	158.9	77%	0.765	81%	0.813	S	S	*	*			trans	-108.5	87	178	-171.6	22.9	0	0	0	111.4
289	E	42.5	Very low	38.4	Very low	186 Å²	186	162.5 Å²	162.5	87%	0.869	83%	0.826	S	S	*	*	S	Bend	trans	-151.9	31.8	167.2	-137.1	178.2	-120.8	0	0	114.6
290	E	43	Very low	38.2	Very low	196 Å²	196	162.9 Å²	162.9	92%	0.916	82%	0.823	S	S	*	*	S	Bend	trans	-148.7	36.6	169.6	-138.5	176.9	-131.1	0	0	116.3
291	K	32.9	Very low	37.8	Very low	161 Å²	161	162.7 Å²	162.7	70%	0.7	82%	0.822	S	S	*	*			trans	-121	11.4	-177.7	-104	-177.5	179.9	177.9	0	119.6	K293	K291-K293 PolarHBondContact O-N 3.43Å
292	E	40.1	Very low	37.1	Very low	204 Å²	204	159 Å²	159	95%	0.953	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	8.9	173.5	-81.1	-147.9	131.4	0	0	116.1
293	K	42	Very low	37.3	Very low	197 Å²	197	162.2 Å²	162.2	86%	0.857	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	-0.4	-174.6	-81.5	-179.5	-179.2	161.2	0	118.3	K291	K291-K293 PolarHBondContact O-N 3.43Å
294	E	36.5	Very low	37.8	Very low	168 Å²	168	162.4 Å²	162.4	79%	0.785	81%	0.808	S	S	*	*			trans	-122.1	42	175.6	-68.3	-149.9	127.1	0	0	115	K296	E294-K296 VanDerWaalsContact C-N 3.34Å
295	V	34.3	Very low	38.4	Very low	127 Å²	127	165.5 Å²	165.5	77%	0.77	81%	0.805	S	S	*	*	S	Bend	trans	-101.7	32.2	160.9	-159.5	0	0	0	0	111
296	K	38.4	Very low	39.3	Very low	199 Å²	199	159.3 Å²	159.3	87%	0.865	78%	0.777	S	S	*	*	S	Bend	trans	-138.2	36.4	178.5	-74.5	-164	174.4	-179.4	0	113.8	E294	E294-K296 VanDerWaalsContact C-N 3.34Å
297	K	37.1	Very low	40.2	Very low	190 Å²	190	155.5 Å²	155.5	83%	0.826	76%	0.762	S	S	*	*			trans	-158.3	32	160	-121.9	176.1	-176.6	-167.6	0	116.6	E299	K297-E299 PolarHBondContact O-N 2.86Å; K297-E299 VanDerWaalsContact O-N 3.16Å
298	T	28.8	Very low	42	Very low	132 Å²	132	149.6 Å²	149.6	81%	0.81	73%	0.73	S	S	*	*	S	Bend	trans	-59.1	116.4	145.7	-35.2	0	0	0	0	105.9
299	E	36.2	Very low	43.9	Very low	179 Å²	179	146.2 Å²	146.2	84%	0.836	72%	0.716	S	S	*	*			trans	-65	141.2	179.9	-169.9	158.2	-141.9	0	0	109	K297 E301	K297-E299 PolarHBondContact O-N 2.86Å; K297-E299 VanDerWaalsContact O-N 3.16Å; E299-E301 PolarHBondContact O-N 2.8Å
300	E	40	Very low	45.8	Very low	171 Å²	171	145.1 Å²	145.1	80%	0.799	71%	0.711	S	S	*	*			trans	-74.5	71.7	178.9	-167.5	178.3	161.8	0	0	108.7	V302	E300-V302 HydrophobicContact CG-CG2 4.37Å; E300-V302 PolarHBondContact O-N 2.89Å
301	E	37.5	Very low	47.8	Very low	168 Å²	168	136.4 Å²	136.4	79%	0.785	67%	0.671	S	S	*	*			trans	-64.3	85.5	158.1	-170.9	165.9	-130.2	0	0	105.7	E299 P303	E299-E301 PolarHBondContact O-N 2.8Å; E301-P303 WeakPolarHBondContact O-CD 3.45Å; E301-P303 VanDerWaalsContact O-N 3.13Å
302	V	29.3	Very low	50.4	Low	99 Å²	99	131.1 Å²	131.1	60%	0.6	65%	0.646	S	S	*	*			trans	-41.7	120.6	178.7	174.3	0	0	0	0	107.4	E300 E304	E300-V302 HydrophobicContact CG-CG2 4.37Å; E300-V302 PolarHBondContact O-N 2.89Å; V302-E304 PolarHBondContact O-N 3.49Å
303	P	41.6	Very low	52.7	Low	114 Å²	114	123.2 Å²	123.2	74%	0.74	61%	0.611	S	S	*	*			trans	-53.9	106.9	178.2	-27.5	35.4	0	0	0	108.7	E301 E305	E301-P303 WeakPolarHBondContact O-CD 3.45Å; E301-P303 VanDerWaalsContact O-N 3.13Å; P303-E305 PolarHBondContact O-N 2.89Å
304	E	50.3	Low	55	Low	133 Å²	133	116 Å²	116	62%	0.621	58%	0.581	S	S	*	*			trans	-62	105.7	177.9	-178.7	-174.7	-172.7	0	0	105.7	V302 E306 K345	V302-E304 PolarHBondContact O-N 3.49Å; E304-E306 VanDerWaalsContact C-N 3.32Å; E304-E306 PolarHBondContact O-N 2.68Å; E304-K345 WeakPolarHBondContact OE1-CE 3.44Å; E304-K345 IonicContact OE1-NZ 3.1Å; E304-K345 PolarHBondContact OE1-NZ 3.5Å; E304-K345 IonicContact OE2-NZ 3.51Å; E304-K345 PolarHBondContact OE2-NZ 2.83Å
305	E	49.3	Very low	57.6	Low	162 Å²	162	108 Å²	108	76%	0.757	54%	0.544	S	S	*	.			trans	-61.3	91.1	-161.1	-165.5	176.9	-168.8	0	0	110.1	P303 L307	P303-E305 PolarHBondContact O-N 2.89Å; E305-L307 HydrophobicContact CB-CD2 4.46Å; E305-L307 HydrophobicContact CG-CD2 4.28Å; E305-L307 WeakPolarHBondContact O-CD2 3.4Å; E305-L307 WeakPolarHBondContact O-CG 3.15Å; E305-L307 PolarHBondContact O-N 2.87Å
306	E	56.6	Low	60.4	Low	60 Å²	60	103 Å²	103	28%	0.28	51%	0.513	S	S	.	.			trans	-66.5	91.8	174.5	-83.4	-170.7	144.9	0	0	106.7	E304 D308 R312 N342	E304-E306 VanDerWaalsContact C-N 3.32Å; E304-E306 PolarHBondContact O-N 2.68Å; E306-D308 CarbonylContact O-C 3.47Å; E306-D308 PolarHBondContact O-N 2.82Å; E306-R312 WeakPolarHBondContact OE2-CD 3.41Å; E306-R312 IonicContact OE2-NE 3.3Å; E306-R312 PolarHBondContact OE2-NE 2.95Å; E306-N342 PolarHBondContact OE1-ND2 3.05Å
307	L	58.8	Low	63	Low	115 Å²	115	95.4 Å²	95.4	60%	0.602	48%	0.48	S	S	*	.	S	Bend	trans	-53.5	-7.4	-165.2	-58.1	175.2	0	0	0	116.4	E305	E305-L307 HydrophobicContact CB-CD2 4.46Å; E305-L307 HydrophobicContact CG-CD2 4.28Å; E305-L307 WeakPolarHBondContact O-CD2 3.4Å; E305-L307 WeakPolarHBondContact O-CG 3.15Å; E305-L307 PolarHBondContact O-N 2.87Å
308	D	69.1	Low	65.6	Low	37 Å²	37	86.7 Å²	86.7	20%	0.198	44%	0.442	C	S	.	.			trans	-152.2	97.7	169.1	-164.7	-33.9	0	0	0	109.7	E306 E310 E311 R312 T409	E306-D308 CarbonylContact O-C 3.47Å; E306-D308 PolarHBondContact O-N 2.82Å; D308-E310 WeakPolarHBondContact OD1-CB 3.42Å; D308-E310 PolarHBondContact OD1-N 3.06Å; D308-E310 VanDerWaalsContact OD1-N 3.12Å; D308-E311 HydrophobicContact CB-CB 3.81Å; D308-E311 VanDerWaalsContact CG-CB 3.47Å; D308-E311 PolarHBondContact OD1-N 3.36Å; D308-R312 PolarHBondContact O-N 2.95Å; D308-T409 VanDerWaalsContact CB-OG1 3.31Å; D308-T409 WeakPolarHBondContact CB-OG1 3.38Å
309	P	77.5	Confident	68.7	Low	73 Å²	73	80.4 Å²	80.4	47%	0.474	40%	0.404	S	S	.	.	H	α-helix	trans	-73.6	-27	176.9	29.6	-34.1	0	0	0	112.4	E311 R312 D313	P309-E311 VanDerWaalsContact C-N 3.33Å; P309-R312 PolarHBondContact O-N 2.71Å; P309-D313 PolarHBondContact O-N 2.96Å
310	E	81.8	Confident	71.4	Confident	162 Å²	162	72.8 Å²	72.8	76%	0.757	37%	0.368	S	S	*	.	H	α-helix	trans	-66.4	-38.9	176.1	-59.3	-178.4	-173.6	0	0	110.3	D308 D313 N314	D308-E310 WeakPolarHBondContact OD1-CB 3.42Å; D308-E310 PolarHBondContact OD1-N 3.06Å; D308-E310 VanDerWaalsContact OD1-N 3.12Å; E310-D313 PolarHBondContact O-N 2.89Å; E310-N314 VanDerWaalsContact O-CB 3.25Å; E310-N314 WeakPolarHBondContact O-CB 3.5Å; E310-N314 PolarHBondContact O-N 3.16Å
311	E	84.9	Confident	73.8	Confident	14 Å²	14	66.1 Å²	66.1	7%	0.065	34%	0.336	C	S	.	.	H	α-helix	trans	-67.2	-38.9	173.8	-169.6	178.3	151.2	0	0	112.4	D308 P309 N314 F315 F344 F407 R408 T409	D308-E311 HydrophobicContact CB-CB 3.81Å; D308-E311 VanDerWaalsContact CG-CB 3.47Å; D308-E311 PolarHBondContact OD1-N 3.36Å; P309-E311 VanDerWaalsContact C-N 3.33Å; E311-N314 PolarHBondContact O-N 2.94Å; E311-F315 VanDerWaalsContact O-CB 3.28Å; E311-F315 WeakPolarHBondContact O-CB 3.1Å; E311-F315 PolarHBondContact O-N 3.01Å; E311-F344 HydrophobicContact CG-CE2 4.43Å; E311-F344 HydrophobicContact CG-CZ 4.37Å; E311-F407 HydrophobicContact CG-CD1 4.05Å; E311-F407 WeakPolarHBondContact OE1-CA 3.5Å; E311-F407 VanDerWaalsContact OE1-CB 3.24Å; E311-F407 WeakPolarHBondContact OE1-CB 3.4Å; E311-R408 VanDerWaalsContact CD-N 3.3Å; E311-R408 PolarHBondContact OE1-N 2.99Å; E311-R408 WeakPolarHBondContact OE2-CB 3.39Å; E311-R408 PolarHBondContact OE2-N 3.43Å; E311-T409 VanDerWaalsContact CD-CB 3.49Å; E311-T409 VanDerWaalsContact CD-N 3.33Å; E311-T409 WeakPolarHBondContact OE1-CB 3.46Å; E311-T409 PolarHBondContact OE1-N 3.41Å; E311-T409 WeakPolarHBondContact OE2-CB 3.26Å; E311-T409 PolarHBondContact OE2-N 3.45Å; E311-T409 PolarHBondContact OE2-OG1 3.48Å
312	R	87.4	Confident	76.4	Confident	49 Å²	49	58.1 Å²	58.1	19%	0.185	30%	0.299	C	S	.	.	H	α-helix	trans	-58.7	-50.9	172	178.8	-174.4	53.8	57.2	24.7	110.7	E306 D308 P309 N314 F315 L316 F344	E306-R312 WeakPolarHBondContact OE2-CD 3.41Å; E306-R312 IonicContact OE2-NE 3.3Å; E306-R312 PolarHBondContact OE2-NE 2.95Å; D308-R312 PolarHBondContact O-N 2.95Å; P309-R312 PolarHBondContact O-N 2.71Å; R312-N314 VanDerWaalsContact C-N 3.34Å; R312-N314 PolarHBondContact O-N 3.36Å; R312-F315 WeakPolarHBondContact O-CB 3.19Å; R312-F315 PolarHBondContact O-N 2.68Å; R312-L316 HydrophobicContact CG-CD1 3.91Å; R312-L316 HydrophobicContact CG-CG 4.38Å; R312-L316 WeakPolarHBondContact O-CG 3.33Å; R312-L316 PolarHBondContact O-N 2.93Å; R312-F344 HydrophobicContact CB-CD1 3.61Å; R312-F344 HydrophobicContact CB-CE1 3.7Å; R312-F344 HydrophobicContact CB-CG 4.05Å; R312-F344 HydrophobicContact CB-CZ 4.21Å; R312-F344 HydrophobicContact CG-CB 3.91Å; R312-F344 HydrophobicContact CG-CD1 3.64Å; R312-F344 HydrophobicContact CG-CE1 4.27Å; R312-F344 HydrophobicContact CG-CG 3.83Å
313	D	90.1	Very high	79.4	Confident	39 Å²	39	53.6 Å²	53.6	21%	0.209	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-39.3	-179	-74.8	-42.7	0	0	0	111.4	I268 P309 E310 F315 L316 Q317	I268-D313 HydrophobicContact CD1-CB 4.25Å; I268-D313 WeakPolarHBondContact CD1-OD1 3.32Å; I268-D313 HydrophobicContact CG1-CB 4.45Å; P309-D313 PolarHBondContact O-N 2.96Å; E310-D313 PolarHBondContact O-N 2.89Å; D313-F315 PolarHBondContact O-N 2.66Å; D313-L316 PolarHBondContact O-N 3Å; D313-Q317 VanDerWaalsContact O-CB 3.28Å; D313-Q317 WeakPolarHBondContact O-CB 3.44Å; D313-Q317 WeakPolarHBondContact O-CG 3.42Å; D313-Q317 PolarHBondContact O-N 3.4Å; D313-Q317 PolarHBondContact O-NE2 2.96Å
314	N	89.5	Confident	81.7	Confident	44 Å²	44	52.1 Å²	52.1	24%	0.235	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-43.1	174.3	-165.6	-73.7	0	0	0	112.2	E310 E311 R312 Q318	E310-N314 VanDerWaalsContact O-CB 3.25Å; E310-N314 WeakPolarHBondContact O-CB 3.5Å; E310-N314 PolarHBondContact O-N 3.16Å; E311-N314 PolarHBondContact O-N 2.94Å; R312-N314 VanDerWaalsContact C-N 3.34Å; R312-N314 PolarHBondContact O-N 3.36Å; N314-Q318 WeakPolarHBondContact O-CG 3.31Å; N314-Q318 PolarHBondContact O-N 2.87Å; N314-Q318 VanDerWaalsContact O-N 3.09Å; N314-Q318 PolarHBondContact OD1-NE2 2.88Å
315	F	91.5	Very high	83.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-48.7	174.6	169.6	-89.9	0	0	0	111.9	E311 R312 D313 Q318 L319 F344 F347 L393 F396 F407	E311-F315 VanDerWaalsContact O-CB 3.28Å; E311-F315 WeakPolarHBondContact O-CB 3.1Å; E311-F315 PolarHBondContact O-N 3.01Å; R312-F315 WeakPolarHBondContact O-CB 3.19Å; R312-F315 PolarHBondContact O-N 2.68Å; D313-F315 PolarHBondContact O-N 2.66Å; F315-Q318 PolarHBondContact O-N 3.12Å; F315-L319 HydrophobicContact CE1-CB 4.5Å; F315-L319 HydrophobicContact CE1-CD2 3.74Å; F315-L319 HydrophobicContact CZ-CD2 3.96Å; F315-L319 VanDerWaalsContact O-CB 3.28Å; F315-L319 WeakPolarHBondContact O-CB 3.05Å; F315-L319 PolarHBondContact O-N 2.87Å; F315-F344 HydrophobicContact CB-CD2 3.8Å; F315-F344 HydrophobicContact CB-CE2 4.08Å; F315-F344 HydrophobicContact CD1-CB 3.84Å; F315-F344 AromaticContact CD1-CD2 3.64Å; F315-F344 HydrophobicContact CD1-CD2 3.64Å; F315-F344 HydrophobicContact CD1-CG 4.2Å; F315-F344 HydrophobicContact CD2-CD2 4.23Å; F315-F344 HydrophobicContact CE1-CB 4.03Å; F315-F344 HydrophobicContact CE1-CD2 4.27Å; F315-F344 AromaticContact CG-CD2 3.62Å; F315-F344 HydrophobicContact CG-CD2 3.62Å; F315-F344 HydrophobicContact CG-CE2 4.27Å; F315-F347 AromaticContact CD2-CD1 3.94Å; F315-F347 HydrophobicContact CD2-CD1 3.94Å; F315-F347 HydrophobicContact CD2-CE1 4.26Å; F315-F347 HydrophobicContact CD2-CG 4.46Å; F315-F347 HydrophobicContact CE1-CB 4.36Å; F315-F347 HydrophobicContact CE2-CB 3.83Å; F315-F347 AromaticContact CE2-CD1 3.25Å; F315-F347 HydrophobicContact CE2-CD1 3.25Å; F315-F347 AromaticContact CE2-CD2 3.95Å; F315-F347 HydrophobicContact CE2-CD2 3.95Å; F315-F347 AromaticContact CE2-CE1 3.72Å; F315-F347 HydrophobicContact CE2-CE1 3.72Å; F315-F347 HydrophobicContact CE2-CE2 4.35Å; F315-F347 AromaticContact CE2-CG 3.39Å; F315-F347 HydrophobicContact CE2-CG 3.39Å; F315-F347 HydrophobicContact CE2-CZ 4.25Å; F315-F347 HydrophobicContact CZ-CB 3.5Å; F315-F347 VanDerWaalsContact CZ-CB 3.5Å; F315-F347 AromaticContact CZ-CD1 3.9Å; F315-F347 HydrophobicContact CZ-CD1 3.9Å; F315-F347 HydrophobicContact CZ-CD2 4.14Å; F315-F347 AromaticContact CZ-CG 3.58Å; F315-F347 HydrophobicContact CZ-CG 3.58Å; F315-L393 HydrophobicContact CE1-CD2 4.47Å; F315-L393 HydrophobicContact CZ-CD2 3.8Å; F315-F396 AromaticContact CD2-CE1 3.75Å; F315-F396 HydrophobicContact CD2-CE1 3.75Å; F315-F396 AromaticContact CE2-CD1 3.85Å; F315-F396 HydrophobicContact CE2-CD1 3.85Å; F315-F396 AromaticContact CE2-CE1 3.5Å; F315-F396 HydrophobicContact CE2-CE1 3.5Å; F315-F396 VanDerWaalsContact CE2-CE1 3.5Å; F315-F396 HydrophobicContact CZ-CD1 4.38Å; F315-F396 HydrophobicContact CZ-CE1 4.31Å; F315-F407 HydrophobicContact CB-CD1 4.37Å; F315-F407 HydrophobicContact CB-CE1 3.8Å; F315-F407 HydrophobicContact CB-CZ 4.16Å; F315-F407 HydrophobicContact CD2-CD2 4.4Å; F315-F407 HydrophobicContact CD2-CE1 4.14Å; F315-F407 AromaticContact CD2-CE2 3.9Å; F315-F407 HydrophobicContact CD2-CE2 3.9Å; F315-F407 AromaticContact CD2-CZ 3.76Å; F315-F407 HydrophobicContact CD2-CZ 3.76Å; F315-F407 HydrophobicContact CG-CE1 4.49Å; F315-F407 HydrophobicContact CG-CZ 4.44Å
316	L	92	Very high	85.2	Confident	23 Å²	23	41.4 Å²	41.4	12%	0.12	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-44.2	-179.2	-70.2	173	0	0	0	111.7	I271 R312 D313 Q318 L319 Y320 L343	I271-L316 HydrophobicContact CD1-CB 4.3Å; R312-L316 HydrophobicContact CG-CD1 3.91Å; R312-L316 HydrophobicContact CG-CG 4.38Å; R312-L316 WeakPolarHBondContact O-CG 3.33Å; R312-L316 PolarHBondContact O-N 2.93Å; D313-L316 PolarHBondContact O-N 3Å; L316-Q318 VanDerWaalsContact C-N 3.32Å; L316-Q318 PolarHBondContact O-N 3.2Å; L316-L319 PolarHBondContact O-N 2.97Å; L316-Y320 HydrophobicContact CD2-CE2 4.3Å; L316-Y320 WeakPolarHBondContact O-CD2 3.2Å; L316-Y320 PolarHBondContact O-N 2.82Å; L316-L343 HydrophobicContact CD2-CB 4.45Å
317	Q	93	Very high	86.6	Confident	39 Å²	39	41.2 Å²	41.2	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-56	-44.4	174.1	-75.1	170.6	53.1	0	0	112.3	K265 M266 I268 I271 D313 K321	K265-Q317 HydrophobicContact CB-CB 4.02Å; K265-Q317 HydrophobicContact CG-CB 4.37Å; M266-Q317 PolarHBondContact N-O 3.07Å; M266-Q317 WeakPolarHBondContact O-CG 3.39Å; I268-Q317 HydrophobicContact CB-CG 4.24Å; I268-Q317 HydrophobicContact CD1-CG 4.44Å; I271-Q317 HydrophobicContact CD1-CG 4.34Å; D313-Q317 VanDerWaalsContact O-CB 3.28Å; D313-Q317 WeakPolarHBondContact O-CB 3.44Å; D313-Q317 WeakPolarHBondContact O-CG 3.42Å; D313-Q317 PolarHBondContact O-N 3.4Å; D313-Q317 PolarHBondContact O-NE2 2.96Å; Q317-K321 WeakPolarHBondContact O-CB 3.49Å; Q317-K321 PolarHBondContact O-N 3.45Å
318	Q	92.8	Very high	88	Confident	7 Å²	7	39 Å²	39	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-69.3	-42	176	-73.2	-169.1	68.1	0	0	112.6	V260 N314 F315 L316 F322 F396	V260-Q318 VanDerWaalsContact CG2-CD 3.45Å; V260-Q318 HydrophobicContact CG2-CG 3.66Å; N314-Q318 WeakPolarHBondContact O-CG 3.31Å; N314-Q318 PolarHBondContact O-N 2.87Å; N314-Q318 VanDerWaalsContact O-N 3.09Å; N314-Q318 PolarHBondContact OD1-NE2 2.88Å; F315-Q318 PolarHBondContact O-N 3.12Å; L316-Q318 VanDerWaalsContact C-N 3.32Å; L316-Q318 PolarHBondContact O-N 3.2Å; Q318-F322 VanDerWaalsContact O-CB 3.24Å; Q318-F322 WeakPolarHBondContact O-CB 3.44Å; Q318-F322 PolarHBondContact O-N 3.32Å; Q318-F396 HydrophobicContact CB-CE2 3.86Å; Q318-F396 HydrophobicContact CB-CZ 3.62Å
319	L	92.9	Very high	88.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-49.5	-177.5	175.1	63.1	0	0	0	111.9	F315 L316 K321 F322 M323 L343 L393 F396	F315-L319 HydrophobicContact CE1-CB 4.5Å; F315-L319 HydrophobicContact CE1-CD2 3.74Å; F315-L319 HydrophobicContact CZ-CD2 3.96Å; F315-L319 VanDerWaalsContact O-CB 3.28Å; F315-L319 WeakPolarHBondContact O-CB 3.05Å; F315-L319 PolarHBondContact O-N 2.87Å; L316-L319 PolarHBondContact O-N 2.97Å; L319-K321 VanDerWaalsContact C-N 3.33Å; L319-K321 PolarHBondContact O-N 2.9Å; L319-F322 PolarHBondContact O-N 3.31Å; L319-M323 HydrophobicContact CD1-CG 4.2Å; L319-M323 HydrophobicContact CD1-SD 4.2Å; L319-M323 WeakPolarHBondContact O-CB 3.49Å; L319-M323 WeakPolarHBondContact O-CG 3.48Å; L319-M323 PolarHBondContact O-N 3.05Å; L319-L343 HydrophobicContact CD2-CB 4.1Å; L319-L343 HydrophobicContact CD2-CD1 3.89Å; L319-L393 HydrophobicContact CD1-CD2 4.07Å; L319-L393 HydrophobicContact CD2-CD2 3.58Å; L319-F396 HydrophobicContact CB-CD1 4.45Å; L319-F396 HydrophobicContact CB-CE1 4.37Å; L319-F396 HydrophobicContact CB-CE2 4.46Å; L319-F396 HydrophobicContact CB-CZ 4.37Å; L319-F396 HydrophobicContact CD1-CB 3.62Å; L319-F396 HydrophobicContact CD1-CD1 3.94Å; L319-F396 HydrophobicContact CD1-CD2 4.1Å; L319-F396 HydrophobicContact CD1-CG 3.61Å
320	Y	92.8	Very high	89.5	Confident	19 Å²	19	37.2 Å²	37.2	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-42.3	179.6	-86.3	-116.6	0	0	0	110.7	I271 L316 M323 E324 I330 L343	I271-Y320 HydrophobicContact CB-CD1 4.45Å; I271-Y320 HydrophobicContact CD1-CD1 4.42Å; I271-Y320 HydrophobicContact CD1-CD2 4.08Å; I271-Y320 HydrophobicContact CD1-CG 3.87Å; I271-Y320 HydrophobicContact CG1-CD1 3.78Å; I271-Y320 HydrophobicContact CG1-CD2 4.26Å; I271-Y320 HydrophobicContact CG1-CE1 4.32Å; I271-Y320 HydrophobicContact CG1-CG 3.73Å; I271-Y320 HydrophobicContact CG2-CD1 4.29Å; I271-Y320 HydrophobicContact CG2-CD2 4.31Å; I271-Y320 HydrophobicContact CG2-CE1 4Å; I271-Y320 HydrophobicContact CG2-CE2 4.05Å; I271-Y320 HydrophobicContact CG2-CG 4.43Å; L316-Y320 HydrophobicContact CD2-CE2 4.3Å; L316-Y320 WeakPolarHBondContact O-CD2 3.2Å; L316-Y320 PolarHBondContact O-N 2.82Å; Y320-M323 PolarHBondContact O-N 3.47Å; Y320-E324 PolarHBondContact O-N 2.99Å; Y320-I330 HydrophobicContact CD1-CB 4.01Å; Y320-I330 HydrophobicContact CD2-CD1 4.26Å; Y320-I330 HydrophobicContact CE1-CB 3.63Å; Y320-I330 HydrophobicContact CE1-CG2 3.8Å; Y320-I330 WeakPolarHBondContact CE1-O 3.47Å; Y320-I330 HydrophobicContact CE2-CD1 3.93Å; Y320-L343 HydrophobicContact CE2-CD1 4.44Å
321	K	92.1	Very high	89.7	Confident	31 Å²	31	35 Å²	35	14%	0.135	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-38.6	176.8	-172.6	50.8	174.7	152	0	113.1	W264 M266 Q317 L319 M323 E324 D325	W264-K321 WeakPolarHBondContact O-CG 3.3Å; M266-K321 HydrophobicContact CB-CB 4.26Å; M266-K321 HydrophobicContact SD-CB 4.2Å; M266-K321 HydrophobicContact SD-CD 3.86Å; Q317-K321 WeakPolarHBondContact O-CB 3.49Å; Q317-K321 PolarHBondContact O-N 3.45Å; L319-K321 VanDerWaalsContact C-N 3.33Å; L319-K321 PolarHBondContact O-N 2.9Å; K321-M323 VanDerWaalsContact C-N 3.33Å; K321-E324 VanDerWaalsContact CD-OE2 3.28Å; K321-E324 WeakPolarHBondContact CD-OE2 3.3Å; K321-E324 IonicContact NZ-OE1 2.75Å; K321-E324 IonicContact NZ-OE2 2.7Å; K321-E324 PolarHBondContact NZ-OE2 2.86Å; K321-E324 PolarHBondContact O-N 3.23Å; K321-D325 WeakPolarHBondContact CE-OD1 3.48Å; K321-D325 IonicContact NZ-OD1 2.6Å; K321-D325 PolarHBondContact NZ-OD1 3.35Å; K321-D325 WeakPolarHBondContact O-CB 3.49Å; K321-D325 PolarHBondContact O-N 3.14Å
322	F	91.7	Very high	89.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-40.7	171.4	172.5	-99.7	0	0	0	112.1	C200 F221 Q318 L319 D325 R326 G395 F396 Y399	C200-F322 HydrophobicContact CB-CE2 4.19Å; C200-F322 HydrophobicContact CB-CZ 4.33Å; C200-F322 WeakPolarHBondContact O-CZ 3.23Å; F221-F322 HydrophobicContact CZ-CD2 4.02Å; F221-F322 HydrophobicContact CZ-CE2 4.14Å; Q318-F322 VanDerWaalsContact O-CB 3.24Å; Q318-F322 WeakPolarHBondContact O-CB 3.44Å; Q318-F322 PolarHBondContact O-N 3.32Å; L319-F322 PolarHBondContact O-N 3.31Å; F322-D325 PolarHBondContact O-N 3.36Å; F322-R326 WeakPolarHBondContact O-CG 3.36Å; F322-R326 PolarHBondContact O-N 3.19Å; F322-R326 VanDerWaalsContact O-N 3.08Å; F322-G395 VanDerWaalsContact CE1-C 3.48Å; F322-G395 WeakPolarHBondContact CZ-O 3.31Å; F322-F396 HydrophobicContact CB-CD2 3.75Å; F322-F396 HydrophobicContact CB-CE2 4.1Å; F322-F396 HydrophobicContact CD1-CB 3.88Å; F322-F396 AromaticContact CD1-CD2 3.75Å; F322-F396 HydrophobicContact CD1-CD2 3.75Å; F322-F396 HydrophobicContact CD1-CG 4.3Å; F322-F396 HydrophobicContact CD2-CD2 4.44Å; F322-F396 HydrophobicContact CE1-CB 3.97Å; F322-F396 HydrophobicContact CE1-CD2 4.47Å; F322-F396 AromaticContact CG-CD2 3.72Å; F322-F396 HydrophobicContact CG-CD2 3.72Å; F322-F396 HydrophobicContact CG-CE2 4.48Å; F322-Y399 HydrophobicContact CD2-CD1 4.13Å; F322-Y399 HydrophobicContact CD2-CD2 4.27Å; F322-Y399 AromaticContact CD2-CG 3.91Å; F322-Y399 HydrophobicContact CD2-CG 3.91Å; F322-Y399 HydrophobicContact CE2-CD1 4.49Å; F322-Y399 HydrophobicContact CE2-CD2 4.11Å; F322-Y399 AromaticContact CE2-CG 3.84Å; F322-Y399 HydrophobicContact CE2-CG 3.84Å
323	M	91.3	Very high	89.5	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-71.6	-33	179.1	-73.1	-158.2	61.5	0	0	113.1	L319 Y320 K321 T328 I330 Y392	L319-M323 HydrophobicContact CD1-CG 4.2Å; L319-M323 HydrophobicContact CD1-SD 4.2Å; L319-M323 WeakPolarHBondContact O-CB 3.49Å; L319-M323 WeakPolarHBondContact O-CG 3.48Å; L319-M323 PolarHBondContact O-N 3.05Å; Y320-M323 PolarHBondContact O-N 3.47Å; K321-M323 VanDerWaalsContact C-N 3.33Å; M323-T328 WeakPolarHBondContact CE-O 3.21Å; M323-T328 CarbonylContact O-C 3.53Å; M323-T328 WeakPolarHBondContact O-CA 3.28Å; M323-T328 PolarHBondContact O-N 3.35Å; M323-T328 PolarHBondContact O-OG1 2.88Å; M323-I330 HydrophobicContact CB-CG1 4.35Å; M323-I330 HydrophobicContact CE-CD1 4.37Å; M323-I330 HydrophobicContact CE-CG1 3.87Å; M323-I330 HydrophobicContact SD-CD1 3.59Å; M323-I330 VanDerWaalsContact SD-CD1 3.59Å; M323-I330 HydrophobicContact SD-CG1 3.65Å; M323-Y392 HydrophobicContact CE-CD1 3.66Å; M323-Y392 HydrophobicContact CE-CE1 4.33Å; M323-Y392 HydrophobicContact SD-CD1 3.95Å; M323-Y392 VanDerWaalsContact SD-O 3.33Å
324	E	90.4	Very high	89.5	Confident	83 Å²	83	37.3 Å²	37.3	39%	0.388	21%	0.206	S	C	.	.	H	α-helix	trans	-64.7	-53.1	167.1	-166.5	-147.6	162.5	0	0	111.5	M266 Y320 K321 R326 G327 P329	M266-E324 HydrophobicContact CE-CB 4.48Å; M266-E324 HydrophobicContact CE-CG 4.5Å; Y320-E324 PolarHBondContact O-N 2.99Å; K321-E324 VanDerWaalsContact CD-OE2 3.28Å; K321-E324 WeakPolarHBondContact CD-OE2 3.3Å; K321-E324 IonicContact NZ-OE1 2.75Å; K321-E324 IonicContact NZ-OE2 2.7Å; K321-E324 PolarHBondContact NZ-OE2 2.86Å; K321-E324 PolarHBondContact O-N 3.23Å; E324-R326 PolarHBondContact O-N 3.3Å; E324-R326 VanDerWaalsContact O-N 3.15Å; E324-G327 PolarHBondContact O-N 3.02Å; E324-P329 HydrophobicContact CB-CB 4.39Å
325	D	88.4	Confident	89.6	Confident	37 Å²	37	39.9 Å²	39.9	20%	0.198	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-20.5	-175.4	-75.8	-10.5	0	0	0	113.4	R214 F221 K321 F322	R214-D325 IonicContact CZ-OD2 2.71Å; R214-D325 IonicContact NE-OD2 3.74Å; R214-D325 IonicContact NH2-OD2 3.6Å; R214-D325 PolarHBondContact NH2-OD2 3.22Å; F221-D325 HydrophobicContact CD2-CB 4.38Å; F221-D325 HydrophobicContact CE2-CB 3.7Å; F221-D325 HydrophobicContact CZ-CB 4.43Å; K321-D325 WeakPolarHBondContact CE-OD1 3.48Å; K321-D325 IonicContact NZ-OD1 2.6Å; K321-D325 PolarHBondContact NZ-OD1 3.35Å; K321-D325 WeakPolarHBondContact O-CB 3.49Å; K321-D325 PolarHBondContact O-N 3.14Å; F322-D325 PolarHBondContact O-N 3.36Å
326	R	84.8	Confident	89.6	Confident	33 Å²	33	40.7 Å²	40.7	13%	0.125	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	10.1	170.6	80.8	-177.2	-72.3	-158	4.8	114.8	D202 F322 E324 T328	D202-R326 IonicContact OD2-CZ 3.45Å; D202-R326 IonicContact OD2-NH2 2.64Å; D202-R326 PolarHBondContact OD2-NH2 2.76Å; F322-R326 WeakPolarHBondContact O-CG 3.36Å; F322-R326 PolarHBondContact O-N 3.19Å; F322-R326 VanDerWaalsContact O-N 3.08Å; E324-R326 PolarHBondContact O-N 3.3Å; E324-R326 VanDerWaalsContact O-N 3.15Å; R326-T328 WeakPolarHBondContact CG-OG1 3.38Å; R326-T328 PolarHBondContact O-N 2.95Å
327	G	85.6	Confident	89.4	Confident	57 Å²	57	40.7 Å²	40.7	59%	0.588	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	15.1	174.6	0	0	0	0	0	115.7	E324 P329	E324-G327 PolarHBondContact O-N 3.02Å; G327-P329 VanDerWaalsContact C-CD 3.44Å
328	T	88.9	Confident	89.2	Confident	68 Å²	68	48.9 Å²	48.9	42%	0.417	26%	0.264	S	S	.	.			trans	-128.6	54.1	-179.8	62.7	0	0	0	0	112.6	M323 R326	M323-T328 WeakPolarHBondContact CE-O 3.21Å; M323-T328 CarbonylContact O-C 3.53Å; M323-T328 WeakPolarHBondContact O-CA 3.28Å; M323-T328 PolarHBondContact O-N 3.35Å; M323-T328 PolarHBondContact O-OG1 2.88Å; R326-T328 WeakPolarHBondContact CG-OG1 3.38Å; R326-T328 PolarHBondContact O-N 2.95Å
329	P	88.3	Confident	89	Confident	63 Å²	63	53 Å²	53	41%	0.409	28%	0.282	S	S	.	.			trans	-60.6	148.8	-173.6	25.6	-35.6	0	0	0	113.3	E324 G327 N331	E324-P329 HydrophobicContact CB-CB 4.39Å; G327-P329 VanDerWaalsContact C-CD 3.44Å; P329-N331 WeakPolarHBondContact CB-OD1 3.18Å; P329-N331 WeakPolarHBondContact CG-OD1 3.44Å; P329-N331 PolarHBondContact O-N 2.81Å; P329-N331 PolarHBondContact O-OD1 3.2Å
330	I	89.1	Confident	88.9	Confident	9 Å²	9	58.2 Å²	58.2	5%	0.046	31%	0.31	C	S	.	.			trans	-86.8	83.9	173.8	-53.8	-177	0	0	0	108.6	Y320 M323 K332 P334 L343 Y392	Y320-I330 HydrophobicContact CD1-CB 4.01Å; Y320-I330 HydrophobicContact CD2-CD1 4.26Å; Y320-I330 HydrophobicContact CE1-CB 3.63Å; Y320-I330 HydrophobicContact CE1-CG2 3.8Å; Y320-I330 WeakPolarHBondContact CE1-O 3.47Å; Y320-I330 HydrophobicContact CE2-CD1 3.93Å; M323-I330 HydrophobicContact CB-CG1 4.35Å; M323-I330 HydrophobicContact CE-CD1 4.37Å; M323-I330 HydrophobicContact CE-CG1 3.87Å; M323-I330 HydrophobicContact SD-CD1 3.59Å; M323-I330 VanDerWaalsContact SD-CD1 3.59Å; M323-I330 HydrophobicContact SD-CG1 3.65Å; I330-K332 WeakPolarHBondContact CG2-O 3.33Å; I330-K332 PolarHBondContact O-N 2.94Å; I330-P334 HydrophobicContact CG2-CG 4.32Å; I330-L343 HydrophobicContact CD1-CD1 3.72Å; I330-Y392 HydrophobicContact CD1-CD1 3.83Å; I330-Y392 HydrophobicContact CD1-CE1 4.35Å; I330-Y392 HydrophobicContact CG1-CD1 3.98Å; I330-Y392 HydrophobicContact CG1-CE1 4.15Å
331	N	85.4	Confident	88.8	Confident	117 Å²	117	57.7 Å²	57.7	63%	0.626	31%	0.308	S	S	*	.	S	Bend	trans	-77.8	-6.9	178.1	-61.3	25.7	0	0	0	113.9	P329	P329-N331 WeakPolarHBondContact CB-OD1 3.18Å; P329-N331 WeakPolarHBondContact CG-OD1 3.44Å; P329-N331 PolarHBondContact O-N 2.81Å; P329-N331 PolarHBondContact O-OD1 3.2Å
332	K	85.5	Confident	88.8	Confident	106 Å²	106	59.1 Å²	59.1	46%	0.461	32%	0.318	S	S	.	.	S	Bend	trans	-152.9	144.4	177.5	-71.1	-165.9	175	178.9	0	109.4	D278 I330	D278-K332 VanDerWaalsContact CG-CE 3.47Å; D278-K332 WeakPolarHBondContact OD1-CE 3.41Å; D278-K332 IonicContact OD1-NZ 3.7Å; D278-K332 PolarHBondContact OD1-NZ 3.14Å; D278-K332 WeakPolarHBondContact OD2-CE 3.47Å; D278-K332 IonicContact OD2-NZ 2.76Å; D278-K332 PolarHBondContact OD2-NZ 2.87Å; I330-K332 WeakPolarHBondContact CG2-O 3.33Å; I330-K332 PolarHBondContact O-N 2.94Å
333	P	84.4	Confident	88.8	Confident	35 Å²	35	59.4 Å²	59.4	23%	0.227	32%	0.319	C	S	.	.			trans	-63	140.2	-176.5	26.6	-31.5	0	0	0	110	V335	P333-V335 PolarHBondContact O-N 2.99Å; P333-V335 VanDerWaalsContact O-N 3.13Å
334	P	90.1	Very high	88.8	Confident	8 Å²	8	59.4 Å²	59.4	5%	0.052	32%	0.319	C	S	.	.			trans	-71.1	110	-178.4	-24.2	38.2	0	0	0	112	I330 L341 L343 Y392	I330-P334 HydrophobicContact CG2-CG 4.32Å; P334-L341 HydrophobicContact CB-CB 4.34Å; P334-L341 HydrophobicContact CB-CD2 4.43Å; P334-L341 WeakPolarHBondContact O-CB 3.34Å; P334-L341 PolarHBondContact O-N 3.41Å; P334-L343 HydrophobicContact CG-CD1 4.08Å; P334-L343 HydrophobicContact CG-CD2 4.23Å; P334-L343 HydrophobicContact CG-CG 4.45Å; P334-Y392 HydrophobicContact CB-CD2 4.1Å; P334-Y392 HydrophobicContact CB-CE1 4.24Å; P334-Y392 HydrophobicContact CB-CE2 3.57Å; P334-Y392 HydrophobicContact CG-CD1 3.89Å; P334-Y392 HydrophobicContact CG-CD2 4.07Å; P334-Y392 HydrophobicContact CG-CE1 3.55Å; P334-Y392 HydrophobicContact CG-CE2 3.77Å; P334-Y392 HydrophobicContact CG-CG 4.13Å; P334-Y392 VanDerWaalsContact CG-CZ 3.48Å
335	V	91	Very high	88.9	Confident	99 Å²	99	57.1 Å²	57.1	60%	0.6	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.1	176.2	-174.1	0	0	0	0	111	P333 K339	P333-V335 PolarHBondContact O-N 2.99Å; P333-V335 VanDerWaalsContact O-N 3.13Å; V335-K339 WeakPolarHBondContact CG1-O 3.3Å
336	L	91.6	Very high	89.1	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.084	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	118.1	174.3	-176.4	62.7	0	0	0	110.9	Y338 K339 L341 Y369 I374 N384 V385	L336-Y338 VanDerWaalsContact C-N 3.31Å; L336-Y338 PolarHBondContact O-N 2.89Å; L336-K339 PolarHBondContact N-O 3.25Å; L336-K339 PolarHBondContact O-N 2.8Å; L336-K339 VanDerWaalsContact O-O 3.12Å; L336-L341 HydrophobicContact CB-CB 4.24Å; L336-L341 HydrophobicContact CB-CD1 4.26Å; L336-L341 HydrophobicContact CB-CD2 4.34Å; L336-L341 HydrophobicContact CD2-CD1 3.82Å; L336-L341 HydrophobicContact CD2-CD2 4.24Å; L336-Y369 HydrophobicContact CD1-CE2 4.12Å; L336-Y369 HydrophobicContact CD2-CD2 4.2Å; L336-Y369 HydrophobicContact CD2-CE2 3.89Å; L336-Y369 HydrophobicContact CG-CE2 3.91Å; L336-I374 HydrophobicContact CB-CD1 4.1Å; L336-I374 HydrophobicContact CD2-CD1 3.86Å; L336-I374 HydrophobicContact CG-CD1 3.99Å; L336-I374 WeakPolarHBondContact O-CG2 3.4Å; L336-N384 HydrophobicContact CD1-CB 3.75Å; L336-V385 HydrophobicContact CD2-CB 3.98Å; L336-V385 HydrophobicContact CD2-CG2 4.38Å
337	G	87.5	Confident	89.5	Confident	23 Å²	23	53.9 Å²	53.9	24%	0.237	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	29.6	177.6	0	0	0	0	0	114.5	K339	G337-K339 VanDerWaalsContact C-N 3.26Å; G337-K339 PolarHBondContact O-N 3.42Å
338	Y	87.8	Confident	89.8	Confident	211 Å²	211	55.1 Å²	55.1	83%	0.827	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	17.7	-175.7	-44.5	-82.9	0	0	0	115.1	L336 L377	L336-Y338 VanDerWaalsContact C-N 3.31Å; L336-Y338 PolarHBondContact O-N 2.89Å; Y338-L377 HydrophobicContact CD2-CD1 4.17Å; Y338-L377 HydrophobicContact CE2-CD1 4.29Å
339	K	88.8	Confident	89.9	Confident	95 Å²	95	53.7 Å²	53.7	41%	0.413	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	156.1	162	-72.5	-170.7	168.5	-169.7	0	109.6	V335 L336 G337 G373	V335-K339 WeakPolarHBondContact CG1-O 3.3Å; L336-K339 PolarHBondContact N-O 3.25Å; L336-K339 PolarHBondContact O-N 2.8Å; L336-K339 VanDerWaalsContact O-O 3.12Å; G337-K339 VanDerWaalsContact C-N 3.26Å; G337-K339 PolarHBondContact O-N 3.42Å; K339-G373 PolarHBondContact NZ-O 3.39Å
340	D	90.7	Very high	90.1	Very high	108 Å²	108	50.7 Å²	50.7	58%	0.578	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	139.7	167.4	-66.6	-49.1	0	0	0	111.1	N342	D340-N342 PolarHBondContact O-N 3Å
341	L	91.9	Very high	90.1	Very high	9 Å²	9	54 Å²	54	5%	0.047	26%	0.262	C	S	.	.			trans	-87.9	105.5	-177.6	-175.1	58.9	0	0	0	110	P334 L336 L343 L346 L372 I374 A388	P334-L341 HydrophobicContact CB-CB 4.34Å; P334-L341 HydrophobicContact CB-CD2 4.43Å; P334-L341 WeakPolarHBondContact O-CB 3.34Å; P334-L341 PolarHBondContact O-N 3.41Å; L336-L341 HydrophobicContact CB-CB 4.24Å; L336-L341 HydrophobicContact CB-CD1 4.26Å; L336-L341 HydrophobicContact CB-CD2 4.34Å; L336-L341 HydrophobicContact CD2-CD1 3.82Å; L336-L341 HydrophobicContact CD2-CD2 4.24Å; L341-L343 HydrophobicContact CD2-CD2 4.15Å; L341-L343 HydrophobicContact CG-CD2 4.28Å; L341-L343 PolarHBondContact O-N 3.09Å; L341-L346 HydrophobicContact CD1-CB 4.45Å; L341-L346 HydrophobicContact CD1-CD2 4.1Å; L341-L346 HydrophobicContact CD2-CD2 3.79Å; L341-L346 HydrophobicContact CG-CD2 4.13Å; L341-L372 HydrophobicContact CD1-CD1 3.64Å; L341-L372 HydrophobicContact CD1-CD2 4.31Å; L341-I374 HydrophobicContact CD1-CD1 4.17Å; L341-A388 HydrophobicContact CD2-CB 3.73Å
342	N	91	Very high	90.2	Very high	61 Å²	61	56.4 Å²	56.4	33%	0.326	27%	0.269	S	S	.	.			trans	-60.7	101.3	166.9	-179.3	-19.7	0	0	0	109.1	E306 D340 F344 K345 L346	E306-N342 PolarHBondContact OE1-ND2 3.05Å; D340-N342 PolarHBondContact O-N 3Å; N342-F344 VanDerWaalsContact C-N 3.32Å; N342-F344 PolarHBondContact O-N 3.16Å; N342-F344 WeakPolarHBondContact OD1-CB 2.95Å; N342-F344 PolarHBondContact OD1-N 2.66Å; N342-K345 HydrophobicContact CB-CB 4.02Å; N342-K345 PolarHBondContact O-N 3.27Å; N342-K345 PolarHBondContact OD1-N 2.83Å; N342-L346 WeakPolarHBondContact O-CB 3.45Å; N342-L346 PolarHBondContact O-N 2.86Å
343	L	92.8	Very high	90.3	Very high	6 Å²	6	56 Å²	56	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-67.3	-31.5	-176.8	-70.1	174	0	0	0	112.3	L316 L319 Y320 I330 P334 L341 F347 L393	L316-L343 HydrophobicContact CD2-CB 4.45Å; L319-L343 HydrophobicContact CD2-CB 4.1Å; L319-L343 HydrophobicContact CD2-CD1 3.89Å; Y320-L343 HydrophobicContact CE2-CD1 4.44Å; I330-L343 HydrophobicContact CD1-CD1 3.72Å; P334-L343 HydrophobicContact CG-CD1 4.08Å; P334-L343 HydrophobicContact CG-CD2 4.23Å; P334-L343 HydrophobicContact CG-CG 4.45Å; L341-L343 HydrophobicContact CD2-CD2 4.15Å; L341-L343 HydrophobicContact CG-CD2 4.28Å; L341-L343 PolarHBondContact O-N 3.09Å; L343-F347 VanDerWaalsContact O-CB 3.25Å; L343-F347 WeakPolarHBondContact O-CB 3.45Å; L343-F347 PolarHBondContact O-N 2.63Å; L343-L393 HydrophobicContact CB-CD2 4.35Å; L343-L393 HydrophobicContact CD2-CD1 4.32Å; L343-L393 HydrophobicContact CD2-CD2 4.45Å; L343-L393 HydrophobicContact CD2-CG 4.3Å
344	F	91.4	Very high	90.3	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.013	28%	0.277	C	S	.	.	H	α-helix	trans	-70.9	-47.6	176.4	178.4	-117.6	0	0	0	111.2	E311 R312 F315 N342 L346 F347 R348 I410	E311-F344 HydrophobicContact CG-CE2 4.43Å; E311-F344 HydrophobicContact CG-CZ 4.37Å; R312-F344 HydrophobicContact CB-CD1 3.61Å; R312-F344 HydrophobicContact CB-CE1 3.7Å; R312-F344 HydrophobicContact CB-CG 4.05Å; R312-F344 HydrophobicContact CB-CZ 4.21Å; R312-F344 HydrophobicContact CG-CB 3.91Å; R312-F344 HydrophobicContact CG-CD1 3.64Å; R312-F344 HydrophobicContact CG-CE1 4.27Å; R312-F344 HydrophobicContact CG-CG 3.83Å; F315-F344 HydrophobicContact CB-CD2 3.8Å; F315-F344 HydrophobicContact CB-CE2 4.08Å; F315-F344 HydrophobicContact CD1-CB 3.84Å; F315-F344 AromaticContact CD1-CD2 3.64Å; F315-F344 HydrophobicContact CD1-CD2 3.64Å; F315-F344 HydrophobicContact CD1-CG 4.2Å; F315-F344 HydrophobicContact CD2-CD2 4.23Å; F315-F344 HydrophobicContact CE1-CB 4.03Å; F315-F344 HydrophobicContact CE1-CD2 4.27Å; F315-F344 AromaticContact CG-CD2 3.62Å; F315-F344 HydrophobicContact CG-CD2 3.62Å; F315-F344 HydrophobicContact CG-CE2 4.27Å; N342-F344 VanDerWaalsContact C-N 3.32Å; N342-F344 PolarHBondContact O-N 3.16Å; N342-F344 WeakPolarHBondContact OD1-CB 2.95Å; N342-F344 PolarHBondContact OD1-N 2.66Å; F344-L346 VanDerWaalsContact C-N 3.35Å; F344-L346 PolarHBondContact O-N 2.84Å; F344-F347 PolarHBondContact O-N 2.98Å; F344-F347 VanDerWaalsContact O-N 3.17Å; F344-R348 WeakPolarHBondContact O-CB 3.29Å; F344-R348 PolarHBondContact O-N 2.65Å; F344-I410 HydrophobicContact CE2-CD1 4.41Å
345	K	91.9	Very high	90.2	Very high	36 Å²	36	55.8 Å²	55.8	16%	0.157	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-44.1	174.6	-167.2	176.4	-168.9	-174.3	0	111.4	E304 N342 F347 R348 L349 D371 L372	E304-K345 WeakPolarHBondContact OE1-CE 3.44Å; E304-K345 IonicContact OE1-NZ 3.1Å; E304-K345 PolarHBondContact OE1-NZ 3.5Å; E304-K345 IonicContact OE2-NZ 3.51Å; E304-K345 PolarHBondContact OE2-NZ 2.83Å; N342-K345 HydrophobicContact CB-CB 4.02Å; N342-K345 PolarHBondContact O-N 3.27Å; N342-K345 PolarHBondContact OD1-N 2.83Å; K345-F347 PolarHBondContact O-N 3.07Å; K345-R348 PolarHBondContact O-N 3.06Å; K345-L349 HydrophobicContact CG-CD1 4.02Å; K345-L349 HydrophobicContact CG-CG 4.47Å; K345-L349 WeakPolarHBondContact O-CB 3.3Å; K345-L349 WeakPolarHBondContact O-CD1 3.1Å; K345-L349 VanDerWaalsContact O-CG 3.24Å; K345-L349 WeakPolarHBondContact O-CG 3.4Å; K345-L349 PolarHBondContact O-N 3.47Å; K345-D371 VanDerWaalsContact CE-O 3.24Å; K345-D371 WeakPolarHBondContact CE-O 3.49Å; K345-D371 PolarHBondContact NZ-O 2.85Å; K345-L372 HydrophobicContact CB-CD2 4.13Å; K345-L372 HydrophobicContact CD-CD2 4.35Å; K345-L372 HydrophobicContact CG-CD2 4.16Å
346	L	93.6	Very high	90	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-43.5	174.3	172.4	57.6	0	0	0	112	L341 N342 F344 L349 V350 I368 L372 V385 Y389 L393	L341-L346 HydrophobicContact CD1-CB 4.45Å; L341-L346 HydrophobicContact CD1-CD2 4.1Å; L341-L346 HydrophobicContact CD2-CD2 3.79Å; L341-L346 HydrophobicContact CG-CD2 4.13Å; N342-L346 WeakPolarHBondContact O-CB 3.45Å; N342-L346 PolarHBondContact O-N 2.86Å; F344-L346 VanDerWaalsContact C-N 3.35Å; F344-L346 PolarHBondContact O-N 2.84Å; L346-L349 PolarHBondContact O-N 2.96Å; L346-V350 HydrophobicContact CD1-CG2 4Å; L346-V350 PolarHBondContact O-N 2.77Å; L346-V350 VanDerWaalsContact O-N 3.11Å; L346-I368 HydrophobicContact CD1-CG2 3.7Å; L346-L372 HydrophobicContact CB-CD1 4.29Å; L346-L372 HydrophobicContact CB-CD2 4.04Å; L346-L372 HydrophobicContact CD1-CD1 4.11Å; L346-V385 HydrophobicContact CD1-CG2 3.45Å; L346-V385 VanDerWaalsContact CD1-CG2 3.45Å; L346-V385 HydrophobicContact CD2-CG2 4.15Å; L346-V385 HydrophobicContact CG-CG2 4.48Å; L346-Y389 HydrophobicContact CD1-CD2 3.91Å; L346-Y389 HydrophobicContact CD2-CD2 4.07Å; L346-Y389 HydrophobicContact CG-CD2 3.76Å; L346-Y389 HydrophobicContact CG-CE2 4.32Å; L346-L393 HydrophobicContact CB-CD1 4.11Å; L346-L393 HydrophobicContact CD2-CD1 3.68Å; L346-L393 HydrophobicContact CG-CD1 3.64Å
347	F	92.7	Very high	89.8	Confident	1 Å²	1	53.7 Å²	53.7	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-49	177.2	-174.1	-104.7	0	0	0	111.7	F315 L343 F344 K345 L349 V350 Y351 Y389 L393 E397 F407 I410	F315-F347 AromaticContact CD2-CD1 3.94Å; F315-F347 HydrophobicContact CD2-CD1 3.94Å; F315-F347 HydrophobicContact CD2-CE1 4.26Å; F315-F347 HydrophobicContact CD2-CG 4.46Å; F315-F347 HydrophobicContact CE1-CB 4.36Å; F315-F347 HydrophobicContact CE2-CB 3.83Å; F315-F347 AromaticContact CE2-CD1 3.25Å; F315-F347 HydrophobicContact CE2-CD1 3.25Å; F315-F347 AromaticContact CE2-CD2 3.95Å; F315-F347 HydrophobicContact CE2-CD2 3.95Å; F315-F347 AromaticContact CE2-CE1 3.72Å; F315-F347 HydrophobicContact CE2-CE1 3.72Å; F315-F347 HydrophobicContact CE2-CE2 4.35Å; F315-F347 AromaticContact CE2-CG 3.39Å; F315-F347 HydrophobicContact CE2-CG 3.39Å; F315-F347 HydrophobicContact CE2-CZ 4.25Å; F315-F347 HydrophobicContact CZ-CB 3.5Å; F315-F347 VanDerWaalsContact CZ-CB 3.5Å; F315-F347 AromaticContact CZ-CD1 3.9Å; F315-F347 HydrophobicContact CZ-CD1 3.9Å; F315-F347 HydrophobicContact CZ-CD2 4.14Å; F315-F347 AromaticContact CZ-CG 3.58Å; F315-F347 HydrophobicContact CZ-CG 3.58Å; L343-F347 VanDerWaalsContact O-CB 3.25Å; L343-F347 WeakPolarHBondContact O-CB 3.45Å; L343-F347 PolarHBondContact O-N 2.63Å; F344-F347 PolarHBondContact O-N 2.98Å; F344-F347 VanDerWaalsContact O-N 3.17Å; K345-F347 PolarHBondContact O-N 3.07Å; F347-L349 PolarHBondContact O-N 2.77Å; F347-V350 PolarHBondContact O-N 2.89Å; F347-Y351 HydrophobicContact CE1-CD2 4.33Å; F347-Y351 HydrophobicContact CZ-CD2 4.1Å; F347-Y351 WeakPolarHBondContact O-CB 3.06Å; F347-Y351 PolarHBondContact O-N 3.04Å; F347-Y389 HydrophobicContact CD2-CE2 4.4Å; F347-Y389 VanDerWaalsContact CD2-OH 3.23Å; F347-Y389 WeakPolarHBondContact CD2-OH 3.34Å; F347-Y389 WeakPolarHBondContact CE2-OH 3.49Å; F347-L393 HydrophobicContact CB-CD1 4.11Å; F347-L393 HydrophobicContact CB-CD2 4.37Å; F347-L393 HydrophobicContact CD2-CB 4.46Å; F347-L393 HydrophobicContact CD2-CD2 4.37Å; F347-E397 HydrophobicContact CE2-CB 3.89Å; F347-E397 HydrophobicContact CE2-CG 4.05Å; F347-F407 HydrophobicContact CE1-CD2 4.05Å; F347-F407 HydrophobicContact CE1-CE2 4.43Å; F347-I410 HydrophobicContact CD1-CD1 3.4Å; F347-I410 VanDerWaalsContact CD1-CD1 3.4Å; F347-I410 HydrophobicContact CE1-CD1 3.55Å
348	R	91.4	Very high	89.8	Confident	83 Å²	83	58.4 Å²	58.4	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-44.2	177.4	-175.5	174.5	-173.8	-149.4	0.4	112.6	F344 K345 Y351 H352 T409 I410	F344-R348 WeakPolarHBondContact O-CB 3.29Å; F344-R348 PolarHBondContact O-N 2.65Å; K345-R348 PolarHBondContact O-N 3.06Å; R348-Y351 PolarHBondContact O-N 2.84Å; R348-H352 VanDerWaalsContact O-CB 3.29Å; R348-H352 WeakPolarHBondContact O-CB 3.27Å; R348-H352 PolarHBondContact O-N 2.9Å; R348-T409 VanDerWaalsContact CZ-CG2 3.47Å; R348-T409 PolarHBondContact NE-O 2.84Å; R348-T409 VanDerWaalsContact NE-O 3.13Å; R348-I410 HydrophobicContact CB-CD1 4.38Å; R348-I410 HydrophobicContact CB-CG1 4.36Å; R348-I410 HydrophobicContact CG-CG1 4.21Å
349	L	92.1	Very high	89.9	Confident	39 Å²	39	48.5 Å²	48.5	20%	0.204	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-45	178.4	-74.2	166.4	0	0	0	112.5	K345 L346 F347 Q353 I368 D371 L372	K345-L349 HydrophobicContact CG-CD1 4.02Å; K345-L349 HydrophobicContact CG-CG 4.47Å; K345-L349 WeakPolarHBondContact O-CB 3.3Å; K345-L349 WeakPolarHBondContact O-CD1 3.1Å; K345-L349 VanDerWaalsContact O-CG 3.24Å; K345-L349 WeakPolarHBondContact O-CG 3.4Å; K345-L349 PolarHBondContact O-N 3.47Å; L346-L349 PolarHBondContact O-N 2.96Å; F347-L349 PolarHBondContact O-N 2.77Å; L349-Q353 PolarHBondContact O-N 3.41Å; L349-I368 HydrophobicContact CB-CG1 4.31Å; L349-I368 HydrophobicContact CB-CG2 3.96Å; L349-I368 HydrophobicContact CD1-CG2 4.23Å; L349-D371 HydrophobicContact CD1-CB 3.77Å; L349-D371 HydrophobicContact CD2-CB 3.75Å; L349-D371 HydrophobicContact CG-CB 4.44Å; L349-L372 HydrophobicContact CD1-CD2 4.13Å; L349-L372 HydrophobicContact CD1-CG 3.99Å
350	V	92.3	Very high	89.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-38.7	176.5	167.6	0	0	0	0	111.6	L346 F347 Q353 G354 G355 C356 I359 W365 I368 Y389	L346-V350 HydrophobicContact CD1-CG2 4Å; L346-V350 PolarHBondContact O-N 2.77Å; L346-V350 VanDerWaalsContact O-N 3.11Å; F347-V350 PolarHBondContact O-N 2.89Å; V350-Q353 PolarHBondContact O-N 3.13Å; V350-G354 PolarHBondContact O-N 3.26Å; V350-G355 WeakPolarHBondContact O-CA 3.22Å; V350-G355 PolarHBondContact O-N 3.42Å; V350-C356 HydrophobicContact CG1-CB 4.05Å; V350-I359 HydrophobicContact CB-CD1 4.26Å; V350-I359 HydrophobicContact CG1-CD1 3.86Å; V350-I359 HydrophobicContact CG2-CD1 4.17Å; V350-W365 HydrophobicContact CG1-CH2 4.25Å; V350-W365 HydrophobicContact CG2-CE3 4.49Å; V350-W365 HydrophobicContact CG2-CH2 3.81Å; V350-W365 HydrophobicContact CG2-CZ3 3.6Å; V350-I368 HydrophobicContact CG2-CD1 3.72Å; V350-I368 HydrophobicContact CG2-CG2 4.32Å; V350-Y389 HydrophobicContact CB-CD2 4Å; V350-Y389 HydrophobicContact CB-CE2 3.42Å; V350-Y389 VanDerWaalsContact CB-CE2 3.42Å; V350-Y389 HydrophobicContact CG1-CD2 4.17Å; V350-Y389 HydrophobicContact CG1-CE1 4.07Å; V350-Y389 HydrophobicContact CG1-CE2 3.56Å; V350-Y389 HydrophobicContact CG2-CD2 3.56Å; V350-Y389 HydrophobicContact CG2-CE2 3.54Å; V350-Y389 HydrophobicContact CG2-CG 4.36Å
351	Y	88.3	Confident	89.7	Confident	79 Å²	79	47.4 Å²	47.4	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-69.3	-41.9	179	-161.6	-70.5	0	0	0	112.2	F347 R348 Q353 G354 G355 I410 H411	F347-Y351 HydrophobicContact CE1-CD2 4.33Å; F347-Y351 HydrophobicContact CZ-CD2 4.1Å; F347-Y351 WeakPolarHBondContact O-CB 3.06Å; F347-Y351 PolarHBondContact O-N 3.04Å; R348-Y351 PolarHBondContact O-N 2.84Å; Y351-Q353 PolarHBondContact O-N 3.25Å; Y351-Q353 VanDerWaalsContact O-N 3.15Å; Y351-G354 WeakPolarHBondContact O-CA 3.37Å; Y351-G354 PolarHBondContact O-N 3.11Å; Y351-G355 PolarHBondContact O-N 3.4Å; Y351-I410 HydrophobicContact CD1-CG2 3.13Å; Y351-I410 HydrophobicContact CD2-CG2 3.94Å; Y351-I410 HydrophobicContact CE1-CG2 3.73Å; Y351-I410 HydrophobicContact CE2-CG2 4.43Å; Y351-I410 HydrophobicContact CG-CG2 3.26Å; Y351-H411 AromaticContact CE1-CE1 3.92Å; Y351-H411 AromaticContact CZ-CE1 3.94Å; Y351-H411 PolarHBondContact OH-CE1 3.44Å; Y351-H411 PolarHBondContact OH-NE2 3.33Å
352	H	87.6	Confident	89.5	Confident	167 Å²	167	49 Å²	49	77%	0.773	26%	0.263	S	S	*	.	H	α-helix	trans	-58.1	-29.4	175.7	-174.9	67	0	0	0	112.4	R348 G354	R348-H352 VanDerWaalsContact O-CB 3.29Å; R348-H352 WeakPolarHBondContact O-CB 3.27Å; R348-H352 PolarHBondContact O-N 2.9Å; H352-G354 VanDerWaalsContact C-N 3.28Å; H352-G354 PolarHBondContact O-N 3.12Å
353	Q	87.8	Confident	89.5	Confident	97 Å²	97	49.7 Å²	49.7	45%	0.453	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.8	175.2	-173.7	55.5	93.6	0	0	114	L349 V350 Y351 I359 V364	L349-Q353 PolarHBondContact O-N 3.41Å; V350-Q353 PolarHBondContact O-N 3.13Å; Y351-Q353 PolarHBondContact O-N 3.25Å; Y351-Q353 VanDerWaalsContact O-N 3.15Å; Q353-I359 HydrophobicContact CB-CD1 3.93Å; Q353-I359 HydrophobicContact CB-CG1 4.46Å; Q353-I359 HydrophobicContact CG-CD1 3.67Å; Q353-I359 HydrophobicContact CG-CG1 3.87Å; Q353-V364 HydrophobicContact CG-CG1 3.49Å; Q353-V364 VanDerWaalsContact CG-CG1 3.49Å; Q353-V364 VanDerWaalsContact OE1-CG1 3.31Å
354	G	84.4	Confident	89.6	Confident	38 Å²	38	51.1 Å²	51.1	39%	0.392	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.9	5.9	178.7	0	0	0	0	0	115.3	V350 Y351 H352 N358	V350-G354 PolarHBondContact O-N 3.26Å; Y351-G354 WeakPolarHBondContact O-CA 3.37Å; Y351-G354 PolarHBondContact O-N 3.11Å; H352-G354 VanDerWaalsContact C-N 3.28Å; H352-G354 PolarHBondContact O-N 3.12Å; G354-N358 PolarHBondContact O-ND2 2.85Å
355	G	87.1	Confident	89.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.01	29%	0.286	C	S	.	.			trans	87.2	162	-173.8	0	0	0	0	0	112.9	V350 Y351 D357 N358 I359 E397	V350-G355 WeakPolarHBondContact O-CA 3.22Å; V350-G355 PolarHBondContact O-N 3.42Å; Y351-G355 PolarHBondContact O-N 3.4Å; G355-D357 PolarHBondContact O-N 2.99Å; G355-D357 VanDerWaalsContact O-N 3.11Å; G355-N358 PolarHBondContact O-N 2.72Å; G355-N358 VanDerWaalsContact O-N 3.13Å; G355-I359 WeakPolarHBondContact O-CG1 3.39Å; G355-E397 WeakPolarHBondContact CA-OE1 3.47Å
356	C	87.6	Confident	89.8	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.007	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-58.5	-32.8	-166.3	-179.2	0	0	0	0	114.2	V350 I359 W365 Y389 Y394 E397	V350-C356 HydrophobicContact CG1-CB 4.05Å; C356-I359 PolarHBondContact O-N 2.82Å; C356-W365 HydrophobicContact CB-CH2 4.48Å; C356-Y389 HydrophobicContact CB-CD1 3.88Å; C356-Y389 HydrophobicContact CB-CE1 3.59Å; C356-Y394 HydrophobicContact CB-CD2 4.04Å; C356-E397 WeakPolarHBondContact CB-OE2 3.41Å; C356-E397 PolarHBondContact N-OE1 3.08Å; C356-E397 VanDerWaalsContact N-OE1 3.12Å; C356-E397 PolarHBondContact N-OE2 2.92Å; C356-E397 VanDerWaalsContact N-OE2 3.1Å
357	D	86.3	Confident	89.8	Confident	70 Å²	70	58.6 Å²	58.6	37%	0.374	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-73.5	-28.3	-175.9	-59.5	-49.6	0	0	0	112.6	G355 I359 Y394 R401	G355-D357 PolarHBondContact O-N 2.99Å; G355-D357 VanDerWaalsContact O-N 3.11Å; D357-I359 PolarHBondContact O-N 3.33Å; D357-Y394 WeakPolarHBondContact OD1-CE2 3.38Å; D357-R401 IonicContact OD2-CZ 2.8Å; D357-R401 IonicContact OD2-NH1 2.76Å; D357-R401 PolarHBondContact OD2-NH1 3.25Å; D357-R401 IonicContact OD2-NH2 3.36Å; D357-R401 PolarHBondContact OD2-NH2 3.26Å
358	N	87.6	Confident	89.9	Confident	122 Å²	122	58.8 Å²	58.8	65%	0.652	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-79.6	0.7	173.3	-72.9	-52.6	0	0	0	113.1	G354 G355	G354-N358 PolarHBondContact O-ND2 2.85Å; G355-N358 PolarHBondContact O-N 2.72Å; G355-N358 VanDerWaalsContact O-N 3.13Å
359	I	90.5	Very high	90	Very high	3 Å²	3	55 Å²	55	2%	0.015	31%	0.306	C	S	.	.			trans	-109.1	75.6	179.3	-36.2	-174.6	0	0	0	111.8	V350 Q353 G355 C356 D357 S361 V364 W365 I368 K386	V350-I359 HydrophobicContact CB-CD1 4.26Å; V350-I359 HydrophobicContact CG1-CD1 3.86Å; V350-I359 HydrophobicContact CG2-CD1 4.17Å; Q353-I359 HydrophobicContact CB-CD1 3.93Å; Q353-I359 HydrophobicContact CB-CG1 4.46Å; Q353-I359 HydrophobicContact CG-CD1 3.67Å; Q353-I359 HydrophobicContact CG-CG1 3.87Å; G355-I359 WeakPolarHBondContact O-CG1 3.39Å; C356-I359 PolarHBondContact O-N 2.82Å; D357-I359 PolarHBondContact O-N 3.33Å; I359-S361 VanDerWaalsContact C-N 3.32Å; I359-V364 HydrophobicContact CD1-CG1 4.45Å; I359-V364 HydrophobicContact CG2-CB 3.66Å; I359-V364 HydrophobicContact CG2-CG1 3.55Å; I359-W365 HydrophobicContact CB-CZ2 3.84Å; I359-W365 HydrophobicContact CD1-CH2 4.39Å; I359-W365 HydrophobicContact CD1-CZ2 4.08Å; I359-W365 HydrophobicContact CG1-CZ2 4.35Å; I359-W365 VanDerWaalsContact CG2-CD1 3.45Å; I359-W365 HydrophobicContact CG2-CD2 4.26Å; I359-W365 HydrophobicContact CG2-CG 4.14Å; I359-W365 HydrophobicContact CG2-CZ2 4.3Å; I359-W365 PolarHBondContact O-NE1 3.24Å; I359-I368 HydrophobicContact CD1-CD1 3.8Å; I359-K386 PolarHBondContact O-NZ 3.44Å
360	D	86.4	Confident	90	Very high	130 Å²	130	57.3 Å²	57.3	70%	0.695	32%	0.317	S	S	*	.			trans	-63.2	-41.6	166.3	73	-26.3	0	0	0	111.3	G362	D360-G362 PolarHBondContact O-N 3.42Å
361	S	88.4	Confident	90.1	Very high	49 Å²	49	60 Å²	60	34%	0.343	33%	0.331	S	S	.	.			trans	-80.6	115.1	-158.4	-76.1	0	0	0	0	113.3	I359 A363 V364 W365	I359-S361 VanDerWaalsContact C-N 3.32Å; S361-A363 PolarHBondContact O-N 3.13Å; S361-V364 WeakPolarHBondContact O-CB 3.34Å; S361-V364 PolarHBondContact O-N 3.16Å; S361-W365 PolarHBondContact O-N 2.88Å
362	G	88.4	Confident	90.2	Very high	43 Å²	43	57.2 Å²	57.2	44%	0.443	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-16.4	177.5	0	0	0	0	0	115.1	D360 K366 S382	D360-G362 PolarHBondContact O-N 3.42Å; G362-K366 PolarHBondContact O-N 3.11Å; G362-S382 VanDerWaalsContact O-CB 3.23Å; G362-S382 WeakPolarHBondContact O-CB 3.34Å
363	A	91.7	Very high	90.3	Very high	76 Å²	76	51.3 Å²	51.3	63%	0.628	31%	0.306	S	S	*	.	H	α-helix	trans	-72	-38.6	171	0	0	0	0	0	112.2	S361 K366 Q367	S361-A363 PolarHBondContact O-N 3.13Å; A363-K366 WeakPolarHBondContact O-CA 3.38Å; A363-K366 VanDerWaalsContact O-CB 3.3Å; A363-K366 WeakPolarHBondContact O-CB 3.41Å; A363-K366 PolarHBondContact O-N 3.06Å; A363-K366 VanDerWaalsContact O-N 3.12Å; A363-Q367 PolarHBondContact O-N 3.12Å
364	V	94.1	Very high	90.5	Very high	35 Å²	35	47 Å²	47	21%	0.212	29%	0.286	C	S	.	.	H	α-helix	trans	-70.6	-43.6	178.6	179	0	0	0	0	110.3	Q353 I359 S361 K366 Q367 I368	Q353-V364 HydrophobicContact CG-CG1 3.49Å; Q353-V364 VanDerWaalsContact CG-CG1 3.49Å; Q353-V364 VanDerWaalsContact OE1-CG1 3.31Å; I359-V364 HydrophobicContact CD1-CG1 4.45Å; I359-V364 HydrophobicContact CG2-CB 3.66Å; I359-V364 HydrophobicContact CG2-CG1 3.55Å; S361-V364 WeakPolarHBondContact O-CB 3.34Å; S361-V364 PolarHBondContact O-N 3.16Å; V364-K366 PolarHBondContact O-N 2.61Å; V364-Q367 WeakPolarHBondContact O-CB 3.46Å; V364-Q367 PolarHBondContact O-N 2.62Å; V364-I368 HydrophobicContact CG1-CD1 4.3Å; V364-I368 WeakPolarHBondContact O-CG1 3.43Å; V364-I368 PolarHBondContact O-N 3.29Å
365	W	94.6	Very high	90.6	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.011	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-25.8	168.8	-70.5	101.3	0	0	0	113.4	V350 C356 I359 S361 Y369 V385 K386 Y389	V350-W365 HydrophobicContact CG1-CH2 4.25Å; V350-W365 HydrophobicContact CG2-CE3 4.49Å; V350-W365 HydrophobicContact CG2-CH2 3.81Å; V350-W365 HydrophobicContact CG2-CZ3 3.6Å; C356-W365 HydrophobicContact CB-CH2 4.48Å; I359-W365 HydrophobicContact CB-CZ2 3.84Å; I359-W365 HydrophobicContact CD1-CH2 4.39Å; I359-W365 HydrophobicContact CD1-CZ2 4.08Å; I359-W365 HydrophobicContact CG1-CZ2 4.35Å; I359-W365 VanDerWaalsContact CG2-CD1 3.45Å; I359-W365 HydrophobicContact CG2-CD2 4.26Å; I359-W365 HydrophobicContact CG2-CG 4.14Å; I359-W365 HydrophobicContact CG2-CZ2 4.3Å; I359-W365 PolarHBondContact O-NE1 3.24Å; S361-W365 PolarHBondContact O-N 2.88Å; W365-Y369 PolarHBondContact O-N 2.96Å; W365-V385 HydrophobicContact CB-CG1 4.4Å; W365-V385 HydrophobicContact CE3-CG1 4.11Å; W365-V385 HydrophobicContact CE3-CG2 4.46Å; W365-V385 WeakPolarHBondContact O-CG1 3.19Å; W365-K386 HydrophobicContact CD2-CB 3.71Å; W365-K386 HydrophobicContact CD2-CD 4.06Å; W365-K386 HydrophobicContact CD2-CG 3.91Å; W365-K386 HydrophobicContact CE3-CB 3.87Å; W365-K386 HydrophobicContact CE3-CG 4.31Å; W365-K386 HydrophobicContact CG-CB 4.12Å; W365-K386 HydrophobicContact CG-CD 4.18Å; W365-K386 HydrophobicContact CG-CG 4.43Å; W365-K386 HydrophobicContact CH2-CG 4.25Å; W365-K386 HydrophobicContact CZ2-CB 4.45Å; W365-K386 HydrophobicContact CZ2-CD 4.12Å; W365-K386 HydrophobicContact CZ2-CG 3.84Å; W365-K386 HydrophobicContact CZ3-CB 4.29Å; W365-K386 HydrophobicContact CZ3-CG 4.46Å; W365-Y389 HydrophobicContact CH2-CD1 4.29Å; W365-Y389 HydrophobicContact CH2-CD2 4.43Å; W365-Y389 AromaticContact CH2-CG 3.95Å; W365-Y389 HydrophobicContact CH2-CG 3.95Å; W365-Y389 HydrophobicContact CZ3-CD2 4.36Å; W365-Y389 HydrophobicContact CZ3-CG 4.11Å
366	K	93.3	Very high	90.7	Very high	101 Å²	101	51.5 Å²	51.5	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-76	-38.2	172.3	-173.1	-163.4	168	-158.1	0	111.3	G362 A363 V364 Y369 M370 I376	G362-K366 PolarHBondContact O-N 3.11Å; A363-K366 WeakPolarHBondContact O-CA 3.38Å; A363-K366 VanDerWaalsContact O-CB 3.3Å; A363-K366 WeakPolarHBondContact O-CB 3.41Å; A363-K366 PolarHBondContact O-N 3.06Å; A363-K366 VanDerWaalsContact O-N 3.12Å; V364-K366 PolarHBondContact O-N 2.61Å; K366-Y369 WeakPolarHBondContact O-CB 3.28Å; K366-Y369 PolarHBondContact O-N 2.95Å; K366-M370 PolarHBondContact O-N 3.41Å; K366-I376 HydrophobicContact CD-CD1 4.37Å; K366-I376 VanDerWaalsContact CE-CD1 3.45Å; K366-I376 HydrophobicContact CG-CD1 3.92Å
367	Q	93.6	Very high	90.4	Very high	92 Å²	92	56.9 Å²	56.9	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-49.3	175.7	-170.7	57.1	49.9	0	0	110.7	A363 V364 Y369 M370 D371	A363-Q367 PolarHBondContact O-N 3.12Å; V364-Q367 WeakPolarHBondContact O-CB 3.46Å; V364-Q367 PolarHBondContact O-N 2.62Å; Q367-Y369 PolarHBondContact O-N 2.94Å; Q367-Y369 VanDerWaalsContact O-N 3.14Å; Q367-M370 CarbonylContact O-C 3.56Å; Q367-M370 WeakPolarHBondContact O-CA 3.39Å; Q367-M370 VanDerWaalsContact O-CB 3.3Å; Q367-M370 WeakPolarHBondContact O-CB 3.48Å; Q367-M370 PolarHBondContact O-N 3.21Å; Q367-D371 PolarHBondContact NE2-OD1 3.2Å; Q367-D371 PolarHBondContact O-N 2.8Å
368	I	94.3	Very high	90.2	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-57	-33.5	175.9	-64.7	174.1	0	0	0	112	L346 L349 V350 I359 V364 L372 V385	L346-I368 HydrophobicContact CD1-CG2 3.7Å; L349-I368 HydrophobicContact CB-CG1 4.31Å; L349-I368 HydrophobicContact CB-CG2 3.96Å; L349-I368 HydrophobicContact CD1-CG2 4.23Å; V350-I368 HydrophobicContact CG2-CD1 3.72Å; V350-I368 HydrophobicContact CG2-CG2 4.32Å; I359-I368 HydrophobicContact CD1-CD1 3.8Å; V364-I368 HydrophobicContact CG1-CD1 4.3Å; V364-I368 WeakPolarHBondContact O-CG1 3.43Å; V364-I368 PolarHBondContact O-N 3.29Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.5Å; I368-L372 PolarHBondContact O-N 2.91Å; I368-V385 HydrophobicContact CG2-CG2 4.36Å
369	Y	93.8	Very high	90.1	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.012	34%	0.344	C	S	.	.	H	α-helix	trans	-66.2	-34.8	173	-164.7	-81.3	0	0	0	112.9	L336 W365 K366 Q367 I374 I376 A381 V385	L336-Y369 HydrophobicContact CD1-CE2 4.12Å; L336-Y369 HydrophobicContact CD2-CD2 4.2Å; L336-Y369 HydrophobicContact CD2-CE2 3.89Å; L336-Y369 HydrophobicContact CG-CE2 3.91Å; W365-Y369 PolarHBondContact O-N 2.96Å; K366-Y369 WeakPolarHBondContact O-CB 3.28Å; K366-Y369 PolarHBondContact O-N 2.95Å; Q367-Y369 PolarHBondContact O-N 2.94Å; Q367-Y369 VanDerWaalsContact O-N 3.14Å; Y369-I374 HydrophobicContact CD1-CB 4.12Å; Y369-I374 HydrophobicContact CD1-CG2 4.38Å; Y369-I374 WeakPolarHBondContact CD1-O 3.28Å; Y369-I374 HydrophobicContact CE1-CB 3.75Å; Y369-I374 HydrophobicContact CE1-CG2 3.52Å; Y369-I374 WeakPolarHBondContact CE1-O 3.34Å; Y369-I374 HydrophobicContact CE2-CG2 4.41Å; Y369-I374 WeakPolarHBondContact OH-CG2 3.4Å; Y369-I376 HydrophobicContact CD1-CG1 3.73Å; Y369-I376 HydrophobicContact CE1-CG1 4.15Å; Y369-A381 HydrophobicContact CD1-CB 3.78Å; Y369-A381 HydrophobicContact CD2-CB 3.75Å; Y369-A381 WeakPolarHBondContact CD2-O 3.37Å; Y369-A381 HydrophobicContact CE1-CB 3.75Å; Y369-A381 HydrophobicContact CE2-CB 3.76Å; Y369-A381 WeakPolarHBondContact CE2-O 3.43Å; Y369-A381 HydrophobicContact CG-CB 3.77Å; Y369-V385 HydrophobicContact CD2-CB 3.96Å; Y369-V385 HydrophobicContact CD2-CG1 3.97Å
370	M	92.2	Very high	90.1	Very high	88 Å²	88	59 Å²	59	43%	0.433	36%	0.359	S	S	.	.	H	α-helix	trans	-73.8	-43	175.2	-65.4	172.2	49.5	0	0	111.6	K366 Q367 L372 G373 I376	K366-M370 PolarHBondContact O-N 3.41Å; Q367-M370 CarbonylContact O-C 3.56Å; Q367-M370 WeakPolarHBondContact O-CA 3.39Å; Q367-M370 VanDerWaalsContact O-CB 3.3Å; Q367-M370 WeakPolarHBondContact O-CB 3.48Å; Q367-M370 PolarHBondContact O-N 3.21Å; M370-L372 PolarHBondContact O-N 2.89Å; M370-G373 PolarHBondContact O-N 2.84Å; M370-I376 HydrophobicContact CG-CD1 3.29Å; M370-I376 HydrophobicContact CG-CG1 4.07Å; M370-I376 HydrophobicContact SD-CD1 3.57Å; M370-I376 VanDerWaalsContact SD-CD1 3.57Å
371	D	93.3	Very high	90.3	Very high	56 Å²	56	53 Å²	53	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-23.2	-178.3	-52.3	-30.5	0	0	0	112	K345 L349 Q367 G373	K345-D371 VanDerWaalsContact CE-O 3.24Å; K345-D371 WeakPolarHBondContact CE-O 3.49Å; K345-D371 PolarHBondContact NZ-O 2.85Å; L349-D371 HydrophobicContact CD1-CB 3.77Å; L349-D371 HydrophobicContact CD2-CB 3.75Å; L349-D371 HydrophobicContact CG-CB 4.44Å; Q367-D371 PolarHBondContact NE2-OD1 3.2Å; Q367-D371 PolarHBondContact O-N 2.8Å; D371-G373 PolarHBondContact O-N 2.83Å
372	L	91.9	Very high	90.5	Very high	21 Å²	21	52 Å²	52	11%	0.11	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-2.5	168.1	-76.5	170.4	0	0	0	114.6	L341 K345 L346 L349 I368 M370 I374 V385	L341-L372 HydrophobicContact CD1-CD1 3.64Å; L341-L372 HydrophobicContact CD1-CD2 4.31Å; K345-L372 HydrophobicContact CB-CD2 4.13Å; K345-L372 HydrophobicContact CD-CD2 4.35Å; K345-L372 HydrophobicContact CG-CD2 4.16Å; L346-L372 HydrophobicContact CB-CD1 4.29Å; L346-L372 HydrophobicContact CB-CD2 4.04Å; L346-L372 HydrophobicContact CD1-CD1 4.11Å; L349-L372 HydrophobicContact CD1-CD2 4.13Å; L349-L372 HydrophobicContact CD1-CG 3.99Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.5Å; I368-L372 PolarHBondContact O-N 2.91Å; M370-L372 PolarHBondContact O-N 2.89Å; L372-I374 VanDerWaalsContact C-N 3.26Å; L372-I374 HydrophobicContact CB-CD1 3.9Å; L372-I374 HydrophobicContact CB-CG1 3.94Å; L372-I374 HydrophobicContact CD1-CD1 4.15Å; L372-I374 PolarHBondContact O-N 2.87Å; L372-V385 HydrophobicContact CD1-CG2 4.19Å
373	G	89.3	Confident	90.7	Very high	43 Å²	43	57.2 Å²	57.2	44%	0.443	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	21.2	-178.4	0	0	0	0	0	114.2	K339 M370 D371	K339-G373 PolarHBondContact NZ-O 3.39Å; M370-G373 PolarHBondContact O-N 2.84Å; D371-G373 PolarHBondContact O-N 2.83Å
374	I	90.9	Very high	90.8	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.031	31%	0.311	C	S	.	.			trans	-98.9	121.5	-179.8	-50.9	172.3	0	0	0	108.9	L336 L341 Y369 L372 I376	L336-I374 HydrophobicContact CB-CD1 4.1Å; L336-I374 HydrophobicContact CD2-CD1 3.86Å; L336-I374 HydrophobicContact CG-CD1 3.99Å; L336-I374 WeakPolarHBondContact O-CG2 3.4Å; L341-I374 HydrophobicContact CD1-CD1 4.17Å; Y369-I374 HydrophobicContact CD1-CB 4.12Å; Y369-I374 HydrophobicContact CD1-CG2 4.38Å; Y369-I374 WeakPolarHBondContact CD1-O 3.28Å; Y369-I374 HydrophobicContact CE1-CB 3.75Å; Y369-I374 HydrophobicContact CE1-CG2 3.52Å; Y369-I374 WeakPolarHBondContact CE1-O 3.34Å; Y369-I374 HydrophobicContact CE2-CG2 4.41Å; Y369-I374 WeakPolarHBondContact OH-CG2 3.4Å; L372-I374 VanDerWaalsContact C-N 3.26Å; L372-I374 HydrophobicContact CB-CD1 3.9Å; L372-I374 HydrophobicContact CB-CG1 3.94Å; L372-I374 HydrophobicContact CD1-CD1 4.15Å; L372-I374 PolarHBondContact O-N 2.87Å; I374-I376 PolarHBondContact O-N 3.21Å
375	P	87.8	Confident	90.8	Very high	68 Å²	68	54.4 Å²	54.4	44%	0.442	30%	0.301	S	S	.	.			trans	-66.1	132.1	-177.2	25.9	-33.6	0	0	0	111.5	L377	P375-L377 VanDerWaalsContact C-N 3.27Å; P375-L377 HydrophobicContact CB-CD2 4.28Å; P375-L377 HydrophobicContact CB-CG 4.4Å; P375-L377 HydrophobicContact CG-CD2 4.47Å; P375-L377 HydrophobicContact CG-CG 4.32Å; P375-L377 PolarHBondContact O-N 2.92Å
376	I	87.8	Confident	90.8	Very high	66 Å²	66	56.9 Å²	56.9	34%	0.338	31%	0.312	S	S	.	.			trans	-74.7	80.7	177.9	-58.6	161.5	0	0	0	110	K366 Y369 M370 I374 N378 A381	K366-I376 HydrophobicContact CD-CD1 4.37Å; K366-I376 VanDerWaalsContact CE-CD1 3.45Å; K366-I376 HydrophobicContact CG-CD1 3.92Å; Y369-I376 HydrophobicContact CD1-CG1 3.73Å; Y369-I376 HydrophobicContact CE1-CG1 4.15Å; M370-I376 HydrophobicContact CG-CD1 3.29Å; M370-I376 HydrophobicContact CG-CG1 4.07Å; M370-I376 HydrophobicContact SD-CD1 3.57Å; M370-I376 VanDerWaalsContact SD-CD1 3.57Å; I374-I376 PolarHBondContact O-N 3.21Å; I376-N378 VanDerWaalsContact C-N 3.28Å; I376-N378 WeakPolarHBondContact CG2-O 3.44Å; I376-N378 PolarHBondContact O-N 2.92Å; I376-A381 HydrophobicContact CG1-CB 4.36Å; I376-A381 HydrophobicContact CG2-CB 3.88Å
377	L	82.2	Confident	90.8	Very high	115 Å²	115	55 Å²	55	60%	0.602	31%	0.309	S	S	*	.			trans	-75.4	-15.9	177.5	-60	178.9	0	0	0	113.1	Y338 P375	Y338-L377 HydrophobicContact CD2-CD1 4.17Å; Y338-L377 HydrophobicContact CE2-CD1 4.29Å; P375-L377 VanDerWaalsContact C-N 3.27Å; P375-L377 HydrophobicContact CB-CD2 4.28Å; P375-L377 HydrophobicContact CB-CG 4.4Å; P375-L377 HydrophobicContact CG-CD2 4.47Å; P375-L377 HydrophobicContact CG-CG 4.32Å; P375-L377 PolarHBondContact O-N 2.92Å
378	N	83.1	Confident	90.8	Very high	75 Å²	75	51.3 Å²	51.3	40%	0.401	29%	0.294	S	S	.	.	S	Bend	trans	-150.7	158.7	179.5	64.5	68.3	0	0	0	113.1	I376 A380 A381	I376-N378 VanDerWaalsContact C-N 3.28Å; I376-N378 WeakPolarHBondContact CG2-O 3.44Å; I376-N378 PolarHBondContact O-N 2.92Å; N378-A380 PolarHBondContact O-N 2.56Å; N378-A380 VanDerWaalsContact OD1-CA 3.32Å; N378-A380 WeakPolarHBondContact OD1-CA 3.5Å; N378-A380 WeakPolarHBondContact OD1-CB 3.36Å; N378-A380 PolarHBondContact OD1-N 3.22Å; N378-A381 WeakPolarHBondContact O-CB 3.45Å; N378-A381 PolarHBondContact O-N 2.76Å; N378-A381 PolarHBondContact OD1-N 2.73Å; N378-A381 VanDerWaalsContact OD1-N 3.13Å
379	S	85.6	Confident	90.8	Very high	125 Å²	125	51.1 Å²	51.1	87%	0.874	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-4.2	178	53.6	0	0	0	0	114.8
380	A	89.8	Confident	90.7	Very high	40 Å²	40	57.2 Å²	57.2	33%	0.331	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.8	174.2	0	0	0	0	0	113	N378 S382 Y383 N384	N378-A380 PolarHBondContact O-N 2.56Å; N378-A380 VanDerWaalsContact OD1-CA 3.32Å; N378-A380 WeakPolarHBondContact OD1-CA 3.5Å; N378-A380 WeakPolarHBondContact OD1-CB 3.36Å; N378-A380 PolarHBondContact OD1-N 3.22Å; A380-S382 VanDerWaalsContact C-N 3.34Å; A380-S382 PolarHBondContact O-N 3.02Å; A380-Y383 CarbonylContact O-C 3.5Å; A380-Y383 WeakPolarHBondContact O-CA 3.5Å; A380-Y383 WeakPolarHBondContact O-CB 3.26Å; A380-Y383 PolarHBondContact O-N 2.82Å; A380-N384 PolarHBondContact O-N 2.97Å; A380-N384 PolarHBondContact O-ND2 2.8Å
381	A	91.3	Very high	90.6	Very high	2 Å²	2	59 Å²	59	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-45.4	-52.3	178.9	0	0	0	0	0	113.5	Y369 I376 N378 Y383 N384 V385	Y369-A381 HydrophobicContact CD1-CB 3.78Å; Y369-A381 HydrophobicContact CD2-CB 3.75Å; Y369-A381 WeakPolarHBondContact CD2-O 3.37Å; Y369-A381 HydrophobicContact CE1-CB 3.75Å; Y369-A381 HydrophobicContact CE2-CB 3.76Å; Y369-A381 WeakPolarHBondContact CE2-O 3.43Å; Y369-A381 HydrophobicContact CG-CB 3.77Å; I376-A381 HydrophobicContact CG1-CB 4.36Å; I376-A381 HydrophobicContact CG2-CB 3.88Å; N378-A381 WeakPolarHBondContact O-CB 3.45Å; N378-A381 PolarHBondContact O-N 2.76Å; N378-A381 PolarHBondContact OD1-N 2.73Å; N378-A381 VanDerWaalsContact OD1-N 3.13Å; A381-Y383 PolarHBondContact O-N 3.48Å; A381-N384 PolarHBondContact O-N 3.19Å; A381-N384 VanDerWaalsContact O-N 3.11Å; A381-V385 PolarHBondContact O-N 3.3Å
382	S	92.1	Very high	90.6	Very high	28 Å²	28	58 Å²	58	20%	0.196	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-38.7	177.5	51.5	0	0	0	0	113.7	G362 A380 V385 K386	G362-S382 VanDerWaalsContact O-CB 3.23Å; G362-S382 WeakPolarHBondContact O-CB 3.34Å; A380-S382 VanDerWaalsContact C-N 3.34Å; A380-S382 PolarHBondContact O-N 3.02Å; S382-V385 WeakPolarHBondContact O-CG1 3.34Å; S382-K386 WeakPolarHBondContact O-CB 3.39Å; S382-K386 PolarHBondContact O-N 2.92Å
383	Y	92.7	Very high	90.6	Very high	153 Å²	153	57 Å²	57	60%	0.6	31%	0.308	S	S	*	.	H	α-helix	trans	-66.5	-39.4	173.3	176.5	-88.8	0	0	0	111.5	A380 A381 K386 T387	A380-Y383 CarbonylContact O-C 3.5Å; A380-Y383 WeakPolarHBondContact O-CA 3.5Å; A380-Y383 WeakPolarHBondContact O-CB 3.26Å; A380-Y383 PolarHBondContact O-N 2.82Å; A381-Y383 PolarHBondContact O-N 3.48Å; Y383-K386 PolarHBondContact O-N 3.38Å; Y383-T387 VanDerWaalsContact CE1-OG1 3.28Å; Y383-T387 WeakPolarHBondContact CE1-OG1 3.47Å; Y383-T387 VanDerWaalsContact O-CB 3.28Å; Y383-T387 WeakPolarHBondContact O-CB 3.01Å; Y383-T387 PolarHBondContact O-N 2.82Å; Y383-T387 PolarHBondContact O-OG1 3.23Å
384	N	93.1	Very high	90.7	Very high	53 Å²	53	58.2 Å²	58.2	28%	0.283	30%	0.3	S	S	.	.	H	α-helix	trans	-68.4	-43.8	-177.9	-62.1	-26.9	0	0	0	111.3	L336 A380 A381 T387 A388	L336-N384 HydrophobicContact CD1-CB 3.75Å; A380-N384 PolarHBondContact O-N 2.97Å; A380-N384 PolarHBondContact O-ND2 2.8Å; A381-N384 PolarHBondContact O-N 3.19Å; A381-N384 VanDerWaalsContact O-N 3.11Å; N384-T387 PolarHBondContact O-N 2.83Å; N384-A388 WeakPolarHBondContact O-CB 3.4Å; N384-A388 PolarHBondContact O-N 2.97Å
385	V	94.6	Very high	90.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-68.2	-40.3	173.3	60.7	0	0	0	0	112.3	L336 L346 W365 I368 Y369 L372 A381 S382 T387 A388 Y389	L336-V385 HydrophobicContact CD2-CB 3.98Å; L336-V385 HydrophobicContact CD2-CG2 4.38Å; L346-V385 HydrophobicContact CD1-CG2 3.45Å; L346-V385 VanDerWaalsContact CD1-CG2 3.45Å; L346-V385 HydrophobicContact CD2-CG2 4.15Å; L346-V385 HydrophobicContact CG-CG2 4.48Å; W365-V385 HydrophobicContact CB-CG1 4.4Å; W365-V385 HydrophobicContact CE3-CG1 4.11Å; W365-V385 HydrophobicContact CE3-CG2 4.46Å; W365-V385 WeakPolarHBondContact O-CG1 3.19Å; I368-V385 HydrophobicContact CG2-CG2 4.36Å; Y369-V385 HydrophobicContact CD2-CB 3.96Å; Y369-V385 HydrophobicContact CD2-CG1 3.97Å; L372-V385 HydrophobicContact CD1-CG2 4.19Å; A381-V385 PolarHBondContact O-N 3.3Å; S382-V385 WeakPolarHBondContact O-CG1 3.34Å; V385-T387 PolarHBondContact O-N 2.82Å; V385-A388 PolarHBondContact O-N 2.94Å; V385-Y389 WeakPolarHBondContact O-CB 3.47Å; V385-Y389 PolarHBondContact O-N 3.07Å
386	K	93.9	Very high	90.8	Very high	55 Å²	55	54.9 Å²	54.9	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-35.3	173.7	-168.8	167.5	-164.9	159.7	0	111.9	I359 W365 S382 Y383 R390	I359-K386 PolarHBondContact O-NZ 3.44Å; W365-K386 HydrophobicContact CD2-CB 3.71Å; W365-K386 HydrophobicContact CD2-CD 4.06Å; W365-K386 HydrophobicContact CD2-CG 3.91Å; W365-K386 HydrophobicContact CE3-CB 3.87Å; W365-K386 HydrophobicContact CE3-CG 4.31Å; W365-K386 HydrophobicContact CG-CB 4.12Å; W365-K386 HydrophobicContact CG-CD 4.18Å; W365-K386 HydrophobicContact CG-CG 4.43Å; W365-K386 HydrophobicContact CH2-CG 4.25Å; W365-K386 HydrophobicContact CZ2-CB 4.45Å; W365-K386 HydrophobicContact CZ2-CD 4.12Å; W365-K386 HydrophobicContact CZ2-CG 3.84Å; W365-K386 HydrophobicContact CZ3-CB 4.29Å; W365-K386 HydrophobicContact CZ3-CG 4.46Å; S382-K386 WeakPolarHBondContact O-CB 3.39Å; S382-K386 PolarHBondContact O-N 2.92Å; Y383-K386 PolarHBondContact O-N 3.38Å; K386-R390 WeakPolarHBondContact O-CB 3.32Å; K386-R390 WeakPolarHBondContact O-CG 3.38Å; K386-R390 PolarHBondContact O-N 3.33Å
387	T	93.2	Very high	91	Very high	62 Å²	62	52 Å²	52	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-71.6	-42.6	175.2	-58.4	0	0	0	0	112	Y383 N384 V385 R390 K391	Y383-T387 VanDerWaalsContact CE1-OG1 3.28Å; Y383-T387 WeakPolarHBondContact CE1-OG1 3.47Å; Y383-T387 VanDerWaalsContact O-CB 3.28Å; Y383-T387 WeakPolarHBondContact O-CB 3.01Å; Y383-T387 PolarHBondContact O-N 2.82Å; Y383-T387 PolarHBondContact O-OG1 3.23Å; N384-T387 PolarHBondContact O-N 2.83Å; V385-T387 PolarHBondContact O-N 2.82Å; T387-R390 PolarHBondContact O-N 2.88Å; T387-K391 WeakPolarHBondContact O-CB 3.46Å; T387-K391 PolarHBondContact O-N 2.87Å
388	A	93.8	Very high	91.3	Very high	14 Å²	14	46.8 Å²	46.8	12%	0.116	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-47.4	174.6	0	0	0	0	0	110.9	L341 N384 V385 R390 K391 Y392	L341-A388 HydrophobicContact CD2-CB 3.73Å; N384-A388 WeakPolarHBondContact O-CB 3.4Å; N384-A388 PolarHBondContact O-N 2.97Å; V385-A388 PolarHBondContact O-N 2.94Å; A388-R390 PolarHBondContact O-N 3.03Å; A388-K391 PolarHBondContact O-N 2.99Å; A388-K391 VanDerWaalsContact O-N 3.14Å; A388-Y392 VanDerWaalsContact O-CD2 3.3Å; A388-Y392 WeakPolarHBondContact O-CD2 3.41Å; A388-Y392 PolarHBondContact O-N 2.83Å
389	Y	94.6	Very high	91.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-56.3	-50.8	175.5	-162.4	-79.2	0	0	0	111.7	L346 F347 V350 C356 W365 V385 K391 Y392 L393 Y394 E397	L346-Y389 HydrophobicContact CD1-CD2 3.91Å; L346-Y389 HydrophobicContact CD2-CD2 4.07Å; L346-Y389 HydrophobicContact CG-CD2 3.76Å; L346-Y389 HydrophobicContact CG-CE2 4.32Å; F347-Y389 HydrophobicContact CD2-CE2 4.4Å; F347-Y389 VanDerWaalsContact CD2-OH 3.23Å; F347-Y389 WeakPolarHBondContact CD2-OH 3.34Å; F347-Y389 WeakPolarHBondContact CE2-OH 3.49Å; V350-Y389 HydrophobicContact CB-CD2 4Å; V350-Y389 HydrophobicContact CB-CE2 3.42Å; V350-Y389 VanDerWaalsContact CB-CE2 3.42Å; V350-Y389 HydrophobicContact CG1-CD2 4.17Å; V350-Y389 HydrophobicContact CG1-CE1 4.07Å; V350-Y389 HydrophobicContact CG1-CE2 3.56Å; V350-Y389 HydrophobicContact CG2-CD2 3.56Å; V350-Y389 HydrophobicContact CG2-CE2 3.54Å; V350-Y389 HydrophobicContact CG2-CG 4.36Å; C356-Y389 HydrophobicContact CB-CD1 3.88Å; C356-Y389 HydrophobicContact CB-CE1 3.59Å; W365-Y389 HydrophobicContact CH2-CD1 4.29Å; W365-Y389 HydrophobicContact CH2-CD2 4.43Å; W365-Y389 AromaticContact CH2-CG 3.95Å; W365-Y389 HydrophobicContact CH2-CG 3.95Å; W365-Y389 HydrophobicContact CZ3-CD2 4.36Å; W365-Y389 HydrophobicContact CZ3-CG 4.11Å; V385-Y389 WeakPolarHBondContact O-CB 3.47Å; V385-Y389 PolarHBondContact O-N 3.07Å; Y389-K391 PolarHBondContact O-N 2.97Å; Y389-Y392 PolarHBondContact O-N 3.21Å; Y389-L393 HydrophobicContact CD1-CB 4.05Å; Y389-L393 HydrophobicContact CD2-CB 3.92Å; Y389-L393 HydrophobicContact CD2-CD1 3.61Å; Y389-L393 HydrophobicContact CD2-CG 4.38Å; Y389-L393 HydrophobicContact CE1-CB 3.84Å; Y389-L393 HydrophobicContact CE2-CB 3.74Å; Y389-L393 HydrophobicContact CE2-CD1 3.57Å; Y389-L393 HydrophobicContact CE2-CG 4.32Å; Y389-L393 HydrophobicContact CG-CB 4.07Å; Y389-L393 HydrophobicContact CG-CD1 4.42Å; Y389-L393 CarbonylContact O-C 3.49Å; Y389-L393 WeakPolarHBondContact O-CA 3.46Å; Y389-L393 PolarHBondContact O-N 3.45Å; Y389-Y394 PolarHBondContact O-N 2.55Å; Y389-E397 VanDerWaalsContact CE1-OE2 3.31Å; Y389-E397 WeakPolarHBondContact CE1-OE2 3.3Å; Y389-E397 PolarHBondContact OH-OE2 3.44Å
390	R	91.5	Very high	91.8	Very high	131 Å²	131	37.6 Å²	37.6	49%	0.494	18%	0.178	S	C	.	.	I	π-helix	trans	-65.7	-24	179.1	-76.4	-170.6	166.7	-140.7	-9.4	114.2	K386 T387 A388 Y394	K386-R390 WeakPolarHBondContact O-CB 3.32Å; K386-R390 WeakPolarHBondContact O-CG 3.38Å; K386-R390 PolarHBondContact O-N 3.33Å; T387-R390 PolarHBondContact O-N 2.88Å; A388-R390 PolarHBondContact O-N 3.03Å; R390-Y394 HydrophobicContact CG-CG 4.49Å
391	K	91.1	Very high	91.7	Very high	126 Å²	126	40.8 Å²	40.8	55%	0.548	18%	0.182	S	C	.	.	I	π-helix	trans	-80.2	-45.7	175.9	-177.7	-177.8	170.6	-161.2	0	112.9	T387 A388 Y389	T387-K391 WeakPolarHBondContact O-CB 3.46Å; T387-K391 PolarHBondContact O-N 2.87Å; A388-K391 PolarHBondContact O-N 2.99Å; A388-K391 VanDerWaalsContact O-N 3.14Å; Y389-K391 PolarHBondContact O-N 2.97Å
392	Y	92.1	Very high	91.5	Very high	35 Å²	35	41 Å²	41	14%	0.137	18%	0.183	C	C	.	.	I	π-helix	trans	-102.8	-41.6	-170.1	-64.2	-78.6	0	0	0	113.3	M323 I330 P334 A388 Y389	M323-Y392 HydrophobicContact CE-CD1 3.66Å; M323-Y392 HydrophobicContact CE-CE1 4.33Å; M323-Y392 HydrophobicContact SD-CD1 3.95Å; M323-Y392 VanDerWaalsContact SD-O 3.33Å; I330-Y392 HydrophobicContact CD1-CD1 3.83Å; I330-Y392 HydrophobicContact CD1-CE1 4.35Å; I330-Y392 HydrophobicContact CG1-CD1 3.98Å; I330-Y392 HydrophobicContact CG1-CE1 4.15Å; P334-Y392 HydrophobicContact CB-CD2 4.1Å; P334-Y392 HydrophobicContact CB-CE1 4.24Å; P334-Y392 HydrophobicContact CB-CE2 3.57Å; P334-Y392 HydrophobicContact CG-CD1 3.89Å; P334-Y392 HydrophobicContact CG-CD2 4.07Å; P334-Y392 HydrophobicContact CG-CE1 3.55Å; P334-Y392 HydrophobicContact CG-CE2 3.77Å; P334-Y392 HydrophobicContact CG-CG 4.13Å; P334-Y392 VanDerWaalsContact CG-CZ 3.48Å; A388-Y392 VanDerWaalsContact O-CD2 3.3Å; A388-Y392 WeakPolarHBondContact O-CD2 3.41Å; A388-Y392 PolarHBondContact O-N 2.83Å; Y389-Y392 PolarHBondContact O-N 3.21Å
393	L	92.7	Very high	91.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	17%	0.174	C	C	.	.	I	π-helix	trans	-105.7	-34.8	-164.8	-66.4	175.6	0	0	0	114.4	F315 L319 L343 L346 F347 Y389 G395 F396 E397	F315-L393 HydrophobicContact CE1-CD2 4.47Å; F315-L393 HydrophobicContact CZ-CD2 3.8Å; L319-L393 HydrophobicContact CD1-CD2 4.07Å; L319-L393 HydrophobicContact CD2-CD2 3.58Å; L343-L393 HydrophobicContact CB-CD2 4.35Å; L343-L393 HydrophobicContact CD2-CD1 4.32Å; L343-L393 HydrophobicContact CD2-CD2 4.45Å; L343-L393 HydrophobicContact CD2-CG 4.3Å; L346-L393 HydrophobicContact CB-CD1 4.11Å; L346-L393 HydrophobicContact CD2-CD1 3.68Å; L346-L393 HydrophobicContact CG-CD1 3.64Å; F347-L393 HydrophobicContact CB-CD1 4.11Å; F347-L393 HydrophobicContact CB-CD2 4.37Å; F347-L393 HydrophobicContact CD2-CB 4.46Å; F347-L393 HydrophobicContact CD2-CD2 4.37Å; Y389-L393 HydrophobicContact CD1-CB 4.05Å; Y389-L393 HydrophobicContact CD2-CB 3.92Å; Y389-L393 HydrophobicContact CD2-CD1 3.61Å; Y389-L393 HydrophobicContact CD2-CG 4.38Å; Y389-L393 HydrophobicContact CE1-CB 3.84Å; Y389-L393 HydrophobicContact CE2-CB 3.74Å; Y389-L393 HydrophobicContact CE2-CD1 3.57Å; Y389-L393 HydrophobicContact CE2-CG 4.32Å; Y389-L393 HydrophobicContact CG-CB 4.07Å; Y389-L393 HydrophobicContact CG-CD1 4.42Å; Y389-L393 CarbonylContact O-C 3.49Å; Y389-L393 WeakPolarHBondContact O-CA 3.46Å; Y389-L393 PolarHBondContact O-N 3.45Å; L393-G395 PolarHBondContact O-N 3.05Å; L393-F396 CarbonylContact O-C 3.53Å; L393-F396 WeakPolarHBondContact O-CA 3.47Å; L393-F396 WeakPolarHBondContact O-CB 3.33Å; L393-F396 PolarHBondContact O-N 3.24Å; L393-E397 PolarHBondContact O-N 2.98Å
394	Y	91.1	Very high	90.9	Very high	68 Å²	68	36.1 Å²	36.1	27%	0.267	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-43.3	-172.5	174.6	-102.9	0	0	0	114.3	C356 D357 Y389 R390 F396 E397 E398	C356-Y394 HydrophobicContact CB-CD2 4.04Å; D357-Y394 WeakPolarHBondContact OD1-CE2 3.38Å; Y389-Y394 PolarHBondContact O-N 2.55Å; R390-Y394 HydrophobicContact CG-CG 4.49Å; Y394-F396 PolarHBondContact O-N 2.94Å; Y394-E397 WeakPolarHBondContact O-CB 3.45Å; Y394-E397 PolarHBondContact O-N 2.89Å; Y394-E398 WeakPolarHBondContact O-CB 3.4Å; Y394-E398 PolarHBondContact O-N 2.92Å
395	G	89.9	Confident	90.6	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-25.8	175.3	0	0	0	0	0	113.3	F322 L393 Y399	F322-G395 VanDerWaalsContact CE1-C 3.48Å; F322-G395 WeakPolarHBondContact CZ-O 3.31Å; L393-G395 PolarHBondContact O-N 3.05Å; G395-Y399 WeakPolarHBondContact O-CB 3.12Å; G395-Y399 PolarHBondContact O-N 3.16Å
396	F	91.8	Very high	89.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-82.3	-36.3	175.3	-173.8	-104.6	0	0	0	111.9	F315 Q318 L319 F322 L393 Y394 E398 Y399 C400 F407	F315-F396 AromaticContact CD2-CE1 3.75Å; F315-F396 HydrophobicContact CD2-CE1 3.75Å; F315-F396 AromaticContact CE2-CD1 3.85Å; F315-F396 HydrophobicContact CE2-CD1 3.85Å; F315-F396 AromaticContact CE2-CE1 3.5Å; F315-F396 HydrophobicContact CE2-CE1 3.5Å; F315-F396 VanDerWaalsContact CE2-CE1 3.5Å; F315-F396 HydrophobicContact CZ-CD1 4.38Å; F315-F396 HydrophobicContact CZ-CE1 4.31Å; Q318-F396 HydrophobicContact CB-CE2 3.86Å; Q318-F396 HydrophobicContact CB-CZ 3.62Å; L319-F396 HydrophobicContact CB-CD1 4.45Å; L319-F396 HydrophobicContact CB-CE1 4.37Å; L319-F396 HydrophobicContact CB-CE2 4.46Å; L319-F396 HydrophobicContact CB-CZ 4.37Å; L319-F396 HydrophobicContact CD1-CB 3.62Å; L319-F396 HydrophobicContact CD1-CD1 3.94Å; L319-F396 HydrophobicContact CD1-CD2 4.1Å; L319-F396 HydrophobicContact CD1-CG 3.61Å; F322-F396 HydrophobicContact CB-CD2 3.75Å; F322-F396 HydrophobicContact CB-CE2 4.1Å; F322-F396 HydrophobicContact CD1-CB 3.88Å; F322-F396 AromaticContact CD1-CD2 3.75Å; F322-F396 HydrophobicContact CD1-CD2 3.75Å; F322-F396 HydrophobicContact CD1-CG 4.3Å; F322-F396 HydrophobicContact CD2-CD2 4.44Å; F322-F396 HydrophobicContact CE1-CB 3.97Å; F322-F396 HydrophobicContact CE1-CD2 4.47Å; F322-F396 AromaticContact CG-CD2 3.72Å; F322-F396 HydrophobicContact CG-CD2 3.72Å; F322-F396 HydrophobicContact CG-CE2 4.48Å; L393-F396 CarbonylContact O-C 3.53Å; L393-F396 WeakPolarHBondContact O-CA 3.47Å; L393-F396 WeakPolarHBondContact O-CB 3.33Å; L393-F396 PolarHBondContact O-N 3.24Å; Y394-F396 PolarHBondContact O-N 2.94Å; F396-E398 VanDerWaalsContact C-N 3.31Å; F396-E398 PolarHBondContact O-N 2.92Å; F396-Y399 HydrophobicContact CD2-CD1 4.06Å; F396-Y399 AromaticContact CE2-CD1 3.99Å; F396-Y399 HydrophobicContact CE2-CD1 3.99Å; F396-Y399 HydrophobicContact CE2-CE1 4.45Å; F396-Y399 PolarHBondContact O-N 2.81Å; F396-C400 VanDerWaalsContact CE1-SG 3.52Å; F396-C400 VanDerWaalsContact CZ-SG 3.53Å; F396-C400 PolarHBondContact O-N 3.3Å; F396-C400 PolarHBondContact O-SG 2.99Å; F396-C400 VanDerWaalsContact O-SG 3.35Å; F396-F407 HydrophobicContact CE1-CE2 4.04Å; F396-F407 HydrophobicContact CE1-CZ 4.16Å; F396-F407 HydrophobicContact CZ-CE2 4.38Å; F396-F407 HydrophobicContact CZ-CZ 4.18Å
397	E	90.8	Very high	89	Confident	6 Å²	6	38.8 Å²	38.8	3%	0.028	18%	0.177	C	C	.	.	H	α-helix	trans	-54.4	-50.3	169.1	-167.4	-166.9	154.5	0	0	110	F347 G355 C356 Y389 L393 Y394 C400 R401	F347-E397 HydrophobicContact CE2-CB 3.89Å; F347-E397 HydrophobicContact CE2-CG 4.05Å; G355-E397 WeakPolarHBondContact CA-OE1 3.47Å; C356-E397 WeakPolarHBondContact CB-OE2 3.41Å; C356-E397 PolarHBondContact N-OE1 3.08Å; C356-E397 VanDerWaalsContact N-OE1 3.12Å; C356-E397 PolarHBondContact N-OE2 2.92Å; C356-E397 VanDerWaalsContact N-OE2 3.1Å; Y389-E397 VanDerWaalsContact CE1-OE2 3.31Å; Y389-E397 WeakPolarHBondContact CE1-OE2 3.3Å; Y389-E397 PolarHBondContact OH-OE2 3.44Å; L393-E397 PolarHBondContact O-N 2.98Å; Y394-E397 WeakPolarHBondContact O-CB 3.45Å; Y394-E397 PolarHBondContact O-N 2.89Å; E397-C400 PolarHBondContact O-N 3.43Å; E397-R401 WeakPolarHBondContact O-CB 3.38Å; E397-R401 PolarHBondContact O-N 2.76Å; E397-R401 IonicContact OE1-CZ 3.98Å; E397-R401 IonicContact OE1-NH2 2.89Å; E397-R401 PolarHBondContact OE1-NH2 3.26Å
398	E	88.7	Confident	87.9	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-34.6	178.3	-177.3	52.6	-148.4	0	0	112.8	L170 S197 S199 Y394 F396 R401 S402	L170-E398 WeakPolarHBondContact CD2-OE1 3.42Å; S197-E398 WeakPolarHBondContact CB-OE1 3.39Å; S197-E398 PolarHBondContact OG-OE1 2.92Å; S199-E398 VanDerWaalsContact OG-CG 3.31Å; S199-E398 WeakPolarHBondContact OG-CG 3.37Å; Y394-E398 WeakPolarHBondContact O-CB 3.4Å; Y394-E398 PolarHBondContact O-N 2.92Å; F396-E398 VanDerWaalsContact C-N 3.31Å; F396-E398 PolarHBondContact O-N 2.92Å; E398-R401 WeakPolarHBondContact OE2-CD 3.31Å; E398-R401 IonicContact OE2-CZ 2.68Å; E398-R401 IonicContact OE2-NE 2.88Å; E398-R401 IonicContact OE2-NH1 3.85Å; E398-R401 PolarHBondContact OE2-NH1 2.6Å; E398-S402 VanDerWaalsContact O-CB 3.29Å; E398-S402 WeakPolarHBondContact O-CB 3.47Å; E398-S402 PolarHBondContact O-N 3.41Å; E398-S402 PolarHBondContact O-OG 2.88Å
399	Y	89.9	Confident	86.4	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-50.2	169.8	173.6	-106.3	0	0	0	111.7	I196 C200 R214 F221 W264 F322 G395 F396 R401 S402 A403 I405	I196-Y399 HydrophobicContact CD1-CD2 4.19Å; I196-Y399 HydrophobicContact CD1-CE2 4.29Å; I196-Y399 HydrophobicContact CG2-CD2 4.24Å; I196-Y399 HydrophobicContact CG2-CE2 4Å; C200-Y399 WeakPolarHBondContact SG-CA 3.36Å; R214-Y399 PolarHBondContact NH1-OH 2.94Å; F221-Y399 HydrophobicContact CE1-CE2 4.4Å; W264-Y399 WeakPolarHBondContact CZ3-OH 3.4Å; F322-Y399 HydrophobicContact CD2-CD1 4.13Å; F322-Y399 HydrophobicContact CD2-CD2 4.27Å; F322-Y399 AromaticContact CD2-CG 3.91Å; F322-Y399 HydrophobicContact CD2-CG 3.91Å; F322-Y399 HydrophobicContact CE2-CD1 4.49Å; F322-Y399 HydrophobicContact CE2-CD2 4.11Å; F322-Y399 AromaticContact CE2-CG 3.84Å; F322-Y399 HydrophobicContact CE2-CG 3.84Å; G395-Y399 WeakPolarHBondContact O-CB 3.12Å; G395-Y399 PolarHBondContact O-N 3.16Å; F396-Y399 HydrophobicContact CD2-CD1 4.06Å; F396-Y399 AromaticContact CE2-CD1 3.99Å; F396-Y399 HydrophobicContact CE2-CD1 3.99Å; F396-Y399 HydrophobicContact CE2-CE1 4.45Å; F396-Y399 PolarHBondContact O-N 2.81Å; Y399-R401 PolarHBondContact O-N 2.7Å; Y399-S402 PolarHBondContact O-N 3.42Å; Y399-S402 PolarHBondContact O-OG 3.1Å; Y399-A403 HydrophobicContact CE2-CB 4.27Å; Y399-A403 WeakPolarHBondContact O-CB 3.49Å; Y399-A403 PolarHBondContact O-N 3.01Å; Y399-I405 HydrophobicContact CD1-CD1 4.26Å; Y399-I405 HydrophobicContact CE1-CD1 3.49Å; Y399-I405 VanDerWaalsContact CE1-CD1 3.49Å
400	C	89.9	Confident	84.8	Confident	6 Å²	6	45.2 Å²	45.2	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-41.5	179.6	-66.9	0	0	0	0	112.2	F396 E397 A403 N404 I405	F396-C400 VanDerWaalsContact CE1-SG 3.52Å; F396-C400 VanDerWaalsContact CZ-SG 3.53Å; F396-C400 PolarHBondContact O-N 3.3Å; F396-C400 PolarHBondContact O-SG 2.99Å; F396-C400 VanDerWaalsContact O-SG 3.35Å; E397-C400 PolarHBondContact O-N 3.43Å; C400-A403 PolarHBondContact O-N 3.29Å; C400-N404 WeakPolarHBondContact O-CA 3.34Å; C400-N404 PolarHBondContact O-N 3.5Å; C400-I405 HydrophobicContact CB-CB 4.19Å; C400-I405 PolarHBondContact O-N 2.88Å
401	R	87.3	Confident	82.7	Confident	106 Å²	106	43 Å²	43	40%	0.4	19%	0.189	S	C	.	.	H	α-helix	trans	-55.4	-51.2	173.6	-172.2	-170.2	-65	173.1	-13.1	111.1	D357 E397 E398 Y399	D357-R401 IonicContact OD2-CZ 2.8Å; D357-R401 IonicContact OD2-NH1 2.76Å; D357-R401 PolarHBondContact OD2-NH1 3.25Å; D357-R401 IonicContact OD2-NH2 3.36Å; D357-R401 PolarHBondContact OD2-NH2 3.26Å; E397-R401 WeakPolarHBondContact O-CB 3.38Å; E397-R401 PolarHBondContact O-N 2.76Å; E397-R401 IonicContact OE1-CZ 3.98Å; E397-R401 IonicContact OE1-NH2 2.89Å; E397-R401 PolarHBondContact OE1-NH2 3.26Å; E398-R401 WeakPolarHBondContact OE2-CD 3.31Å; E398-R401 IonicContact OE2-CZ 2.68Å; E398-R401 IonicContact OE2-NE 2.88Å; E398-R401 IonicContact OE2-NH1 3.85Å; E398-R401 PolarHBondContact OE2-NH1 2.6Å; Y399-R401 PolarHBondContact O-N 2.7Å
402	S	87.7	Confident	80.4	Confident	8 Å²	8	42.4 Å²	42.4	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-82.7	-17.8	-177.4	65.2	0	0	0	0	115.4	G176 S197 E398 Y399	G176-S402 WeakPolarHBondContact CA-O 3.29Å; G176-S402 PolarHBondContact N-O 3.46Å; S197-S402 VanDerWaalsContact CB-CB 3.47Å; S197-S402 WeakPolarHBondContact CB-OG 3.48Å; S197-S402 PolarHBondContact N-OG 3.35Å; E398-S402 VanDerWaalsContact O-CB 3.29Å; E398-S402 WeakPolarHBondContact O-CB 3.47Å; E398-S402 PolarHBondContact O-N 3.41Å; E398-S402 PolarHBondContact O-OG 2.88Å; Y399-S402 PolarHBondContact O-N 3.42Å; Y399-S402 PolarHBondContact O-OG 3.1Å
403	A	87	Confident	77.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-90.4	-6.2	172.5	0	0	0	0	0	113.4	L194 I196 Y399 C400 I405	L194-A403 HydrophobicContact CD2-CB 3.75Å; I196-A403 HydrophobicContact CG2-CB 4.35Å; Y399-A403 HydrophobicContact CE2-CB 4.27Å; Y399-A403 WeakPolarHBondContact O-CB 3.49Å; Y399-A403 PolarHBondContact O-N 3.01Å; C400-A403 PolarHBondContact O-N 3.29Å; A403-I405 VanDerWaalsContact C-N 3.27Å; A403-I405 HydrophobicContact CB-CD1 3.62Å; A403-I405 HydrophobicContact CB-CG1 3.79Å; A403-I405 PolarHBondContact O-N 3.03Å
404	N	84.4	Confident	74.8	Confident	78 Å²	78	57.6 Å²	57.6	42%	0.417	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	43.2	-166.5	-50.5	135.5	0	0	0	113.4	G176 C400	G176-N404 WeakPolarHBondContact CA-OD1 3.45Å; C400-N404 WeakPolarHBondContact O-CA 3.34Å; C400-N404 PolarHBondContact O-N 3.5Å
405	I	86.8	Confident	72.2	Confident	11 Å²	11	60 Å²	60	6%	0.056	28%	0.284	C	S	.	.			trans	-88.4	120.8	171	-63.6	163.9	0	0	0	107.3	F254 V260 Y399 C400 A403 F407	F254-I405 HydrophobicContact CE2-CG1 4.22Å; F254-I405 HydrophobicContact CZ-CG1 4.44Å; V260-I405 HydrophobicContact CG1-CD1 3.64Å; V260-I405 HydrophobicContact CG1-CG1 4.09Å; Y399-I405 HydrophobicContact CD1-CD1 4.26Å; Y399-I405 HydrophobicContact CE1-CD1 3.49Å; Y399-I405 VanDerWaalsContact CE1-CD1 3.49Å; C400-I405 HydrophobicContact CB-CB 4.19Å; C400-I405 PolarHBondContact O-N 2.88Å; A403-I405 VanDerWaalsContact C-N 3.27Å; A403-I405 HydrophobicContact CB-CD1 3.62Å; A403-I405 HydrophobicContact CB-CG1 3.79Å; A403-I405 PolarHBondContact O-N 3.03Å; I405-F407 HydrophobicContact CG2-CE2 4.22Å; I405-F407 HydrophobicContact CG2-CZ 4.23Å
406	Q	76.6	Confident	69.4	Low	140 Å²	140	68.5 Å²	68.5	65%	0.654	32%	0.32	S	S	*	.			trans	-115.5	139.4	-177.6	-72.1	-176.3	-46.4	0	0	111.4	H411	Q406-H411 PolarHBondContact NE2-NE2 3.23Å
407	F	79.2	Confident	66.5	Low	13 Å²	13	74.8 Å²	74.8	6%	0.057	36%	0.358	C	S	.	.			trans	-107.4	128.5	178.5	-72.2	-69.5	0	0	0	108.1	E311 F315 F347 F396 I405 I410 H411	E311-F407 HydrophobicContact CG-CD1 4.05Å; E311-F407 WeakPolarHBondContact OE1-CA 3.5Å; E311-F407 VanDerWaalsContact OE1-CB 3.24Å; E311-F407 WeakPolarHBondContact OE1-CB 3.4Å; F315-F407 HydrophobicContact CB-CD1 4.37Å; F315-F407 HydrophobicContact CB-CE1 3.8Å; F315-F407 HydrophobicContact CB-CZ 4.16Å; F315-F407 HydrophobicContact CD2-CD2 4.4Å; F315-F407 HydrophobicContact CD2-CE1 4.14Å; F315-F407 AromaticContact CD2-CE2 3.9Å; F315-F407 HydrophobicContact CD2-CE2 3.9Å; F315-F407 AromaticContact CD2-CZ 3.76Å; F315-F407 HydrophobicContact CD2-CZ 3.76Å; F315-F407 HydrophobicContact CG-CE1 4.49Å; F315-F407 HydrophobicContact CG-CZ 4.44Å; F347-F407 HydrophobicContact CE1-CD2 4.05Å; F347-F407 HydrophobicContact CE1-CE2 4.43Å; F396-F407 HydrophobicContact CE1-CE2 4.04Å; F396-F407 HydrophobicContact CE1-CZ 4.16Å; F396-F407 HydrophobicContact CZ-CE2 4.38Å; F396-F407 HydrophobicContact CZ-CZ 4.18Å; I405-F407 HydrophobicContact CG2-CE2 4.22Å; I405-F407 HydrophobicContact CG2-CZ 4.23Å; F407-I410 HydrophobicContact CB-CB 3.98Å; F407-I410 HydrophobicContact CB-CD1 3.73Å; F407-I410 HydrophobicContact CB-CG1 3.92Å; F407-I410 HydrophobicContact CG-CD1 4.33Å; F407-H411 PolarHBondContact O-N 2.88Å
408	R	69.9	Low	63.9	Low	183 Å²	183	83.5 Å²	83.5	69%	0.691	40%	0.396	S	S	*	.	H	α-helix	trans	-73.1	-49.6	-165.7	-60	172.9	166.9	-171.8	-5.5	111.5	E311 I410 H411 H412	E311-R408 VanDerWaalsContact CD-N 3.3Å; E311-R408 PolarHBondContact OE1-N 2.99Å; E311-R408 WeakPolarHBondContact OE2-CB 3.39Å; E311-R408 PolarHBondContact OE2-N 3.43Å; R408-I410 PolarHBondContact O-N 2.83Å; R408-H411 PolarHBondContact O-N 2.88Å; R408-H412 PolarHBondContact O-CD2 2.66Å; R408-H412 PolarHBondContact O-N 3.13Å; R408-H412 PolarHBondContact O-ND1 3.45Å
409	T	60.9	Low	61.1	Low	11 Å²	11	92.1 Å²	92.1	7%	0.067	44%	0.436	C	S	.	.	H	α-helix	trans	-63.8	-7.8	178.7	-60.8	0	0	0	0	113	D308 E311 R348	D308-T409 VanDerWaalsContact CB-OG1 3.31Å; D308-T409 WeakPolarHBondContact CB-OG1 3.38Å; E311-T409 VanDerWaalsContact CD-CB 3.49Å; E311-T409 VanDerWaalsContact CD-N 3.33Å; E311-T409 WeakPolarHBondContact OE1-CB 3.46Å; E311-T409 PolarHBondContact OE1-N 3.41Å; E311-T409 WeakPolarHBondContact OE2-CB 3.26Å; E311-T409 PolarHBondContact OE2-N 3.45Å; E311-T409 PolarHBondContact OE2-OG1 3.48Å; R348-T409 VanDerWaalsContact CZ-CG2 3.47Å; R348-T409 PolarHBondContact NE-O 2.84Å; R348-T409 VanDerWaalsContact NE-O 3.13Å
410	I	60.8	Low	58.2	Low	16 Å²	16	100.2 Å²	100.2	8%	0.082	47%	0.474	C	S	.	.	H	α-helix	trans	-102.3	-23.8	178.4	-61.4	-167.9	0	0	0	112.5	F344 F347 R348 Y351 F407 R408	F344-I410 HydrophobicContact CE2-CD1 4.41Å; F347-I410 HydrophobicContact CD1-CD1 3.4Å; F347-I410 VanDerWaalsContact CD1-CD1 3.4Å; F347-I410 HydrophobicContact CE1-CD1 3.55Å; R348-I410 HydrophobicContact CB-CD1 4.38Å; R348-I410 HydrophobicContact CB-CG1 4.36Å; R348-I410 HydrophobicContact CG-CG1 4.21Å; Y351-I410 HydrophobicContact CD1-CG2 3.13Å; Y351-I410 HydrophobicContact CD2-CG2 3.94Å; Y351-I410 HydrophobicContact CE1-CG2 3.73Å; Y351-I410 HydrophobicContact CE2-CG2 4.43Å; Y351-I410 HydrophobicContact CG-CG2 3.26Å; F407-I410 HydrophobicContact CB-CB 3.98Å; F407-I410 HydrophobicContact CB-CD1 3.73Å; F407-I410 HydrophobicContact CB-CG1 3.92Å; F407-I410 HydrophobicContact CG-CD1 4.33Å; R408-I410 PolarHBondContact O-N 2.83Å
411	H	48.4	Very low	55.5	Low	85 Å²	85	109.1 Å²	109.1	39%	0.394	51%	0.512	S	S	.	.	H	α-helix	trans	-106.3	0.1	-177.4	-91.6	-58.5	0	0	0	115.5	Y351 Q406 F407 R408 H413	Y351-H411 AromaticContact CE1-CE1 3.92Å; Y351-H411 AromaticContact CZ-CE1 3.94Å; Y351-H411 PolarHBondContact OH-CE1 3.44Å; Y351-H411 PolarHBondContact OH-NE2 3.33Å; Q406-H411 PolarHBondContact NE2-NE2 3.23Å; F407-H411 PolarHBondContact O-N 2.88Å; R408-H411 PolarHBondContact O-N 2.88Å; H411-H413 PolarHBondContact O-N 2.9Å
412	H	43.7	Very low	52.7	Low	114 Å²	114	113.4 Å²	113.4	53%	0.528	53%	0.533	S	S	.	.			trans	-68.5	88.3	-171.6	-77	-30.9	0	0	0	115.6	R408	R408-H412 PolarHBondContact O-CD2 2.66Å; R408-H412 PolarHBondContact O-N 3.13Å; R408-H412 PolarHBondContact O-ND1 3.45Å
413	H	35.4	Very low	49.9	Very low	185 Å²	185	119.9 Å²	119.9	86%	0.856	57%	0.567	S	S	*	*			trans	-121	18	153.4	-160.8	-73.1	0	0	0	112.1	H411	H411-H413 PolarHBondContact O-N 2.9Å
414	E	30.7	Very low	46.9	Very low	169 Å²	169	128.1 Å²	128.1	79%	0.79	61%	0.61	S	S	*	*	S	Bend	trans	-113.4	131.5	169	-66.9	-165.2	148	0	0	110.4
415	P	36.3	Very low	44.2	Very low	120 Å²	120	133.3 Å²	133.3	78%	0.779	63%	0.632	S	S	*	*			trans	-72.7	137.8	-178.1	29.8	-34.1	0	0	0	111	V417	P415-V417 PolarHBondContact O-N 3.41Å
416	K	32.1	Very low	41.5	Very low	180 Å²	180	141.9 Å²	141.9	78%	0.783	67%	0.672	S	S	*	*			trans	-58.6	104.5	-178.4	-62	-175.4	-174.8	-172.8	0	111.5	K418	K416-K418 PolarHBondContact O-N 2.78Å
417	V	30.9	Very low	39.1	Very low	132 Å²	132	140.1 Å²	140.1	80%	0.8	68%	0.675	S	S	*	*			trans	-64.7	125.5	157	177.8	0	0	0	0	107	P415 E419	P415-V417 PolarHBondContact O-N 3.41Å; V417-E419 PolarHBondContact O-N 3.16Å
418	K	35	Very low	36.6	Very low	190 Å²	190	146.7 Å²	146.7	83%	0.826	71%	0.708	S	S	*	*			trans	-80.3	104.6	174.3	-66.8	-177.7	179.5	-177.6	0	108.9	K416 E420	K416-K418 PolarHBondContact O-N 2.78Å; K418-E420 PolarHBondContact O-N 3.03Å
419	E	30.8	Very low	34.5	Very low	187 Å²	187	145.3 Å²	145.3	87%	0.874	71%	0.709	S	S	*	*			trans	-78.9	114.7	158.3	-72	-166.5	127.9	0	0	108.9	V417	V417-E419 PolarHBondContact O-N 3.16Å
420	E	29.4	Very low	33	Very low	171 Å²	171	152.3 Å²	152.3	80%	0.799	74%	0.741	S	S	*	*			trans	-74.9	123.1	169.9	-63.4	-176.9	153	0	0	108.6	K418 K422	K418-E420 PolarHBondContact O-N 3.03Å; E420-K422 PolarHBondContact O-N 2.84Å; E420-K422 VanDerWaalsContact O-N 3.11Å
421	K	31.7	Very low	31.3	Very low	193 Å²	193	154.8 Å²	154.8	84%	0.839	76%	0.764	S	S	*	*			trans	-61.8	116.4	171	-72.8	-173.5	177.2	-176.3	0	109.1
422	K	29.2	Very low	30.2	Very low	196 Å²	196	158.3 Å²	158.3	85%	0.852	79%	0.785	S	S	*	*			trans	-100.5	109	154.1	-81.4	-174.4	175.3	178	0	108.1	E420	E420-K422 PolarHBondContact O-N 2.84Å; E420-K422 VanDerWaalsContact O-N 3.11Å
423	D	28.9	Very low	29.5	Very low	143 Å²	143	161.2 Å²	161.2	77%	0.765	80%	0.796	S	S	*	*			trans	-65.9	131.3	163.1	-51.2	-63.9	0	0	0	108.4
424	L	24.4	Very low	29	Very low	174 Å²	174	160.3 Å²	160.3	91%	0.911	80%	0.797	S	S	*	*			trans	-145	125.1	157	-150.1	83.1	0	0	0	109.2
425	E	28.1	Very low	28.7	Very low	187 Å²	187	158.9 Å²	158.9	87%	0.874	79%	0.794	S	S	*	*			trans	-79.7	158.8	178.4	-163.4	167.3	-165.5	0	0	110.8
426	E	30.3	Very low	28.2	Very low	190 Å²	190	162.2 Å²	162.2	89%	0.888	80%	0.8	S	S	*	*			trans	-76.1	136.6	-172.1	-179.1	175.6	-154.5	0	0	112.8
427	S	25.3	Very low	28	Very low	103 Å²	103	161.5 Å²	161.5	72%	0.72	80%	0.799	S	S	*	*			trans	-156.6	118.5	166.7	-151.1	0	0	0	0	116.1
428	M	27.1	Very low	27.7	Very low	151 Å²	151	161.5 Å²	161.5	74%	0.744	79%	0.792	S	S	*	*			trans	67.9	115.6	140.4	-74.4	177.5	66.8	0	0	123.3
429	E	26.2	Very low	27.3	Very low	154 Å²	154	156.6 Å²	156.6	72%	0.72	78%	0.78	S	S	*	*				56.3	109.6	117.1	-70.7	-172.9	134.2	0	0	122.4
430	E	27.8	Very low	26.8	Very low	159 Å²	159	153.8 Å²	153.8	74%	0.743	77%	0.77	S	S	*	*				63.3	107.6	108.7	-165.9	159.8	171.5	0	0	121.3
431	A	26.8	Very low	26.6	Very low	68 Å²	68	150.5 Å²	150.5	56%	0.562	76%	0.761	S	S	*	*			trans	48	135	137.2	0	0	0	0	0	122.6
432	L	24.3	Very low	26.3	Very low	158 Å²	158	147.9 Å²	147.9	83%	0.827	75%	0.752	S	S	*	*				-121	131.8	125.4	-78.5	179.3	0	0	0	110.9
433	K	29.5	Very low	26	Very low	175 Å²	175	143 Å²	143	76%	0.761	74%	0.739	S	S	*	*			trans	-83.6	149.4	170.1	-61.9	162.8	-176.9	159.6	0	109.5
434	L	23.9	Very low	26.1	Very low	167 Å²	167	145.3 Å²	145.3	87%	0.874	74%	0.742	S	S	*	*			trans	-150.2	144.1	143.2	-154.5	69.7	0	0	0	111
435	D	25.4	Very low	26.1	Very low	139 Å²	139	142.5 Å²	142.5	74%	0.743	74%	0.737	S	S	*	*			trans	-74	154.5	-176	-41.2	-93.7	0	0	0	113.1
436	Q	26.2	Very low	26	Very low	190 Å²	190	142 Å²	142	89%	0.888	74%	0.735	S	S	*	*				-164.6	169.9	113.8	-106.2	169.7	16.1	0	0	113.8
437	E	26	Very low	26.5	Very low	164 Å²	164	138.1 Å²	138.1	77%	0.766	73%	0.726	S	S	*	*			trans	-60.6	156.2	-163.6	-64.5	174.1	88.7	0	0	116.6
438	M	26.3	Very low	26.7	Very low	133 Å²	133	141 Å²	141	66%	0.655	73%	0.728	S	S	*	*			trans	-65.8	157.7	167.3	-52	-158.2	-52.1	0	0	111.9	L440	M438-L440 HydrophobicContact CE-CD1 4.44Å
439	P	25.6	Very low	26.8	Very low	87 Å²	87	141.5 Å²	141.5	57%	0.565	73%	0.729	S	S	*	*				-138.7	163.3	99	39.1	-29.7	0	0	0	116.2	K836	P439-K836 HydrophobicContact CB-CD 4.46Å; P439-K836 HydrophobicContact CB-CG 4.4Å
440	L	21.4	Very low	26.8	Very low	128 Å²	128	139.3 Å²	139.3	67%	0.67	72%	0.722	S	S	*	*			trans	-86	157.4	169.1	-69.7	163.6	0	0	0	111.6	M438	M438-L440 HydrophobicContact CE-CD1 4.44Å
441	T	24.2	Very low	26.8	Very low	101 Å²	101	138 Å²	138	62%	0.62	72%	0.718	S	S	*	*			trans	55.6	165.2	149.6	58.1	0	0	0	0	119.6	D834	T441-D834 WeakPolarHBondContact CB-OD1 3.5Å; T441-D834 PolarHBondContact OG1-OD1 2.93Å
442	E	25	Very low	26.6	Very low	138 Å²	138	141.6 Å²	141.6	65%	0.645	73%	0.728	S	S	*	*			cis	-123.8	-166.5	-13.7	-137.5	171.1	-130.1	0	0	108.6	D834	E442-D834 WeakPolarHBondContact CB-OD2 3.27Å; E442-D834 VanDerWaalsContact N-CG 3.35Å; E442-D834 PolarHBondContact N-OD1 2.86Å; E442-D834 PolarHBondContact N-OD2 3.14Å
443	V	24	Very low	26.7	Very low	95 Å²	95	138.4 Å²	138.4	58%	0.576	72%	0.719	S	S	*	*				-161.5	144.9	53	161.7	0	0	0	0	108.8	L833	V443-L833 HydrophobicContact CG2-CD1 4.02Å; V443-L833 HydrophobicContact CG2-CG 4.4Å
444	K	30.1	Very low	26.3	Very low	190 Å²	190	136.9 Å²	136.9	83%	0.826	72%	0.719	S	S	*	*			trans	-79.2	143.7	168.1	-64.3	178.5	178.6	-179	0	112
445	S	25	Very low	26.3	Very low	116 Å²	116	132.9 Å²	132.9	81%	0.811	71%	0.705	S	S	*	*			trans	-151.6	103.9	146.2	61.4	0	0	0	0	111.7
446	E	25.5	Very low	26.3	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.822	71%	0.708	S	S	*	*			trans	-68.3	164	152	-127.9	162.8	-124.5	0	0	108.6
447	P	40.4	Very low	26.3	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	70%	0.696	S	S	*	*				-139.3	167.4	66.8	37.6	-20.3	0	0	0	116.4
448	E	29.7	Very low	26.5	Very low	163 Å²	163	126.3 Å²	126.3	76%	0.762	68%	0.68	S	S	*	*			trans	6.2	138.8	140.3	-48.2	178.4	131.9	0	0	117.2
449	E	29.8	Very low	26.7	Very low	162 Å²	162	125.8 Å²	125.8	76%	0.757	67%	0.671	S	S	*	*				-160.8	157	54.3	-94.9	-161.8	160.2	0	0	115.4
450	N	26.4	Very low	27.4	Very low	108 Å²	108	128.7 Å²	128.7	58%	0.578	68%	0.677	S	S	*	*			trans	61.5	115.6	138.4	-71.5	-40.4	0	0	0	124.4
451	I	26.6	Very low	27.7	Very low	131 Å²	131	127.5 Å²	127.5	67%	0.672	67%	0.668	S	S	*	*				83.9	133.9	121.4	-66.4	169.6	0	0	0	119.9
452	D	23.9	Very low	28.1	Very low	143 Å²	143	128.7 Å²	128.7	77%	0.765	67%	0.669	S	S	*	*			trans	64	157.9	160.7	-80.5	-29.6	0	0	0	119.1
453	S	25.9	Very low	28.7	Very low	91 Å²	91	128.4 Å²	128.4	64%	0.636	67%	0.668	S	S	*	*			cis	-171.5	135.1	-30.7	-111.1	0	0	0	0	105.8
454	N	21.8	Very low	29.5	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	67%	0.673	S	S	*	*				73.1	145.4	93.5	-162	25.6	0	0	0	116.1
455	S	23.8	Very low	29.7	Very low	83 Å²	83	129 Å²	129	58%	0.58	67%	0.668	S	S	*	*			trans	68.5	126	167.4	-77	0	0	0	0	121.9
456	E	23.8	Very low	30.6	Very low	171 Å²	171	128.9 Å²	128.9	80%	0.799	67%	0.668	S	S	*	*			trans	67.2	105.5	131.8	-63.9	-171.2	91.9	0	0	122.5
457	S	27.6	Very low	31.2	Very low	91 Å²	91	125.1 Å²	125.1	64%	0.636	66%	0.658	S	S	*	*				24.8	132.8	122.2	58.9	0	0	0	0	121.5
458	E	30.3	Very low	31	Very low	92 Å²	92	131.5 Å²	131.5	43%	0.43	67%	0.668	S	S	.	*				173.7	136.4	104.9	-95.3	-177.8	126.3	0	0	115.7	K481	E458-K481 WeakPolarHBondContact OE1-CE 3.49Å; E458-K481 IonicContact OE1-NZ 3.81Å; E458-K481 WeakPolarHBondContact OE2-CE 3.28Å; E458-K481 IonicContact OE2-NZ 2.65Å; E458-K481 PolarHBondContact OE2-NZ 3.5Å
459	R	30.1	Very low	31.2	Very low	123 Å²	123	127.2 Å²	127.2	46%	0.464	67%	0.668	S	S	.	*			trans	73.9	177.1	140.9	-65.8	172.8	-162.1	-80.7	-10.1	121.8	I480	R459-I480 HydrophobicContact CB-CG1 4.42Å
460	E	39.7	Very low	31.5	Very low	147 Å²	147	130.7 Å²	130.7	69%	0.687	67%	0.674	S	S	*	*			trans	-110.1	159.6	-157.1	-51.2	149.9	98.8	0	0	114.8
461	E	27.6	Very low	32.3	Very low	104 Å²	104	135.4 Å²	135.4	49%	0.486	68%	0.684	S	S	.	*			trans	-146.8	130.8	146.6	-165.9	-177.7	-176	0	0	106.2	N478	E461-N478 VanDerWaalsContact CD-N 3.31Å; E461-N478 WeakPolarHBondContact OE1-CA 3.25Å; E461-N478 PolarHBondContact OE1-N 3.39Å; E461-N478 WeakPolarHBondContact OE2-CA 3.47Å; E461-N478 WeakPolarHBondContact OE2-CB 3.44Å; E461-N478 PolarHBondContact OE2-ND2 2.78Å; E461-N478 PolarHBondContact OE2-OD1 2.81Å
462	I	33.6	Very low	32.9	Very low	125 Å²	125	139.3 Å²	139.3	64%	0.641	69%	0.69	S	S	*	*			cis	97.4	107.9	28.6	-62.8	-179.1	0	0	0	114.9
463	E	36.6	Very low	33.5	Very low	133 Å²	133	139.7 Å²	139.7	62%	0.621	69%	0.691	S	S	*	*			trans	43.3	127.3	147.8	-68.3	-153	139.2	0	0	125.9	K465	E463-K465 IonicContact OE1-NZ 3.96Å; E463-K465 IonicContact OE2-NZ 2.58Å; E463-K465 PolarHBondContact OE2-NZ 2.98Å
464	L	42	Very low	33.7	Very low	130 Å²	130	139.4 Å²	139.4	68%	0.681	69%	0.694	S	S	*	*				44.1	143.4	117.9	-48	178.5	0	0	0	121.9
465	K	33.8	Very low	34.2	Very low	167 Å²	167	143 Å²	143	73%	0.726	70%	0.696	S	S	*	*				179.2	167.5	93	-106.2	116.3	-168.5	173.8	0	114.7	E463	E463-K465 IonicContact OE1-NZ 3.96Å; E463-K465 IonicContact OE2-NZ 2.58Å; E463-K465 PolarHBondContact OE2-NZ 2.98Å
466	S	44.4	Very low	34.4	Very low	114 Å²	114	145.5 Å²	145.5	80%	0.797	70%	0.703	S	S	*	*			trans	-68	156.4	-172.7	176.8	0	0	0	0	116
467	P	38.3	Very low	34.7	Very low	97 Å²	97	143.1 Å²	143.1	63%	0.63	70%	0.7	S	S	*	*			trans	-126.2	127.8	168.9	37.4	-22.6	0	0	0	117.1
468	R	36.3	Very low	34.8	Very low	243 Å²	243	143 Å²	143	92%	0.917	69%	0.692	S	S	*	*			trans	87.5	151.7	151.1	-56.9	155	177.5	170.5	-0.7	117.9
469	G	33.3	Very low	34.8	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	70%	0.697	S	S	*	*	S	Bend	cis	-115.9	157.5	-3.2	0	0	0	0	0	111.9
470	R	34.9	Very low	35	Very low	234 Å²	234	141.5 Å²	141.5	88%	0.883	70%	0.701	S	S	*	*	S	Bend	cis	-157.6	124.2	20.7	169.6	-171.4	-77.9	-157.8	-1.5	105.7
471	R	43.8	Very low	34.7	Very low	208 Å²	208	140.5 Å²	140.5	79%	0.785	70%	0.695	S	S	*	*	S	Bend		-174.6	109.7	64.6	-164.1	165.7	162.8	154.5	-7.2	114.4
472	R	40.1	Very low	35	Very low	213 Å²	213	141.2 Å²	141.2	80%	0.804	70%	0.696	S	S	*	*			trans	71.4	107.5	153.8	-59.4	-175.6	-177.8	-161.9	0.2	123.9
473	I	36	Very low	34.8	Very low	151 Å²	151	141.9 Å²	141.9	77%	0.774	70%	0.697	S	S	*	*				81.8	95.4	125.9	-54.3	164.1	0	0	0	122.8
474	A	30.8	Very low	34.6	Very low	85 Å²	85	141.4 Å²	141.4	70%	0.702	70%	0.697	S	S	*	*				76.6	134.4	123.6	0	0	0	0	0	128.1
475	R	31.7	Very low	34	Very low	219 Å²	219	142.9 Å²	142.9	83%	0.826	70%	0.7	S	S	*	*			trans	105.9	132.8	146.9	-74.2	-163.1	-171.9	95.2	-3.1	124.3
476	D	28.3	Very low	33.6	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	70%	0.701	S	S	*	*			trans	71.2	124.3	138.3	-52.7	-7.5	0	0	0	127.7
477	V	29.5	Very low	32.8	Very low	120 Å²	120	143 Å²	143	73%	0.727	69%	0.691	S	S	*	*				84.1	108.3	128	173.1	0	0	0	0	126.1
478	N	29.4	Very low	32.2	Very low	88 Å²	88	145.7 Å²	145.7	47%	0.471	69%	0.693	S	S	.	*				72.1	138.9	117.3	-140.1	-16.1	0	0	0	128	E461	E461-N478 VanDerWaalsContact CD-N 3.31Å; E461-N478 WeakPolarHBondContact OE1-CA 3.25Å; E461-N478 PolarHBondContact OE1-N 3.39Å; E461-N478 WeakPolarHBondContact OE2-CA 3.47Å; E461-N478 WeakPolarHBondContact OE2-CB 3.44Å; E461-N478 PolarHBondContact OE2-ND2 2.78Å; E461-N478 PolarHBondContact OE2-OD1 2.81Å
479	S	30.8	Very low	31.7	Very low	76 Å²	76	139.6 Å²	139.6	53%	0.531	68%	0.683	S	S	.	*			trans	83.7	139	144.4	-36.9	0	0	0	0	127.9
480	I	34	Very low	31.2	Very low	109 Å²	109	144.6 Å²	144.6	56%	0.559	69%	0.686	S	S	*	*				92.2	131.3	121.2	-93.7	169.5	0	0	0	127.7	R459	R459-I480 HydrophobicContact CB-CG1 4.42Å
481	K	32.8	Very low	30.7	Very low	125 Å²	125	138.7 Å²	138.7	54%	0.543	67%	0.673	S	S	.	*			trans	58.1	169.8	147	-70.8	-179.4	179.8	171.5	0	124.1	E458	E458-K481 WeakPolarHBondContact OE1-CE 3.49Å; E458-K481 IonicContact OE1-NZ 3.81Å; E458-K481 WeakPolarHBondContact OE2-CE 3.28Å; E458-K481 IonicContact OE2-NZ 2.65Å; E458-K481 PolarHBondContact OE2-NZ 3.5Å
482	K	35.3	Very low	30.1	Very low	119 Å²	119	136.5 Å²	136.5	52%	0.517	67%	0.669	S	S	.	*			cis	172.9	144.8	-35.9	-161	-173.1	-175.1	-127.4	0	110.5
483	E	28.4	Very low	29.5	Very low	140 Å²	140	133.6 Å²	133.6	65%	0.654	67%	0.668	S	S	*	*			trans	61.6	164.5	154.6	-81.2	157.9	-170.9	0	0	121.1
484	I	31.9	Very low	29.2	Very low	123 Å²	123	134.3 Å²	134.3	63%	0.631	67%	0.666	S	S	*	*			cis	-169.6	164.8	-30.5	-151.7	172	0	0	0	110.3
485	E	29.4	Very low	29	Very low	160 Å²	160	135.3 Å²	135.3	75%	0.748	66%	0.659	S	S	*	*			trans	60.8	163.1	158.1	-84.5	159.5	-167.2	0	0	121.1
486	E	26.7	Very low	29	Very low	158 Å²	158	130.7 Å²	130.7	74%	0.738	65%	0.651	S	S	*	*			cis	-160.8	-178	-25.4	-140.1	-173.2	-175.8	0	0	112.1
487	E	26.7	Very low	29.2	Very low	127 Å²	127	129.9 Å²	129.9	59%	0.593	65%	0.647	S	S	*	*			trans	62.3	116.7	150.6	-73.3	-105.4	100.8	0	0	125.1
488	K	26.7	Very low	29.5	Very low	153 Å²	153	129.1 Å²	129.1	67%	0.665	64%	0.642	S	S	*	*				69.4	136.9	127.2	-82.5	-172.3	-170.5	117.9	0	127.1
489	T	25.3	Very low	29.5	Very low	114 Å²	114	132.5 Å²	132.5	70%	0.699	66%	0.655	S	S	*	*			trans	73.9	116.5	142.1	48.6	0	0	0	0	123.4
490	E	23.7	Very low	29.5	Very low	178 Å²	178	134.4 Å²	134.4	83%	0.832	66%	0.659	S	S	*	*				24.1	143.1	128.5	-57.1	-178.6	115	0	0	119.9
491	D	23.9	Very low	29.3	Very low	111 Å²	111	137.4 Å²	137.4	59%	0.594	67%	0.668	S	S	*	*			cis	-165.3	162.6	32.2	-164.1	11.6	0	0	0	113.6
492	K	30	Very low	28.9	Very low	162 Å²	162	138 Å²	138	70%	0.704	68%	0.677	S	S	*	*			trans	31	135.3	157.9	-79.4	160.9	-158.3	73.9	0	122.3
493	L	29	Very low	28.7	Very low	151 Å²	151	136.2 Å²	136.2	79%	0.791	69%	0.685	S	S	*	*				-167.5	119.3	117.1	-101.4	-179.2	0	0	0	113.3
494	K	29	Very low	28.6	Very low	166 Å²	166	136.5 Å²	136.5	72%	0.722	69%	0.691	S	S	*	*			trans	54.3	142.2	135.8	-77.7	-165.7	174.7	-67.9	0	122.2
495	D	27.4	Very low	28.4	Very low	107 Å²	107	137.9 Å²	137.9	57%	0.572	70%	0.7	S	S	*	*			cis	-168.9	174	-6.6	-132.1	-6.2	0	0	0	112.5
496	N	30	Very low	28.4	Very low	121 Å²	121	137.2 Å²	137.2	65%	0.647	70%	0.702	S	S	*	*			trans	69.4	144.1	157.5	-65.6	23.1	0	0	0	118.1
497	D	33	Very low	28.3	Very low	120 Å²	120	138.3 Å²	138.3	64%	0.642	70%	0.7	S	S	*	*			cis	-162.9	168	-6.6	-109.5	-33.9	0	0	0	107.9
498	T	35.5	Very low	28.2	Very low	103 Å²	103	139.3 Å²	139.3	63%	0.632	71%	0.705	S	S	*	*			cis	-155.9	147.4	14.6	-5	0	0	0	0	110
499	E	30.6	Very low	27.9	Very low	159 Å²	159	137.6 Å²	137.6	74%	0.743	71%	0.707	S	S	*	*			trans	55.2	145.9	150.5	-62.6	-167.5	122	0	0	121.4
500	N	29.5	Very low	27.9	Very low	116 Å²	116	136 Å²	136	62%	0.62	71%	0.705	S	S	*	*			cis	-157.9	144.1	-10.4	-110.5	-28.6	0	0	0	111.1
501	K	30.5	Very low	27.9	Very low	172 Å²	172	134.6 Å²	134.6	75%	0.748	70%	0.699	S	S	*	*				11.3	158.5	125.3	-59.3	-165	171.3	-177.9	0	120.3
502	D	24.2	Very low	28.1	Very low	137 Å²	137	136.6 Å²	136.6	73%	0.733	70%	0.702	S	S	*	*			cis	179.9	171.6	-20.8	-99.5	-42.4	0	0	0	106
503	A	31.1	Very low	28.1	Very low	82 Å²	82	136.4 Å²	136.4	68%	0.678	70%	0.701	S	S	*	*			trans	82.2	128.6	149.2	0	0	0	0	0	122.3
504	D	26	Very low	28.2	Very low	146 Å²	146	135.1 Å²	135.1	78%	0.781	69%	0.691	S	S	*	*			trans	78.2	112.1	131.2	-56	-1.5	0	0	0	124.3
505	D	28.8	Very low	28	Very low	153 Å²	153	133.2 Å²	133.2	82%	0.818	69%	0.689	S	S	*	*				66.7	115.8	119.9	-72.2	2.2	0	0	0	125.8
506	D	28.4	Very low	28.1	Very low	146 Å²	146	134.8 Å²	134.8	78%	0.781	69%	0.693	S	S	*	*				96.3	148.2	118.3	-151.7	34.8	0	0	0	124
507	Y	25.1	Very low	27.8	Very low	180 Å²	180	135.2 Å²	135.2	71%	0.706	70%	0.695	S	S	*	*			trans	31.7	107.9	166.6	-110.5	-114.4	0	0	0	124.6
508	E	24.3	Very low	27.5	Very low	149 Å²	149	135.7 Å²	135.7	70%	0.696	70%	0.697	S	S	*	*				74.9	161.4	126	-129.7	-149.1	-107.4	0	0	123.7
509	T	21.1	Very low	27	Very low	116 Å²	116	137.6 Å²	137.6	71%	0.712	70%	0.702	S	S	*	*			trans	92.4	123.3	156.8	-4.7	0	0	0	0	121.2
510	A	24.3	Very low	26.8	Very low	80 Å²	80	130.9 Å²	130.9	66%	0.661	68%	0.675	S	S	*	*			trans	69.9	106.3	143.2	0	0	0	0	0	122.6
511	E	23.7	Very low	26.8	Very low	149 Å²	149	134 Å²	134	70%	0.696	68%	0.678	S	S	*	*				78.8	118.8	120.6	-68.7	-154.5	127.9	0	0	123.1
512	K	29.7	Very low	26.6	Very low	154 Å²	154	131.6 Å²	131.6	67%	0.67	67%	0.668	S	S	*	*				105	127.5	123.2	-84.6	166.4	-175.7	148.1	0	120.3
513	K	29.9	Very low	26.5	Very low	157 Å²	157	129.4 Å²	129.4	68%	0.683	66%	0.656	S	S	*	*			trans	74.4	143.8	153.5	-68.1	-177.9	164.3	-73	0	117.2
514	E	30.4	Very low	26.2	Very low	124 Å²	124	129.7 Å²	129.7	58%	0.579	65%	0.65	S	S	*	*			cis	-172.6	150.9	-16.2	-115.7	164.3	-171.4	0	0	106
515	N	25.6	Very low	26.4	Very low	126 Å²	126	126.5 Å²	126.5	67%	0.674	64%	0.637	S	S	*	*			cis	-127.4	155.3	3.2	-69.8	-88.3	0	0	0	109.5
516	E	28.4	Very low	26.1	Very low	140 Å²	140	126.6 Å²	126.6	65%	0.654	63%	0.63	S	S	*	*			cis	70	135.1	46.4	-98.9	-160.3	175	0	0	113.7
517	L	24.6	Very low	25.9	Very low	130 Å²	130	126.3 Å²	126.3	68%	0.681	62%	0.624	S	S	*	*			cis	-135.5	166.9	3.1	-75.7	156.1	0	0	0	108.7
518	L	25.3	Very low	25.9	Very low	131 Å²	131	122.1 Å²	122.1	69%	0.686	61%	0.61	S	S	*	*			cis	71.1	160.3	28	-50.2	179.2	0	0	0	113
519	L	25.3	Very low	26.1	Very low	142 Å²	142	120.7 Å²	120.7	74%	0.743	60%	0.603	S	S	*	*			cis	-163.6	144.6	-22.5	-117.9	173.4	0	0	0	111.2
520	G	26.2	Very low	26.6	Very low	18 Å²	18	119.1 Å²	119.1	19%	0.186	59%	0.586	C	S	.	*			trans	72.2	176.5	148.6	0	0	0	0	0	117.8	F1049 E1050 T1051	G520-F1049 CarbonylContact C-O 3.56Å; G520-E1050 CarbonylContact C-O 3.6Å; G520-E1050 CarbonylContact O-C 3.5Å; G520-T1051 PolarHBondContact O-N 3.03Å; G520-T1051 PolarHBondContact O-OG1 2.68Å
521	R	30.3	Very low	26.7	Very low	181 Å²	181	121.8 Å²	121.8	68%	0.683	58%	0.583	S	S	*	*	B	Isolated β-bridge	cis	-167.7	109.9	39.5	-176	-170.1	173.3	-75.4	7.2	118.1	F1049 E1050	R521-F1049 VanDerWaalsContact C-CB 3.4Å; R521-F1049 CarbonylContact C-O 3.49Å; R521-F1049 VanDerWaalsContact C-O 3.32Å; R521-F1049 WeakPolarHBondContact CA-O 3.45Å; R521-F1049 PolarHBondContact N-O 2.89Å; R521-F1049 VanDerWaalsContact N-O 3.07Å; R521-E1050 PolarHBondContact N-O 2.85Å
522	K	25.2	Very low	26.9	Very low	123 Å²	123	120.9 Å²	120.9	54%	0.535	58%	0.582	S	S	.	*			trans	73.1	-179	138.2	-60.2	-178.4	-175	-175.4	0	119.1	G1048 F1049	K522-G1048 CarbonylContact C-O 3.28Å; K522-G1048 WeakPolarHBondContact CA-O 3.3Å; K522-G1048 PolarHBondContact N-O 3.29Å; K522-F1049 PolarHBondContact N-O 2.87Å
523	N	23.2	Very low	26.8	Very low	90 Å²	90	122 Å²	122	48%	0.481	59%	0.587	S	S	.	*				-152.4	168.6	-59.7	-93.9	-1.4	0	0	0	110.7	N1047 G1048	N523-N1047 CarbonylContact C-O 3.59Å; N523-N1047 VanDerWaalsContact CA-C 3.45Å; N523-N1047 VanDerWaalsContact CA-O 3.24Å; N523-N1047 WeakPolarHBondContact CA-O 3.49Å; N523-N1047 PolarHBondContact OD1-O 2.95Å; N523-G1048 PolarHBondContact OD1-N 2.85Å; N523-G1048 VanDerWaalsContact OD1-N 3.09Å; N523-G1048 PolarHBondContact OD1-O 2.88Å
524	T	25.2	Very low	26.6	Very low	88 Å²	88	122.5 Å²	122.5	54%	0.54	59%	0.589	S	S	.	*			trans	76.9	166.4	159.8	75.5	0	0	0	0	118.7	A1046 N1047	T524-A1046 CarbonylContact C-O 3.23Å; T524-A1046 VanDerWaalsContact C-O 3.28Å; T524-A1046 WeakPolarHBondContact CA-O 3.29Å; T524-A1046 PolarHBondContact N-O 3.21Å; T524-A1046 WeakPolarHBondContact O-CB 3.41Å; T524-N1047 PolarHBondContact N-O 2.64Å; T524-N1047 VanDerWaalsContact N-O 3.12Å; T524-N1047 PolarHBondContact O-ND2 3.26Å
525	P	29.3	Very low	26.4	Very low	80 Å²	80	122.4 Å²	122.4	52%	0.519	59%	0.588	S	S	.	*				-147.2	163.3	-55.5	41.5	-24.8	0	0	0	117.5	S1045	P525-S1045 CarbonylContact C-O 3.4Å
526	K	22.1	Very low	26.4	Very low	154 Å²	154	123.5 Å²	123.5	67%	0.67	59%	0.589	S	S	*	*			trans	66.5	158.1	147.6	-73.4	175.1	179.2	179.7	0	116.8	E1044 S1045	K526-E1044 VanDerWaalsContact CA-O 3.25Å; K526-E1044 WeakPolarHBondContact CA-O 3.41Å; K526-S1045 PolarHBondContact N-O 2.96Å
527	Q	24.8	Very low	26.5	Very low	141 Å²	141	124 Å²	124	66%	0.659	60%	0.596	S	S	*	*			cis	-169.7	173.6	9.4	-135.3	170.2	-14.6	0	0	111.3
528	K	25.3	Very low	26.8	Very low	91 Å²	91	122.2 Å²	122.2	40%	0.396	60%	0.595	S	S	.	*			trans	66.3	156.2	161.1	-58.2	-134.5	73.4	-162.1	0	117	E1042 R1043	K528-E1042 WeakPolarHBondContact CA-OE1 3.33Å; K528-E1042 WeakPolarHBondContact CE-OE1 3.45Å; K528-E1042 IonicContact NZ-OE1 3.8Å; K528-R1043 WeakPolarHBondContact O-CB 3.48Å; K528-R1043 WeakPolarHBondContact O-CD 3.19Å
529	E	27.5	Very low	27.2	Very low	119 Å²	119	121.2 Å²	121.2	56%	0.556	59%	0.59	S	S	*	*			cis	-145.7	171.5	22.1	-177.1	55.7	-84.2	0	0	111.9	E1042	E529-E1042 VanDerWaalsContact C-CG 3.43Å
530	K	31.9	Very low	27.8	Very low	83 Å²	83	121.9 Å²	121.9	36%	0.361	59%	0.587	S	S	.	*			trans	-96.4	156	-177.4	-102.2	160.9	-171.7	59.9	0	115.9	L1040 C1041 E1042	K530-L1040 HydrophobicContact CD-CB 4.16Å; K530-L1040 HydrophobicContact CD-CD1 4.27Å; K530-L1040 HydrophobicContact CG-CB 3.97Å; K530-L1040 HydrophobicContact CG-CD1 4.48Å; K530-L1040 PolarHBondContact NZ-O 2.82Å; K530-L1040 VanDerWaalsContact NZ-O 3.17Å; K530-C1041 PolarHBondContact NZ-O 3.44Å; K530-E1042 WeakPolarHBondContact CD-OE2 3.45Å; K530-E1042 WeakPolarHBondContact CE-OE2 3.37Å; K530-E1042 HydrophobicContact CG-CG 4.49Å; K530-E1042 WeakPolarHBondContact CG-OE2 3.36Å; K530-E1042 IonicContact NZ-OE2 2.75Å; K530-E1042 PolarHBondContact NZ-OE2 2.98Å
531	K	26.3	Very low	28	Very low	136 Å²	136	127.7 Å²	127.7	59%	0.591	61%	0.614	S	S	*	*			trans	65.7	167.1	147.2	-78.6	-179.2	143.6	162.5	0	116.4	L1040	K531-L1040 HydrophobicContact CD-CD1 3.74Å; K531-L1040 HydrophobicContact CD-CD2 4.23Å; K531-L1040 HydrophobicContact CG-CD1 4.13Å; K531-L1040 HydrophobicContact CG-CD2 3.72Å; K531-L1040 VanDerWaalsContact NZ-CD1 3.35Å
532	I	28.7	Very low	28	Very low	130 Å²	130	123.3 Å²	123.3	67%	0.667	61%	0.611	S	S	*	*			cis	-154.7	179	-0.2	-129.9	167.7	0	0	0	111.6
533	K	26.7	Very low	28.6	Very low	178 Å²	178	124.6 Å²	124.6	77%	0.774	62%	0.624	S	S	*	*			trans	3.2	141.2	164.5	-64.5	-179.2	175.4	-176.5	0	120.7
534	K	25.5	Very low	29	Very low	167 Å²	167	128.7 Å²	128.7	73%	0.726	64%	0.64	S	S	*	*			cis	87.7	135.6	41.5	-159.1	-142	176.7	-153.2	0	114.3
535	Q	26.1	Very low	29.5	Very low	122 Å²	122	132.3 Å²	132.3	57%	0.57	65%	0.651	S	S	*	*			trans	84.4	121.9	173.8	-72.1	179.6	-110.1	0	0	115.6
536	E	26.5	Very low	29.6	Very low	150 Å²	150	135.6 Å²	135.6	70%	0.701	66%	0.659	S	S	*	*				72.2	140.3	84.8	-70.5	163.8	-164.6	0	0	112.7
537	D	30.1	Very low	30	Very low	149 Å²	149	134.3 Å²	134.3	80%	0.797	66%	0.656	S	S	*	*			cis	-163.6	-165.4	-17.7	-133.3	65.5	0	0	0	107.6
538	S	31.7	Very low	29.9	Very low	93 Å²	93	134.2 Å²	134.2	65%	0.65	65%	0.653	S	S	*	*			cis	-159.1	-153.5	5.4	37.1	0	0	0	0	106.6
539	D	32.8	Very low	29.9	Very low	110 Å²	110	134.1 Å²	134.1	59%	0.588	66%	0.664	S	S	*	*			cis	-167.8	156.8	6.8	-151	-1.2	0	0	0	112.5
540	K	38.2	Very low	29.7	Very low	156 Å²	156	135.7 Å²	135.7	68%	0.678	67%	0.671	S	S	*	*			trans	57.2	163.7	145.3	-87.6	170.4	-160	75.1	0	124
541	D	30.2	Very low	29.3	Very low	140 Å²	140	137 Å²	137	75%	0.749	68%	0.679	S	S	*	*			cis	-148.9	157	23.6	-110.6	-35.3	0	0	0	115.8
542	S	31.5	Very low	29.3	Very low	90 Å²	90	139 Å²	139	63%	0.629	68%	0.682	S	S	*	*			trans	49.2	129.7	149	-152.8	0	0	0	0	121.8
543	D	36.7	Very low	29.2	Very low	149 Å²	149	138.5 Å²	138.5	80%	0.797	68%	0.677	S	S	*	*			cis	72.5	140.2	41.8	-53.5	-57.7	0	0	0	113.7
544	E	32.6	Very low	29.5	Very low	177 Å²	177	138.1 Å²	138.1	83%	0.827	68%	0.678	S	S	*	*			cis	-149	156.4	29.5	-53.6	170.4	107.2	0	0	114.8
545	E	34.6	Very low	29.6	Very low	163 Å²	163	136.8 Å²	136.8	76%	0.762	68%	0.684	S	S	*	*			trans	47.6	157.8	138.8	-65.2	-55.5	101.6	0	0	124.7
546	E	31.8	Very low	30	Very low	150 Å²	150	140.2 Å²	140.2	70%	0.701	70%	0.7	S	S	*	*			cis	-163.3	172.9	-17.1	-154.4	-163.3	179.6	0	0	109.8
547	E	29.6	Very low	29.9	Very low	127 Å²	127	139.1 Å²	139.1	59%	0.593	71%	0.709	S	S	*	*			trans	64.1	153.4	155.3	-72.1	-89.3	97	0	0	120.2
548	K	24.4	Very low	30	Very low	139 Å²	139	140.8 Å²	140.8	60%	0.604	71%	0.709	S	S	*	*			cis	-172.8	176.9	-21.1	-159.8	-155	-144	74.8	0	108.8
549	S	25	Very low	29.6	Very low	88 Å²	88	142 Å²	142	62%	0.615	72%	0.716	S	S	*	*			trans	83	122.2	158.9	-49	0	0	0	0	115
550	Q	23.4	Very low	29.2	Very low	153 Å²	153	142.6 Å²	142.6	72%	0.715	72%	0.719	S	S	*	*				69.2	137.2	66.4	-73.7	-177.8	-95.2	0	0	112.8
551	E	22.5	Very low	28.7	Very low	111 Å²	111	139.6 Å²	139.6	52%	0.519	72%	0.718	S	S	.	*			cis	-171.9	154.3	-12.4	-125.5	179.2	134	0	0	106.9
552	R	26.2	Very low	28.8	Very low	177 Å²	177	141.9 Å²	141.9	67%	0.668	72%	0.724	S	S	*	*			trans	63.9	173.7	150.2	-65	170.2	-169.5	-110.4	5.8	116.5
553	E	26.3	Very low	28.7	Very low	120 Å²	120	141.3 Å²	141.3	56%	0.561	73%	0.733	S	S	*	*			cis	-143.5	161.3	-27	-118.7	146.3	-161.1	0	0	109
554	E	34.5	Very low	28.6	Very low	169 Å²	169	143 Å²	143	79%	0.79	74%	0.736	S	S	*	*			trans	1.4	123.3	146.9	-62.5	152.3	-173.3	0	0	118.1
555	T	26.5	Very low	28.7	Very low	140 Å²	140	143.2 Å²	143.2	86%	0.859	74%	0.737	S	S	*	*			trans	-134.8	111.7	142.7	55.2	0	0	0	0	109.9
556	E	34	Very low	28.7	Very low	194 Å²	194	143.5 Å²	143.5	91%	0.907	74%	0.744	S	S	*	*			trans	-71	145.9	170.5	-55.1	176	150.2	0	0	110.4
557	S	26.3	Very low	29.1	Very low	126 Å²	126	145.1 Å²	145.1	88%	0.881	75%	0.751	S	S	*	*			trans	-154.2	142	156.4	62.7	0	0	0	0	110.7
558	K	30.5	Very low	29.4	Very low	185 Å²	185	148.3 Å²	148.3	80%	0.804	77%	0.766	S	S	*	*			trans	-137.1	121.1	-178.3	176.1	-178.5	173.7	178.4	0	110.5	D560	K558-D560 WeakPolarHBondContact CE-OD2 3.22Å
559	C	23.2	Very low	30.2	Very low	118 Å²	118	149.5 Å²	149.5	80%	0.797	78%	0.779	S	S	*	*			trans	-167.8	115.7	158.8	-164.9	0	0	0	0	104.5
560	D	25.4	Very low	30.4	Very low	122 Å²	122	154 Å²	154	65%	0.652	79%	0.793	S	S	*	*				68.4	137.8	60.6	-75.1	-57.7	0	0	0	114.6	K558	K558-D560 WeakPolarHBondContact CE-OD2 3.22Å
561	S	28	Very low	31.6	Very low	94 Å²	94	152.7 Å²	152.7	66%	0.657	79%	0.787	S	S	*	*			trans	83.1	95.7	178.2	-72.6	0	0	0	0	120.9
562	E	32.2	Very low	32.5	Very low	187 Å²	187	152.4 Å²	152.4	87%	0.874	79%	0.794	S	S	*	*				75.5	127.4	122.2	-66.4	153.2	-100	0	0	122.1
563	G	29.4	Very low	33.6	Very low	78 Å²	78	149.3 Å²	149.3	80%	0.804	80%	0.798	S	S	*	*			trans	156.6	120.3	170	0	0	0	0	0	111.9
564	E	34.7	Very low	35.8	Very low	185 Å²	185	146.6 Å²	146.6	86%	0.864	79%	0.788	S	S	*	*			trans	-99.7	167.8	-171.7	-62.7	174.3	125.2	0	0	113.8
565	E	35.2	Very low	37.8	Very low	181 Å²	181	142.2 Å²	142.2	85%	0.846	77%	0.772	S	S	*	*			trans	58.5	102.9	159.8	-68.3	173.6	-170.1	0	0	119.5
566	D	32.9	Very low	40.4	Very low	170 Å²	170	138.1 Å²	138.1	91%	0.909	76%	0.758	S	S	*	*				-164.8	147.5	99.4	-128	-18.4	0	0	0	110.9
567	E	40.6	Very low	43.2	Very low	183 Å²	183	131.2 Å²	131.2	86%	0.855	73%	0.729	S	S	*	*			trans	-107.8	146.9	173.1	-74.5	-164.4	174.7	0	0	111.6
568	E	36.9	Very low	46.4	Very low	194 Å²	194	129 Å²	129	91%	0.907	70%	0.704	S	S	*	*			trans	-170.1	137.1	136.3	-109.7	174.6	-157	0	0	112.3
569	D	39.9	Very low	49.4	Very low	164 Å²	164	120.2 Å²	120.2	88%	0.877	67%	0.666	S	S	*	*			trans	41	93.7	166.7	-92.6	-17.7	0	0	0	119.7
570	M	29.3	Very low	52.9	Low	182 Å²	182	119.4 Å²	119.4	90%	0.897	65%	0.648	S	S	*	*			trans	-113.6	122.5	141.4	-175.5	163.5	-73.9	0	0	109.6
571	E	48.3	Very low	56.2	Low	127 Å²	127	113.6 Å²	113.6	59%	0.593	62%	0.617	S	S	*	*			trans	-63.2	131.4	-169.4	-163.4	165.4	-153.8	0	0	111.6	C573 K639	E571-C573 PolarHBondContact O-N 2.91Å; E571-K639 WeakPolarHBondContact OE1-CE 3.13Å; E571-K639 IonicContact OE1-NZ 2.65Å; E571-K639 PolarHBondContact OE1-NZ 3.23Å; E571-K639 IonicContact OE2-NZ 3.31Å
572	P	42.7	Very low	59.4	Low	105 Å²	105	112.1 Å²	112.1	68%	0.682	60%	0.599	S	S	*	*			trans	-66.2	120.4	-169.1	24.4	-34.5	0	0	0	112	L574	P572-L574 PolarHBondContact O-N 3.13Å
573	C	49.5	Very low	62.1	Low	111 Å²	111	108.5 Å²	108.5	75%	0.75	58%	0.578	S	S	*	*			trans	-57	110.6	178.1	-66.6	0	0	0	0	111.2	E571 T575	E571-C573 PolarHBondContact O-N 2.91Å; C573-T575 PolarHBondContact O-N 3.36Å
574	L	71.9	Confident	64.5	Low	64 Å²	64	106.8 Å²	106.8	34%	0.335	56%	0.56	S	S	.	*			trans	-70.6	0.8	-179.7	-65.7	167.3	0	0	0	113.9	P572 T577 Y608 W630	P572-L574 PolarHBondContact O-N 3.13Å; L574-T577 WeakPolarHBondContact O-CB 3.48Å; L574-T577 PolarHBondContact O-N 3.18Å; L574-T577 PolarHBondContact O-OG1 2.9Å; L574-Y608 HydrophobicContact CD1-CE1 3.85Å; L574-W630 HydrophobicContact CD1-CH2 4.07Å; L574-W630 HydrophobicContact CD2-CH2 4.47Å
575	T	76.2	Confident	66.8	Low	76 Å²	76	109 Å²	109	47%	0.466	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.1	137.1	172	-65.2	0	0	0	0	111.4	C573 I596 K597	C573-T575 PolarHBondContact O-N 3.36Å; T575-I596 CarbonylContact C-O 3.05Å; T575-I596 VanDerWaalsContact CA-O 3.31Å; T575-I596 WeakPolarHBondContact CA-O 3.42Å; T575-K597 VanDerWaalsContact CG2-O 3.24Å; T575-K597 WeakPolarHBondContact CG2-O 3.09Å; T575-K597 PolarHBondContact OG1-O 2.72Å
576	G	81.9	Confident	68.8	Low	54 Å²	54	103.1 Å²	103.1	56%	0.557	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	-17.2	-174.2	0	0	0	0	0	114.6	K578 I596	G576-K578 PolarHBondContact O-N 3.22Å; G576-I596 PolarHBondContact N-O 2.87Å
577	T	92.8	Very high	70.8	Confident	50 Å²	50	105.7 Å²	105.7	31%	0.307	55%	0.552	S	S	.	*			trans	-67.2	122.2	-176.5	-46.9	0	0	0	0	112	L574 V579 S595 I596 W630	L574-T577 WeakPolarHBondContact O-CB 3.48Å; L574-T577 PolarHBondContact O-N 3.18Å; L574-T577 PolarHBondContact O-OG1 2.9Å; T577-V579 HydrophobicContact CG2-CG1 4.07Å; T577-V579 PolarHBondContact O-N 3.48Å; T577-S595 WeakPolarHBondContact O-CA 3.24Å; T577-I596 PolarHBondContact O-N 2.71Å; T577-W630 HydrophobicContact CG2-CE3 4.35Å; T577-W630 HydrophobicContact CG2-CZ3 3.92Å
578	K	92.4	Very high	72.6	Confident	79 Å²	79	102.2 Å²	102.2	34%	0.343	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	123.1	167	-65	-151.4	-179.1	-172	0	109.9	G576 E593 Y613 E701	G576-K578 PolarHBondContact O-N 3.22Å; K578-E593 WeakPolarHBondContact CD-OE1 3.39Å; K578-Y613 HydrophobicContact CD-CE2 3.95Å; K578-Y613 WeakPolarHBondContact CE-OH 3.24Å; K578-Y613 HydrophobicContact CG-CE2 3.95Å; K578-Y613 WeakPolarHBondContact CG-OH 3.41Å; K578-E701 IonicContact NZ-OE2 3.51Å; K578-E701 PolarHBondContact NZ-OE2 2.78Å
579	V	95.1	Very high	74.9	Confident	1 Å²	1	97.4 Å²	97.4	1%	0.006	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160.9	-179.1	-65.6	0	0	0	0	111.2	T577 V581 A594 I596 I628 W630	T577-V579 HydrophobicContact CG2-CG1 4.07Å; T577-V579 PolarHBondContact O-N 3.48Å; V579-V581 HydrophobicContact CG2-CG2 4.08Å; V579-A594 WeakPolarHBondContact CG2-O 3.38Å; V579-A594 PolarHBondContact N-O 2.91Å; V579-A594 PolarHBondContact O-N 3.41Å; V579-A594 VanDerWaalsContact O-O 3.05Å; V579-I596 HydrophobicContact CG1-CD1 3.98Å; V579-I596 HydrophobicContact CG1-CG1 4.47Å; V579-I596 HydrophobicContact CG2-CD1 4.27Å; V579-I596 HydrophobicContact CG2-CG1 3.95Å; V579-I628 HydrophobicContact CB-CG2 3.8Å; V579-I628 HydrophobicContact CG1-CG2 4.06Å; V579-I628 HydrophobicContact CG2-CG2 4.04Å; V579-W630 HydrophobicContact CG1-CD2 4.17Å; V579-W630 HydrophobicContact CG1-CE3 3.57Å; V579-W630 HydrophobicContact CG1-CH2 4.25Å; V579-W630 HydrophobicContact CG1-CZ3 3.62Å
580	K	95.2	Very high	77.3	Confident	100 Å²	100	95.8 Å²	95.8	44%	0.435	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.8	179.6	-79	-179	179.9	-177.9	0	110.9	I591 Y592 E593 I629	K580-I591 HydrophobicContact CB-CG2 3.7Å; K580-I591 HydrophobicContact CG-CG2 4.33Å; K580-Y592 CarbonylContact C-O 3.59Å; K580-Y592 WeakPolarHBondContact CA-O 3.41Å; K580-E593 VanDerWaalsContact CE-CD 3.46Å; K580-E593 WeakPolarHBondContact CE-OE2 3.46Å; K580-E593 HydrophobicContact CG-CB 4.43Å; K580-E593 HydrophobicContact CG-CG 4.18Å; K580-E593 IonicContact NZ-OE2 3.99Å; K580-E593 PolarHBondContact NZ-OE2 2.88Å; K580-I629 HydrophobicContact CB-CB 4.12Å; K580-I629 PolarHBondContact N-O 2.92Å; K580-I629 WeakPolarHBondContact O-CA 3.46Å; K580-I629 WeakPolarHBondContact O-CB 3.42Å; K580-I629 WeakPolarHBondContact O-CG1 3.46Å; K580-I629 PolarHBondContact O-N 2.87Å
581	V	96	Very high	80.4	Confident	0 Å²	0	91.8 Å²	91.8	0%	0	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.9	-170.8	178.3	0	0	0	0	111.1	V579 I591 Y592 A594 V610 Y612 V623 I628	V579-V581 HydrophobicContact CG2-CG2 4.08Å; V581-I591 WeakPolarHBondContact O-CA 3.45Å; V581-Y592 PolarHBondContact N-O 2.89Å; V581-Y592 PolarHBondContact O-N 2.9Å; V581-A594 HydrophobicContact CG2-CB 3.99Å; V581-V610 HydrophobicContact CG1-CG2 4.49Å; V581-V610 HydrophobicContact CG2-CB 4.33Å; V581-V610 HydrophobicContact CG2-CG1 4.11Å; V581-V610 HydrophobicContact CG2-CG2 4.22Å; V581-Y612 HydrophobicContact CB-CE1 3.84Å; V581-Y612 HydrophobicContact CG1-CE1 4.02Å; V581-Y612 WeakPolarHBondContact CG1-OH 3.47Å; V581-V623 HydrophobicContact CG1-CG1 3.86Å; V581-V623 HydrophobicContact CG1-CG2 4.4Å; V581-I628 HydrophobicContact CG2-CG1 4.43Å
582	K	93.6	Very high	82.7	Confident	64 Å²	64	88.9 Å²	88.9	28%	0.278	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.4	174.6	-64.9	171.1	-175.2	165.5	0	110.6	Q589 K590 I591 R627 I629	K582-Q589 HydrophobicContact CB-CG 4.1Å; K582-Q589 HydrophobicContact CG-CG 4.5Å; K582-K590 WeakPolarHBondContact CA-O 3.27Å; K582-I591 HydrophobicContact CG-CG1 4.29Å; K582-R627 WeakPolarHBondContact CB-O 3.32Å; K582-R627 PolarHBondContact N-O 2.97Å; K582-R627 PolarHBondContact O-NE 3.41Å; K582-R627 PolarHBondContact O-NH2 3.49Å; K582-I629 HydrophobicContact CD-CD1 4.46Å; K582-I629 HydrophobicContact CD-CG1 4.44Å; K582-I629 HydrophobicContact CG-CD1 4.01Å; K582-I629 HydrophobicContact CG-CG1 4.23Å
583	Y	89.3	Confident	85.2	Confident	111 Å²	111	87.1 Å²	87.1	44%	0.435	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138	178.5	-166.5	-86.7	0	0	0	110.4	Q589 K590 Y592 E621	Y583-Q589 CarbonylContact O-C 3.57Å; Y583-Q589 WeakPolarHBondContact O-CA 3.38Å; Y583-K590 PolarHBondContact N-O 3.4Å; Y583-K590 PolarHBondContact O-N 3.47Å; Y583-Y592 HydrophobicContact CD1-CE2 4.44Å; Y583-Y592 HydrophobicContact CG-CE2 4.29Å; Y583-E621 WeakPolarHBondContact CD2-OE1 3.36Å; Y583-E621 WeakPolarHBondContact CE2-OE1 3.38Å
584	G	81.3	Confident	87.4	Confident	41 Å²	41	81.9 Å²	81.9	42%	0.423	42%	0.418	S	S	.	.	S	Bend	trans	81.9	172.3	-172.2	0	0	0	0	0	114.1	Q589	G584-Q589 PolarHBondContact O-NE2 2.97Å
585	R	81	Confident	88.5	Confident	232 Å²	232	79.6 Å²	79.6	88%	0.875	41%	0.407	S	S	*	.	S	Bend	trans	-130.8	132.9	-168.5	-169.5	-177.5	-173.5	-154.2	3.4	111.5	T588	R585-T588 PolarHBondContact O-OG1 3.48Å
586	G	78.4	Confident	89.4	Confident	57 Å²	57	76 Å²	76	59%	0.588	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	74	-142.4	179.5	0	0	0	0	0	112.7	T588 Q589	G586-T588 PolarHBondContact O-N 3.46Å; G586-Q589 VanDerWaalsContact O-CB 3.31Å; G586-Q589 WeakPolarHBondContact O-CB 3.29Å; G586-Q589 PolarHBondContact O-N 2.82Å; G586-Q589 VanDerWaalsContact O-N 3.09Å
587	K	74.4	Confident	90	Very high	225 Å²	225	77 Å²	77	98%	0.978	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-63.9	-12.3	-173.3	-65.3	-174.4	179.4	-178.2	0	115.1
588	T	78.1	Confident	90	Very high	109 Å²	109	76.9 Å²	76.9	67%	0.669	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-100.4	7.5	178.1	53	0	0	0	0	113.3	R585 G586 K590	R585-T588 PolarHBondContact O-OG1 3.48Å; G586-T588 PolarHBondContact O-N 3.46Å; T588-K590 PolarHBondContact O-N 3.22Å
589	Q	85.1	Confident	90	Very high	94 Å²	94	75.6 Å²	75.6	44%	0.439	38%	0.375	S	S	.	.			trans	-66.2	116.9	179.3	-177.1	163	82.4	0	0	111.1	K582 Y583 G584 G586	K582-Q589 HydrophobicContact CB-CG 4.1Å; K582-Q589 HydrophobicContact CG-CG 4.5Å; Y583-Q589 CarbonylContact O-C 3.57Å; Y583-Q589 WeakPolarHBondContact O-CA 3.38Å; G584-Q589 PolarHBondContact O-NE2 2.97Å; G586-Q589 VanDerWaalsContact O-CB 3.31Å; G586-Q589 WeakPolarHBondContact O-CB 3.29Å; G586-Q589 PolarHBondContact O-N 2.82Å; G586-Q589 VanDerWaalsContact O-N 3.09Å
590	K	91.7	Very high	89.9	Confident	130 Å²	130	80.7 Å²	80.7	57%	0.565	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	161.4	174.2	-69.2	-175.2	174.9	-171.7	0	110.3	K582 Y583 T588 Y592	K582-K590 WeakPolarHBondContact CA-O 3.27Å; Y583-K590 PolarHBondContact N-O 3.4Å; Y583-K590 PolarHBondContact O-N 3.47Å; T588-K590 PolarHBondContact O-N 3.22Å; K590-Y592 HydrophobicContact CB-CD2 4.5Å; K590-Y592 HydrophobicContact CB-CE2 3.86Å; K590-Y592 HydrophobicContact CD-CE2 4.49Å; K590-Y592 VanDerWaalsContact CD-OH 3.31Å; K590-Y592 WeakPolarHBondContact CD-OH 3.49Å
591	I	94.2	Very high	89.8	Confident	98 Å²	98	81.4 Å²	81.4	50%	0.503	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.8	174.4	-60.8	167.4	0	0	0	106.9	K580 V581 K582 I629	K580-I591 HydrophobicContact CB-CG2 3.7Å; K580-I591 HydrophobicContact CG-CG2 4.33Å; V581-I591 WeakPolarHBondContact O-CA 3.45Å; K582-I591 HydrophobicContact CG-CG1 4.29Å; I591-I629 HydrophobicContact CD1-CD1 3.62Å; I591-I629 HydrophobicContact CG1-CD1 3.96Å; I591-I629 HydrophobicContact CG2-CD1 4.06Å
592	Y	95.7	Very high	89.3	Confident	65 Å²	65	86.2 Å²	86.2	26%	0.255	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.6	175.5	-62.8	-75.9	0	0	0	109.5	K580 V581 Y583 K590 Y612 W615	K580-Y592 CarbonylContact C-O 3.59Å; K580-Y592 WeakPolarHBondContact CA-O 3.41Å; V581-Y592 PolarHBondContact N-O 2.89Å; V581-Y592 PolarHBondContact O-N 2.9Å; Y583-Y592 HydrophobicContact CD1-CE2 4.44Å; Y583-Y592 HydrophobicContact CG-CE2 4.29Å; K590-Y592 HydrophobicContact CB-CD2 4.5Å; K590-Y592 HydrophobicContact CB-CE2 3.86Å; K590-Y592 HydrophobicContact CD-CE2 4.49Å; K590-Y592 VanDerWaalsContact CD-OH 3.31Å; K590-Y592 WeakPolarHBondContact CD-OH 3.49Å; Y592-Y612 HydrophobicContact CD2-CE1 4.41Å; Y592-Y612 HydrophobicContact CG-CD1 4.4Å; Y592-W615 HydrophobicContact CD1-CZ2 4.14Å; Y592-W615 HydrophobicContact CD2-CZ2 4.5Å; Y592-W615 AromaticContact CE1-CZ2 3.87Å; Y592-W615 HydrophobicContact CE1-CZ2 3.87Å; Y592-W615 HydrophobicContact CE2-CH2 4.46Å; Y592-W615 HydrophobicContact CE2-CZ2 4.23Å; Y592-W615 HydrophobicContact CG-CZ2 4.44Å; Y592-W615 AromaticContact CZ-CZ2 3.9Å
593	E	95.5	Very high	88.6	Confident	69 Å²	69	91.4 Å²	91.4	32%	0.322	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141	173.3	-156	161.6	144.9	0	0	110.2	K578 K580 Y612 Y613	K578-E593 WeakPolarHBondContact CD-OE1 3.39Å; K580-E593 VanDerWaalsContact CE-CD 3.46Å; K580-E593 WeakPolarHBondContact CE-OE2 3.46Å; K580-E593 HydrophobicContact CG-CB 4.43Å; K580-E593 HydrophobicContact CG-CG 4.18Å; K580-E593 IonicContact NZ-OE2 3.99Å; K580-E593 PolarHBondContact NZ-OE2 2.88Å; E593-Y612 WeakPolarHBondContact O-CA 3.44Å; E593-Y613 HydrophobicContact CB-CD2 4.17Å; E593-Y613 HydrophobicContact CG-CD2 3.97Å; E593-Y613 HydrophobicContact CG-CE2 4.43Å; E593-Y613 PolarHBondContact O-N 2.76Å
594	A	95.8	Very high	88.4	Confident	0 Å²	0	89.3 Å²	89.3	0%	0	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.3	-178	0	0	0	0	0	111.3	V579 V581 V610 H611 Y612	V579-A594 WeakPolarHBondContact CG2-O 3.38Å; V579-A594 PolarHBondContact N-O 2.91Å; V579-A594 PolarHBondContact O-N 3.41Å; V579-A594 VanDerWaalsContact O-O 3.05Å; V581-A594 HydrophobicContact CG2-CB 3.99Å; A594-V610 HydrophobicContact CB-CB 4.11Å; A594-H611 CarbonylContact C-O 3.58Å; A594-H611 WeakPolarHBondContact CA-O 3.31Å; A594-H611 VanDerWaalsContact CB-O 3.27Å; A594-H611 WeakPolarHBondContact CB-O 3.22Å; A594-Y612 HydrophobicContact CB-CD1 3.94Å; A594-Y612 HydrophobicContact CB-CE1 4.41Å; A594-Y612 HydrophobicContact CB-CG 4.42Å
595	S	95.2	Very high	88.7	Confident	16 Å²	16	92.2 Å²	92.2	11%	0.112	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143.4	166	56.1	0	0	0	0	111	T577 V610 H611	T577-S595 WeakPolarHBondContact O-CA 3.24Å; S595-V610 CarbonylContact O-C 2.98Å; S595-V610 WeakPolarHBondContact O-CA 2.7Å; S595-H611 PolarHBondContact N-O 2.95Å; S595-H611 PolarHBondContact O-N 3.11Å
596	I	95.8	Very high	89.2	Confident	1 Å²	1	83.5 Å²	83.5	1%	0.005	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.2	169.7	-65.6	169.5	0	0	0	108.2	T575 G576 T577 V579 S598 Y608 V610 W630	T575-I596 CarbonylContact C-O 3.05Å; T575-I596 VanDerWaalsContact CA-O 3.31Å; T575-I596 WeakPolarHBondContact CA-O 3.42Å; G576-I596 PolarHBondContact N-O 2.87Å; T577-I596 PolarHBondContact O-N 2.71Å; V579-I596 HydrophobicContact CG1-CD1 3.98Å; V579-I596 HydrophobicContact CG1-CG1 4.47Å; V579-I596 HydrophobicContact CG2-CD1 4.27Å; V579-I596 HydrophobicContact CG2-CG1 3.95Å; I596-S598 WeakPolarHBondContact CG2-O 3.23Å; I596-Y608 HydrophobicContact CD1-CD1 3.81Å; I596-Y608 HydrophobicContact CD1-CE1 4.32Å; I596-Y608 HydrophobicContact CD1-CG 4.36Å; I596-Y608 HydrophobicContact CG1-CD1 4.38Å; I596-Y608 HydrophobicContact CG2-CD1 4.05Å; I596-V610 HydrophobicContact CG1-CG1 4.26Å; I596-W630 HydrophobicContact CD1-CH2 3.32Å; I596-W630 HydrophobicContact CD1-CZ2 4.09Å; I596-W630 HydrophobicContact CD1-CZ3 3.85Å
597	K	93.3	Very high	89.9	Confident	74 Å²	74	82 Å²	82	32%	0.322	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-33.7	174.3	-75.6	-176.8	176.3	164.3	0	113	T575 L609 H611 D620	T575-K597 VanDerWaalsContact CG2-O 3.24Å; T575-K597 WeakPolarHBondContact CG2-O 3.09Å; T575-K597 PolarHBondContact OG1-O 2.72Å; K597-L609 HydrophobicContact CB-CD2 4.25Å; K597-L609 HydrophobicContact CB-CG 4.33Å; K597-L609 PolarHBondContact N-O 3.09Å; K597-H611 HydrophobicContact CD-CB 3.82Å; K597-H611 VanDerWaalsContact CE-CG 3.46Å; K597-H611 HydrophobicContact CG-CB 4.17Å; K597-H611 PolarHBondContact NZ-ND1 3.47Å; K597-D620 WeakPolarHBondContact CD-OD2 3.31Å; K597-D620 IonicContact NZ-OD1 3.73Å; K597-D620 IonicContact NZ-OD2 3.67Å; K597-D620 PolarHBondContact NZ-OD2 3.47Å
598	S	92.3	Very high	90.9	Very high	48 Å²	48	72.5 Å²	72.5	34%	0.336	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.8	178.3	-168	0	0	0	0	111	I596 Y608 L609	I596-S598 WeakPolarHBondContact CG2-O 3.23Å; S598-Y608 CarbonylContact O-C 3.32Å; S598-Y608 WeakPolarHBondContact O-CA 3.2Å; S598-L609 PolarHBondContact O-N 3.41Å
599	T	93.9	Very high	91.8	Very high	52 Å²	52	69.2 Å²	69.2	32%	0.319	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.6	173.7	-52	0	0	0	0	108.7	V606 L607 Y608	T599-V606 HydrophobicContact CG2-CG1 3.47Å; T599-V606 VanDerWaalsContact CG2-CG1 3.47Å; T599-L607 CarbonylContact C-O 3.59Å; T599-L607 WeakPolarHBondContact CA-O 3.43Å; T599-Y608 HydrophobicContact CG2-CD1 3.73Å; T599-Y608 HydrophobicContact CG2-CE1 3.54Å; T599-Y608 WeakPolarHBondContact OG1-CD1 3.22Å
600	E	92.8	Very high	92.3	Very high	108 Å²	108	64.7 Å²	64.7	51%	0.505	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.1	-178.8	-173.5	161.9	-157.3	0	0	109.3	L607 W622	E600-L607 PolarHBondContact N-O 3.36Å; E600-L607 PolarHBondContact O-N 3.13Å; E600-L607 VanDerWaalsContact O-O 3.13Å; E600-W622 HydrophobicContact CB-CE3 4.43Å; E600-W622 HydrophobicContact CB-CH2 3.55Å; E600-W622 HydrophobicContact CB-CZ2 4.36Å; E600-W622 HydrophobicContact CB-CZ3 3.6Å; E600-W622 WeakPolarHBondContact OE2-CZ2 3.32Å
601	I	92.4	Very high	92.5	Very high	116 Å²	116	60.2 Å²	60.2	60%	0.595	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	109.9	-178.4	-54	-179.5	0	0	0	108.4	E605 V606	I601-E605 WeakPolarHBondContact CA-O 3.4Å; I601-V606 HydrophobicContact CG1-CG2 4.4Å
602	D	86.4	Confident	92.6	Very high	101 Å²	101	55.7 Å²	55.7	54%	0.54	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.8	-175.8	-175.4	34.9	0	0	0	109.6	G604 E605 L607	D602-G604 PolarHBondContact O-N 3.25Å; D602-E605 PolarHBondContact N-O 3.16Å; D602-E605 PolarHBondContact O-N 3.19Å; D602-L607 HydrophobicContact CB-CD1 3.73Å; D602-L607 HydrophobicContact CB-CG 4.46Å
603	D	78.4	Confident	92.5	Very high	172 Å²	172	56.6 Å²	56.6	92%	0.92	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	22	-170.4	-86.5	-20.2	0	0	0	116
604	G	84.8	Confident	92.2	Very high	67 Å²	67	57.4 Å²	57.4	69%	0.691	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	3.8	-177.7	0	0	0	0	0	115.2	D602	D602-G604 PolarHBondContact O-N 3.25Å
605	E	88.1	Confident	92	Very high	103 Å²	103	61.5 Å²	61.5	48%	0.481	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.3	165.9	-66.3	-170	-165.1	0	0	110.9	I601 D602 K624	I601-E605 WeakPolarHBondContact CA-O 3.4Å; D602-E605 PolarHBondContact N-O 3.16Å; D602-E605 PolarHBondContact O-N 3.19Å; E605-K624 IonicContact OE1-NZ 2.65Å; E605-K624 VanDerWaalsContact OE2-CD 3.29Å; E605-K624 WeakPolarHBondContact OE2-CD 3.46Å; E605-K624 WeakPolarHBondContact OE2-CE 3.38Å; E605-K624 IonicContact OE2-NZ 3.46Å; E605-K624 PolarHBondContact OE2-NZ 3.32Å
606	V	91.1	Very high	91.7	Very high	49 Å²	49	65.7 Å²	65.7	30%	0.297	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122.4	179.7	-169.9	0	0	0	0	110.3	T599 I601 Y608	T599-V606 HydrophobicContact CG2-CG1 3.47Å; T599-V606 VanDerWaalsContact CG2-CG1 3.47Å; I601-V606 HydrophobicContact CG1-CG2 4.4Å; V606-Y608 HydrophobicContact CB-CE2 4.21Å; V606-Y608 HydrophobicContact CG1-CD2 4.35Å; V606-Y608 HydrophobicContact CG1-CE1 4.17Å; V606-Y608 HydrophobicContact CG1-CE2 3.67Å
607	L	93.7	Very high	91.5	Very high	25 Å²	25	69.9 Å²	69.9	13%	0.131	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.2	173.8	-62.6	176.2	0	0	0	109.9	T599 E600 D602 W622 K624	T599-L607 CarbonylContact C-O 3.59Å; T599-L607 WeakPolarHBondContact CA-O 3.43Å; E600-L607 PolarHBondContact N-O 3.36Å; E600-L607 PolarHBondContact O-N 3.13Å; E600-L607 VanDerWaalsContact O-O 3.13Å; D602-L607 HydrophobicContact CB-CD1 3.73Å; D602-L607 HydrophobicContact CB-CG 4.46Å; L607-W622 HydrophobicContact CB-CE3 3.78Å; L607-W622 HydrophobicContact CB-CZ3 4.37Å; L607-K624 HydrophobicContact CD2-CB 4.45Å; L607-K624 HydrophobicContact CD2-CG 3.46Å; L607-K624 VanDerWaalsContact CD2-CG 3.46Å
608	Y	95.5	Very high	91.2	Very high	25 Å²	25	75.3 Å²	75.3	10%	0.098	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.9	175.6	-58	-93.1	0	0	0	109.3	L574 I596 S598 T599 V606 V610 W622 V623 A625 I628 W630	L574-Y608 HydrophobicContact CD1-CE1 3.85Å; I596-Y608 HydrophobicContact CD1-CD1 3.81Å; I596-Y608 HydrophobicContact CD1-CE1 4.32Å; I596-Y608 HydrophobicContact CD1-CG 4.36Å; I596-Y608 HydrophobicContact CG1-CD1 4.38Å; I596-Y608 HydrophobicContact CG2-CD1 4.05Å; S598-Y608 CarbonylContact O-C 3.32Å; S598-Y608 WeakPolarHBondContact O-CA 3.2Å; T599-Y608 HydrophobicContact CG2-CD1 3.73Å; T599-Y608 HydrophobicContact CG2-CE1 3.54Å; T599-Y608 WeakPolarHBondContact OG1-CD1 3.22Å; V606-Y608 HydrophobicContact CB-CE2 4.21Å; V606-Y608 HydrophobicContact CG1-CD2 4.35Å; V606-Y608 HydrophobicContact CG1-CE1 4.17Å; V606-Y608 HydrophobicContact CG1-CE2 3.67Å; Y608-V610 PolarHBondContact O-N 3.36Å; Y608-W622 VanDerWaalsContact C-CE3 3.41Å; Y608-W622 WeakPolarHBondContact O-CA 3.06Å; Y608-V623 PolarHBondContact N-O 3.16Å; Y608-V623 PolarHBondContact O-N 3.38Å; Y608-A625 HydrophobicContact CE2-CB 4.05Å; Y608-I628 HydrophobicContact CD2-CD1 3.32Å; Y608-I628 HydrophobicContact CE2-CD1 4.03Å; Y608-I628 HydrophobicContact CG-CD1 3.61Å; Y608-W630 HydrophobicContact CE1-CH2 4.32Å; Y608-W630 HydrophobicContact CE1-CZ2 4.22Å
609	L	95.8	Very high	91.1	Very high	40 Å²	40	78.4 Å²	78.4	21%	0.209	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	110.8	171.7	-179.7	63.1	0	0	0	107	K597 S598 D620 W622	K597-L609 HydrophobicContact CB-CD2 4.25Å; K597-L609 HydrophobicContact CB-CG 4.33Å; K597-L609 PolarHBondContact N-O 3.09Å; S598-L609 PolarHBondContact O-N 3.41Å; L609-D620 HydrophobicContact CD1-CB 4.12Å; L609-W622 HydrophobicContact CB-CD2 3.9Å; L609-W622 HydrophobicContact CB-CE3 3.77Å; L609-W622 HydrophobicContact CB-CH2 3.82Å; L609-W622 HydrophobicContact CB-CZ2 3.94Å; L609-W622 HydrophobicContact CB-CZ3 3.72Å; L609-W622 HydrophobicContact CD1-CD2 4.29Å; L609-W622 HydrophobicContact CD1-CG 4.38Å; L609-W622 HydrophobicContact CD2-CZ2 4.41Å; L609-W622 VanDerWaalsContact N-CZ3 3.26Å
610	V	96.4	Very high	91.1	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.7	-177	-58.4	0	0	0	0	111.6	V581 A594 S595 I596 Y608 Y612 D620 E621 V623 I628	V581-V610 HydrophobicContact CG1-CG2 4.49Å; V581-V610 HydrophobicContact CG2-CB 4.33Å; V581-V610 HydrophobicContact CG2-CG1 4.11Å; V581-V610 HydrophobicContact CG2-CG2 4.22Å; A594-V610 HydrophobicContact CB-CB 4.11Å; S595-V610 CarbonylContact O-C 2.98Å; S595-V610 WeakPolarHBondContact O-CA 2.7Å; I596-V610 HydrophobicContact CG1-CG1 4.26Å; Y608-V610 PolarHBondContact O-N 3.36Å; V610-Y612 HydrophobicContact CG2-CE2 4.35Å; V610-D620 VanDerWaalsContact O-CA 3.29Å; V610-D620 WeakPolarHBondContact O-CA 3.44Å; V610-E621 HydrophobicContact CG2-CG 4.3Å; V610-E621 PolarHBondContact N-O 2.86Å; V610-E621 PolarHBondContact O-N 3.38Å; V610-V623 HydrophobicContact CG1-CB 4.36Å; V610-V623 HydrophobicContact CG2-CB 4.09Å; V610-V623 HydrophobicContact CG2-CG2 3.49Å; V610-V623 VanDerWaalsContact CG2-CG2 3.49Å; V610-I628 HydrophobicContact CG1-CD1 4.45Å
611	H	96.1	Very high	91.2	Very high	36 Å²	36	74.8 Å²	74.8	17%	0.167	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.7	175.7	175	63.1	0	0	0	109.8	A594 S595 K597 W615 D620	A594-H611 CarbonylContact C-O 3.58Å; A594-H611 WeakPolarHBondContact CA-O 3.31Å; A594-H611 VanDerWaalsContact CB-O 3.27Å; A594-H611 WeakPolarHBondContact CB-O 3.22Å; S595-H611 PolarHBondContact N-O 2.95Å; S595-H611 PolarHBondContact O-N 3.11Å; K597-H611 HydrophobicContact CD-CB 3.82Å; K597-H611 VanDerWaalsContact CE-CG 3.46Å; K597-H611 HydrophobicContact CG-CB 4.17Å; K597-H611 PolarHBondContact NZ-ND1 3.47Å; H611-W615 PolarHBondContact CE1-O 2.83Å; H611-W615 VanDerWaalsContact CE1-O 3.24Å; H611-D620 IonicContact CE1-OD1 3.25Å; H611-D620 IonicContact CG-OD1 2.71Å; H611-D620 IonicContact CG-OD2 3.42Å; H611-D620 IonicContact ND1-OD1 2.74Å; H611-D620 PolarHBondContact ND1-OD1 2.89Å; H611-D620 IonicContact ND1-OD2 2.7Å
612	Y	95.5	Very high	91.3	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.008	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.2	-178	-66	-78.5	0	0	0	111.7	V581 Y592 E593 A594 V610 G614 W615 E621 R627	V581-Y612 HydrophobicContact CB-CE1 3.84Å; V581-Y612 HydrophobicContact CG1-CE1 4.02Å; V581-Y612 WeakPolarHBondContact CG1-OH 3.47Å; Y592-Y612 HydrophobicContact CD2-CE1 4.41Å; Y592-Y612 HydrophobicContact CG-CD1 4.4Å; E593-Y612 WeakPolarHBondContact O-CA 3.44Å; A594-Y612 HydrophobicContact CB-CD1 3.94Å; A594-Y612 HydrophobicContact CB-CE1 4.41Å; A594-Y612 HydrophobicContact CB-CG 4.42Å; V610-Y612 HydrophobicContact CG2-CE2 4.35Å; Y612-G614 PolarHBondContact O-N 3.43Å; Y612-W615 HydrophobicContact CG-CD2 4.48Å; Y612-W615 WeakPolarHBondContact O-CB 3.31Å; Y612-W615 PolarHBondContact O-N 2.85Å; Y612-E621 HydrophobicContact CE2-CG 3.96Å; Y612-E621 WeakPolarHBondContact CE2-OE1 3.21Å; Y612-E621 PolarHBondContact OH-OE1 2.88Å; Y612-R627 PolarHBondContact OH-NH2 3.44Å
613	Y	93.1	Very high	91.7	Very high	84 Å²	84	69.3 Å²	69.3	33%	0.329	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	129.2	-180	-82	-77.3	0	0	0	111.1	K578 E593 W615	K578-Y613 HydrophobicContact CD-CE2 3.95Å; K578-Y613 WeakPolarHBondContact CE-OH 3.24Å; K578-Y613 HydrophobicContact CG-CE2 3.95Å; K578-Y613 WeakPolarHBondContact CG-OH 3.41Å; E593-Y613 HydrophobicContact CB-CD2 4.17Å; E593-Y613 HydrophobicContact CG-CD2 3.97Å; E593-Y613 HydrophobicContact CG-CE2 4.43Å; E593-Y613 PolarHBondContact O-N 2.76Å; Y613-W615 VanDerWaalsContact C-N 3.3Å; Y613-W615 VanDerWaalsContact O-CD1 3.32Å; Y613-W615 PolarHBondContact O-N 2.72Å
614	G	89.3	Confident	92.4	Very high	87 Å²	87	65.6 Å²	65.6	90%	0.897	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	4.6	-174.6	0	0	0	0	0	115.4	Y612	Y612-G614 PolarHBondContact O-N 3.43Å
615	W	91.1	Very high	92.7	Very high	86 Å²	86	64.7 Å²	64.7	33%	0.326	32%	0.324	S	S	.	.	S	Bend	trans	-104.1	149.7	178.2	-65.7	45.9	0	0	0	111.1	Y592 H611 Y612 Y613 Y619	Y592-W615 HydrophobicContact CD1-CZ2 4.14Å; Y592-W615 HydrophobicContact CD2-CZ2 4.5Å; Y592-W615 AromaticContact CE1-CZ2 3.87Å; Y592-W615 HydrophobicContact CE1-CZ2 3.87Å; Y592-W615 HydrophobicContact CE2-CH2 4.46Å; Y592-W615 HydrophobicContact CE2-CZ2 4.23Å; Y592-W615 HydrophobicContact CG-CZ2 4.44Å; Y592-W615 AromaticContact CZ-CZ2 3.9Å; H611-W615 PolarHBondContact CE1-O 2.83Å; H611-W615 VanDerWaalsContact CE1-O 3.24Å; Y612-W615 HydrophobicContact CG-CD2 4.48Å; Y612-W615 WeakPolarHBondContact O-CB 3.31Å; Y612-W615 PolarHBondContact O-N 2.85Å; Y613-W615 VanDerWaalsContact C-N 3.3Å; Y613-W615 VanDerWaalsContact O-CD1 3.32Å; Y613-W615 PolarHBondContact O-N 2.72Å; W615-Y619 HydrophobicContact CB-CD2 4.47Å; W615-Y619 HydrophobicContact CE3-CD1 4.3Å; W615-Y619 HydrophobicContact CE3-CD2 4.12Å; W615-Y619 AromaticContact CE3-CG 3.85Å; W615-Y619 HydrophobicContact CE3-CG 3.85Å; W615-Y619 HydrophobicContact CZ3-CD1 4.47Å; W615-Y619 HydrophobicContact CZ3-CG 4.46Å
616	N	90	Very high	92.8	Very high	103 Å²	103	65.5 Å²	65.5	55%	0.551	33%	0.331	S	S	*	.			trans	-69.5	140.8	176.3	-175.5	-75.5	0	0	0	111.1	R618 Y619	N616-R618 HydrophobicContact CB-CG 4.02Å; N616-R618 PolarHBondContact O-N 3.48Å; N616-R618 WeakPolarHBondContact OD1-CB 3.4Å; N616-R618 WeakPolarHBondContact OD1-CG 3.37Å; N616-R618 PolarHBondContact OD1-N 3.37Å; N616-R618 VanDerWaalsContact OD1-N 3.16Å; N616-Y619 HydrophobicContact CB-CD2 4.19Å; N616-Y619 HydrophobicContact CB-CE2 4.35Å; N616-Y619 WeakPolarHBondContact O-CB 3.36Å; N616-Y619 VanDerWaalsContact O-CD2 3.31Å; N616-Y619 WeakPolarHBondContact O-CD2 3.39Å; N616-Y619 PolarHBondContact O-N 2.94Å
617	V	91.4	Very high	92.9	Very high	90 Å²	90	65.9 Å²	65.9	55%	0.545	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-51.1	-22	-177.1	179.2	0	0	0	0	114.5	Y619 D620	V617-Y619 PolarHBondContact O-N 3.03Å; V617-Y619 VanDerWaalsContact O-N 3.07Å; V617-D620 WeakPolarHBondContact CA-OD1 3.19Å; V617-D620 WeakPolarHBondContact O-CB 3.34Å; V617-D620 VanDerWaalsContact O-CG 3.27Å; V617-D620 PolarHBondContact O-N 3.24Å; V617-D620 VanDerWaalsContact O-N 3.14Å
618	R	87.3	Confident	92.9	Very high	188 Å²	188	65.3 Å²	65.3	71%	0.709	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-60.2	-9.7	169.5	73.4	-178	-71.5	-172.9	-2.9	115.7	N616	N616-R618 HydrophobicContact CB-CG 4.02Å; N616-R618 PolarHBondContact O-N 3.48Å; N616-R618 WeakPolarHBondContact OD1-CB 3.4Å; N616-R618 WeakPolarHBondContact OD1-CG 3.37Å; N616-R618 PolarHBondContact OD1-N 3.37Å; N616-R618 VanDerWaalsContact OD1-N 3.16Å
619	Y	89.9	Confident	92.8	Very high	113 Å²	113	67 Å²	67	44%	0.443	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-107.6	6.1	179.3	-63.6	-71.1	0	0	0	112.7	W615 N616 V617 E621	W615-Y619 HydrophobicContact CB-CD2 4.47Å; W615-Y619 HydrophobicContact CE3-CD1 4.3Å; W615-Y619 HydrophobicContact CE3-CD2 4.12Å; W615-Y619 AromaticContact CE3-CG 3.85Å; W615-Y619 HydrophobicContact CE3-CG 3.85Å; W615-Y619 HydrophobicContact CZ3-CD1 4.47Å; W615-Y619 HydrophobicContact CZ3-CG 4.46Å; N616-Y619 HydrophobicContact CB-CD2 4.19Å; N616-Y619 HydrophobicContact CB-CE2 4.35Å; N616-Y619 WeakPolarHBondContact O-CB 3.36Å; N616-Y619 VanDerWaalsContact O-CD2 3.31Å; N616-Y619 WeakPolarHBondContact O-CD2 3.39Å; N616-Y619 PolarHBondContact O-N 2.94Å; V617-Y619 PolarHBondContact O-N 3.03Å; V617-Y619 VanDerWaalsContact O-N 3.07Å; Y619-E621 PolarHBondContact O-N 3.16Å
620	D	94.2	Very high	92.4	Very high	37 Å²	37	69.5 Å²	69.5	20%	0.198	34%	0.341	C	S	.	.			trans	-64.1	127.3	171.4	-65.8	16.5	0	0	0	109	K597 L609 V610 H611 V617	K597-D620 WeakPolarHBondContact CD-OD2 3.31Å; K597-D620 IonicContact NZ-OD1 3.73Å; K597-D620 IonicContact NZ-OD2 3.67Å; K597-D620 PolarHBondContact NZ-OD2 3.47Å; L609-D620 HydrophobicContact CD1-CB 4.12Å; V610-D620 VanDerWaalsContact O-CA 3.29Å; V610-D620 WeakPolarHBondContact O-CA 3.44Å; H611-D620 IonicContact CE1-OD1 3.25Å; H611-D620 IonicContact CG-OD1 2.71Å; H611-D620 IonicContact CG-OD2 3.42Å; H611-D620 IonicContact ND1-OD1 2.74Å; H611-D620 PolarHBondContact ND1-OD1 2.89Å; H611-D620 IonicContact ND1-OD2 2.7Å; V617-D620 WeakPolarHBondContact CA-OD1 3.19Å; V617-D620 WeakPolarHBondContact O-CB 3.34Å; V617-D620 VanDerWaalsContact O-CG 3.27Å; V617-D620 PolarHBondContact O-N 3.24Å; V617-D620 VanDerWaalsContact O-N 3.14Å
621	E	95.1	Very high	91.7	Very high	47 Å²	47	73.4 Å²	73.4	22%	0.22	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151.7	-178.8	51.4	160.4	155.9	0	0	112	Y583 V610 Y612 Y619 V623 R627	Y583-E621 WeakPolarHBondContact CD2-OE1 3.36Å; Y583-E621 WeakPolarHBondContact CE2-OE1 3.38Å; V610-E621 HydrophobicContact CG2-CG 4.3Å; V610-E621 PolarHBondContact N-O 2.86Å; V610-E621 PolarHBondContact O-N 3.38Å; Y612-E621 HydrophobicContact CE2-CG 3.96Å; Y612-E621 WeakPolarHBondContact CE2-OE1 3.21Å; Y612-E621 PolarHBondContact OH-OE1 2.88Å; Y619-E621 PolarHBondContact O-N 3.16Å; E621-V623 HydrophobicContact CB-CG2 4.41Å; E621-V623 HydrophobicContact CG-CG2 3.64Å; E621-R627 VanDerWaalsContact CD-NH2 3.33Å; E621-R627 IonicContact OE1-CZ 2.77Å; E621-R627 IonicContact OE1-NH1 2.77Å; E621-R627 IonicContact OE1-NH2 3.34Å; E621-R627 PolarHBondContact OE1-NH2 3.2Å; E621-R627 IonicContact OE2-CZ 2.78Å; E621-R627 IonicContact OE2-NH1 2.92Å; E621-R627 PolarHBondContact OE2-NH1 3.45Å; E621-R627 IonicContact OE2-NH2 2.76Å; E621-R627 PolarHBondContact OE2-NH2 2.96Å
622	W	95.1	Very high	90	Very high	102 Å²	102	79.9 Å²	79.9	39%	0.386	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.6	169.7	-74.9	108.2	0	0	0	110.1	E600 L607 Y608 L609	E600-W622 HydrophobicContact CB-CE3 4.43Å; E600-W622 HydrophobicContact CB-CH2 3.55Å; E600-W622 HydrophobicContact CB-CZ2 4.36Å; E600-W622 HydrophobicContact CB-CZ3 3.6Å; E600-W622 WeakPolarHBondContact OE2-CZ2 3.32Å; L607-W622 HydrophobicContact CB-CE3 3.78Å; L607-W622 HydrophobicContact CB-CZ3 4.37Å; Y608-W622 VanDerWaalsContact C-CE3 3.41Å; Y608-W622 WeakPolarHBondContact O-CA 3.06Å; L609-W622 HydrophobicContact CB-CD2 3.9Å; L609-W622 HydrophobicContact CB-CE3 3.77Å; L609-W622 HydrophobicContact CB-CH2 3.82Å; L609-W622 HydrophobicContact CB-CZ2 3.94Å; L609-W622 HydrophobicContact CB-CZ3 3.72Å; L609-W622 HydrophobicContact CD1-CD2 4.29Å; L609-W622 HydrophobicContact CD1-CG 4.38Å; L609-W622 HydrophobicContact CD2-CZ2 4.41Å; L609-W622 VanDerWaalsContact N-CZ3 3.26Å
623	V	93.9	Very high	88.1	Confident	0 Å²	0	87 Å²	87	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.7	-168	174.3	0	0	0	0	110.4	V581 Y608 V610 E621 R627 I628	V581-V623 HydrophobicContact CG1-CG1 3.86Å; V581-V623 HydrophobicContact CG1-CG2 4.4Å; Y608-V623 PolarHBondContact N-O 3.16Å; Y608-V623 PolarHBondContact O-N 3.38Å; V610-V623 HydrophobicContact CG1-CB 4.36Å; V610-V623 HydrophobicContact CG2-CB 4.09Å; V610-V623 HydrophobicContact CG2-CG2 3.49Å; V610-V623 VanDerWaalsContact CG2-CG2 3.49Å; E621-V623 HydrophobicContact CB-CG2 4.41Å; E621-V623 HydrophobicContact CG-CG2 3.64Å; V623-R627 HydrophobicContact CG1-CB 3.47Å; V623-R627 VanDerWaalsContact CG1-CB 3.47Å; V623-R627 HydrophobicContact CG1-CG 4.35Å; V623-I628 HydrophobicContact CG1-CD1 4.43Å; V623-I628 HydrophobicContact CG1-CG1 3.94Å
624	K	93.5	Very high	85.7	Confident	94 Å²	94	92.3 Å²	92.3	41%	0.409	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	149.7	175.2	-71.3	-176.3	177.2	-154.8	0	111.7	E605 L607 D626 R627	E605-K624 IonicContact OE1-NZ 2.65Å; E605-K624 VanDerWaalsContact OE2-CD 3.29Å; E605-K624 WeakPolarHBondContact OE2-CD 3.46Å; E605-K624 WeakPolarHBondContact OE2-CE 3.38Å; E605-K624 IonicContact OE2-NZ 3.46Å; E605-K624 PolarHBondContact OE2-NZ 3.32Å; L607-K624 HydrophobicContact CD2-CB 4.45Å; L607-K624 HydrophobicContact CD2-CG 3.46Å; L607-K624 VanDerWaalsContact CD2-CG 3.46Å; K624-D626 WeakPolarHBondContact CB-OD1 3.42Å; K624-D626 PolarHBondContact O-N 2.95Å; K624-R627 PolarHBondContact O-N 3.44Å; K624-R627 VanDerWaalsContact O-N 3.07Å
625	A	91.1	Very high	83.8	Confident	48 Å²	48	92.5 Å²	92.5	40%	0.397	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-54.1	-25.3	-177.6	0	0	0	0	0	115.3	Y608 I628	Y608-A625 HydrophobicContact CE2-CB 4.05Å; A625-I628 PolarHBondContact O-N 2.89Å
626	D	90.6	Very high	81.2	Confident	119 Å²	119	91.1 Å²	91.1	64%	0.636	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-72.7	-26.3	-180	72.6	-44.9	0	0	0	113.8	K624 I628	K624-D626 WeakPolarHBondContact CB-OD1 3.42Å; K624-D626 PolarHBondContact O-N 2.95Å; D626-I628 VanDerWaalsContact C-N 3.34Å
627	R	93	Very high	78.8	Confident	58 Å²	58	91.8 Å²	91.8	22%	0.219	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-79.2	-15.8	172.4	-73.1	179	61.8	-165.4	-6.2	112.6	K582 Y612 E621 V623 K624	K582-R627 WeakPolarHBondContact CB-O 3.32Å; K582-R627 PolarHBondContact N-O 2.97Å; K582-R627 PolarHBondContact O-NE 3.41Å; K582-R627 PolarHBondContact O-NH2 3.49Å; Y612-R627 PolarHBondContact OH-NH2 3.44Å; E621-R627 VanDerWaalsContact CD-NH2 3.33Å; E621-R627 IonicContact OE1-CZ 2.77Å; E621-R627 IonicContact OE1-NH1 2.77Å; E621-R627 IonicContact OE1-NH2 3.34Å; E621-R627 PolarHBondContact OE1-NH2 3.2Å; E621-R627 IonicContact OE2-CZ 2.78Å; E621-R627 IonicContact OE2-NH1 2.92Å; E621-R627 PolarHBondContact OE2-NH1 3.45Å; E621-R627 IonicContact OE2-NH2 2.76Å; E621-R627 PolarHBondContact OE2-NH2 2.96Å; V623-R627 HydrophobicContact CG1-CB 3.47Å; V623-R627 VanDerWaalsContact CG1-CB 3.47Å; V623-R627 HydrophobicContact CG1-CG 4.35Å; K624-R627 PolarHBondContact O-N 3.44Å; K624-R627 VanDerWaalsContact O-N 3.07Å
628	I	92.8	Very high	76.3	Confident	12 Å²	12	96.4 Å²	96.4	6%	0.062	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.5	-176.1	-53.6	-174.6	0	0	0	110.9	V579 V581 Y608 V610 V623 A625 D626 W630	V579-I628 HydrophobicContact CB-CG2 3.8Å; V579-I628 HydrophobicContact CG1-CG2 4.06Å; V579-I628 HydrophobicContact CG2-CG2 4.04Å; V581-I628 HydrophobicContact CG2-CG1 4.43Å; Y608-I628 HydrophobicContact CD2-CD1 3.32Å; Y608-I628 HydrophobicContact CE2-CD1 4.03Å; Y608-I628 HydrophobicContact CG-CD1 3.61Å; V610-I628 HydrophobicContact CG1-CD1 4.45Å; V623-I628 HydrophobicContact CG1-CD1 4.43Å; V623-I628 HydrophobicContact CG1-CG1 3.94Å; A625-I628 PolarHBondContact O-N 2.89Å; D626-I628 VanDerWaalsContact C-N 3.34Å; I628-W630 HydrophobicContact CG2-CD2 4.28Å; I628-W630 HydrophobicContact CG2-CG 4.49Å; I628-W630 HydrophobicContact CG2-CZ2 4.21Å
629	I	92.9	Very high	74	Confident	60 Å²	60	95.2 Å²	95.2	31%	0.308	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.4	168.8	-48.8	169.8	0	0	0	107	K580 K582 I591	K580-I629 HydrophobicContact CB-CB 4.12Å; K580-I629 PolarHBondContact N-O 2.92Å; K580-I629 WeakPolarHBondContact O-CA 3.46Å; K580-I629 WeakPolarHBondContact O-CB 3.42Å; K580-I629 WeakPolarHBondContact O-CG1 3.46Å; K580-I629 PolarHBondContact O-N 2.87Å; K582-I629 HydrophobicContact CD-CD1 4.46Å; K582-I629 HydrophobicContact CD-CG1 4.44Å; K582-I629 HydrophobicContact CG-CD1 4.01Å; K582-I629 HydrophobicContact CG-CG1 4.23Å; I591-I629 HydrophobicContact CD1-CD1 3.62Å; I591-I629 HydrophobicContact CG1-CD1 3.96Å; I591-I629 HydrophobicContact CG2-CD1 4.06Å
630	W	88.9	Confident	71.4	Confident	94 Å²	94	98.4 Å²	98.4	36%	0.356	52%	0.518	S	S	.	.			trans	-76.8	142.1	172.6	-60.9	90	0	0	0	110	L574 T577 V579 I596 Y608 I628 L632	L574-W630 HydrophobicContact CD1-CH2 4.07Å; L574-W630 HydrophobicContact CD2-CH2 4.47Å; T577-W630 HydrophobicContact CG2-CE3 4.35Å; T577-W630 HydrophobicContact CG2-CZ3 3.92Å; V579-W630 HydrophobicContact CG1-CD2 4.17Å; V579-W630 HydrophobicContact CG1-CE3 3.57Å; V579-W630 HydrophobicContact CG1-CH2 4.25Å; V579-W630 HydrophobicContact CG1-CZ3 3.62Å; I596-W630 HydrophobicContact CD1-CH2 3.32Å; I596-W630 HydrophobicContact CD1-CZ2 4.09Å; I596-W630 HydrophobicContact CD1-CZ3 3.85Å; Y608-W630 HydrophobicContact CE1-CH2 4.32Å; Y608-W630 HydrophobicContact CE1-CZ2 4.22Å; I628-W630 HydrophobicContact CG2-CD2 4.28Å; I628-W630 HydrophobicContact CG2-CG 4.49Å; I628-W630 HydrophobicContact CG2-CZ2 4.21Å; W630-L632 PolarHBondContact O-N 3.06Å
631	P	81.6	Confident	68.7	Low	82 Å²	82	106 Å²	106	53%	0.532	55%	0.552	S	S	.	*			trans	-54	138	169.4	-25	34.9	0	0	0	111.2
632	L	60.4	Low	65.8	Low	172 Å²	172	113.3 Å²	113.3	90%	0.901	58%	0.583	S	S	*	*	S	Bend	trans	-73.3	-28.7	-174.4	-86.4	158.6	0	0	0	113.3	W630	W630-L632 PolarHBondContact O-N 3.06Å
633	D	54.7	Low	62.9	Low	151 Å²	151	118.3 Å²	118.3	81%	0.807	61%	0.607	S	S	*	*	S	Bend	trans	-102.9	72.9	-179.7	-72.4	-55.5	0	0	0	112.6
634	K	43.7	Very low	60	Low	195 Å²	195	128.4 Å²	128.4	85%	0.848	65%	0.651	S	S	*	*	S	Bend	trans	-172.5	136.5	145.1	-97.4	146.4	-170.8	-179.2	0	108.8	G636	K634-G636 PolarHBondContact O-N 3.31Å
635	G	48.4	Very low	57.1	Low	92 Å²	92	128.8 Å²	128.8	95%	0.948	67%	0.672	S	S	*	*			trans	-76.8	90.7	-165.2	0	0	0	0	0	115.3
636	G	36.5	Very low	54.2	Low	56 Å²	56	135.6 Å²	135.6	58%	0.577	69%	0.693	S	S	*	*			trans	-81.5	152.7	168.1	0	0	0	0	0	114.1	K634 K638	K634-G636 PolarHBondContact O-N 3.31Å; G636-K638 PolarHBondContact O-N 2.99Å
637	P	40.7	Very low	51.3	Low	117 Å²	117	136.6 Å²	136.6	76%	0.76	70%	0.698	S	S	*	*			trans	-72.1	119.3	-169.9	27.4	-34.8	0	0	0	113.6	K639	P637-K639 PolarHBondContact O-N 3.09Å
638	K	37.7	Very low	48.4	Very low	187 Å²	187	142 Å²	142	81%	0.813	72%	0.723	S	S	*	*			trans	-74	83.4	174.3	-69.3	177.6	179.9	170	0	111.2	G636 K640	G636-K638 PolarHBondContact O-N 2.99Å; K638-K640 PolarHBondContact O-N 3.29Å
639	K	39.9	Very low	45.4	Very low	164 Å²	164	148.9 Å²	148.9	71%	0.713	76%	0.755	S	S	*	*			trans	-62.1	75.3	168.7	-77	-175.4	178.5	175.1	0	111.2	E571 P637 Q641	E571-K639 WeakPolarHBondContact OE1-CE 3.13Å; E571-K639 IonicContact OE1-NZ 2.65Å; E571-K639 PolarHBondContact OE1-NZ 3.23Å; E571-K639 IonicContact OE2-NZ 3.31Å; P637-K639 PolarHBondContact O-N 3.09Å; K639-Q641 PolarHBondContact O-N 3.38Å
640	K	35.8	Very low	42.3	Very low	180 Å²	180	152.6 Å²	152.6	78%	0.783	78%	0.776	S	S	*	*			trans	-69.9	109.7	177.2	-75.3	-179.4	177.2	175.7	0	110.8	K638 K642	K638-K640 PolarHBondContact O-N 3.29Å; K640-K642 PolarHBondContact O-N 3.09Å
641	Q	37.1	Very low	39.5	Very low	197 Å²	197	152 Å²	152	92%	0.921	79%	0.785	S	S	*	*			trans	-63.3	110.1	164.7	-76.8	-168.1	-9.1	0	0	110.7	K639 K643	K639-Q641 PolarHBondContact O-N 3.38Å; Q641-K643 PolarHBondContact O-N 2.86Å
642	K	33.6	Very low	37.3	Very low	199 Å²	199	155.4 Å²	155.4	87%	0.865	79%	0.794	S	S	*	*			trans	-84.8	86.3	-172.7	-169.6	175.6	-175.9	175	0	111.8	K640	K640-K642 PolarHBondContact O-N 3.09Å
643	K	35.2	Very low	35.9	Very low	207 Å²	207	154.1 Å²	154.1	90%	0.9	78%	0.782	S	S	*	*			trans	-62.2	142.3	164.1	-98.7	-179.6	178.3	172.9	0	110.3	Q641	Q641-K643 PolarHBondContact O-N 2.86Å
644	K	32.6	Very low	34.8	Very low	213 Å²	213	153.2 Å²	153.2	93%	0.926	78%	0.776	S	S	*	*			trans	-94.3	111.1	-157	-172.2	176.7	-176	174.7	0	112
645	A	31.5	Very low	34.2	Very low	102 Å²	102	150.4 Å²	150.4	84%	0.843	77%	0.766	S	S	*	*			trans	-138.6	163.5	173.4	0	0	0	0	0	111.8
646	K	31.5	Very low	33.5	Very low	191 Å²	191	153 Å²	153	83%	0.83	75%	0.751	S	S	*	*			trans	-92.1	149.6	-162.1	-84.3	-178.4	175.7	177.8	0	115.3
647	N	29.9	Very low	33.4	Very low	140 Å²	140	159.9 Å²	159.9	75%	0.749	76%	0.76	S	S	*	*			trans	74.6	121.3	137.3	-72	17.4	0	0	0	122.6
648	K	31.6	Very low	32.9	Very low	170 Å²	170	159.2 Å²	159.2	74%	0.739	75%	0.75	S	S	*	*				90.3	120.4	118.7	-165.9	169.5	-163.6	-164.3	0	120.1
649	E	29.1	Very low	32.7	Very low	158 Å²	158	158 Å²	158	74%	0.738	75%	0.747	S	S	*	*			trans	23.2	142.9	135.5	-77	165.1	148.1	0	0	119.1
650	D	28.7	Very low	32.5	Very low	138 Å²	138	155.7 Å²	155.7	74%	0.738	74%	0.739	S	S	*	*			cis	-167	176.1	19	-162.5	15.5	0	0	0	113.1
651	S	29.5	Very low	32.5	Very low	80 Å²	80	155.3 Å²	155.3	56%	0.559	73%	0.733	S	S	*	*			trans	34.8	126	143.9	56.6	0	0	0	0	125.2
652	E	34.5	Very low	32.5	Very low	154 Å²	154	152.5 Å²	152.5	72%	0.72	72%	0.72	S	S	*	*				73	132.1	125.8	-68.1	-148.3	147.5	0	0	126.5
653	K	32	Very low	32.6	Very low	146 Å²	146	150.7 Å²	150.7	64%	0.635	71%	0.712	S	S	*	*			trans	75.2	120.9	131.3	-75.7	-164.6	-179.4	82.5	0	125.2
654	D	30.6	Very low	32.9	Very low	131 Å²	131	144.9 Å²	144.9	70%	0.701	70%	0.697	S	S	*	*				71.3	137.4	122.7	-73	-46.5	0	0	0	126.4
655	E	32.2	Very low	33.3	Very low	136 Å²	136	142.9 Å²	142.9	64%	0.636	69%	0.689	S	S	*	*			trans	69.8	117.7	136	-70.2	-92.8	90.5	0	0	124.1
656	K	34	Very low	33.6	Very low	146 Å²	146	149.9 Å²	149.9	64%	0.635	69%	0.693	S	S	*	*			trans	69.5	113.2	130.4	-82.7	-174.4	-179	76.5	0	123.9
657	R	32.9	Very low	33.6	Very low	201 Å²	201	144.5 Å²	144.5	76%	0.758	69%	0.692	S	S	*	*				84.9	140.2	114.4	-89.7	-178.4	165.3	-110.5	4.2	124.4
658	D	31.5	Very low	33.8	Very low	103 Å²	103	149.7 Å²	149.7	55%	0.551	70%	0.701	S	S	*	*			trans	85.2	116.1	135.9	-63	-14.2	0	0	0	124.7
659	E	32.5	Very low	33.9	Very low	161 Å²	161	146.9 Å²	146.9	75%	0.752	70%	0.7	S	S	*	*				78.3	122.2	128.7	-70.8	-156	132.8	0	0	125
660	E	36.5	Very low	34.3	Very low	116 Å²	116	144.9 Å²	144.9	54%	0.542	70%	0.701	S	S	.	*				67	153.6	129.9	-64.3	-141.8	130.1	0	0	120.9
661	R	35.6	Very low	34.8	Very low	173 Å²	173	145.8 Å²	145.8	65%	0.653	71%	0.705	S	S	*	*			cis	-165.1	169.4	0.7	-130	178.8	-169.6	144.6	10	113.7
662	Q	37.9	Very low	35.1	Very low	138 Å²	138	151.4 Å²	151.4	65%	0.645	72%	0.719	S	S	*	*			trans	72.8	152.6	147.2	-75.3	-170.6	83.3	0	0	119.2
663	K	35.8	Very low	34.8	Very low	160 Å²	160	148.6 Å²	148.6	70%	0.696	72%	0.717	S	S	*	*			cis	167.2	162	-14	-104.5	-178.9	-152.7	148.7	0	104.3
664	S	40.1	Very low	34.6	Very low	86 Å²	86	148.1 Å²	148.1	60%	0.601	73%	0.726	S	S	*	*			cis	-163.8	-139.6	-4.3	40.4	0	0	0	0	107
665	K	42.1	Very low	34.6	Very low	171 Å²	171	148.9 Å²	148.9	74%	0.743	73%	0.729	S	S	*	*			cis	-172.8	151.8	8.9	-138.9	164.6	-153.6	166.2	0	110.5
666	R	37.7	Very low	34.6	Very low	249 Å²	249	146.6 Å²	146.6	94%	0.94	73%	0.728	S	S	*	*			trans	74.2	142.9	167.5	-54.1	175.6	173.1	-174.4	-2.6	116.5
667	G	32.1	Very low	34.2	Very low	78 Å²	78	141.8 Å²	141.8	80%	0.804	71%	0.713	S	S	*	*			cis	-170.3	164.7	-6.2	0	0	0	0	0	108.6
668	R	32.4	Very low	34.1	Very low	249 Å²	249	139.4 Å²	139.4	94%	0.94	72%	0.716	S	S	*	*			cis	-147.5	179.8	35.9	-117.2	-160.7	155.7	-175.2	-5.5	110.6
669	P	33.3	Very low	34.4	Very low	110 Å²	110	141.5 Å²	141.5	71%	0.714	72%	0.724	S	S	*	*			trans	-136.2	-142.9	-135.6	40.2	-13.4	0	0	0	114.7
670	P	39.3	Very low	35.2	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	71%	0.713	S	S	*	*				-139.7	-168.2	-102.7	46.8	-26.5	0	0	0	117.6
671	L	37.6	Very low	35.3	Very low	158 Å²	158	142.9 Å²	142.9	83%	0.827	73%	0.729	S	S	*	*			trans	-41.1	154.2	177.5	-57.9	168	0	0	0	120.2
672	K	36.3	Very low	35.3	Very low	198 Å²	198	138 Å²	138	86%	0.861	73%	0.733	S	S	*	*			trans	-155.1	159.6	149.9	-94.5	-158.7	165.9	-170.9	0	110.7
673	S	27.7	Very low	35.1	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	75%	0.748	S	S	*	*			cis	-171.5	63	-31.7	55.5	0	0	0	0	113.3
674	T	28.2	Very low	35.6	Very low	135 Å²	135	138 Å²	138	83%	0.828	75%	0.752	S	S	*	*			trans	-129.9	146.6	158	42.9	0	0	0	0	109.4
675	L	32.1	Very low	35.1	Very low	148 Å²	148	143.5 Å²	143.5	78%	0.775	77%	0.766	S	S	*	*			cis	-151.7	-164	-27.2	-131.5	179	0	0	0	107.5	S677	L675-S677 VanDerWaalsContact C-N 3.33Å; L675-S677 PolarHBondContact O-N 2.86Å
676	S	30.8	Very low	34.9	Very low	87 Å²	87	141.9 Å²	141.9	61%	0.608	77%	0.77	S	S	*	*			trans	-55	87.4	176.3	-146.4	0	0	0	0	113.4
677	S	26.6	Very low	34.6	Very low	46 Å²	46	134.4 Å²	134.4	32%	0.322	76%	0.762	S	S	.	*				-41.2	140	121.7	59.8	0	0	0	0	108.7	L675 M679 P680	L675-S677 VanDerWaalsContact C-N 3.33Å; L675-S677 PolarHBondContact O-N 2.86Å; S677-M679 VanDerWaalsContact C-SD 3.52Å; S677-M679 WeakPolarHBondContact O-CE 3.14Å; S677-P680 WeakPolarHBondContact OG-CD 3.1Å
678	N	30.1	Very low	34.3	Very low	151 Å²	151	138 Å²	138	81%	0.807	76%	0.762	S	S	*	*	S	Bend	cis	52.4	70.9	5.9	-71.2	10.5	0	0	0	114.5
679	M	37.5	Very low	34	Very low	147 Å²	147	130.7 Å²	130.7	72%	0.724	75%	0.749	S	S	*	*	S	Bend		-116.5	152.1	-68	-82.1	-69.2	170.8	0	0	106.1	S677	S677-M679 VanDerWaalsContact C-SD 3.52Å; S677-M679 WeakPolarHBondContact O-CE 3.14Å
680	P	50.3	Low	33.6	Very low	82 Å²	82	135 Å²	135	53%	0.532	76%	0.76	S	S	.	*			trans	-84.1	163.6	-161.3	36.3	-34.4	0	0	0	112.3	S677	S677-P680 WeakPolarHBondContact OG-CD 3.1Å
681	Y	37.5	Very low	33	Very low	224 Å²	224	133.3 Å²	133.3	88%	0.878	76%	0.764	S	S	*	*			cis	-157.3	160.6	33.4	-113.4	-73.2	0	0	0	112.1
682	G	35.3	Very low	32.5	Very low	70 Å²	70	135 Å²	135	72%	0.722	77%	0.765	S	S	*	*			trans	-171.3	167.3	171.2	0	0	0	0	0	114.2
683	L	35.5	Very low	31.9	Very low	183 Å²	183	130.3 Å²	130.3	96%	0.958	76%	0.756	S	S	*	*			trans	-127.6	162.7	-171.5	-111.7	108.2	0	0	0	115.4
684	S	45.5	Very low	31.8	Very low	114 Å²	114	132.3 Å²	132.3	80%	0.797	76%	0.759	S	S	*	*			trans	-154.3	163.9	-178	62.6	0	0	0	0	114.3
685	K	28.8	Very low	31.9	Very low	203 Å²	203	130.8 Å²	130.8	88%	0.883	76%	0.755	S	S	*	*			trans	-168.5	155.4	158.9	-137.3	-176.9	-179.7	-171	0	114.1
686	T	39.4	Very low	31.5	Very low	136 Å²	136	129.7 Å²	129.7	83%	0.834	76%	0.758	S	S	*	*			trans	-151.2	162.3	174.9	50.4	0	0	0	0	112
687	A	31.1	Very low	31.3	Very low	92 Å²	92	129.8 Å²	129.8	76%	0.76	76%	0.759	S	S	*	*			trans	148.4	147.5	137.7	0	0	0	0	0	116.4
688	N	25	Very low	31.3	Very low	153 Å²	153	132.2 Å²	132.2	82%	0.818	78%	0.776	S	S	*	*			trans	81.6	123.5	157.8	-89.1	22	0	0	0	124.6
689	S	26.9	Very low	31.3	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	77%	0.772	S	S	*	*			trans	62.4	129.3	135.6	62.4	0	0	0	0	123.6
690	E	23.8	Very low	31	Very low	201 Å²	201	128.7 Å²	128.7	94%	0.939	77%	0.767	S	S	*	*			trans	55.1	117.6	150.7	-62.2	-172.9	113.2	0	0	119.9
691	G	27	Very low	30	Very low	80 Å²	80	130.5 Å²	130.5	83%	0.825	77%	0.768	S	S	*	*			trans	177.4	103.3	170.3	0	0	0	0	0	115.3
692	K	27.9	Very low	29.6	Very low	195 Å²	195	125 Å²	125	85%	0.848	76%	0.758	S	S	*	*			trans	-48.7	160.5	171.9	-57	166	173.5	175.6	0	115.2
693	S	24.1	Very low	29.5	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	76%	0.762	S	S	*	*			trans	64.5	150	138.2	62.1	0	0	0	0	119
694	D	24.1	Very low	29.2	Very low	137 Å²	137	128.2 Å²	128.2	73%	0.733	75%	0.754	S	S	*	*			cis	-158.7	157.5	-17.1	-121.7	-68.5	0	0	0	111
695	S	30	Very low	28.5	Very low	104 Å²	104	126.6 Å²	126.6	73%	0.727	75%	0.747	S	S	*	*			trans	0.9	115.6	142.6	-44.4	0	0	0	0	119.3
696	C	25.4	Very low	28.7	Very low	125 Å²	125	124.5 Å²	124.5	85%	0.845	75%	0.745	S	S	*	*				-170.1	165.5	127.1	64.1	0	0	0	0	108.8
697	S	24.8	Very low	28.3	Very low	89 Å²	89	125 Å²	125	62%	0.622	74%	0.738	S	S	*	*			cis	-163.3	149.5	23.6	62.4	0	0	0	0	113.9
698	S	28.4	Very low	28.2	Very low	97 Å²	97	127.9 Å²	127.9	68%	0.678	73%	0.733	S	S	*	*				70.7	151.9	127.8	-68.9	0	0	0	0	120.6
699	D	28.6	Very low	28.2	Very low	135 Å²	135	127.3 Å²	127.3	72%	0.722	73%	0.73	S	S	*	*			cis	-167.1	172.8	-12.3	-116	-45.5	0	0	0	111.4
700	S	30.9	Very low	28.2	Very low	89 Å²	89	129.7 Å²	129.7	62%	0.622	73%	0.734	S	S	*	*			trans	24.6	152.6	136.7	87	0	0	0	0	121.6
701	E	30.6	Very low	28.2	Very low	119 Å²	119	127.1 Å²	127.1	56%	0.556	73%	0.726	S	S	*	*			cis	-175.5	157.4	1.7	-119.7	172.9	-178.4	0	0	109.2	K578	K578-E701 IonicContact NZ-OE2 3.51Å; K578-E701 PolarHBondContact NZ-OE2 2.78Å
702	T	28.9	Very low	28	Very low	109 Å²	109	128.9 Å²	128.9	67%	0.669	72%	0.716	S	S	*	*			trans	0.9	154.7	141.9	61.8	0	0	0	0	120.8
703	E	31.9	Very low	27.9	Very low	171 Å²	171	127.7 Å²	127.7	80%	0.799	71%	0.714	S	S	*	*			cis	-176.1	-178.6	-1.9	-108	-51.7	137.2	0	0	110.5
704	D	29.6	Very low	28	Very low	150 Å²	150	131 Å²	131	80%	0.802	72%	0.718	S	S	*	*			trans	89.4	159.2	150.7	-131.1	-31.8	0	0	0	120.6
705	A	32	Very low	28	Very low	79 Å²	79	131.8 Å²	131.8	65%	0.653	72%	0.722	S	S	*	*			trans	-135.3	-172.1	-146.8	0	0	0	0	0	117.7
706	L	33.2	Very low	27.6	Very low	160 Å²	160	132.5 Å²	132.5	84%	0.838	73%	0.727	S	S	*	*			trans	144.1	136.4	135.5	-72	-171.7	0	0	0	118.3
707	E	29.9	Very low	27.5	Very low	146 Å²	146	134.1 Å²	134.1	68%	0.682	73%	0.726	S	S	*	*			trans	85.8	119.9	146.5	-79.2	-161.6	139.1	0	0	126.1
708	K	29.1	Very low	27.5	Very low	153 Å²	153	138.2 Å²	138.2	67%	0.665	73%	0.733	S	S	*	*				101.6	90.5	129.7	-74.8	166.2	177.5	145.7	0	124.4
709	N	25.5	Very low	27.4	Very low	140 Å²	140	141 Å²	141	75%	0.749	74%	0.74	S	S	*	*				76.3	131.1	115.8	-85.2	-80.4	0	0	0	125.2
710	L	25.8	Very low	27.2	Very low	146 Å²	146	142.6 Å²	142.6	76%	0.764	74%	0.743	S	S	*	*			trans	83.2	106.5	136	-81.8	166.9	0	0	0	122.5
711	I	25.2	Very low	27	Very low	147 Å²	147	146 Å²	146	75%	0.754	75%	0.753	S	S	*	*				177.6	141.5	97.7	-100.7	163	0	0	0	116.2
712	N	22.9	Very low	26.9	Very low	118 Å²	118	147.2 Å²	147.2	63%	0.631	76%	0.759	S	S	*	*			trans	51.1	122.1	157.7	-74.7	45.7	0	0	0	126.8
713	E	25.6	Very low	26.9	Very low	170 Å²	170	149.1 Å²	149.1	79%	0.794	76%	0.758	S	S	*	*				68.3	131.3	121.9	-70.1	-177.7	131.6	0	0	125.7
714	E	24.7	Very low	26.7	Very low	167 Å²	167	147.5 Å²	147.5	78%	0.78	76%	0.755	S	S	*	*			trans	97.9	99.7	138.3	-153.9	164	-158.8	0	0	121.4
715	L	24.8	Very low	26.5	Very low	154 Å²	154	148.3 Å²	148.3	81%	0.806	75%	0.754	S	S	*	*			trans	34.6	122.6	138.3	-52.8	172.4	0	0	0	120.6
716	S	21.7	Very low	26.2	Very low	118 Å²	118	151.5 Å²	151.5	83%	0.825	76%	0.76	S	S	*	*				176.1	152.4	96.1	-174.6	0	0	0	0	113.5
717	L	24.3	Very low	26	Very low	159 Å²	159	151 Å²	151	83%	0.832	76%	0.757	S	S	*	*			trans	-70.1	153.8	167.3	-64.7	153.3	0	0	0	112.1
718	K	24.4	Very low	25.8	Very low	175 Å²	175	150.7 Å²	150.7	76%	0.761	76%	0.76	S	S	*	*				-176.9	138.9	119.4	-106.9	177.7	168.7	-154.6	0	115.9	E720	K718-E720 IonicContact NZ-OE2 3.39Å; K718-E720 PolarHBondContact NZ-OE2 2.96Å
719	D	25.1	Very low	25.6	Very low	156 Å²	156	150.1 Å²	150.1	83%	0.834	77%	0.765	S	S	*	*			trans	-72.9	151.8	145.4	-69.2	-67.9	0	0	0	110.3
720	E	24.6	Very low	25.7	Very low	169 Å²	169	148.7 Å²	148.7	79%	0.79	76%	0.757	S	S	*	*			trans	-155.8	144.4	149	-130.1	167.2	118.7	0	0	111.8	K718	K718-E720 IonicContact NZ-OE2 3.39Å; K718-E720 PolarHBondContact NZ-OE2 2.96Å
721	L	26.2	Very low	25.9	Very low	159 Å²	159	149 Å²	149	83%	0.832	75%	0.752	S	S	*	*			trans	-128.4	109.1	-179.3	-154.1	172.2	0	0	0	109.8
722	E	28.4	Very low	26.1	Very low	146 Å²	146	148.7 Å²	148.7	68%	0.682	75%	0.751	S	S	*	*			trans	33.3	127.2	166	-63.5	-147.8	128.8	0	0	123.8
723	K	30	Very low	26.3	Very low	149 Å²	149	149.5 Å²	149.5	65%	0.648	76%	0.756	S	S	*	*			trans	97.4	90.9	130.4	-79.3	174.5	173.7	98.6	0	122.6
724	N	26.9	Very low	26.4	Very low	137 Å²	137	150 Å²	150	73%	0.733	76%	0.758	S	S	*	*				74.2	117.8	116.8	-63.6	20.4	0	0	0	123.6
725	E	25.9	Very low	26.6	Very low	167 Å²	167	148.4 Å²	148.4	78%	0.78	75%	0.751	S	S	*	*			trans	72.7	84.8	134.5	-62.3	-167.5	112.3	0	0	123.3
726	N	26.2	Very low	26.6	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	75%	0.746	S	S	*	*				39.7	118.7	107.6	-68.2	-39.3	0	0	0	121.5
727	L	28.6	Very low	27.6	Very low	149 Å²	149	146.5 Å²	146.5	78%	0.78	74%	0.737	S	S	*	*				173.2	120.7	100.1	-95.5	167.8	0	0	0	114.2
728	N	25	Very low	27.9	Very low	140 Å²	140	148.6 Å²	148.6	75%	0.749	74%	0.74	S	S	*	*			trans	60.5	160.7	153	-59.5	-2.6	0	0	0	118.7
729	D	25	Very low	27.9	Very low	142 Å²	142	148.3 Å²	148.3	76%	0.759	75%	0.745	S	S	*	*			cis	-149.4	163	18.7	-149.3	-7.9	0	0	0	114.8
730	D	28.5	Very low	27.8	Very low	109 Å²	109	146 Å²	146	58%	0.583	74%	0.741	S	S	*	*			trans	40.9	110.4	158	-120.6	22.4	0	0	0	125.1
731	K	29.4	Very low	27.8	Very low	152 Å²	152	142.2 Å²	142.2	66%	0.661	74%	0.739	S	S	*	*				87.7	134.7	118.7	-100.4	-173.9	-155.2	75.7	0	125.3
732	L	29.3	Very low	27.7	Very low	142 Å²	142	143.1 Å²	143.1	74%	0.743	74%	0.738	S	S	*	*			trans	67.3	145.3	151.5	-57.2	171.2	0	0	0	118.7
733	D	26.9	Very low	27.7	Very low	134 Å²	134	142.4 Å²	142.4	72%	0.717	74%	0.738	S	S	*	*			cis	154.6	137.1	-31	-97.1	-45.3	0	0	0	107.4
734	E	28.9	Very low	27.6	Very low	180 Å²	180	142.6 Å²	142.6	84%	0.841	75%	0.745	S	S	*	*			trans	60.7	154.7	160.6	-69.6	-170.5	134.3	0	0	118.9
735	E	28.9	Very low	27.5	Very low	135 Å²	135	144.7 Å²	144.7	63%	0.631	75%	0.748	S	S	*	*			cis	-152.6	142.9	0.4	-129.8	-143.6	119.9	0	0	110
736	N	24.2	Very low	27.5	Very low	131 Å²	131	143.2 Å²	143.2	70%	0.701	74%	0.741	S	S	*	*				42.5	-172.6	121.4	-93.6	-25.6	0	0	0	122.8
737	P	43.5	Very low	27.5	Very low	100 Å²	100	143.6 Å²	143.6	65%	0.649	74%	0.743	S	S	*	*			cis	-130.8	-176.2	-40.3	34.1	-17.8	0	0	0	114.2
738	K	30	Very low	27.2	Very low	203 Å²	203	142.9 Å²	142.9	88%	0.883	74%	0.74	S	S	*	*			trans	-51.8	153.2	161.6	-58.8	142.4	-178.2	165	0	113
739	I	25.2	Very low	27.3	Very low	170 Å²	170	145.6 Å²	145.6	87%	0.872	74%	0.739	S	S	*	*			trans	-118.4	146.1	164.4	-64.9	179.6	0	0	0	110.4
740	S	22.9	Very low	27.4	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	73%	0.73	S	S	*	*			trans	-129	174.5	179.4	61.8	0	0	0	0	111.2
741	A	24.7	Very low	27.2	Very low	90 Å²	90	145.5 Å²	145.5	74%	0.744	74%	0.738	S	S	*	*			trans	73.3	159.1	168.5	0	0	0	0	0	116.6
742	H	23.9	Very low	27	Very low	177 Å²	177	145.4 Å²	145.4	82%	0.819	74%	0.743	S	S	*	*			cis	-148.4	179.1	-1.6	-152	-102.4	0	0	0	114.5
743	I	27.4	Very low	26.5	Very low	132 Å²	132	146.5 Å²	146.5	68%	0.677	75%	0.745	S	S	*	*			trans	-120.5	154.3	-168.8	-75.7	166.7	0	0	0	110.1
744	L	27.9	Very low	26.7	Very low	153 Å²	153	144.9 Å²	144.9	80%	0.801	74%	0.742	S	S	*	*			cis	-164	163.2	-24.5	-99.6	-179.3	0	0	0	107.6
745	K	26	Very low	26.4	Very low	181 Å²	181	142.7 Å²	142.7	79%	0.787	74%	0.735	S	S	*	*			trans	-154.4	152.6	155.2	-94.3	-154	173.6	-131.3	0	111.1
746	E	26	Very low	26.1	Very low	135 Å²	135	143.7 Å²	143.7	63%	0.631	74%	0.74	S	S	*	*			cis	177.9	113.8	-25.2	169.1	175.8	-146.3	0	0	106.3
747	N	24.8	Very low	26.2	Very low	153 Å²	153	142.2 Å²	142.2	82%	0.818	74%	0.735	S	S	*	*			trans	160.3	109.9	147.7	-90.6	-61.4	0	0	0	113.6
748	D	22.5	Very low	25.2	Very low	135 Å²	135	144 Å²	144	72%	0.722	74%	0.738	S	S	*	*			trans	34.3	141.2	132.7	-138.8	13.4	0	0	0	124.3
749	R	27.3	Very low	25	Very low	196 Å²	196	141.9 Å²	141.9	74%	0.74	73%	0.729	S	S	*	*			trans	69	147.2	155.5	-71.9	167.6	75.1	146	4.2	118.9
750	T	26.5	Very low	24.9	Very low	93 Å²	93	140 Å²	140	57%	0.571	72%	0.72	S	S	*	*			cis	-158	151.6	2.2	0.6	0	0	0	0	113.1
751	Q	24.7	Very low	25	Very low	157 Å²	157	142.4 Å²	142.4	73%	0.734	72%	0.72	S	S	*	*			trans	65.1	132.9	136.4	-77	172.6	6.2	0	0	124.4
752	L	25	Very low	24.9	Very low	149 Å²	149	144.4 Å²	144.4	78%	0.78	72%	0.723	S	S	*	*				79.8	137.2	127.6	-70.6	169.8	0	0	0	122.8
753	Q	20.1	Very low	25	Very low	165 Å²	165	139.3 Å²	139.3	77%	0.771	72%	0.718	S	S	*	*			trans	-43.4	173.6	142	-87.8	-172.6	-5	0	0	114.2
754	P	30.4	Very low	25	Very low	101 Å²	101	140.9 Å²	140.9	66%	0.656	72%	0.722	S	S	*	*			cis	-134.7	-156.6	18	30.6	-5.9	0	0	0	114.4
755	L	22.3	Very low	25	Very low	134 Å²	134	139.2 Å²	139.2	70%	0.702	71%	0.714	S	S	*	*			trans	-30.2	170.8	140.1	-50	73.8	0	0	0	113.2
756	E	23.3	Very low	25	Very low	156 Å²	156	138.5 Å²	138.5	73%	0.729	71%	0.714	S	S	*	*				173.3	163.3	67.7	-130.4	172	-165.9	0	0	106.1
757	T	25	Very low	25.3	Very low	99 Å²	99	139.3 Å²	139.3	61%	0.607	72%	0.717	S	S	*	*			cis	-159.5	156.3	33.5	11.3	0	0	0	0	110.3
758	L	24.4	Very low	25.4	Very low	137 Å²	137	138.6 Å²	138.6	72%	0.717	71%	0.712	S	S	*	*				33	151.4	129.4	-55.7	176.4	0	0	0	120.7
759	K	25.1	Very low	25.8	Very low	159 Å²	159	139.1 Å²	139.1	69%	0.691	72%	0.72	S	S	*	*			cis	-156.9	150.4	16.9	-124.8	164.1	172.2	-152.5	0	105.8
760	L	23.5	Very low	25.7	Very low	130 Å²	130	137 Å²	137	68%	0.681	72%	0.719	S	S	*	*			cis	65.6	89.5	41.7	-162.8	169	0	0	0	113.8	V762	L760-V762 HydrophobicContact CD2-CG2 4.38Å
761	E	23.5	Very low	25.8	Very low	159 Å²	159	138.8 Å²	138.8	74%	0.743	72%	0.723	S	S	*	*			trans	-156.3	128	138.4	-101.9	151	-151	0	0	104.5
762	V	23.5	Very low	25.8	Very low	132 Å²	132	139.7 Å²	139.7	80%	0.8	73%	0.725	S	S	*	*				64	114.6	62.4	-179.2	0	0	0	0	110.5	L760	L760-V762 HydrophobicContact CD2-CG2 4.38Å
763	G	26.5	Very low	25.8	Very low	70 Å²	70	135.7 Å²	135.7	72%	0.722	72%	0.72	S	S	*	*			trans	172.2	56.6	-173.2	0	0	0	0	0	116.4
764	E	27.8	Very low	26.1	Very low	164 Å²	164	133.8 Å²	133.8	77%	0.766	72%	0.715	S	S	*	*			trans	50.6	124.2	135	-72.6	-170.2	-170.7	0	0	123.7
765	N	27.6	Very low	26.1	Very low	119 Å²	119	137.2 Å²	137.2	64%	0.636	72%	0.72	S	S	*	*				79.8	106.7	127.5	-56	-15.7	0	0	0	121.2
766	E	26.4	Very low	26.4	Very low	165 Å²	165	138.1 Å²	138.1	77%	0.771	72%	0.722	S	S	*	*				7	144.8	119.5	-52.5	-176.6	146	0	0	117.5
767	Q	31	Very low	26.5	Very low	152 Å²	152	137.5 Å²	137.5	71%	0.71	72%	0.719	S	S	*	*				-172.7	144.4	82	-94.5	169.4	25.2	0	0	114.4
768	I	27.9	Very low	26.5	Very low	139 Å²	139	140.7 Å²	140.7	71%	0.713	73%	0.727	S	S	*	*			trans	64.9	130	138.2	-63.2	169.1	0	0	0	116.4
769	V	30.2	Very low	26.6	Very low	145 Å²	145	137.7 Å²	137.7	88%	0.879	72%	0.722	S	S	*	*			cis	-118.3	145.3	38.6	177.6	0	0	0	0	113.7
770	Q	25.6	Very low	26.6	Very low	152 Å²	152	138.8 Å²	138.8	71%	0.71	73%	0.73	S	S	*	*			trans	-139.8	116.8	-171.3	-172.2	-175.1	20.3	0	0	113.3
771	I	27.8	Very low	26.7	Very low	131 Å²	131	139.5 Å²	139.5	67%	0.672	73%	0.73	S	S	*	*			trans	53.3	158.9	138.9	-42.6	168.3	0	0	0	120.4
772	F	25.5	Very low	26.9	Very low	175 Å²	175	136.5 Å²	136.5	77%	0.768	72%	0.722	S	S	*	*			trans	91.5	139.4	163.4	-66.8	-82.7	0	0	0	118.2
773	G	25.6	Very low	27.2	Very low	66 Å²	66	138 Å²	138	68%	0.68	72%	0.718	S	S	*	*			cis	155	-172.5	-10.3	0	0	0	0	0	115.2
774	N	26	Very low	27.5	Very low	124 Å²	124	143 Å²	143	66%	0.663	72%	0.72	S	S	*	*			trans	77.8	117.9	161.3	-66.7	-44.3	0	0	0	122.6
775	K	29.6	Very low	27.4	Very low	174 Å²	174	142.3 Å²	142.3	76%	0.757	72%	0.717	S	S	*	*				65.9	167.3	119.8	-59.8	-178.8	-179.1	-175.1	0	122.7
776	M	28	Very low	27.5	Very low	153 Å²	153	141.1 Å²	141.1	75%	0.754	72%	0.723	S	S	*	*			trans	79.2	150.1	147.4	-81.7	154.3	70.6	0	0	118.3
777	E	26.3	Very low	27.6	Very low	143 Å²	143	140.6 Å²	140.6	67%	0.668	72%	0.72	S	S	*	*			cis	-160.1	-158	-19.3	-132	-171.8	140.1	0	0	113.8
778	Q	24.8	Very low	27.5	Very low	165 Å²	165	142 Å²	142	77%	0.771	72%	0.724	S	S	*	*			trans	-54.9	177.7	176	-52.5	172.3	65	0	0	114.1
779	A	26.1	Very low	27.4	Very low	74 Å²	74	140.9 Å²	140.9	61%	0.612	73%	0.728	S	S	*	*			cis	-170.4	175.4	30.3	0	0	0	0	0	114.5
780	E	26	Very low	28.1	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	72%	0.721	S	S	*	*			trans	64.3	148.8	141.4	-82.9	180	154.7	0	0	122.4
781	E	25.9	Very low	28.2	Very low	146 Å²	146	141.8 Å²	141.8	68%	0.682	73%	0.73	S	S	*	*			cis	-160.7	-179.6	-10.7	-154.4	-135.8	139	0	0	111.7
782	V	27.3	Very low	28.4	Very low	95 Å²	95	139.2 Å²	139.2	58%	0.576	74%	0.735	S	S	*	*			trans	82.4	93.6	159.6	-172	0	0	0	0	122.4
783	K	30.5	Very low	28.7	Very low	165 Å²	165	141.1 Å²	141.1	72%	0.717	74%	0.743	S	S	*	*				59.3	117	125.7	-59.2	173	-169.5	129.6	0	124.4
784	K	32.3	Very low	28.8	Very low	174 Å²	174	141.8 Å²	141.8	76%	0.757	75%	0.751	S	S	*	*				99.1	138.7	119.3	-89.1	-178.8	154.9	-125.6	0	123.5
785	E	24.8	Very low	29.2	Very low	150 Å²	150	148 Å²	148	70%	0.701	77%	0.765	S	S	*	*			trans	82.1	90.4	148.6	-78.1	163.7	-135.3	0	0	123
786	A	29.1	Very low	29.3	Very low	93 Å²	93	151.2 Å²	151.2	77%	0.769	77%	0.772	S	S	*	*				73.4	121.8	118.4	0	0	0	0	0	123.2
787	E	29	Very low	29.5	Very low	154 Å²	154	149.7 Å²	149.7	72%	0.72	78%	0.776	S	S	*	*			trans	44.9	109.8	147	-63.1	-160.3	155.9	0	0	121.8
788	K	28.8	Very low	29.9	Very low	183 Å²	183	152.3 Å²	152.3	80%	0.796	79%	0.785	S	S	*	*				177.4	149.8	99.4	-99.9	135.9	-164.6	139	0	114.4
789	S	26.1	Very low	30	Very low	114 Å²	114	151.5 Å²	151.5	80%	0.797	79%	0.792	S	S	*	*			trans	-90.8	177.1	173.4	-53.5	0	0	0	0	111.4
790	P	45.2	Very low	30.6	Very low	111 Å²	111	156.8 Å²	156.8	72%	0.721	80%	0.801	S	S	*	*			cis	-133.5	-165.2	-29.4	27.8	-4.9	0	0	0	112.6
791	K	26.8	Very low	30.5	Very low	205 Å²	205	154.4 Å²	154.4	89%	0.891	79%	0.794	S	S	*	*			trans	75.8	124.9	164	-60.1	178.7	178.5	176	0	117.3
792	G	33.8	Very low	31	Very low	77 Å²	77	154.4 Å²	154.4	79%	0.794	80%	0.798	S	S	*	*			trans	-97	137.1	163.1	0	0	0	0	0	112.2
793	K	30.5	Very low	30.9	Very low	215 Å²	215	155.2 Å²	155.2	94%	0.935	81%	0.808	S	S	*	*			trans	-160.1	116.5	157.9	-124.6	-171.4	-176.3	-172.2	0	112.2
794	G	27.9	Very low	31.2	Very low	81 Å²	81	154.6 Å²	154.6	84%	0.835	81%	0.812	S	S	*	*			trans	77	152.4	153.8	0	0	0	0	0	119.1
795	R	34.5	Very low	30.9	Very low	253 Å²	253	155 Å²	155	96%	0.955	82%	0.817	S	S	*	*			trans	-116.2	149.2	153.6	-102.7	-171.3	170.1	-149	-2	109.5
796	R	32.7	Very low	31.1	Very low	243 Å²	243	155.4 Å²	155.4	92%	0.917	82%	0.822	S	S	*	*			trans	-89.6	-177.6	173.5	-66.6	173.8	164.7	169.3	-6.5	108.4
797	S	30.4	Very low	31	Very low	120 Å²	120	158.9 Å²	158.9	84%	0.839	83%	0.826	S	S	*	*			cis	-163.1	170	29.8	40.4	0	0	0	0	114.5
798	K	34.9	Very low	30.9	Very low	198 Å²	198	159.7 Å²	159.7	86%	0.861	83%	0.827	S	S	*	*			trans	-83.3	156.3	-178.1	-46.1	173.2	178.5	-176.8	0	113.4
799	T	28.3	Very low	30.9	Very low	148 Å²	148	157.8 Å²	157.8	91%	0.908	82%	0.824	S	S	*	*			trans	-158.1	171.9	133	12	0	0	0	0	111.2
800	K	38.1	Very low	30.8	Very low	186 Å²	186	156.7 Å²	156.7	81%	0.809	82%	0.816	S	S	*	*			trans	-96.3	-176	-178.7	-50.6	-178.4	178.4	-177.6	0	110.9
801	D	24.6	Very low	29.9	Very low	132 Å²	132	156.5 Å²	156.5	71%	0.706	82%	0.818	S	S	*	*			cis	-158.8	-169.9	25.1	-132.8	-55.2	0	0	0	114.2
802	L	34.8	Very low	29.8	Very low	146 Å²	146	156.5 Å²	156.5	76%	0.764	82%	0.818	S	S	*	*			trans	-87.2	151.9	-160.2	-89	70.2	0	0	0	120.9
803	S	26.8	Very low	29.4	Very low	111 Å²	111	155.7 Å²	155.7	78%	0.776	81%	0.809	S	S	*	*				-170.5	132.4	129.8	46.5	0	0	0	0	109.3
804	L	35.7	Very low	29.2	Very low	152 Å²	152	153.8 Å²	153.8	80%	0.796	80%	0.804	S	S	*	*				70.1	139.3	60.3	-62.3	178.5	0	0	0	113.6
805	E	26.1	Very low	29.2	Very low	184 Å²	184	156.6 Å²	156.6	86%	0.86	80%	0.8	S	S	*	*			cis	-149.9	-174.8	27	-161.4	165.3	-149.2	0	0	114.1
806	I	28.6	Very low	28.8	Very low	157 Å²	157	153.3 Å²	153.3	81%	0.805	80%	0.795	S	S	*	*			trans	-117.2	141.4	-171	-66.9	169	0	0	0	113.2
807	I	28.6	Very low	28.6	Very low	167 Å²	167	146.3 Å²	146.3	86%	0.856	79%	0.79	S	S	*	*			trans	-165.1	157.4	162.4	-108	150.7	0	0	0	110.7
808	K	26.8	Very low	28.3	Very low	171 Å²	171	143.7 Å²	143.7	74%	0.743	78%	0.781	S	S	*	*			cis	-175.7	150.6	-39	-159.8	-168.9	175	-176.1	0	109.9
809	I	28.3	Very low	27.8	Very low	142 Å²	142	140.1 Å²	140.1	73%	0.728	78%	0.782	S	S	*	*			trans	69.7	165	169.3	-35.3	-179	0	0	0	114.5
810	S	23.1	Very low	27.8	Very low	91 Å²	91	142.1 Å²	142.1	64%	0.636	78%	0.781	S	S	*	*				-168.4	171.1	-85.7	72.2	0	0	0	0	109.9
811	S	26.9	Very low	27.9	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	77%	0.774	S	S	*	*			trans	72	165.1	158.5	-56.2	0	0	0	0	118.7
812	F	24	Very low	27.8	Very low	204 Å²	204	139.7 Å²	139.7	90%	0.895	78%	0.776	S	S	*	*			cis	-174.5	159.6	-39.7	-153.5	-99.7	0	0	0	108.9
813	G	26.8	Very low	27.4	Very low	60 Å²	60	138.5 Å²	138.5	62%	0.619	77%	0.77	S	S	*	*			trans	82.5	144.2	176.1	0	0	0	0	0	114.3
814	Q	26.3	Very low	27.3	Very low	176 Å²	176	142 Å²	142	82%	0.822	77%	0.773	S	S	*	*			cis	91	124.4	27.5	-73.1	-155.5	-54.3	0	0	117.5
815	N	26.7	Very low	26.9	Very low	140 Å²	140	139 Å²	139	75%	0.749	77%	0.771	S	S	*	*			trans	24.9	125.2	150.5	-55.9	4.4	0	0	0	121.6
816	E	27.1	Very low	26.8	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	77%	0.772	S	S	*	*				-168.1	145.2	107.9	-102.1	-176.3	129.2	0	0	109.5
817	A	28.6	Very low	26.7	Very low	97 Å²	97	138.6 Å²	138.6	80%	0.802	77%	0.765	S	S	*	*				43.5	136	95.8	0	0	0	0	0	115.4
818	G	23.6	Very low	26.7	Very low	64 Å²	64	137.6 Å²	137.6	66%	0.66	76%	0.761	S	S	*	*			cis	170.9	-164	0.5	0	0	0	0	0	111.4
819	S	24.7	Very low	26.7	Very low	124 Å²	124	136.6 Å²	136.6	87%	0.867	76%	0.759	S	S	*	*			trans	64	113.3	171.2	61.2	0	0	0	0	120.3
820	E	28.3	Very low	26.8	Very low	190 Å²	190	137.4 Å²	137.4	89%	0.888	76%	0.764	S	S	*	*			trans	-81.9	158.7	144.2	-177.6	-172.6	-121.3	0	0	109.1
821	P	38.6	Very low	26.9	Very low	102 Å²	102	137.9 Å²	137.9	66%	0.662	77%	0.768	S	S	*	*			trans	-150.4	150	134.6	36	-19.3	0	0	0	117.5
822	H	23.6	Very low	26.8	Very low	164 Å²	164	137.6 Å²	137.6	76%	0.759	77%	0.765	S	S	*	*			trans	67.8	154	144.7	-88.3	-117.4	0	0	0	121.4
823	I	26.6	Very low	27	Very low	122 Å²	122	134.5 Å²	134.5	63%	0.626	76%	0.757	S	S	*	*			cis	-170	171.3	-38	-135.7	160.3	0	0	0	109.8
824	E	24	Very low	26.9	Very low	184 Å²	184	133.6 Å²	133.6	86%	0.86	74%	0.738	S	S	*	*			trans	66.6	149.6	167.7	-89.6	177.4	153.8	0	0	119
825	A	27.8	Very low	26.9	Very low	89 Å²	89	131.2 Å²	131.2	74%	0.736	73%	0.731	S	S	*	*				171	151.1	-54.3	0	0	0	0	0	108.7
826	R	24.6	Very low	27	Very low	238 Å²	238	131 Å²	131	90%	0.898	72%	0.724	S	S	*	*			trans	-162.7	113.1	156.8	-119.8	176	-173.7	-167.4	0.8	115.7
827	S	25.1	Very low	27	Very low	94 Å²	94	127.9 Å²	127.9	66%	0.657	71%	0.713	S	S	*	*			trans	64.7	117.3	136.3	-65.5	0	0	0	0	123.4
828	L	28.6	Very low	26.8	Very low	146 Å²	146	131.1 Å²	131.1	76%	0.764	71%	0.709	S	S	*	*				71.1	144.6	128.6	-56	173.1	0	0	0	119.8
829	E	27.2	Very low	26.9	Very low	150 Å²	150	133 Å²	133	70%	0.701	71%	0.712	S	S	*	*			cis	-171.4	132.7	-25.6	-125.7	-168.4	147.5	0	0	109.8
830	L	30.3	Very low	26.7	Very low	160 Å²	160	132.3 Å²	132.3	84%	0.838	71%	0.707	S	S	*	*			trans	51.5	163.1	151.7	-56.1	173.3	0	0	0	120.2
831	S	24.9	Very low	26.6	Very low	101 Å²	101	127.2 Å²	127.2	71%	0.706	70%	0.698	S	S	*	*			cis	-158.3	143.9	7.8	54.6	0	0	0	0	114.7
832	S	26.1	Very low	26	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	71%	0.706	S	S	*	*			trans	50.5	139.9	136.3	72	0	0	0	0	127.5
833	L	27	Very low	26.3	Very low	139 Å²	139	130 Å²	130	73%	0.728	71%	0.712	S	S	*	*			trans	85.2	155.2	135.9	-110.6	87.7	0	0	0	124.4	V443	V443-L833 HydrophobicContact CG2-CD1 4.02Å; V443-L833 HydrophobicContact CG2-CG 4.4Å
834	D	26.2	Very low	26.3	Very low	41 Å²	41	131.9 Å²	131.9	22%	0.219	72%	0.723	C	S	.	*			trans	-63.5	157	179.3	-62.1	-95.3	0	0	0	117.5	T441 E442	T441-D834 WeakPolarHBondContact CB-OD1 3.5Å; T441-D834 PolarHBondContact OG1-OD1 2.93Å; E442-D834 WeakPolarHBondContact CB-OD2 3.27Å; E442-D834 VanDerWaalsContact N-CG 3.35Å; E442-D834 PolarHBondContact N-OD1 2.86Å; E442-D834 PolarHBondContact N-OD2 3.14Å
835	N	25.1	Very low	26.9	Very low	126 Å²	126	132 Å²	132	67%	0.674	72%	0.724	S	S	*	*				179.9	143.7	108.3	-104	-88.9	0	0	0	116.5
836	K	29.3	Very low	26.9	Very low	136 Å²	136	135.9 Å²	135.9	59%	0.591	73%	0.73	S	S	*	*			trans	25.8	119.1	139.5	-69.7	174.3	179.8	162.2	0	123.3	P439	P439-K836 HydrophobicContact CB-CD 4.46Å; P439-K836 HydrophobicContact CB-CG 4.4Å
837	N	26.4	Very low	27.2	Very low	117 Å²	117	130.7 Å²	130.7	63%	0.626	72%	0.72	S	S	*	*				63.3	147.3	119.9	-83.4	-4	0	0	0	126.1
838	F	25.6	Very low	27.3	Very low	166 Å²	166	135 Å²	135	73%	0.728	73%	0.73	S	S	*	*			trans	71.2	109	153.8	-69.2	-56.1	0	0	0	122
839	S	24.2	Very low	27	Very low	103 Å²	103	133 Å²	133	72%	0.72	73%	0.727	S	S	*	*				143.9	151.6	88.3	-106.6	0	0	0	0	118.6
840	S	22.2	Very low	26.9	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	73%	0.73	S	S	*	*			trans	74.8	103.1	151.5	59.8	0	0	0	0	124.1
841	A	24.6	Very low	27	Very low	83 Å²	83	132.4 Å²	132.4	69%	0.686	73%	0.726	S	S	*	*				83.4	150.3	110.9	0	0	0	0	0	124.2
842	T	26.3	Very low	27.3	Very low	136 Å²	136	134.4 Å²	134.4	83%	0.834	72%	0.724	S	S	*	*			trans	72.6	156.2	166.2	70.5	0	0	0	0	116.9
843	E	29.6	Very low	27.8	Very low	189 Å²	189	137.1 Å²	137.1	88%	0.883	72%	0.723	S	S	*	*			cis	-134.9	178.4	10.8	-74.9	-174.6	124.5	0	0	113.7
844	D	28.2	Very low	27.8	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	73%	0.729	S	S	*	*			trans	-103.2	-172.4	-177.4	-97.2	-56.7	0	0	0	114.8
845	E	35.6	Very low	28	Very low	186 Å²	186	145 Å²	145	87%	0.869	76%	0.756	S	S	*	*			trans	-53	155.5	-179.5	-60.2	-175.5	102.3	0	0	117.4
846	I	29.1	Very low	28.2	Very low	170 Å²	170	147.4 Å²	147.4	87%	0.872	76%	0.76	S	S	*	*			trans	-132.2	128.1	150.3	-61.1	-175	0	0	0	112.6
847	D	29	Very low	28.5	Very low	130 Å²	130	152.5 Å²	152.5	70%	0.695	78%	0.776	S	S	*	*			trans	-81.6	160.9	-177.8	171.9	34.7	0	0	0	114.9
848	Q	27.3	Very low	28.7	Very low	184 Å²	184	155 Å²	155	86%	0.86	78%	0.781	S	S	*	*				178.8	176.7	129.5	-97.5	174.3	54.3	0	0	117.1
849	C	22.1	Very low	29.1	Very low	104 Å²	104	153.7 Å²	153.7	70%	0.703	78%	0.78	S	S	*	*			trans	-144.7	-177.6	-146.6	-176	0	0	0	0	114.6
850	V	26.1	Very low	29.1	Very low	125 Å²	125	156.5 Å²	156.5	76%	0.758	79%	0.786	S	S	*	*			trans	83.1	139.9	164.1	-173.8	0	0	0	0	116.9
851	K	31.8	Very low	29.3	Very low	172 Å²	172	154.1 Å²	154.1	75%	0.748	78%	0.779	S	S	*	*			cis	-176.9	165.7	-34.1	-114.2	173.9	-177	172.4	0	111.3
852	E	30.9	Very low	29.4	Very low	144 Å²	144	159.5 Å²	159.5	67%	0.673	79%	0.79	S	S	*	*			trans	78.6	152.4	159.6	-47	-133	147.5	0	0	120.5
853	K	37.2	Very low	29.4	Very low	158 Å²	158	158.5 Å²	158.5	69%	0.687	79%	0.789	S	S	*	*			cis	-169.2	140.3	-21.4	-105.3	-176.8	-164.7	140.3	0	112
854	K	27.8	Very low	29.1	Very low	197 Å²	197	155.4 Å²	155.4	86%	0.857	79%	0.788	S	S	*	*			trans	149.7	120.5	147	-84.9	158.1	-175.1	170.9	0	110.5
855	L	29.5	Very low	29.6	Very low	148 Å²	148	152.8 Å²	152.8	78%	0.775	78%	0.779	S	S	*	*				60.4	123.3	69.8	-75.6	167.9	0	0	0	114.3
856	K	30.3	Very low	29.1	Very low	177 Å²	177	150.6 Å²	150.6	77%	0.77	77%	0.769	S	S	*	*			cis	-138.1	-178.1	6	-53.8	88.9	178.7	177.7	0	108.2
857	R	35.2	Very low	29.4	Very low	242 Å²	242	150.7 Å²	150.7	91%	0.913	76%	0.763	S	S	*	*			cis	-162.1	175.3	10.5	-122.8	-177.7	-166.4	152.8	0.2	104.3
858	K	29.5	Very low	29.2	Very low	169 Å²	169	154.3 Å²	154.3	74%	0.735	77%	0.773	S	S	*	*			cis	-162	109.9	-9.4	176.4	-144.6	159.2	-167.9	0	104.4
859	I	34.2	Very low	29.2	Very low	139 Å²	139	152.9 Å²	152.9	71%	0.713	77%	0.769	S	S	*	*				49.8	113.2	99	-54.8	154.2	0	0	0	112.2
860	L	24.9	Very low	29.2	Very low	163 Å²	163	158.7 Å²	158.7	85%	0.853	78%	0.777	S	S	*	*				-152.1	145.7	61.1	-167.1	70.6	0	0	0	108.4
861	G	25.8	Very low	29.3	Very low	60 Å²	60	159.8 Å²	159.8	62%	0.619	78%	0.777	S	S	*	*			cis	118	129.3	16.5	0	0	0	0	0	109.4
862	Q	26.1	Very low	28.9	Very low	196 Å²	196	159.7 Å²	159.7	92%	0.916	78%	0.779	S	S	*	*			cis	-150.8	153.7	-1.6	-69.1	-175.6	-38.5	0	0	111.2
863	S	26.3	Very low	29	Very low	115 Å²	115	161 Å²	161	80%	0.804	79%	0.79	S	S	*	*			trans	-152.9	138.4	149.1	54.9	0	0	0	0	109.1
864	S	23.7	Very low	28.9	Very low	123 Å²	123	156.9 Å²	156.9	86%	0.86	79%	0.793	S	S	*	*			trans	-167.2	162.2	-176	-82.7	0	0	0	0	110.7
865	P	38.7	Very low	29.1	Very low	106 Å²	106	156.5 Å²	156.5	69%	0.688	80%	0.797	S	S	*	*			trans	-130.1	176.3	-138.7	43.6	-30	0	0	0	116.9
866	E	24.6	Very low	29	Very low	141 Å²	141	156.5 Å²	156.5	66%	0.659	79%	0.793	S	S	*	*			trans	55	121.6	140	-76.7	-179	114.9	0	0	124.1
867	K	36.7	Very low	29.2	Very low	172 Å²	172	157.7 Å²	157.7	75%	0.748	80%	0.803	S	S	*	*				79.6	152.6	128.4	-68.7	170.4	175.6	162.7	0	120.5
868	K	25	Very low	28.6	Very low	206 Å²	206	149.5 Å²	149.5	90%	0.896	78%	0.78	S	S	*	*			trans	65.6	147.1	-164.6	-57.5	-178.9	178.6	177.5	0	111.2
869	I	26.4	Very low	28.2	Very low	153 Å²	153	146.2 Å²	146.2	79%	0.785	77%	0.774	S	S	*	*			cis	-132.8	141.4	22	21.4	176	0	0	0	108.4
870	R	23.3	Very low	27.7	Very low	227 Å²	227	146.4 Å²	146.4	86%	0.857	78%	0.782	S	S	*	*				64.2	128.5	75.5	-163.4	-166.7	175.4	137.4	0.9	112.7
871	I	27.6	Very low	27.7	Very low	147 Å²	147	144.2 Å²	144.2	75%	0.754	78%	0.776	S	S	*	*			trans	101	123	174.2	-56.9	164.5	0	0	0	114.7
872	E	23.6	Very low	27.8	Very low	170 Å²	170	144.3 Å²	144.3	79%	0.794	77%	0.767	S	S	*	*			trans	61.7	129.4	151.1	-164.6	167.7	-165.3	0	0	122.3
873	N	31.5	Very low	28	Very low	171 Å²	171	140.6 Å²	140.6	91%	0.914	75%	0.749	S	S	*	*			trans	-165.6	113	139	-109.9	-6.8	0	0	0	109.3
874	G	35.7	Very low	28.4	Very low	72 Å²	72	140.8 Å²	140.8	74%	0.742	74%	0.737	S	S	*	*			trans	-101.3	-179.7	177.7	0	0	0	0	0	113.3
875	M	32.3	Very low	28.9	Very low	190 Å²	190	144.2 Å²	144.2	94%	0.936	73%	0.731	S	S	*	*			trans	-95.3	174.9	-172	-71.7	161	161.6	0	0	114.4
876	E	27.1	Very low	28.5	Very low	148 Å²	148	145 Å²	145	69%	0.692	74%	0.735	S	S	*	*			trans	88.6	128.1	167	-54.5	-145.4	148.1	0	0	120.3	T878	E876-T878 HydrophobicContact CB-CG2 4.39Å; E876-T878 PolarHBondContact O-N 3.4Å; E876-T878 VanDerWaalsContact O-N 3.11Å
877	M	33.9	Very low	28.7	Very low	202 Å²	202	142.6 Å²	142.6	100%	0.995	73%	0.734	S	S	*	*			trans	-77.8	78.6	169.4	-73.5	-176.6	168.4	0	0	110.8
878	T	23.3	Very low	28.2	Very low	69 Å²	69	141.7 Å²	141.7	42%	0.423	74%	0.737	S	S	.	*			trans	-132	149.8	168.6	71.7	0	0	0	0	108	E876 S882	E876-T878 HydrophobicContact CB-CG2 4.39Å; E876-T878 PolarHBondContact O-N 3.4Å; E876-T878 VanDerWaalsContact O-N 3.11Å; T878-S882 WeakPolarHBondContact CG2-O 3.49Å
879	T	21.6	Very low	28.2	Very low	100 Å²	100	137.3 Å²	137.3	61%	0.613	73%	0.731	S	S	*	*			cis	-145.9	141.2	24.8	65.8	0	0	0	0	111.5	V881	T879-V881 WeakPolarHBondContact CB-O 3.46Å; T879-V881 WeakPolarHBondContact CG2-O 3.43Å
880	T	23.3	Very low	28.3	Very low	144 Å²	144	138.3 Å²	138.3	88%	0.883	74%	0.736	S	S	*	*	S	Bend		-107.8	125.7	93.7	47.7	0	0	0	0	105.8
881	V	25.4	Very low	28.5	Very low	117 Å²	117	130.9 Å²	130.9	71%	0.709	73%	0.73	S	S	*	*	S	Bend	trans	76.8	116.6	-160.8	-171.8	0	0	0	0	113.6	T879	T879-V881 WeakPolarHBondContact CB-O 3.46Å; T879-V881 WeakPolarHBondContact CG2-O 3.43Å
882	S	27.1	Very low	28.6	Very low	62 Å²	62	128.8 Å²	128.8	43%	0.434	73%	0.729	S	S	.	*			trans	18.7	156.3	141.6	-57.5	0	0	0	0	122.5	T878	T878-S882 WeakPolarHBondContact CG2-O 3.49Å
883	Q	31.7	Very low	28.8	Very low	118 Å²	118	130 Å²	130	55%	0.551	73%	0.734	S	S	*	*			cis	-168.3	154.8	-4.6	-117.4	163.8	-99.2	0	0	112.7
884	E	33.7	Very low	28.7	Very low	118 Å²	118	125.2 Å²	125.2	55%	0.551	73%	0.726	S	S	*	*			trans	59.5	108.1	144.3	-76.3	-176.9	101.9	0	0	124.6
885	R	34.1	Very low	28.3	Very low	195 Å²	195	130.8 Å²	130.8	74%	0.736	74%	0.735	S	S	*	*				71.9	132.8	110.4	-77.6	-175.4	-176.7	148.6	8	123.1
886	T	29.5	Very low	28.1	Very low	123 Å²	123	132.2 Å²	132.2	76%	0.755	74%	0.736	S	S	*	*				40.7	150.3	125.9	73.4	0	0	0	0	120.9
887	S	28.9	Very low	27.9	Very low	91 Å²	91	135 Å²	135	64%	0.636	75%	0.746	S	S	*	*			cis	176.2	169.3	-1.2	44.3	0	0	0	0	108.2
888	D	26.3	Very low	27.4	Very low	152 Å²	152	133.5 Å²	133.5	81%	0.813	74%	0.74	S	S	*	*			trans	37.3	123.2	146.4	-63.9	-54	0	0	0	121.8
889	C	26.1	Very low	27.5	Very low	115 Å²	115	136.4 Å²	136.4	78%	0.777	75%	0.754	S	S	*	*			trans	-41.4	150.9	155.8	-44.2	0	0	0	0	114.8
890	I	27.2	Very low	27.6	Very low	174 Å²	174	141.7 Å²	141.7	89%	0.892	77%	0.768	S	S	*	*				-179.1	129	128	-95.1	152.1	0	0	0	111.6
891	G	28.1	Very low	27.7	Very low	71 Å²	71	142.4 Å²	142.4	73%	0.732	76%	0.762	S	S	*	*			trans	72.1	163.7	150.2	0	0	0	0	0	119.3
892	S	30.5	Very low	27.8	Very low	103 Å²	103	144.1 Å²	144.1	72%	0.72	76%	0.762	S	S	*	*			cis	-165.3	156.4	-15.2	-143.6	0	0	0	0	111.9
893	E	27.7	Very low	27.7	Very low	194 Å²	194	147.9 Å²	147.9	91%	0.907	77%	0.772	S	S	*	*			trans	64.4	161.9	159.7	-65.8	165.8	-156.5	0	0	118.8
894	G	28.8	Very low	27.3	Very low	72 Å²	72	150.9 Å²	150.9	74%	0.742	78%	0.784	S	S	*	*			trans	164.3	-53.2	170.2	0	0	0	0	0	118.3
895	M	27.2	Very low	27.2	Very low	189 Å²	189	152.2 Å²	152.2	93%	0.931	79%	0.79	S	S	*	*			trans	48.7	96.7	174	-60.4	179.1	116.8	0	0	118.8
896	K	28.1	Very low	27.1	Very low	219 Å²	219	152.1 Å²	152.1	95%	0.952	79%	0.79	S	S	*	*			trans	-155.3	146	148.2	-105.2	156.5	-171.2	174.5	0	109.3
897	K	22.9	Very low	27.1	Very low	208 Å²	208	154.3 Å²	154.3	90%	0.904	79%	0.791	S	S	*	*			trans	-105.6	133.7	-175.4	-70	-171.8	175.5	-170.1	0	112.3
898	L	24.7	Very low	26.9	Very low	169 Å²	169	155.4 Å²	155.4	89%	0.885	79%	0.79	S	S	*	*			trans	-169.4	159.9	133.5	-102.3	167.2	0	0	0	108.7
899	N	23.9	Very low	26.9	Very low	131 Å²	131	157 Å²	157	70%	0.701	79%	0.793	S	S	*	*			trans	-76.5	122.7	-177.9	-59.1	-27.1	0	0	0	109.3
900	F	24.5	Very low	27.1	Very low	210 Å²	210	155.1 Å²	155.1	92%	0.921	79%	0.793	S	S	*	*				80.4	105.2	83.1	-153.9	-87	0	0	0	111.9
901	E	25.5	Very low	26.9	Very low	159 Å²	159	155.2 Å²	155.2	74%	0.743	79%	0.792	S	S	*	*			trans	-146.3	138.3	-166.3	-176.6	174.3	167.5	0	0	109
902	Q	27	Very low	27.7	Very low	153 Å²	153	156.7 Å²	156.7	72%	0.715	79%	0.788	S	S	*	*			trans	6.4	136	139.8	-136.9	176.7	2.6	0	0	117.7
903	H	25.1	Very low	27.5	Very low	142 Å²	142	156.2 Å²	156.2	66%	0.657	79%	0.785	S	S	*	*				-179.1	162.6	95	-133.3	-88.6	0	0	0	114.7
904	F	23.3	Very low	27.5	Very low	180 Å²	180	154.3 Å²	154.3	79%	0.789	78%	0.781	S	S	*	*			trans	-111.8	152.7	168.9	-135.8	-90.4	0	0	0	109.5
905	E	31.8	Very low	27.3	Very low	147 Å²	147	156.9 Å²	156.9	69%	0.687	78%	0.782	S	S	*	*			trans	64.2	162.6	177.7	-44.2	-169.7	137.3	0	0	115.3
906	R	31.4	Very low	27.4	Very low	193 Å²	193	152 Å²	152	73%	0.728	77%	0.771	S	S	*	*			cis	-179	148.8	44	177.7	174.3	-64.5	140.7	9.8	111
907	E	29.3	Very low	27.2	Very low	168 Å²	168	150.4 Å²	150.4	79%	0.785	77%	0.767	S	S	*	*			trans	-167.9	149.2	146.5	-109.6	-175.6	-150.1	0	0	107.1
908	N	25.9	Very low	27.3	Very low	115 Å²	115	145.5 Å²	145.5	62%	0.615	76%	0.759	S	S	*	*			cis	-135.7	176.2	7.5	-106.6	-56.7	0	0	0	108.9
909	E	27	Very low	27.3	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	76%	0.755	S	S	*	*			cis	-157.3	159.7	17.6	-145.7	166	-123.8	0	0	110
910	G	28.6	Very low	27.4	Very low	76 Å²	76	146.8 Å²	146.8	78%	0.784	76%	0.761	S	S	*	*			trans	134	95.1	161.8	0	0	0	0	0	118.5
911	M	24.2	Very low	27.4	Very low	175 Å²	175	141.8 Å²	141.8	86%	0.862	75%	0.751	S	S	*	*			trans	-96.5	173.9	165	-85.5	-170.7	69.5	0	0	110.8
912	P	44.8	Very low	27.4	Very low	102 Å²	102	140.7 Å²	140.7	66%	0.662	75%	0.749	S	S	*	*			cis	-141	148.5	13.9	40.2	-20	0	0	0	118.9
913	S	26.1	Very low	27.3	Very low	94 Å²	94	141.4 Å²	141.4	66%	0.657	75%	0.752	S	S	*	*				74	140.8	128.4	74.4	0	0	0	0	125.2
914	L	27.4	Very low	27.4	Very low	154 Å²	154	141.6 Å²	141.6	81%	0.806	75%	0.753	S	S	*	*			trans	100.4	125	147.4	-59.7	-169.3	0	0	0	121.6
915	T	24.7	Very low	27.7	Very low	126 Å²	126	139.9 Å²	139.9	77%	0.773	75%	0.752	S	S	*	*			trans	64.8	102.9	148.5	49	0	0	0	0	122.1
916	A	29.1	Very low	27.4	Very low	85 Å²	85	138.7 Å²	138.7	70%	0.702	76%	0.755	S	S	*	*				80.1	129.4	112	0	0	0	0	0	122.6
917	E	24.7	Very low	27.2	Very low	187 Å²	187	133.7 Å²	133.7	87%	0.874	75%	0.75	S	S	*	*			trans	76.9	118.3	136.6	-76.3	-178.3	-173.3	0	0	123.5
918	S	25.1	Very low	27.3	Very low	104 Å²	104	133 Å²	133	73%	0.727	75%	0.746	S	S	*	*				88.5	149.6	126.3	-156.5	0	0	0	0	121.4
919	N	23.4	Very low	27.5	Very low	149 Å²	149	135.8 Å²	135.8	80%	0.797	75%	0.748	S	S	*	*			trans	-87.5	129.6	166.2	-61.3	-86.6	0	0	0	109.9
920	Q	26.5	Very low	27.3	Very low	178 Å²	178	134.2 Å²	134.2	83%	0.832	74%	0.739	S	S	*	*			trans	-174.2	141	148.9	-103.2	146.1	98.5	0	0	107.5
921	C	24.7	Very low	27.2	Very low	106 Å²	106	136.3 Å²	136.3	72%	0.716	73%	0.732	S	S	*	*			cis	84.7	125.4	26.3	-155	0	0	0	0	114.5
922	I	25.3	Very low	27.5	Very low	135 Å²	135	132.6 Å²	132.6	69%	0.692	72%	0.723	S	S	*	*			trans	84.9	126.5	162.1	-74.1	161.7	0	0	0	120
923	Q	25.2	Very low	27.8	Very low	169 Å²	169	133.1 Å²	133.1	79%	0.79	73%	0.727	S	S	*	*			trans	65.3	161.8	156.8	-76.7	161.1	23.9	0	0	120.7
924	Q	26.7	Very low	28.3	Very low	145 Å²	145	133 Å²	133	68%	0.678	73%	0.731	S	S	*	*			cis	167.5	127.9	-37.1	166.5	175.5	0.7	0	0	108.3
925	L	29.9	Very low	28.8	Very low	144 Å²	144	134.2 Å²	134.2	75%	0.754	73%	0.733	S	S	*	*			trans	62.6	152.8	175.7	-62	163.7	0	0	0	113
926	T	25.9	Very low	29.2	Very low	122 Å²	122	134.6 Å²	134.6	75%	0.748	73%	0.726	S	S	*	*			cis	-166.5	174.2	6.7	7.1	0	0	0	0	106.2
927	S	27.1	Very low	29.3	Very low	89 Å²	89	136 Å²	136	62%	0.622	73%	0.726	S	S	*	*			cis	-163.5	162.7	2.2	-132.6	0	0	0	0	110
928	E	31.5	Very low	29.6	Very low	154 Å²	154	132.5 Å²	132.5	72%	0.72	72%	0.717	S	S	*	*			trans	67.1	153.7	150.2	-74.5	-174.7	-157.3	0	0	119.2
929	R	29.1	Very low	29.8	Very low	172 Å²	172	134.5 Å²	134.5	65%	0.649	72%	0.72	S	S	*	*			cis	-161.1	158.6	13.3	-135.3	167.3	-176.9	-149.5	-9.4	114.9
930	F	23.8	Very low	30.4	Very low	153 Å²	153	134.9 Å²	134.9	67%	0.671	72%	0.72	S	S	*	*			trans	72.8	150.5	148.3	-68.8	-33.9	0	0	0	122.7
931	D	25.5	Very low	31.5	Very low	119 Å²	119	131.1 Å²	131.1	64%	0.636	71%	0.711	S	S	*	*			cis	-172	149.1	-34.6	-141.6	-29.4	0	0	0	114.1
932	S	30.3	Very low	32.4	Very low	98 Å²	98	132.9 Å²	132.9	69%	0.685	71%	0.713	S	S	*	*			trans	56.7	168.1	138.8	-82.8	0	0	0	0	124.6
933	P	51	Low	32.9	Very low	113 Å²	113	133.1 Å²	133.1	73%	0.734	71%	0.708	S	S	*	*			cis	-144.5	-178.8	-26.2	38	-18.5	0	0	0	117.9
934	A	38.1	Very low	33.7	Very low	90 Å²	90	131.3 Å²	131.3	74%	0.744	70%	0.7	S	S	*	*			trans	76	144	142.4	0	0	0	0	0	122.1
935	E	36.9	Very low	34.5	Very low	181 Å²	181	130.3 Å²	130.3	85%	0.846	70%	0.699	S	S	*	*			cis	-166.2	172.9	-12.1	-92.8	-127.6	68.9	0	0	107.3
936	E	32.8	Very low	35.1	Very low	134 Å²	134	131.2 Å²	131.2	63%	0.626	70%	0.7	S	S	*	*			cis	-115.9	-110.9	7.2	-164.5	-165.6	109.5	0	0	110.1	V938	E936-V938 VanDerWaalsContact OE1-CB 3.25Å; E936-V938 WeakPolarHBondContact OE1-CB 3.4Å; E936-V938 VanDerWaalsContact OE1-CG2 3.23Å; E936-V938 WeakPolarHBondContact OE1-CG2 3.4Å
937	T	32.8	Very low	35.7	Very low	114 Å²	114	132.5 Å²	132.5	70%	0.699	70%	0.702	S	S	*	*			cis	-160.5	140.2	-9.9	-27	0	0	0	0	104.9
938	V	30	Very low	36.4	Very low	113 Å²	113	131.8 Å²	131.8	69%	0.685	70%	0.702	S	S	*	*			cis	90.2	122.9	31.1	161.1	0	0	0	0	114.3	E936	E936-V938 VanDerWaalsContact OE1-CB 3.25Å; E936-V938 WeakPolarHBondContact OE1-CB 3.4Å; E936-V938 VanDerWaalsContact OE1-CG2 3.23Å; E936-V938 WeakPolarHBondContact OE1-CG2 3.4Å
939	N	30	Very low	36.2	Very low	147 Å²	147	132.5 Å²	132.5	79%	0.786	71%	0.707	S	S	*	*			cis	-169.1	-178.2	-11.4	-160.7	-9.4	0	0	0	111.9
940	I	35	Very low	37.5	Very low	156 Å²	156	129.7 Å²	129.7	80%	0.8	71%	0.711	S	S	*	*			trans	91.3	139.1	165.1	-74.5	171	0	0	0	119
941	P	50.9	Low	38.3	Very low	100 Å²	100	129.7 Å²	129.7	65%	0.649	72%	0.717	S	S	*	*			trans	-142.1	-164.1	-136.4	37.8	-14	0	0	0	119.2
942	L	42.4	Very low	38.6	Very low	143 Å²	143	132.3 Å²	132.3	75%	0.749	73%	0.729	S	S	*	*			trans	84.9	144	174.4	-79.4	72.5	0	0	0	116.8
943	K	36.9	Very low	38.7	Very low	139 Å²	139	130.4 Å²	130.4	60%	0.604	73%	0.725	S	S	*	*			cis	-155	134.9	-1.8	-106.5	-171.6	179.8	-76.7	0	109.3
944	E	41.7	Very low	39.6	Very low	132 Å²	132	131.1 Å²	131.1	62%	0.617	73%	0.73	S	S	*	*				76.2	145.2	99.1	-63.5	179.5	-168.4	0	0	117.7
945	D	42.8	Very low	39.2	Very low	123 Å²	123	135.2 Å²	135.2	66%	0.658	73%	0.733	S	S	*	*			cis	-168.9	163	-11.6	-101.7	-15.1	0	0	0	114.6
946	E	42.3	Very low	38.7	Very low	164 Å²	164	131.2 Å²	131.2	77%	0.766	72%	0.722	S	S	*	*			trans	60.3	152.7	142.7	-79.4	-177.2	172.7	0	0	123.7
947	D	38	Very low	38.5	Very low	148 Å²	148	131.8 Å²	131.8	79%	0.791	73%	0.728	S	S	*	*			cis	-150.2	-167.8	-5.5	-153.1	-2.8	0	0	0	114
948	A	43.4	Very low	38.3	Very low	75 Å²	75	132.1 Å²	132.1	62%	0.62	73%	0.73	S	S	*	*			trans	-124.3	-179.9	-150.6	0	0	0	0	0	120.1
949	M	26.5	Very low	38.2	Very low	169 Å²	169	130.9 Å²	130.9	83%	0.833	73%	0.725	S	S	*	*			trans	72.5	163.9	151.7	-78.5	-65.2	-170.7	0	0	120.8
950	P	56.4	Low	38.6	Very low	113 Å²	113	132 Å²	132	73%	0.734	73%	0.725	S	S	*	*			cis	-132.9	-157.7	-16	35.6	-13.8	0	0	0	114.7
951	L	40	Very low	38.6	Very low	152 Å²	152	132.5 Å²	132.5	80%	0.796	72%	0.724	S	S	*	*			trans	-80.6	162.1	-179.4	-54.9	78.6	0	0	0	115.1
952	I	33.1	Very low	38	Very low	175 Å²	175	133.3 Å²	133.3	90%	0.897	73%	0.727	S	S	*	*				-179.4	176.3	128.5	-93.4	157.1	0	0	0	110.9
953	G	32.3	Very low	37.7	Very low	58 Å²	58	132.9 Å²	132.9	60%	0.598	73%	0.726	S	S	*	*			trans	-88.4	-148.6	-173.3	0	0	0	0	0	116.8
954	P	68.6	Low	37.7	Very low	127 Å²	127	132.1 Å²	132.1	83%	0.825	73%	0.728	S	S	*	*			trans	-78.9	178.6	-172.5	35.3	-37.8	0	0	0	113.7
955	E	29.6	Very low	37.5	Very low	176 Å²	176	132.4 Å²	132.4	82%	0.822	73%	0.733	S	S	*	*			trans	74.9	150.1	-171.7	-65.9	-161.3	-179.3	0	0	113.3
956	T	28	Very low	37.2	Very low	98 Å²	98	132.8 Å²	132.8	60%	0.601	74%	0.735	S	S	*	*			cis	-166.3	158.2	-2.2	19.1	0	0	0	0	110.7
957	L	28.2	Very low	37.2	Very low	145 Å²	145	131.5 Å²	131.5	76%	0.759	73%	0.733	S	S	*	*			trans	62.4	130.4	140.2	-63.4	166.6	0	0	0	119.6
958	V	27.7	Very low	36.8	Very low	121 Å²	121	129.7 Å²	129.7	73%	0.733	72%	0.723	S	S	*	*				69	132.7	103.3	174.3	0	0	0	0	115.3
959	C	29.4	Very low	36.2	Very low	88 Å²	88	133 Å²	133	60%	0.595	73%	0.726	S	S	*	*			cis	-179.6	179.3	-14.5	-101.7	0	0	0	0	107.4
960	H	37	Very low	36.4	Very low	169 Å²	169	130.7 Å²	130.7	78%	0.782	71%	0.711	S	S	*	*			trans	65.3	161.6	139.4	-72.6	-1.2	0	0	0	119.5
961	E	35.5	Very low	35.4	Very low	167 Å²	167	130.3 Å²	130.3	78%	0.78	70%	0.703	S	S	*	*			cis	-98.6	-118.7	-10.1	-66.9	174	136.4	0	0	108.6
962	V	37.8	Very low	35.1	Very low	117 Å²	117	130 Å²	130	71%	0.709	70%	0.696	S	S	*	*			cis	-162.1	145.6	-18.6	-113.4	0	0	0	0	105.3
963	D	37.5	Very low	35.2	Very low	135 Å²	135	127 Å²	127	72%	0.722	69%	0.685	S	S	*	*			cis	-165.9	172.2	-18.3	-158.2	5.6	0	0	0	111
964	L	36.2	Very low	35.6	Very low	122 Å²	122	129.1 Å²	129.1	64%	0.639	69%	0.691	S	S	*	*			trans	68.9	122.7	162.4	-51	-174.3	0	0	0	120.3
965	D	37.4	Very low	34.3	Very low	138 Å²	138	128.8 Å²	128.8	74%	0.738	68%	0.681	S	S	*	*				53.8	144.3	119.9	-49.1	-20.3	0	0	0	120.3
966	D	36.9	Very low	34.5	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	68%	0.68	S	S	*	*			cis	-141.1	171.4	25.9	-138.9	-16.7	0	0	0	114.6
967	L	41	Very low	34.6	Very low	138 Å²	138	130 Å²	130	72%	0.723	68%	0.684	S	S	*	*			trans	-19.6	156.1	149.2	-70.8	168.4	0	0	0	118.1
968	D	30.6	Very low	34.6	Very low	109 Å²	109	128.8 Å²	128.8	58%	0.583	68%	0.682	S	S	*	*				44.7	119.9	101.1	-142	19.4	0	0	0	110.9	K970	D968-K970 IonicContact OD1-NZ 3.83Å; D968-K970 IonicContact OD2-NZ 2.92Å; D968-K970 PolarHBondContact OD2-NZ 2.88Å
969	E	31.2	Very low	34.4	Very low	144 Å²	144	126.7 Å²	126.7	67%	0.673	68%	0.678	S	S	*	*				-164.4	136.1	63.9	-98.1	-163.3	145	0	0	111.1
970	K	30.7	Very low	34.4	Very low	122 Å²	122	128.3 Å²	128.3	53%	0.53	69%	0.685	S	S	.	*				61	149.2	120.7	-61.3	177	-168.5	131	0	119	D968	D968-K970 IonicContact OD1-NZ 3.83Å; D968-K970 IonicContact OD2-NZ 2.92Å; D968-K970 PolarHBondContact OD2-NZ 2.88Å
971	D	34.6	Very low	33.8	Very low	104 Å²	104	128.3 Å²	128.3	56%	0.556	69%	0.685	S	S	*	*			cis	-150.5	153.9	11.4	-125.4	10.4	0	0	0	111.6
972	K	34	Very low	33.2	Very low	147 Å²	147	125.5 Å²	125.5	64%	0.639	68%	0.684	S	S	*	*				45.8	144.4	103	-65.6	-174	-152.6	88	0	115.4
973	T	35.4	Very low	32.7	Very low	110 Å²	110	124.6 Å²	124.6	68%	0.675	68%	0.683	S	S	*	*			cis	-150.3	155.7	12.5	-5.9	0	0	0	0	106.3	I975	T973-I975 HydrophobicContact CG2-CB 4.32Å; T973-I975 HydrophobicContact CG2-CG2 4.19Å
974	S	40.1	Very low	32	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	69%	0.69	S	S	*	*			cis	-157.3	134.8	48	45.3	0	0	0	0	109.3
975	I	41.8	Very low	31.7	Very low	119 Å²	119	126 Å²	126	61%	0.61	69%	0.692	S	S	*	*				64.2	134.1	54.3	-125	174.5	0	0	0	110.9	T973	T973-I975 HydrophobicContact CG2-CB 4.32Å; T973-I975 HydrophobicContact CG2-CG2 4.19Å
976	E	33.9	Very low	31	Very low	170 Å²	170	126.5 Å²	126.5	79%	0.794	70%	0.695	S	S	*	*			cis	-162.7	147.4	17.4	-164.8	169.3	-71.9	0	0	108
977	D	29.4	Very low	30.5	Very low	130 Å²	130	124.4 Å²	124.4	70%	0.695	69%	0.691	S	S	*	*			cis	-154.7	-155.3	-33.4	-128.8	75.9	0	0	0	106.2
978	V	27.9	Very low	29.9	Very low	120 Å²	120	125.4 Å²	125.4	73%	0.727	70%	0.696	S	S	*	*			cis	-158.9	138.1	7.3	99	0	0	0	0	105.3
979	A	24.6	Very low	29.9	Very low	77 Å²	77	125.5 Å²	125.5	64%	0.636	70%	0.7	S	S	*	*				69.4	144.8	81.9	0	0	0	0	0	116.6
980	V	28.1	Very low	29.7	Very low	122 Å²	122	123.9 Å²	123.9	74%	0.739	71%	0.705	S	S	*	*			cis	-166.2	160.5	-5.9	101.6	0	0	0	0	113.4
981	E	24.5	Very low	29.5	Very low	168 Å²	168	125.3 Å²	125.3	79%	0.785	72%	0.716	S	S	*	*			trans	54.6	134.9	157.1	-72.9	-179.8	125.3	0	0	126.6
982	S	24.2	Very low	30.3	Very low	109 Å²	109	125.8 Å²	125.8	76%	0.762	73%	0.726	S	S	*	*			trans	88	136.2	131.5	72.1	0	0	0	0	123.7
983	S	26.2	Very low	31.1	Very low	97 Å²	97	124.8 Å²	124.8	68%	0.678	73%	0.734	S	S	*	*			trans	35	136.4	138.8	-58.5	0	0	0	0	124.5
984	E	23.8	Very low	30.9	Very low	189 Å²	189	123.9 Å²	123.9	88%	0.883	74%	0.737	S	S	*	*			trans	68	148.7	138.2	-71	176.8	103.4	0	0	120.9
985	S	28.3	Very low	30.3	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	74%	0.744	S	S	*	*			trans	-83.9	147.9	167.3	47.6	0	0	0	0	110.8
986	N	24.5	Very low	30.9	Very low	149 Å²	149	126.4 Å²	126.4	80%	0.797	75%	0.75	S	S	*	*				-179.4	155.4	117.6	-99.3	-65.3	0	0	0	116.3
987	S	26.3	Very low	31.7	Very low	87 Å²	87	123.3 Å²	123.3	61%	0.608	74%	0.744	S	S	*	*			trans	-13.6	157.4	164.8	64.3	0	0	0	0	123.4
988	L	27.7	Very low	31.8	Very low	159 Å²	159	123.5 Å²	123.5	83%	0.832	75%	0.75	S	S	*	*				-176.7	114.1	115.4	-90.3	170.3	0	0	0	108.2
989	V	29.9	Very low	31.9	Very low	111 Å²	111	123.6 Å²	123.6	67%	0.673	75%	0.75	S	S	*	*				84.9	116.5	72.2	166.3	0	0	0	0	115.8
990	S	26.7	Very low	32	Very low	109 Å²	109	128 Å²	128	76%	0.762	76%	0.757	S	S	*	*			trans	165.3	106.4	136	-73.7	0	0	0	0	116.9
991	I	27.7	Very low	32.1	Very low	152 Å²	152	129.3 Å²	129.3	78%	0.779	76%	0.755	S	S	*	*				36	145.1	110.5	-57.4	164.5	0	0	0	119.1
992	P	51.8	Low	32.2	Very low	115 Å²	115	126.8 Å²	126.8	75%	0.747	75%	0.747	S	S	*	*			cis	-125.4	-136.8	-1	36.5	-12.7	0	0	0	111.6
993	P	50.1	Low	32.3	Very low	125 Å²	125	130.8 Å²	130.8	81%	0.812	75%	0.751	S	S	*	*			cis	-133.1	-159.1	-19	42.2	-21.1	0	0	0	115.7
994	A	30.5	Very low	32.2	Very low	91 Å²	91	130.8 Å²	130.8	75%	0.752	75%	0.751	S	S	*	*			trans	-161.1	-169.2	178.9	0	0	0	0	0	116.2
995	L	29.1	Very low	32.1	Very low	165 Å²	165	128.5 Å²	128.5	86%	0.864	75%	0.75	S	S	*	*			trans	106.7	166.3	162.1	-56.3	177.1	0	0	0	118.4
996	P	53.9	Low	32.1	Very low	112 Å²	112	127.8 Å²	127.8	73%	0.727	75%	0.75	S	S	*	*				-136.4	-141.3	-69	45.6	-27.1	0	0	0	110.6
997	P	50.5	Low	32.1	Very low	105 Å²	105	126.1 Å²	126.1	68%	0.682	75%	0.75	S	S	*	*			cis	-134.4	-165.9	-29.5	40.6	-21.4	0	0	0	115.1
998	V	30.8	Very low	32.9	Very low	134 Å²	134	127.4 Å²	127.4	81%	0.812	76%	0.756	S	S	*	*			trans	77.3	151	146	150.6	0	0	0	0	121
999	V	30.2	Very low	33	Very low	122 Å²	122	127.7 Å²	127.7	74%	0.739	76%	0.758	S	S	*	*			cis	-170.7	161	-37.4	87.7	0	0	0	0	113.6
1000	Q	27.1	Very low	32.7	Very low	168 Å²	168	128.9 Å²	128.9	79%	0.785	77%	0.765	S	S	*	*			trans	82.2	142.7	158.5	-94.2	-175.2	-7.7	0	0	124.8
1001	H	30.5	Very low	32.6	Very low	150 Å²	150	131 Å²	131	69%	0.694	77%	0.767	S	S	*	*			trans	91.7	74.9	157.6	-95.5	-83.1	0	0	0	123.6
1002	N	26.4	Very low	32.5	Very low	115 Å²	115	128.5 Å²	128.5	62%	0.615	76%	0.763	S	S	*	*				53.6	135.5	122.7	-66.4	-6	0	0	0	125.5
1003	F	26.1	Very low	31.2	Very low	194 Å²	194	132 Å²	132	85%	0.851	77%	0.77	S	S	*	*			trans	71.3	168.1	151.3	-58.5	-47.5	0	0	0	119.8
1004	S	23.3	Very low	30.1	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	77%	0.767	S	S	*	*			cis	-179.8	146.2	-45.6	-155.3	0	0	0	0	111.4
1005	V	22.9	Very low	29.9	Very low	142 Å²	142	135.3 Å²	135.3	86%	0.861	76%	0.763	S	S	*	*			trans	65	153.4	156.1	169.4	0	0	0	0	119.3
1006	A	27.2	Very low	30	Very low	83 Å²	83	132.2 Å²	132.2	69%	0.686	76%	0.756	S	S	*	*			trans	-95.1	-171.2	-172	0	0	0	0	0	115.3
1007	S	24.5	Very low	28.8	Very low	113 Å²	113	137 Å²	137	79%	0.79	76%	0.759	S	S	*	*			trans	93.9	163.1	166.9	-45.2	0	0	0	0	116.7
1008	P	44.6	Very low	27.9	Very low	114 Å²	114	137.1 Å²	137.1	74%	0.74	76%	0.762	S	S	*	*			cis	-138.2	179.4	-33.9	32	-11.6	0	0	0	115.4
1009	L	29	Very low	27.8	Very low	166 Å²	166	136.6 Å²	136.6	87%	0.869	76%	0.759	S	S	*	*			trans	0.2	133.8	151.3	-63.5	161.5	0	0	0	120.8
1010	T	23.8	Very low	27.9	Very low	135 Å²	135	139.2 Å²	139.2	83%	0.828	76%	0.761	S	S	*	*				-168.9	142.4	129.4	31.3	0	0	0	0	116
1011	L	24	Very low	28.3	Very low	154 Å²	154	135.1 Å²	135.1	81%	0.806	75%	0.75	S	S	*	*			trans	27	122.6	146.1	-87.3	66.5	0	0	0	125.4
1012	S	25.5	Very low	28.4	Very low	99 Å²	99	136.4 Å²	136.4	69%	0.692	76%	0.757	S	S	*	*				17.2	129.3	122.8	64.7	0	0	0	0	124.5
1013	Q	25.9	Very low	28.8	Very low	189 Å²	189	135.7 Å²	135.7	88%	0.883	76%	0.761	S	S	*	*			trans	-178.6	140.1	132.1	-101.6	168.4	-13.5	0	0	106.3
1014	D	26.2	Very low	29.4	Very low	143 Å²	143	133 Å²	133	77%	0.765	76%	0.756	S	S	*	*			cis	62.5	89.2	36	-150.2	131.1	0	0	0	115.3
1015	E	25.7	Very low	29.9	Very low	142 Å²	142	135 Å²	135	66%	0.664	76%	0.757	S	S	*	*				-154.4	154.1	114.5	-139.6	-166.3	71.2	0	0	112.3	R1017	E1015-R1017 IonicContact OE1-CZ 2.61Å; E1015-R1017 IonicContact OE1-NE 3.15Å; E1015-R1017 PolarHBondContact OE1-NE 3.07Å; E1015-R1017 IonicContact OE1-NH2 2.62Å; E1015-R1017 PolarHBondContact OE1-NH2 2.88Å; E1015-R1017 IonicContact OE2-CZ 2.63Å; E1015-R1017 IonicContact OE2-NH2 2.65Å; E1015-R1017 PolarHBondContact OE2-NH2 2.62Å
1016	S	33	Very low	30.3	Very low	101 Å²	101	133.2 Å²	133.2	71%	0.706	75%	0.747	S	S	*	*			trans	-102	145.3	167.9	-63.3	0	0	0	0	111
1017	R	27.4	Very low	30.8	Very low	212 Å²	212	135.5 Å²	135.5	80%	0.8	75%	0.746	S	S	*	*			trans	-167.9	147.1	147	-110.3	159.3	-95.8	-109.6	13.3	113.9	E1015	E1015-R1017 IonicContact OE1-CZ 2.61Å; E1015-R1017 IonicContact OE1-NE 3.15Å; E1015-R1017 PolarHBondContact OE1-NE 3.07Å; E1015-R1017 IonicContact OE1-NH2 2.62Å; E1015-R1017 PolarHBondContact OE1-NH2 2.88Å; E1015-R1017 IonicContact OE2-CZ 2.63Å; E1015-R1017 IonicContact OE2-NH2 2.65Å; E1015-R1017 PolarHBondContact OE2-NH2 2.62Å
1018	S	31	Very low	31.3	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	75%	0.745	S	S	*	*			trans	-110.6	147.4	175	163.1	0	0	0	0	109.8
1019	V	30.3	Very low	30.9	Very low	124 Å²	124	137.4 Å²	137.4	75%	0.752	74%	0.739	S	S	*	*				-178.7	136.5	128.7	-92.4	0	0	0	0	113.3
1020	K	32.1	Very low	31	Very low	177 Å²	177	136 Å²	136	77%	0.77	73%	0.732	S	S	*	*			trans	56.8	157.6	135.2	-63.8	-171.3	68.8	-175.7	0	121.4
1021	S	35.3	Very low	31.6	Very low	81 Å²	81	133.6 Å²	133.6	57%	0.566	72%	0.721	S	S	*	*			cis	-174.7	179.4	-19.7	-87.8	0	0	0	0	108.7
1022	E	31.5	Very low	31.7	Very low	177 Å²	177	133.7 Å²	133.7	83%	0.827	72%	0.721	S	S	*	*			trans	77.7	148.7	160.8	-58	-172.3	72.8	0	0	116.8
1023	S	35.7	Very low	31.8	Very low	100 Å²	100	133 Å²	133	70%	0.699	72%	0.721	S	S	*	*			cis	-175.5	166	-17.5	-86.9	0	0	0	0	107.6
1024	D	38.8	Very low	31.9	Very low	139 Å²	139	132.4 Å²	132.4	74%	0.743	72%	0.718	S	S	*	*			cis	-177.9	-167.6	-31.2	-165	-5.5	0	0	0	106.4
1025	I	32.9	Very low	31.9	Very low	138 Å²	138	133.2 Å²	133.2	71%	0.708	72%	0.718	S	S	*	*			trans	77.7	128.5	149.8	-76	164.6	0	0	0	116.3
1026	T	32.3	Very low	32	Very low	104 Å²	104	132.1 Å²	132.1	64%	0.638	73%	0.726	S	S	*	*			cis	-165.3	136.7	12.6	18.5	0	0	0	0	115.2
1027	I	36.5	Very low	31.5	Very low	131 Å²	131	134.5 Å²	134.5	67%	0.672	73%	0.726	S	S	*	*			trans	38.4	165.9	146.2	33.1	72.1	0	0	0	123.2	V1029	I1027-V1029 HydrophobicContact CG2-CG2 4.25Å
1028	E	36.3	Very low	31.4	Very low	163 Å²	163	131.8 Å²	131.8	76%	0.762	72%	0.722	S	S	*	*			cis	-128.4	179.4	24.4	-79.8	-72.5	132.6	0	0	115.4
1029	V	35.1	Very low	31.2	Very low	103 Å²	103	129.9 Å²	129.9	62%	0.624	72%	0.719	S	S	*	*			trans	-110	-174.3	-148.1	-133.7	0	0	0	0	112.6	I1027	I1027-V1029 HydrophobicContact CG2-CG2 4.25Å
1030	D	31.6	Very low	31.1	Very low	136 Å²	136	127.8 Å²	127.8	73%	0.727	70%	0.704	S	S	*	*			cis	174.1	174.5	37.7	-126.2	-17.5	0	0	0	106.2
1031	S	37.4	Very low	30.8	Very low	85 Å²	85	123.7 Å²	123.7	59%	0.594	70%	0.696	S	S	*	*			cis	-170.8	172.3	-19.8	-132.4	0	0	0	0	110
1032	I	25.9	Very low	30.5	Very low	156 Å²	156	123.3 Å²	123.3	80%	0.8	69%	0.686	S	S	*	*			trans	66.8	132.4	162.5	-60	149.4	0	0	0	116
1033	A	27.6	Very low	30.5	Very low	84 Å²	84	122.6 Å²	122.6	69%	0.694	68%	0.675	S	S	*	*			cis	115.1	153.4	6.2	0	0	0	0	0	115.8
1034	E	27.5	Very low	30.2	Very low	177 Å²	177	122.8 Å²	122.8	83%	0.827	67%	0.665	S	S	*	*			trans	74.6	134.7	164.1	-75.5	179.9	140.4	0	0	123.4
1035	E	26.4	Very low	29.9	Very low	160 Å²	160	120.7 Å²	120.7	75%	0.748	66%	0.661	S	S	*	*			trans	47	115.6	131.8	-164.8	174.2	-158.8	0	0	121.4
1036	S	28.5	Very low	29.7	Very low	119 Å²	119	116.3 Å²	116.3	83%	0.832	65%	0.646	S	S	*	*				-173.8	127	120.9	-85.8	0	0	0	0	116.6
1037	Q	21.9	Very low	29.5	Very low	151 Å²	151	116.8 Å²	116.8	71%	0.706	64%	0.644	S	S	*	*			trans	-30.4	157.2	149.6	175.7	173.9	-18.9	0	0	118.7
1038	E	25.6	Very low	29.2	Very low	156 Å²	156	112.2 Å²	112.2	73%	0.729	63%	0.63	S	S	*	*			trans	62	88.4	159.3	-78.9	175.9	-126.9	0	0	121.6
1039	G	26.9	Very low	28.8	Very low	67 Å²	67	110 Å²	110	69%	0.691	62%	0.618	S	S	*	*				93.8	145.1	98.4	0	0	0	0	0	122
1040	L	27.8	Very low	28.5	Very low	80 Å²	80	111.2 Å²	111.2	42%	0.419	62%	0.617	S	S	.	*			trans	80	110	146.4	-54	160.2	0	0	0	119.7	K530 K531	K530-L1040 HydrophobicContact CD-CB 4.16Å; K530-L1040 HydrophobicContact CD-CD1 4.27Å; K530-L1040 HydrophobicContact CG-CB 3.97Å; K530-L1040 HydrophobicContact CG-CD1 4.48Å; K530-L1040 PolarHBondContact NZ-O 2.82Å; K530-L1040 VanDerWaalsContact NZ-O 3.17Å; K531-L1040 HydrophobicContact CD-CD1 3.74Å; K531-L1040 HydrophobicContact CD-CD2 4.23Å; K531-L1040 HydrophobicContact CG-CD1 4.13Å; K531-L1040 HydrophobicContact CG-CD2 3.72Å; K531-L1040 VanDerWaalsContact NZ-CD1 3.35Å
1041	C	26.6	Very low	28.4	Very low	91 Å²	91	109.3 Å²	109.3	62%	0.615	61%	0.61	S	S	*	*			trans	21.6	137.2	137.5	-46.7	0	0	0	0	119.1	K530	K530-C1041 PolarHBondContact NZ-O 3.44Å
1042	E	27.6	Very low	28.1	Very low	73 Å²	73	112.2 Å²	112.2	34%	0.341	62%	0.619	S	S	.	*				-171.3	110.2	115.3	-100	160.3	66.4	0	0	115.1	K528 E529 K530	K528-E1042 WeakPolarHBondContact CA-OE1 3.33Å; K528-E1042 WeakPolarHBondContact CE-OE1 3.45Å; K528-E1042 IonicContact NZ-OE1 3.8Å; E529-E1042 VanDerWaalsContact C-CG 3.43Å; K530-E1042 WeakPolarHBondContact CD-OE2 3.45Å; K530-E1042 WeakPolarHBondContact CE-OE2 3.37Å; K530-E1042 HydrophobicContact CG-CG 4.49Å; K530-E1042 WeakPolarHBondContact CG-OE2 3.36Å; K530-E1042 IonicContact NZ-OE2 2.75Å; K530-E1042 PolarHBondContact NZ-OE2 2.98Å
1043	R	32.4	Very low	28.3	Very low	161 Å²	161	111 Å²	111	61%	0.608	62%	0.618	S	S	*	*			trans	27.4	127.2	140.1	-113.1	-172.4	162.9	180	-21.5	123.1	K528	K528-R1043 WeakPolarHBondContact O-CB 3.48Å; K528-R1043 WeakPolarHBondContact O-CD 3.19Å
1044	E	28.3	Very low	28.6	Very low	104 Å²	104	111 Å²	111	49%	0.486	62%	0.618	S	S	.	*			trans	61.5	118.5	137	-78.8	169.1	44.7	0	0	117.6	K526	K526-E1044 VanDerWaalsContact CA-O 3.25Å; K526-E1044 WeakPolarHBondContact CA-O 3.41Å
1045	S	33	Very low	29	Very low	95 Å²	95	108.1 Å²	108.1	66%	0.664	62%	0.618	S	S	*	*				70.9	124.9	71.9	-60.3	0	0	0	0	113.6	P525 K526	P525-S1045 CarbonylContact C-O 3.4Å; K526-S1045 PolarHBondContact N-O 2.96Å
1046	A	28.9	Very low	29.2	Very low	46 Å²	46	103.6 Å²	103.6	38%	0.38	61%	0.614	S	S	.	*				-171.7	149.1	112	0	0	0	0	0	110.1	T524	T524-A1046 CarbonylContact C-O 3.23Å; T524-A1046 VanDerWaalsContact C-O 3.28Å; T524-A1046 WeakPolarHBondContact CA-O 3.29Å; T524-A1046 PolarHBondContact N-O 3.21Å; T524-A1046 WeakPolarHBondContact O-CB 3.41Å
1047	N	28	Very low	29.5	Very low	114 Å²	114	104.1 Å²	104.1	61%	0.61	61%	0.613	S	S	*	*			trans	54.7	149.4	159.7	-57	-14	0	0	0	118.9	N523 T524	N523-N1047 CarbonylContact C-O 3.59Å; N523-N1047 VanDerWaalsContact CA-C 3.45Å; N523-N1047 VanDerWaalsContact CA-O 3.24Å; N523-N1047 WeakPolarHBondContact CA-O 3.49Å; N523-N1047 PolarHBondContact OD1-O 2.95Å; T524-N1047 PolarHBondContact N-O 2.64Å; T524-N1047 VanDerWaalsContact N-O 3.12Å; T524-N1047 PolarHBondContact O-ND2 3.26Å
1048	G	29.4	Very low	29.6	Very low	36 Å²	36	102.1 Å²	102.1	37%	0.371	61%	0.614	S	S	.	*			cis	159.9	-175.4	-5.6	0	0	0	0	0	114.9	K522 N523	K522-G1048 CarbonylContact C-O 3.28Å; K522-G1048 WeakPolarHBondContact CA-O 3.3Å; K522-G1048 PolarHBondContact N-O 3.29Å; N523-G1048 PolarHBondContact OD1-N 2.85Å; N523-G1048 VanDerWaalsContact OD1-N 3.09Å; N523-G1048 PolarHBondContact OD1-O 2.88Å
1049	F	28.3	Very low	29.8	Very low	116 Å²	116	98.9 Å²	98.9	51%	0.509	61%	0.609	S	S	.	*	B	Isolated β-bridge	trans	47.5	120.8	165.8	-83.6	-111	0	0	0	118.6	G520 R521 K522	G520-F1049 CarbonylContact C-O 3.56Å; R521-F1049 VanDerWaalsContact C-CB 3.4Å; R521-F1049 CarbonylContact C-O 3.49Å; R521-F1049 VanDerWaalsContact C-O 3.32Å; R521-F1049 WeakPolarHBondContact CA-O 3.45Å; R521-F1049 PolarHBondContact N-O 2.89Å; R521-F1049 VanDerWaalsContact N-O 3.07Å; K522-F1049 PolarHBondContact N-O 2.87Å
1050	E	28.5	Very low	29.9	Very low	129 Å²	129	102.6 Å²	102.6	60%	0.603	61%	0.611	S	S	*	*			cis	73.1	109.7	42.7	-58.6	163.6	-120.4	0	0	115.4	G520 R521	G520-E1050 CarbonylContact C-O 3.6Å; G520-E1050 CarbonylContact O-C 3.5Å; R521-E1050 PolarHBondContact N-O 2.85Å
1051	T	30.8	Very low	30.1	Very low	95 Å²	95	105.3 Å²	105.3	58%	0.583	63%	0.625	S	S	*	*				175.6	168.1	116.7	43	0	0	0	0	110.8	G520	G520-T1051 PolarHBondContact O-N 3.03Å; G520-T1051 PolarHBondContact O-OG1 2.68Å
1052	N	30.3	Very low	30.4	Very low	146 Å²	146	107.4 Å²	107.4	78%	0.781	63%	0.634	S	S	*	*			cis	-173.8	-159.9	-48.1	-163	3.4	0	0	0	107.5
1053	V	31.1	Very low	30.4	Very low	130 Å²	130	111.9 Å²	111.9	79%	0.788	66%	0.655	S	S	*	*			trans	93.9	134	155.1	-175.7	0	0	0	0	115.1
1054	A	33.4	Very low	30.3	Very low	84 Å²	84	109.7 Å²	109.7	69%	0.694	65%	0.652	S	S	*	*			cis	-170.1	-168.7	-25.3	0	0	0	0	0	106.4
1055	S	35.4	Very low	30.5	Very low	118 Å²	118	113.6 Å²	113.6	83%	0.825	66%	0.662	S	S	*	*			cis	-161.8	171.1	-3.2	-141.3	0	0	0	0	106.7
1056	G	31.8	Very low	30.3	Very low	65 Å²	65	115.9 Å²	115.9	67%	0.67	66%	0.663	S	S	*	*			cis	176.2	178	3.1	0	0	0	0	0	108.9
1057	T	33.6	Very low	30.2	Very low	129 Å²	129	117.7 Å²	117.7	79%	0.791	67%	0.672	S	S	*	*			cis	-128.8	-115	-1.2	-43.2	0	0	0	0	109.8
1058	C	24.4	Very low	30.1	Very low	110 Å²	110	122.1 Å²	122.1	74%	0.743	68%	0.68	S	S	*	*			cis	-153.3	127.4	-8.3	-124.7	0	0	0	0	105.9
1059	S	29.1	Very low	30.3	Very low	88 Å²	88	125.7 Å²	125.7	62%	0.615	69%	0.688	S	S	*	*				77.4	127.3	80.1	-59.8	0	0	0	0	115
1060	I	30.2	Very low	30.5	Very low	144 Å²	144	129.2 Å²	129.2	74%	0.738	70%	0.703	S	S	*	*			cis	-164	140.6	2.6	-124.8	166.6	0	0	0	113.6
1061	I	31.5	Very low	30.4	Very low	137 Å²	137	126.8 Å²	126.8	70%	0.703	71%	0.713	S	S	*	*			trans	49.8	131.5	145.4	-62.4	164.8	0	0	0	121.4
1062	V	31.8	Very low	30.4	Very low	135 Å²	135	130.1 Å²	130.1	82%	0.818	72%	0.721	S	S	*	*			cis	101.7	106	5.2	-173.1	0	0	0	0	119
1063	Q	28.6	Very low	30.3	Very low	167 Å²	167	131.8 Å²	131.8	78%	0.78	72%	0.722	S	S	*	*			trans	-172.6	165.9	169.6	-101.9	-168.3	-69.1	0	0	110.3
1064	E	29.4	Very low	30.3	Very low	116 Å²	116	137 Å²	137	54%	0.542	73%	0.727	S	S	.	*			cis	-171.2	157	-29.4	-128.9	-162.1	130	0	0	112.7
1065	R	34.1	Very low	30.5	Very low	185 Å²	185	139.1 Å²	139.1	70%	0.698	73%	0.734	S	S	*	*			trans	63.8	154.7	150.2	-91.1	-171.6	-90.6	163.4	1	122.9
1066	E	28.4	Very low	30	Very low	144 Å²	144	137.8 Å²	137.8	67%	0.673	73%	0.725	S	S	*	*			cis	-163.2	124.4	-12.4	-147.6	-177.5	138.9	0	0	115.9
1067	S	26.6	Very low	29.8	Very low	83 Å²	83	142.4 Å²	142.4	58%	0.58	73%	0.734	S	S	*	*			trans	61	160.7	136.8	78.7	0	0	0	0	128.6
1068	R	26.5	Very low	29.4	Very low	207 Å²	207	139.9 Å²	139.9	78%	0.781	73%	0.734	S	S	*	*			trans	84.6	154.4	152.9	-67.8	-174.4	-166.5	-101.1	7.4	121.8
1069	E	32.5	Very low	29.5	Very low	112 Å²	112	141.7 Å²	141.7	52%	0.523	74%	0.736	S	S	.	*			cis	-172.1	124.9	-27	-174.9	166.8	-177.7	0	0	114.8
1070	K	31.7	Very low	29.3	Very low	189 Å²	189	142.5 Å²	142.5	82%	0.822	74%	0.742	S	S	*	*			trans	56.6	134.2	152.2	-66.9	168.6	-171.9	156.4	0	125.5
1071	G	27.3	Very low	29.2	Very low	79 Å²	79	138.9 Å²	138.9	81%	0.814	74%	0.74	S	S	*	*			trans	124.5	158.2	133.2	0	0	0	0	0	118.4
1072	Q	29.8	Very low	29.1	Very low	164 Å²	164	139.9 Å²	139.9	77%	0.766	75%	0.746	S	S	*	*			cis	-168.6	141	-22.1	-153.3	-175.2	27.7	0	0	113.2
1073	K	28.9	Very low	28.9	Very low	182 Å²	182	141.3 Å²	141.3	79%	0.791	75%	0.746	S	S	*	*			trans	80.1	159	157	-82.9	157.6	-176.3	169.3	0	123.2
1074	R	31.7	Very low	29	Very low	239 Å²	239	137.5 Å²	137.5	90%	0.902	74%	0.743	S	S	*	*			trans	-91.4	178.6	179	-73.1	-179.7	179.9	140.6	-2.4	110.9
1075	P	37.9	Very low	29	Very low	129 Å²	129	141.2 Å²	141.2	84%	0.838	76%	0.757	S	S	*	*			cis	-152.3	-147.4	34.8	47.3	-23.1	0	0	0	118.4
1076	S	24.6	Very low	28.8	Very low	90 Å²	90	140.8 Å²	140.8	63%	0.629	76%	0.76	S	S	*	*			trans	-115.5	175.1	-149.5	58.2	0	0	0	0	117.3
1077	D	26.7	Very low	28.9	Very low	161 Å²	161	141.4 Å²	141.4	86%	0.861	76%	0.763	S	S	*	*			trans	70.6	139.5	154.4	-52.6	-50.4	0	0	0	121.1
1078	G	25.9	Very low	29	Very low	77 Å²	77	145 Å²	145	79%	0.794	77%	0.769	S	S	*	*			trans	-164	4.9	-168.3	0	0	0	0	0	123.8
1079	N	26.7	Very low	29.3	Very low	147 Å²	147	145 Å²	145	79%	0.786	77%	0.769	S	S	*	*			trans	45.8	110.6	149.4	-167	54	0	0	0	124.6
1080	S	25.3	Very low	29.2	Very low	106 Å²	106	145.5 Å²	145.5	74%	0.741	78%	0.779	S	S	*	*			trans	71.6	147.3	136.8	77.9	0	0	0	0	125.5
1081	G	27.1	Very low	30	Very low	68 Å²	68	141.8 Å²	141.8	70%	0.701	78%	0.775	S	S	*	*			trans	124.6	110.8	158.8	0	0	0	0	0	115
1082	L	30.3	Very low	30.5	Very low	158 Å²	158	147 Å²	147	83%	0.827	78%	0.775	S	S	*	*				87.2	103.7	58	-71.4	178.6	0	0	0	117.6
1083	M	26.1	Very low	30.8	Very low	164 Å²	164	149.7 Å²	149.7	81%	0.808	78%	0.778	S	S	*	*			trans	77.5	100.3	135.1	-58.7	-65.6	161.9	0	0	124
1084	A	31.8	Very low	31.1	Very low	87 Å²	87	145.4 Å²	145.4	72%	0.719	77%	0.767	S	S	*	*				82.8	135.7	114.6	0	0	0	0	0	125.4
1085	K	29.4	Very low	31	Very low	194 Å²	194	141.3 Å²	141.3	84%	0.843	76%	0.763	S	S	*	*			trans	86.3	122.4	138.8	-91.3	170.3	-179.8	160.7	0	123.2
1086	K	28.6	Very low	30.6	Very low	176 Å²	176	139.7 Å²	139.7	77%	0.765	76%	0.761	S	S	*	*				96.7	142.8	127.5	-106.5	-177.6	178.5	-176	0	122
1087	Q	31.4	Very low	30.6	Very low	158 Å²	158	139.8 Å²	139.8	74%	0.738	77%	0.767	S	S	*	*			trans	78.8	155.2	153.1	-72.1	179.4	-148.2	0	0	119.6
1088	K	29.3	Very low	30.9	Very low	159 Å²	159	136.4 Å²	136.4	69%	0.691	76%	0.761	S	S	*	*			cis	-175.4	119.6	-24.1	169.1	-179.2	168.8	-168.4	0	113.1
1089	R	33	Very low	31.3	Very low	207 Å²	207	141.3 Å²	141.3	78%	0.781	76%	0.761	S	S	*	*			trans	45.3	130	142.7	-57.2	170.2	100.1	153.3	3.2	122
1090	T	30.6	Very low	31.5	Very low	122 Å²	122	140.8 Å²	140.8	75%	0.748	76%	0.758	S	S	*	*			trans	72	168.6	132.7	59.1	0	0	0	0	120.1
1091	P	47.8	Very low	31.8	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	75%	0.753	S	S	*	*			cis	-133.9	156.6	-0.5	22.9	1.6	0	0	0	119.4
1092	K	36.9	Very low	32.4	Very low	188 Å²	188	145.5 Å²	145.5	82%	0.817	75%	0.748	S	S	*	*			trans	9.7	147.1	136.1	-49	177.6	178.7	-174.8	0	120.9
1093	R	36.4	Very low	32.5	Very low	220 Å²	220	146 Å²	146	83%	0.83	75%	0.751	S	S	*	*				164.3	159	113	-92.2	-176.7	82	171.8	5.7	112.8
1094	T	35.2	Very low	32.5	Very low	93 Å²	93	142 Å²	142	57%	0.571	75%	0.752	S	S	*	*			cis	-171.6	169.3	-31.5	24	0	0	0	0	109
1095	N	29.7	Very low	32.5	Very low	153 Å²	153	144.7 Å²	144.7	82%	0.818	76%	0.76	S	S	*	*			trans	93.1	147.7	165.8	-52.4	-15.1	0	0	0	115.6
1096	A	29.5	Very low	32.7	Very low	95 Å²	95	138.3 Å²	138.3	79%	0.785	75%	0.749	S	S	*	*			cis	-177.3	169.1	-15.9	0	0	0	0	0	109
1097	A	26	Very low	32.8	Very low	92 Å²	92	138.4 Å²	138.4	76%	0.76	75%	0.752	S	S	*	*			cis	-178.7	-176.7	-30.5	0	0	0	0	0	109.1
1098	A	32.9	Very low	32.6	Very low	89 Å²	89	135.6 Å²	135.6	74%	0.736	75%	0.75	S	S	*	*			trans	80	147.7	162.4	0	0	0	0	0	118.8
1099	K	34	Very low	33	Very low	181 Å²	181	132.8 Å²	132.8	79%	0.787	75%	0.751	S	S	*	*			cis	-166.8	155.9	-10.2	-114.4	174.2	-172.4	176.6	0	112.2
1100	N	30.3	Very low	32.8	Very low	136 Å²	136	129.9 Å²	129.9	73%	0.727	75%	0.751	S	S	*	*			trans	65.7	156.1	151	-71.2	22.5	0	0	0	118.6
1101	E	31.7	Very low	33	Very low	135 Å²	135	128.7 Å²	128.7	63%	0.631	75%	0.748	S	S	*	*			cis	-169.8	169.9	-13.3	-94.6	-102	121.4	0	0	107
1102	K	40	Very low	32.1	Very low	138 Å²	138	131.5 Å²	131.5	60%	0.6	75%	0.751	S	S	*	*			cis	-178.3	125.2	-41.9	178.8	177.4	79.9	-93.3	0	108.1
1103	N	32.6	Very low	31.7	Very low	167 Å²	167	128.5 Å²	128.5	89%	0.893	74%	0.744	S	S	*	*			trans	175.3	138	148.1	-92.5	-20.2	0	0	0	113.4
1104	G	25.1	Very low	31.2	Very low	80 Å²	80	124.9 Å²	124.9	83%	0.825	74%	0.74	S	S	*	*			trans	155.5	111.2	171.9	0	0	0	0	0	116
1105	T	31.9	Very low	31.2	Very low	144 Å²	144	125.4 Å²	125.4	88%	0.883	75%	0.745	S	S	*	*			trans	-57.9	155.7	174.4	-43.5	0	0	0	0	113.8
1106	G	33.7	Very low	31	Very low	61 Å²	61	124 Å²	124	63%	0.629	74%	0.742	S	S	*	*			cis	134.4	152.4	-4	0	0	0	0	0	113.8
1107	Q	30.2	Very low	30.9	Very low	177 Å²	177	125.5 Å²	125.5	83%	0.827	74%	0.736	S	S	*	*			trans	68.4	143.3	179.1	-53.5	-63.8	-16.8	0	0	115.6
1108	S	28.1	Very low	30.8	Very low	99 Å²	99	127 Å²	127	69%	0.692	73%	0.731	S	S	*	*			cis	-173.4	159.4	-9.1	51.7	0	0	0	0	106.4
1109	S	36.9	Very low	30.4	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	73%	0.731	S	S	*	*			cis	168.3	143.7	-6.1	-87.7	0	0	0	0	105.8
1110	D	30	Very low	30	Very low	146 Å²	146	125.1 Å²	125.1	78%	0.781	73%	0.725	S	S	*	*				70.9	97.2	128.4	-147.8	44.4	0	0	0	122.3
1111	S	33.9	Very low	29.8	Very low	97 Å²	97	123.2 Å²	123.2	68%	0.678	72%	0.722	S	S	*	*				76.3	162.6	113.1	-54.3	0	0	0	0	125.4
1112	E	29.2	Very low	29.5	Very low	170 Å²	170	124.4 Å²	124.4	79%	0.794	73%	0.725	S	S	*	*			trans	80.3	139.3	162	-57.4	-64.8	65.5	0	0	123.3
1113	D	27.9	Very low	28.7	Very low	124 Å²	124	122.6 Å²	122.6	66%	0.663	73%	0.729	S	S	*	*			trans	60.3	113.7	146.4	-89.4	-4.1	0	0	0	124.4
1114	L	25.5	Very low	28.5	Very low	144 Å²	144	120.7 Å²	120.7	75%	0.754	72%	0.724	S	S	*	*				67.3	-170.8	128.9	-60.2	173.4	0	0	0	115.7
1115	P	36.8	Very low	29	Very low	104 Å²	104	122.3 Å²	122.3	68%	0.675	72%	0.72	S	S	*	*				-135.2	-172.6	-83	42.5	-27.1	0	0	0	114.9
1116	V	24.5	Very low	28.6	Very low	124 Å²	124	121.2 Å²	121.2	75%	0.752	71%	0.713	S	S	*	*			trans	80.2	164.9	144.3	150.7	0	0	0	0	118.5
1117	L	26.8	Very low	28.2	Very low	127 Å²	127	126.3 Å²	126.3	67%	0.665	72%	0.717	S	S	*	*			trans	-49.8	170.9	175.3	-59.9	74.4	0	0	0	112.5
1118	D	24	Very low	28	Very low	122 Å²	122	125.4 Å²	125.4	65%	0.652	71%	0.713	S	S	*	*			cis	-162	149.1	43	-126.5	-30.7	0	0	0	118.1
1119	N	24.6	Very low	27.9	Very low	136 Å²	136	127.9 Å²	127.9	73%	0.727	72%	0.717	S	S	*	*			trans	19.8	126.8	141	-82.1	-41	0	0	0	123.3
1120	S	25.9	Very low	27.4	Very low	96 Å²	96	129.5 Å²	129.5	67%	0.671	72%	0.718	S	S	*	*				89	137.4	109.3	-164.2	0	0	0	0	122.3
1121	S	26.2	Very low	27.4	Very low	96 Å²	96	128.1 Å²	128.1	67%	0.671	72%	0.715	S	S	*	*			trans	53.8	112.9	141.1	62.2	0	0	0	0	122.1
1122	K	26.1	Very low	27.3	Very low	159 Å²	159	129.1 Å²	129.1	69%	0.691	72%	0.722	S	S	*	*				55.7	139.6	104.9	-122.8	175.8	-174.1	168.9	0	120.5
1123	C	23.7	Very low	27.3	Very low	101 Å²	101	130.7 Å²	130.7	68%	0.682	73%	0.726	S	S	*	*			trans	83.1	106.6	155.9	-62.2	0	0	0	0	119.4
1124	T	28	Very low	27.4	Very low	127 Å²	127	129.5 Å²	129.5	78%	0.779	73%	0.725	S	S	*	*				41.3	139.6	122.4	60.9	0	0	0	0	120.3
1125	P	34.6	Very low	27.7	Very low	114 Å²	114	130.8 Å²	130.8	74%	0.74	73%	0.727	S	S	*	*			cis	-155	175.2	49.1	43.4	-22.6	0	0	0	119.1
1126	V	24.3	Very low	27.2	Very low	121 Å²	121	134.1 Å²	134.1	73%	0.733	73%	0.731	S	S	*	*			trans	48	104.8	138.5	175.3	0	0	0	0	120.8
1127	K	25.8	Very low	27.4	Very low	167 Å²	167	136 Å²	136	73%	0.726	74%	0.736	S	S	*	*			trans	65.3	120.3	131.2	-67.6	-175	-178.2	-178.5	0	123.6
1128	H	24.8	Very low	27.4	Very low	158 Å²	158	134.2 Å²	134.2	73%	0.731	74%	0.739	S	S	*	*			trans	80.6	151.1	137.5	-62.9	-49.5	0	0	0	121.6
1129	L	27.3	Very low	27.8	Very low	151 Å²	151	139.9 Å²	139.9	79%	0.791	75%	0.752	S	S	*	*			trans	68.1	148.9	173.9	-86.2	73.6	0	0	0	116.2
1130	N	25.7	Very low	28	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	75%	0.75	S	S	*	*			cis	-161	165.7	-22.7	-135.5	-6.6	0	0	0	111.2
1131	V	29.1	Very low	28.9	Very low	117 Å²	117	139.1 Å²	139.1	71%	0.709	75%	0.754	S	S	*	*			trans	40	116.7	151.7	179.2	0	0	0	0	120.1
1132	S	32.5	Very low	28.9	Very low	118 Å²	118	139 Å²	139	83%	0.825	76%	0.759	S	S	*	*				-172.9	154	123.9	-85.9	0	0	0	0	114.4
1133	K	29.8	Very low	29.1	Very low	203 Å²	203	142.6 Å²	142.6	88%	0.883	77%	0.768	S	S	*	*			trans	-91.7	166.9	170.1	-77.5	174.1	-179.1	172.5	0	109.3
1134	P	30.3	Very low	29.2	Very low	98 Å²	98	145.4 Å²	145.4	64%	0.636	78%	0.775	S	S	*	*			cis	-136.4	170.4	18.8	43.2	-27.1	0	0	0	117.3
1135	Q	30.6	Very low	29.7	Very low	172 Å²	172	144.5 Å²	144.5	80%	0.804	77%	0.774	S	S	*	*			trans	63.9	139.3	156.9	-65.7	150.2	-6.8	0	0	118
1136	K	27.5	Very low	29.9	Very low	173 Å²	173	144.5 Å²	144.5	75%	0.752	77%	0.774	S	S	*	*			cis	-164.3	126.8	-12	-121.6	-178.2	-179.1	-176.9	0	109.3
1137	L	28	Very low	29.8	Very low	164 Å²	164	147.3 Å²	147.3	86%	0.859	78%	0.778	S	S	*	*			trans	60.9	175.3	155	-57.1	171.8	0	0	0	117.9
1138	A	27.4	Very low	30	Very low	89 Å²	89	145.3 Å²	145.3	74%	0.736	77%	0.774	S	S	*	*				-161.3	171	-51.8	0	0	0	0	0	111.6
1139	R	31.9	Very low	30.4	Very low	242 Å²	242	146.4 Å²	146.4	91%	0.913	78%	0.777	S	S	*	*			trans	-30	158.4	169.6	-124.8	172.2	-174.2	147.3	-2.2	119.1
1140	S	28.2	Very low	30.4	Very low	100 Å²	100	146.7 Å²	146.7	70%	0.699	78%	0.779	S	S	*	*			trans	-65.6	175.5	157.6	53.7	0	0	0	0	113.3
1141	P	44.3	Very low	30.5	Very low	116 Å²	116	143.7 Å²	143.7	75%	0.753	78%	0.78	S	S	*	*			cis	-132.4	174.7	-9.1	38.5	-21.6	0	0	0	115.9
1142	A	25.8	Very low	30.4	Very low	92 Å²	92	146.2 Å²	146.2	76%	0.76	78%	0.784	S	S	*	*			trans	76.3	142.2	148.7	0	0	0	0	0	123.1
1143	R	32	Very low	30.2	Very low	235 Å²	235	148.1 Å²	148.1	89%	0.887	78%	0.778	S	S	*	*			trans	79.8	143.5	149.7	-81.6	-170.9	-178.4	-163.7	2.1	122.5
1144	I	25.1	Very low	30.1	Very low	161 Å²	161	145.5 Å²	145.5	83%	0.826	77%	0.773	S	S	*	*			trans	65.7	144.2	161.8	-6.4	-179.3	0	0	0	121.5
1145	S	39.2	Very low	30.2	Very low	108 Å²	108	149.9 Å²	149.9	76%	0.755	78%	0.782	S	S	*	*			trans	-64.6	151.1	162.2	-178.2	0	0	0	0	112.5
1146	P	37.6	Very low	30.2	Very low	114 Å²	114	149.7 Å²	149.7	74%	0.74	78%	0.781	S	S	*	*			trans	-120.6	108.8	-176.9	37.3	-23.3	0	0	0	116.2
1147	H	23.7	Very low	30.4	Very low	179 Å²	179	153.1 Å²	153.1	83%	0.829	79%	0.789	S	S	*	*			trans	170.3	141.2	134.2	-117.4	14.4	0	0	0	109.3
1148	I	30	Very low	30.4	Very low	125 Å²	125	151.8 Å²	151.8	64%	0.641	78%	0.779	S	S	*	*			cis	-142.5	134.1	14.3	-65.2	-175.5	0	0	0	111
1149	K	31.4	Very low	30.5	Very low	181 Å²	181	154.8 Å²	154.8	79%	0.787	78%	0.775	S	S	*	*			trans	50.5	147	152.6	-66	176.2	179.4	-175.5	0	126.1
1150	D	27.5	Very low	30.6	Very low	158 Å²	158	151.1 Å²	151.1	85%	0.845	77%	0.768	S	S	*	*			trans	72.7	150	140.6	-81.1	-52.4	0	0	0	122.6
1151	G	28	Very low	31.1	Very low	72 Å²	72	151.7 Å²	151.7	74%	0.742	77%	0.769	S	S	*	*			trans	116.3	82.8	148.9	0	0	0	0	0	120.7
1152	E	28	Very low	30.3	Very low	170 Å²	170	153.8 Å²	153.8	79%	0.794	77%	0.774	S	S	*	*			trans	58.3	-154.3	142.1	-108.9	-163.8	128.4	0	0	122.6
1153	K	28.2	Very low	30.6	Very low	158 Å²	158	155.3 Å²	155.3	69%	0.687	78%	0.78	S	S	*	*			trans	-121	161.3	-153.9	-47.1	157	-166.3	132	0	111.3
1154	D	28.2	Very low	30.7	Very low	149 Å²	149	149 Å²	149	80%	0.797	77%	0.772	S	S	*	*				167.2	-173.3	91	-142.3	-37.7	0	0	0	111.5
1155	K	31.3	Very low	31.7	Very low	189 Å²	189	147.1 Å²	147.1	82%	0.822	77%	0.769	S	S	*	*			trans	-104.4	131.2	174.7	-53.8	169.5	-175.6	170.4	0	111.4
1156	H	30.2	Very low	32.1	Very low	168 Å²	168	153.8 Å²	153.8	78%	0.778	78%	0.778	S	S	*	*				-156.5	162.4	124.3	-141	-114.8	0	0	0	110.9	E1158	H1156-E1158 IonicContact CE1-OE2 2.66Å
1157	R	31.6	Very low	32.5	Very low	245 Å²	245	153 Å²	153	93%	0.925	77%	0.772	S	S	*	*			trans	-143.7	94.5	174	-173.3	-173.4	-170.8	-129.8	2.3	109.7
1158	E	28.5	Very low	34.1	Very low	137 Å²	137	152.3 Å²	152.3	64%	0.64	76%	0.763	S	S	*	*			trans	-138.6	123.4	173.8	-130.5	-178.3	148.8	0	0	113.5	H1156	H1156-E1158 IonicContact CE1-OE2 2.66Å
1159	K	30	Very low	36.2	Very low	151 Å²	151	153 Å²	153	66%	0.657	76%	0.761	S	S	*	*			trans	50.1	118.4	140.4	-78.7	-179.7	177.8	170.9	0	123.3
1160	H	33.7	Very low	38.2	Very low	165 Å²	165	147.1 Å²	147.1	76%	0.764	73%	0.734	S	S	*	*			trans	69	164.6	145.1	-53.2	-55	0	0	0	117.8
1161	P	39.8	Very low	40.3	Very low	112 Å²	112	143.1 Å²	143.1	73%	0.727	72%	0.718	S	S	*	*			cis	-122.8	-174.2	-5.4	41	-25.8	0	0	0	114.9
1162	N	27.5	Very low	42.6	Very low	161 Å²	161	143.7 Å²	143.7	86%	0.861	70%	0.701	S	S	*	*			trans	6.1	132.4	158.2	-54.4	-6.7	0	0	0	120.6
1163	S	31.9	Very low	44.7	Very low	124 Å²	124	141 Å²	141	87%	0.867	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-100.9	126.6	162.2	-176.8	0	0	0	0	110.6
1164	S	33.7	Very low	46.8	Very low	103 Å²	103	139.2 Å²	139.2	72%	0.72	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-81.3	169.5	171	48.3	0	0	0	0	112.3
1165	P	45.7	Very low	48.7	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-65.8	154.3	177.4	-21.3	34.4	0	0	0	113.5	T1167	P1165-T1167 PolarHBondContact O-N 2.69Å
1166	R	48.5	Very low	50.6	Low	248 Å²	248	133.7 Å²	133.7	94%	0.936	66%	0.661	S	S	*	*			trans	-75.7	106.5	-179	-171.3	-175.1	-165.6	-151.6	4.5	110.7
1167	T	45.8	Very low	52.8	Low	99 Å²	99	126.2 Å²	126.2	61%	0.607	63%	0.627	S	S	*	*			trans	-60.8	147.6	174.3	48.3	0	0	0	0	112.1	P1165	P1165-T1167 PolarHBondContact O-N 2.69Å
1168	Y	57.6	Low	55	Low	163 Å²	163	118.8 Å²	118.8	64%	0.639	61%	0.605	S	S	*	*			trans	-82.5	152.2	-179.6	-176.5	-116.2	0	0	0	110.9	W1170 S1171	Y1168-W1170 HydrophobicContact CD1-CB 4.1Å; Y1168-W1170 HydrophobicContact CE1-CB 4.08Å; Y1168-W1170 AromaticContact CE1-CD1 3.57Å; Y1168-W1170 HydrophobicContact CE1-CG 4.23Å; Y1168-W1170 PolarHBondContact O-N 3.23Å; Y1168-S1171 PolarHBondContact O-N 3.2Å
1169	K	72.9	Confident	57.6	Low	139 Å²	139	119 Å²	119	60%	0.604	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-15.4	-170.7	-166.3	-110.7	167.8	-163	0	114.4	E1195	K1169-E1195 IonicContact NZ-OE1 2.83Å; K1169-E1195 PolarHBondContact NZ-OE1 2.94Å
1170	W	73.1	Confident	60.4	Low	59 Å²	59	114.8 Å²	114.8	22%	0.223	59%	0.594	C	S	.	*	T	Hydrogen-bonded Turn	trans	-112	8.2	179	-55.6	114.6	0	0	0	113.1	Y1168 E1195 I1196 Y1199	Y1168-W1170 HydrophobicContact CD1-CB 4.1Å; Y1168-W1170 HydrophobicContact CE1-CB 4.08Å; Y1168-W1170 AromaticContact CE1-CD1 3.57Å; Y1168-W1170 HydrophobicContact CE1-CG 4.23Å; Y1168-W1170 PolarHBondContact O-N 3.23Å; W1170-E1195 HydrophobicContact CH2-CG 3.92Å; W1170-E1195 WeakPolarHBondContact CH2-OE1 3.47Å; W1170-E1195 HydrophobicContact CZ3-CB 4.18Å; W1170-E1195 VanDerWaalsContact CZ3-CD 3.44Å; W1170-E1195 HydrophobicContact CZ3-CG 3.87Å; W1170-E1195 WeakPolarHBondContact CZ3-OE1 3.34Å; W1170-I1196 HydrophobicContact CD2-CD1 4.45Å; W1170-I1196 HydrophobicContact CD2-CG1 3.96Å; W1170-I1196 HydrophobicContact CE3-CD1 4.08Å; W1170-I1196 HydrophobicContact CE3-CG1 3.54Å; W1170-I1196 HydrophobicContact CH2-CG1 4.24Å; W1170-I1196 HydrophobicContact CZ3-CG1 3.69Å; W1170-Y1199 AromaticContact CZ2-CD1 3.81Å; W1170-Y1199 HydrophobicContact CZ2-CD1 3.81Å; W1170-Y1199 HydrophobicContact CZ2-CE1 4.4Å; W1170-Y1199 HydrophobicContact CZ2-CG 4.02Å
1171	S	72.3	Confident	63	Low	73 Å²	73	111.6 Å²	111.6	51%	0.51	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-100.2	119.6	173.4	-55.6	0	0	0	0	110.3	Y1168	Y1168-S1171 PolarHBondContact O-N 3.2Å
1172	F	75.4	Confident	65.3	Low	85 Å²	85	109.4 Å²	109.4	37%	0.373	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-97.8	161.3	169.5	45.7	-95.5	0	0	0	110.3	L1177 F1188 L1189	F1172-L1177 HydrophobicContact CB-CD1 4.49Å; F1172-L1177 HydrophobicContact CD2-CD1 3.45Å; F1172-L1177 VanDerWaalsContact CD2-CD1 3.45Å; F1172-L1177 HydrophobicContact CD2-CD2 4.06Å; F1172-L1177 HydrophobicContact CD2-CG 4.43Å; F1172-L1177 HydrophobicContact CE2-CD1 3.93Å; F1172-L1177 HydrophobicContact CE2-CD2 3.63Å; F1172-L1177 HydrophobicContact CE2-CG 4.47Å; F1172-L1177 HydrophobicContact CG-CD1 4.14Å; F1172-L1177 HydrophobicContact CZ-CD2 4.44Å; F1172-F1188 HydrophobicContact CD1-CE1 4.44Å; F1172-F1188 HydrophobicContact CG-CE1 4.37Å; F1172-L1189 HydrophobicContact CE1-CD2 4Å; F1172-L1189 HydrophobicContact CE2-CD2 4.14Å; F1172-L1189 HydrophobicContact CZ-CD2 3.49Å; F1172-L1189 VanDerWaalsContact CZ-CD2 3.49Å
1173	Q	73.3	Confident	68.4	Low	113 Å²	113	105.9 Å²	105.9	53%	0.528	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-90.5	137.8	177.3	-63.5	-175.9	8.2	0	0	110.1	N1175 E1176	Q1173-N1175 PolarHBondContact O-N 3.21Å; Q1173-E1176 HydrophobicContact CB-CG 4.23Å; Q1173-E1176 PolarHBondContact N-OE2 2.83Å; Q1173-E1176 VanDerWaalsContact N-OE2 3.11Å; Q1173-E1176 WeakPolarHBondContact O-CB 3.16Å; Q1173-E1176 PolarHBondContact O-N 3.31Å
1174	L	71.1	Confident	71.2	Confident	121 Å²	121	104.9 Å²	104.9	63%	0.634	54%	0.536	S	S	*	.	H	α-helix	trans	-58.4	-36.8	-176	-152.7	70.4	0	0	0	111.8	E1176 L1177 D1178	L1174-E1176 PolarHBondContact O-N 3.28Å; L1174-E1176 VanDerWaalsContact O-N 3.12Å; L1174-L1177 WeakPolarHBondContact O-CA 3.38Å; L1174-L1177 WeakPolarHBondContact O-CB 3.32Å; L1174-L1177 PolarHBondContact O-N 3.19Å; L1174-D1178 PolarHBondContact O-N 2.88Å
1175	N	69.7	Low	73.9	Confident	107 Å²	107	103.9 Å²	103.9	57%	0.572	52%	0.517	S	S	*	.	H	α-helix	trans	-59.1	-22.3	175.1	-53.3	97.3	0	0	0	114.5	Q1173 D1178 N1179	Q1173-N1175 PolarHBondContact O-N 3.21Å; N1175-D1178 WeakPolarHBondContact CA-OD2 3.47Å; N1175-N1179 PolarHBondContact O-ND2 2.98Å
1176	E	70.9	Confident	76	Confident	114 Å²	114	102.6 Å²	102.6	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-75.2	-30.8	174	-63	176.6	131.5	0	0	111.1	Q1173 L1174 M1180	Q1173-E1176 HydrophobicContact CB-CG 4.23Å; Q1173-E1176 PolarHBondContact N-OE2 2.83Å; Q1173-E1176 VanDerWaalsContact N-OE2 3.11Å; Q1173-E1176 WeakPolarHBondContact O-CB 3.16Å; Q1173-E1176 PolarHBondContact O-N 3.31Å; L1174-E1176 PolarHBondContact O-N 3.28Å; L1174-E1176 VanDerWaalsContact O-N 3.12Å; E1176-M1180 WeakPolarHBondContact O-CG 3.37Å
1177	L	76.1	Confident	78	Confident	11 Å²	11	93.9 Å²	93.9	6%	0.058	48%	0.48	C	S	.	.	H	α-helix	trans	-82.9	-35.4	178.2	-80.8	63.9	0	0	0	112	F1172 L1174 N1179 M1180 R1185 F1188 L1189	F1172-L1177 HydrophobicContact CB-CD1 4.49Å; F1172-L1177 HydrophobicContact CD2-CD1 3.45Å; F1172-L1177 VanDerWaalsContact CD2-CD1 3.45Å; F1172-L1177 HydrophobicContact CD2-CD2 4.06Å; F1172-L1177 HydrophobicContact CD2-CG 4.43Å; F1172-L1177 HydrophobicContact CE2-CD1 3.93Å; F1172-L1177 HydrophobicContact CE2-CD2 3.63Å; F1172-L1177 HydrophobicContact CE2-CG 4.47Å; F1172-L1177 HydrophobicContact CG-CD1 4.14Å; F1172-L1177 HydrophobicContact CZ-CD2 4.44Å; L1174-L1177 WeakPolarHBondContact O-CA 3.38Å; L1174-L1177 WeakPolarHBondContact O-CB 3.32Å; L1174-L1177 PolarHBondContact O-N 3.19Å; L1177-N1179 PolarHBondContact O-N 3.45Å; L1177-M1180 PolarHBondContact O-N 2.93Å; L1177-R1185 HydrophobicContact CB-CG 4.02Å; L1177-R1185 HydrophobicContact CD2-CG 4.08Å; L1177-R1185 HydrophobicContact CG-CG 4.01Å; L1177-R1185 VanDerWaalsContact O-CZ 3.29Å; L1177-R1185 PolarHBondContact O-NE 3.3Å; L1177-R1185 PolarHBondContact O-NH2 3.24Å; L1177-F1188 HydrophobicContact CD1-CD1 4.28Å; L1177-F1188 HydrophobicContact CD1-CE1 3.96Å; L1177-L1189 HydrophobicContact CD2-CD1 4.23Å; L1177-L1189 HydrophobicContact CD2-CD2 4.1Å; L1177-L1189 HydrophobicContact CD2-CG 4.29Å
1178	D	78.1	Confident	80.1	Confident	89 Å²	89	91.8 Å²	91.8	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-57.1	-33.3	-179.9	-64.7	-32.7	0	0	0	112.4	L1174 N1175 R1185	L1174-D1178 PolarHBondContact O-N 2.88Å; N1175-D1178 WeakPolarHBondContact CA-OD2 3.47Å; D1178-R1185 PolarHBondContact O-NH2 3.48Å
1179	N	81.9	Confident	81.7	Confident	142 Å²	142	87.2 Å²	87.2	76%	0.759	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.3	179.6	-72.3	-78.6	0	0	0	114.4	N1175 L1177	N1175-N1179 PolarHBondContact O-ND2 2.98Å; L1177-N1179 PolarHBondContact O-N 3.45Å
1180	M	88.8	Confident	82.5	Confident	62 Å²	62	85.7 Å²	85.7	31%	0.305	44%	0.443	S	S	.	.	S	Bend	trans	-95.3	145.4	176.3	-55.3	-165.3	95.9	0	0	111.1	E1176 L1177 E1184 R1185 F1188	E1176-M1180 WeakPolarHBondContact O-CG 3.37Å; L1177-M1180 PolarHBondContact O-N 2.93Å; M1180-E1184 HydrophobicContact CB-CB 4.07Å; M1180-E1184 HydrophobicContact CE-CB 4.1Å; M1180-R1185 HydrophobicContact CB-CB 4.28Å; M1180-R1185 PolarHBondContact O-NH2 3.23Å; M1180-F1188 HydrophobicContact SD-CB 4.16Å; M1180-F1188 HydrophobicContact SD-CG 4.34Å
1181	N	89.4	Confident	83.4	Confident	98 Å²	98	88.5 Å²	88.5	52%	0.524	46%	0.459	S	S	.	.			trans	-63.9	157.3	170	-173.2	33.4	0	0	0	110.7	T1183 E1184 R1185	N1181-T1183 VanDerWaalsContact C-N 3.3Å; N1181-T1183 PolarHBondContact O-N 2.74Å; N1181-E1184 HydrophobicContact CB-CG 4.21Å; N1181-E1184 WeakPolarHBondContact CB-OE2 3.43Å; N1181-E1184 PolarHBondContact N-OE2 2.91Å; N1181-E1184 WeakPolarHBondContact O-CB 3.29Å; N1181-E1184 PolarHBondContact O-N 2.71Å; N1181-R1185 PolarHBondContact O-N 2.9Å
1182	S	87	Confident	84.3	Confident	67 Å²	67	87.6 Å²	87.6	47%	0.469	45%	0.446	S	S	.	.	H	α-helix	trans	-52.5	-45.6	-175.8	57.8	0	0	0	0	113	E1184 R1185 I1186	S1182-E1184 VanDerWaalsContact C-N 3.34Å; S1182-E1184 PolarHBondContact O-N 3.18Å; S1182-R1185 PolarHBondContact O-N 2.94Å; S1182-I1186 WeakPolarHBondContact O-CD1 3.46Å; S1182-I1186 VanDerWaalsContact O-CG1 3.26Å; S1182-I1186 WeakPolarHBondContact O-CG1 3.36Å; S1182-I1186 PolarHBondContact O-N 3.43Å
1183	T	92.3	Very high	85.2	Confident	87 Å²	87	87.5 Å²	87.5	53%	0.534	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-37.2	177.7	-31.9	0	0	0	0	112.8	N1181 S1187	N1181-T1183 VanDerWaalsContact C-N 3.3Å; N1181-T1183 PolarHBondContact O-N 2.74Å; T1183-S1187 WeakPolarHBondContact O-CB 3.27Å; T1183-S1187 PolarHBondContact O-N 2.82Å; T1183-S1187 PolarHBondContact O-OG 3.04Å
1184	E	91.3	Very high	86.1	Confident	103 Å²	103	88 Å²	88	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-74	-41.2	179.5	-60.9	175.6	132.3	0	0	111	M1180 N1181 S1182 S1187 F1188	M1180-E1184 HydrophobicContact CB-CB 4.07Å; M1180-E1184 HydrophobicContact CE-CB 4.1Å; N1181-E1184 HydrophobicContact CB-CG 4.21Å; N1181-E1184 WeakPolarHBondContact CB-OE2 3.43Å; N1181-E1184 PolarHBondContact N-OE2 2.91Å; N1181-E1184 WeakPolarHBondContact O-CB 3.29Å; N1181-E1184 PolarHBondContact O-N 2.71Å; S1182-E1184 VanDerWaalsContact C-N 3.34Å; S1182-E1184 PolarHBondContact O-N 3.18Å; E1184-S1187 PolarHBondContact O-N 2.99Å; E1184-F1188 WeakPolarHBondContact O-CB 3.24Å; E1184-F1188 PolarHBondContact O-N 2.81Å
1185	R	90.6	Very high	87.1	Confident	82 Å²	82	85.6 Å²	85.6	31%	0.309	44%	0.437	S	S	.	.	H	α-helix	trans	-60.6	-45.2	174.8	-169.5	-177.3	-59.6	152	4.2	111.6	L1177 D1178 M1180 N1181 S1182 F1188 L1189	L1177-R1185 HydrophobicContact CB-CG 4.02Å; L1177-R1185 HydrophobicContact CD2-CG 4.08Å; L1177-R1185 HydrophobicContact CG-CG 4.01Å; L1177-R1185 VanDerWaalsContact O-CZ 3.29Å; L1177-R1185 PolarHBondContact O-NE 3.3Å; L1177-R1185 PolarHBondContact O-NH2 3.24Å; D1178-R1185 PolarHBondContact O-NH2 3.48Å; M1180-R1185 HydrophobicContact CB-CB 4.28Å; M1180-R1185 PolarHBondContact O-NH2 3.23Å; N1181-R1185 PolarHBondContact O-N 2.9Å; S1182-R1185 PolarHBondContact O-N 2.94Å; R1185-F1188 PolarHBondContact O-N 2.7Å; R1185-L1189 HydrophobicContact CG-CD1 4.37Å; R1185-L1189 WeakPolarHBondContact O-CB 3.33Å; R1185-L1189 WeakPolarHBondContact O-CG 3.38Å; R1185-L1189 PolarHBondContact O-N 3.29Å
1186	I	89.2	Confident	88.3	Confident	93 Å²	93	83.9 Å²	83.9	48%	0.477	43%	0.427	S	S	.	.	H	α-helix	trans	-61	-47.5	173.7	-69.2	164.2	0	0	0	110.3	S1182 F1188 L1189 Q1190	S1182-I1186 WeakPolarHBondContact O-CD1 3.46Å; S1182-I1186 VanDerWaalsContact O-CG1 3.26Å; S1182-I1186 WeakPolarHBondContact O-CG1 3.36Å; S1182-I1186 PolarHBondContact O-N 3.43Å; I1186-F1188 PolarHBondContact O-N 3.23Å; I1186-L1189 PolarHBondContact O-N 3.25Å; I1186-Q1190 HydrophobicContact CG2-CG 4.4Å; I1186-Q1190 WeakPolarHBondContact O-CB 3.46Å; I1186-Q1190 VanDerWaalsContact O-CG 3.29Å; I1186-Q1190 WeakPolarHBondContact O-CG 3.2Å; I1186-Q1190 PolarHBondContact O-N 2.71Å
1187	S	92.2	Very high	89.4	Confident	65 Å²	65	86.1 Å²	86.1	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-60.7	-43.9	179.3	-59	0	0	0	0	112.4	T1183 E1184 Q1190 E1191	T1183-S1187 WeakPolarHBondContact O-CB 3.27Å; T1183-S1187 PolarHBondContact O-N 2.82Å; T1183-S1187 PolarHBondContact O-OG 3.04Å; E1184-S1187 PolarHBondContact O-N 2.99Å; S1187-Q1190 PolarHBondContact O-N 2.63Å; S1187-E1191 WeakPolarHBondContact O-CB 3.31Å; S1187-E1191 PolarHBondContact O-N 3.5Å
1188	F	89.4	Confident	90.3	Very high	54 Å²	54	93.5 Å²	93.5	24%	0.237	46%	0.462	C	S	.	.	H	α-helix	trans	-63.5	-45.8	177.2	176.1	-97.5	0	0	0	112.1	F1172 L1177 M1180 E1184 R1185 I1186 Q1190 E1191 K1192	F1172-F1188 HydrophobicContact CD1-CE1 4.44Å; F1172-F1188 HydrophobicContact CG-CE1 4.37Å; L1177-F1188 HydrophobicContact CD1-CD1 4.28Å; L1177-F1188 HydrophobicContact CD1-CE1 3.96Å; M1180-F1188 HydrophobicContact SD-CB 4.16Å; M1180-F1188 HydrophobicContact SD-CG 4.34Å; E1184-F1188 WeakPolarHBondContact O-CB 3.24Å; E1184-F1188 PolarHBondContact O-N 2.81Å; R1185-F1188 PolarHBondContact O-N 2.7Å; I1186-F1188 PolarHBondContact O-N 3.23Å; F1188-Q1190 PolarHBondContact O-N 2.91Å; F1188-E1191 PolarHBondContact O-N 2.76Å; F1188-K1192 HydrophobicContact CD1-CG 4.31Å; F1188-K1192 HydrophobicContact CE1-CG 3.95Å; F1188-K1192 HydrophobicContact CE2-CG 4.38Å; F1188-K1192 HydrophobicContact CZ-CD 4.24Å; F1188-K1192 HydrophobicContact CZ-CG 4Å; F1188-K1192 WeakPolarHBondContact O-CG 3.28Å; F1188-K1192 PolarHBondContact O-N 2.8Å
1189	L	91	Very high	91.1	Very high	68 Å²	68	95 Å²	95	36%	0.356	46%	0.462	S	S	.	.	H	α-helix	trans	-63.7	-40.6	176.7	-74.1	171.7	0	0	0	111.8	F1172 L1177 R1185 I1186 K1192 L1193	F1172-L1189 HydrophobicContact CE1-CD2 4Å; F1172-L1189 HydrophobicContact CE2-CD2 4.14Å; F1172-L1189 HydrophobicContact CZ-CD2 3.49Å; F1172-L1189 VanDerWaalsContact CZ-CD2 3.49Å; L1177-L1189 HydrophobicContact CD2-CD1 4.23Å; L1177-L1189 HydrophobicContact CD2-CD2 4.1Å; L1177-L1189 HydrophobicContact CD2-CG 4.29Å; R1185-L1189 HydrophobicContact CG-CD1 4.37Å; R1185-L1189 WeakPolarHBondContact O-CB 3.33Å; R1185-L1189 WeakPolarHBondContact O-CG 3.38Å; R1185-L1189 PolarHBondContact O-N 3.29Å; I1186-L1189 PolarHBondContact O-N 3.25Å; L1189-K1192 PolarHBondContact O-N 2.74Å; L1189-L1193 WeakPolarHBondContact O-CB 3.4Å; L1189-L1193 PolarHBondContact O-N 3.31Å
1190	Q	90.3	Very high	91.8	Very high	106 Å²	106	94.7 Å²	94.7	50%	0.495	45%	0.451	S	S	.	.	H	α-helix	trans	-64	-42	173.7	-72.6	177.5	1.1	0	0	111.9	I1186 S1187 F1188 L1193 Q1194	I1186-Q1190 HydrophobicContact CG2-CG 4.4Å; I1186-Q1190 WeakPolarHBondContact O-CB 3.46Å; I1186-Q1190 VanDerWaalsContact O-CG 3.29Å; I1186-Q1190 WeakPolarHBondContact O-CG 3.2Å; I1186-Q1190 PolarHBondContact O-N 2.71Å; S1187-Q1190 PolarHBondContact O-N 2.63Å; F1188-Q1190 PolarHBondContact O-N 2.91Å; Q1190-L1193 PolarHBondContact O-N 2.96Å; Q1190-Q1194 WeakPolarHBondContact O-CB 3.37Å; Q1190-Q1194 VanDerWaalsContact O-CG 3.27Å; Q1190-Q1194 WeakPolarHBondContact O-CG 3.49Å; Q1190-Q1194 PolarHBondContact O-N 3.04Å
1191	E	92.1	Very high	92.1	Very high	118 Å²	118	96.4 Å²	96.4	55%	0.551	46%	0.459	S	S	*	.	H	α-helix	trans	-62.6	-45.8	174.4	-170.2	-170.4	179.7	0	0	111.5	S1187 F1188 L1193 Q1194 E1195	S1187-E1191 WeakPolarHBondContact O-CB 3.31Å; S1187-E1191 PolarHBondContact O-N 3.5Å; F1188-E1191 PolarHBondContact O-N 2.76Å; E1191-L1193 PolarHBondContact O-N 3.31Å; E1191-Q1194 CarbonylContact O-C 3.52Å; E1191-Q1194 PolarHBondContact O-N 3.2Å; E1191-E1195 PolarHBondContact O-N 2.79Å
1192	K	90.6	Very high	92.3	Very high	54 Å²	54	94.8 Å²	94.8	24%	0.235	46%	0.456	C	S	.	.	H	α-helix	trans	-60.9	-43	176	-71.3	-58.5	109.3	-170.8	0	111.8	F1188 L1189 Q1194 E1195 I1196	F1188-K1192 HydrophobicContact CD1-CG 4.31Å; F1188-K1192 HydrophobicContact CE1-CG 3.95Å; F1188-K1192 HydrophobicContact CE2-CG 4.38Å; F1188-K1192 HydrophobicContact CZ-CD 4.24Å; F1188-K1192 HydrophobicContact CZ-CG 4Å; F1188-K1192 WeakPolarHBondContact O-CG 3.28Å; F1188-K1192 PolarHBondContact O-N 2.8Å; L1189-K1192 PolarHBondContact O-N 2.74Å; K1192-Q1194 VanDerWaalsContact C-N 3.33Å; K1192-Q1194 PolarHBondContact O-N 2.77Å; K1192-E1195 IonicContact NZ-OE2 3.86Å; K1192-E1195 PolarHBondContact NZ-OE2 2.79Å; K1192-E1195 PolarHBondContact O-N 2.74Å; K1192-I1196 WeakPolarHBondContact O-CG1 3.36Å; K1192-I1196 PolarHBondContact O-N 2.92Å
1193	L	93.1	Very high	92.8	Very high	83 Å²	83	94.8 Å²	94.8	44%	0.435	45%	0.45	S	S	.	.	H	α-helix	trans	-64.7	-37.3	176.3	-175	59.8	0	0	0	111.7	L1189 Q1190 E1191 I1196 R1197	L1189-L1193 WeakPolarHBondContact O-CB 3.4Å; L1189-L1193 PolarHBondContact O-N 3.31Å; Q1190-L1193 PolarHBondContact O-N 2.96Å; E1191-L1193 PolarHBondContact O-N 3.31Å; L1193-I1196 PolarHBondContact O-N 2.85Å; L1193-R1197 WeakPolarHBondContact O-CB 3.18Å; L1193-R1197 VanDerWaalsContact O-CG 3.24Å; L1193-R1197 WeakPolarHBondContact O-CG 3.4Å; L1193-R1197 PolarHBondContact O-N 3.44Å
1194	Q	93.3	Very high	92.9	Very high	124 Å²	124	96.5 Å²	96.5	58%	0.579	45%	0.45	S	S	*	.	H	α-helix	trans	-66.9	-39.5	171.4	-72	177.6	32.1	0	0	112.4	Q1190 E1191 K1192 I1196 R1197 K1198	Q1190-Q1194 WeakPolarHBondContact O-CB 3.37Å; Q1190-Q1194 VanDerWaalsContact O-CG 3.27Å; Q1190-Q1194 WeakPolarHBondContact O-CG 3.49Å; Q1190-Q1194 PolarHBondContact O-N 3.04Å; E1191-Q1194 CarbonylContact O-C 3.52Å; E1191-Q1194 PolarHBondContact O-N 3.2Å; K1192-Q1194 VanDerWaalsContact C-N 3.33Å; K1192-Q1194 PolarHBondContact O-N 2.77Å; Q1194-I1196 VanDerWaalsContact C-N 3.34Å; Q1194-I1196 PolarHBondContact O-N 3.35Å; Q1194-R1197 PolarHBondContact O-N 2.87Å; Q1194-K1198 WeakPolarHBondContact O-CB 3.42Å; Q1194-K1198 PolarHBondContact O-N 3.23Å
1195	E	92.7	Very high	93	Very high	70 Å²	70	94.8 Å²	94.8	33%	0.327	45%	0.45	S	S	.	.	H	α-helix	trans	-60.4	-43.9	174.4	-163.4	-166.4	152.9	0	0	110.8	K1169 W1170 E1191 K1192 K1198 Y1199	K1169-E1195 IonicContact NZ-OE1 2.83Å; K1169-E1195 PolarHBondContact NZ-OE1 2.94Å; W1170-E1195 HydrophobicContact CH2-CG 3.92Å; W1170-E1195 WeakPolarHBondContact CH2-OE1 3.47Å; W1170-E1195 HydrophobicContact CZ3-CB 4.18Å; W1170-E1195 VanDerWaalsContact CZ3-CD 3.44Å; W1170-E1195 HydrophobicContact CZ3-CG 3.87Å; W1170-E1195 WeakPolarHBondContact CZ3-OE1 3.34Å; E1191-E1195 PolarHBondContact O-N 2.79Å; K1192-E1195 IonicContact NZ-OE2 3.86Å; K1192-E1195 PolarHBondContact NZ-OE2 2.79Å; K1192-E1195 PolarHBondContact O-N 2.74Å; E1195-K1198 PolarHBondContact O-N 3.24Å; E1195-Y1199 WeakPolarHBondContact O-CB 3.4Å; E1195-Y1199 PolarHBondContact O-N 3.45Å
1196	I	94.6	Very high	93.3	Very high	71 Å²	71	95.9 Å²	95.9	36%	0.364	46%	0.458	S	S	.	.	H	α-helix	trans	-65.2	-49	176.6	-67.6	166.3	0	0	0	111	W1170 K1192 L1193 Q1194 K1198 Y1199 Y1200	W1170-I1196 HydrophobicContact CD2-CD1 4.45Å; W1170-I1196 HydrophobicContact CD2-CG1 3.96Å; W1170-I1196 HydrophobicContact CE3-CD1 4.08Å; W1170-I1196 HydrophobicContact CE3-CG1 3.54Å; W1170-I1196 HydrophobicContact CH2-CG1 4.24Å; W1170-I1196 HydrophobicContact CZ3-CG1 3.69Å; K1192-I1196 WeakPolarHBondContact O-CG1 3.36Å; K1192-I1196 PolarHBondContact O-N 2.92Å; L1193-I1196 PolarHBondContact O-N 2.85Å; Q1194-I1196 VanDerWaalsContact C-N 3.34Å; Q1194-I1196 PolarHBondContact O-N 3.35Å; I1196-K1198 VanDerWaalsContact C-N 3.3Å; I1196-K1198 PolarHBondContact O-N 3Å; I1196-Y1199 PolarHBondContact O-N 3.49Å; I1196-Y1200 PolarHBondContact O-N 3.01Å
1197	R	93.2	Very high	93.6	Very high	161 Å²	161	96 Å²	96	61%	0.608	46%	0.463	S	S	*	.	H	α-helix	trans	-57.5	-42.2	176.2	-74.5	171.1	178.7	-173.2	0.3	111.5	L1193 Q1194 Y1200 M1201	L1193-R1197 WeakPolarHBondContact O-CB 3.18Å; L1193-R1197 VanDerWaalsContact O-CG 3.24Å; L1193-R1197 WeakPolarHBondContact O-CG 3.4Å; L1193-R1197 PolarHBondContact O-N 3.44Å; Q1194-R1197 PolarHBondContact O-N 2.87Å; R1197-Y1200 PolarHBondContact O-N 3.26Å; R1197-M1201 WeakPolarHBondContact O-CG 3.5Å; R1197-M1201 PolarHBondContact O-N 2.85Å
1198	K	95.6	Very high	93.7	Very high	166 Å²	166	94.9 Å²	94.9	72%	0.722	46%	0.458	S	S	*	.	H	α-helix	trans	-66.3	-40.6	176.4	-173.6	174	-176.4	173.5	0	112.3	Q1194 E1195 I1196 M1201 S1202	Q1194-K1198 WeakPolarHBondContact O-CB 3.42Å; Q1194-K1198 PolarHBondContact O-N 3.23Å; E1195-K1198 PolarHBondContact O-N 3.24Å; I1196-K1198 VanDerWaalsContact C-N 3.3Å; I1196-K1198 PolarHBondContact O-N 3Å; K1198-M1201 PolarHBondContact O-N 2.95Å; K1198-S1202 PolarHBondContact O-N 3.42Å
1199	Y	94.8	Very high	93.9	Very high	120 Å²	120	96.1 Å²	96.1	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-65.9	-42	175	-176.3	-115.6	0	0	0	112	W1170 E1195 I1196 S1202 L1203	W1170-Y1199 AromaticContact CZ2-CD1 3.81Å; W1170-Y1199 HydrophobicContact CZ2-CD1 3.81Å; W1170-Y1199 HydrophobicContact CZ2-CE1 4.4Å; W1170-Y1199 HydrophobicContact CZ2-CG 4.02Å; E1195-Y1199 WeakPolarHBondContact O-CB 3.4Å; E1195-Y1199 PolarHBondContact O-N 3.45Å; I1196-Y1199 PolarHBondContact O-N 3.49Å; Y1199-S1202 WeakPolarHBondContact O-CB 3.34Å; Y1199-S1202 PolarHBondContact O-N 3Å; Y1199-L1203 HydrophobicContact CD1-CD1 4.07Å; Y1199-L1203 HydrophobicContact CE1-CD1 3.58Å; Y1199-L1203 HydrophobicContact CE1-CG 4.24Å; Y1199-L1203 HydrophobicContact CE2-CG 4.38Å; Y1199-L1203 PolarHBondContact O-N 2.87Å
1200	Y	95.6	Very high	94.1	Very high	136 Å²	136	97.4 Å²	97.4	53%	0.533	48%	0.476	S	S	.	.	H	α-helix	trans	-61.6	-44.1	173.6	173	-112.6	0	0	0	112.3	I1196 R1197 S1202 L1203 K1204	I1196-Y1200 PolarHBondContact O-N 3.01Å; R1197-Y1200 PolarHBondContact O-N 3.26Å; Y1200-S1202 VanDerWaalsContact C-N 3.33Å; Y1200-S1202 PolarHBondContact O-N 2.88Å; Y1200-L1203 PolarHBondContact O-N 3.38Å; Y1200-K1204 WeakPolarHBondContact O-CB 3.5Å; Y1200-K1204 PolarHBondContact O-N 3.28Å
1201	M	95.2	Very high	94.2	Very high	99 Å²	99	94.8 Å²	94.8	49%	0.488	47%	0.466	S	S	.	.	H	α-helix	trans	-60.9	-39.9	172.4	-73	-61.8	110.7	0	0	112.4	R1197 K1198 K1204 S1205	R1197-M1201 WeakPolarHBondContact O-CG 3.5Å; R1197-M1201 PolarHBondContact O-N 2.85Å; K1198-M1201 PolarHBondContact O-N 2.95Å; M1201-K1204 HydrophobicContact CE-CD 3.91Å; M1201-K1204 PolarHBondContact O-N 3.07Å; M1201-K1204 HydrophobicContact SD-CD 4.39Å; M1201-S1205 PolarHBondContact O-N 2.89Å
1202	S	94.8	Very high	94.4	Very high	64 Å²	64	97.3 Å²	97.3	45%	0.448	47%	0.47	S	S	.	.	H	α-helix	trans	-59.1	-50.5	174.3	-168.5	0	0	0	0	111.4	K1198 Y1199 Y1200 K1204 S1205 E1206	K1198-S1202 PolarHBondContact O-N 3.42Å; Y1199-S1202 WeakPolarHBondContact O-CB 3.34Å; Y1199-S1202 PolarHBondContact O-N 3Å; Y1200-S1202 VanDerWaalsContact C-N 3.33Å; Y1200-S1202 PolarHBondContact O-N 2.88Å; S1202-K1204 PolarHBondContact O-N 3.03Å; S1202-S1205 PolarHBondContact O-N 2.81Å; S1202-S1205 PolarHBondContact O-OG 2.73Å; S1202-E1206 PolarHBondContact O-N 3.4Å
1203	L	96.5	Very high	94.5	Very high	66 Å²	66	104.2 Å²	104.2	35%	0.346	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-42	177.1	-71.2	175.1	0	0	0	112.3	Y1199 Y1200 S1205 E1206 V1207	Y1199-L1203 HydrophobicContact CD1-CD1 4.07Å; Y1199-L1203 HydrophobicContact CE1-CD1 3.58Å; Y1199-L1203 HydrophobicContact CE1-CG 4.24Å; Y1199-L1203 HydrophobicContact CE2-CG 4.38Å; Y1199-L1203 PolarHBondContact O-N 2.87Å; Y1200-L1203 PolarHBondContact O-N 3.38Å; L1203-S1205 VanDerWaalsContact C-N 3.28Å; L1203-S1205 PolarHBondContact O-N 3.26Å; L1203-E1206 PolarHBondContact O-N 2.82Å; L1203-E1206 VanDerWaalsContact O-N 3.16Å; L1203-V1207 WeakPolarHBondContact O-CG2 3.39Å; L1203-V1207 PolarHBondContact O-N 2.88Å
1204	K	94.6	Very high	94.6	Very high	123 Å²	123	107.6 Å²	107.6	54%	0.535	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-39.8	175.3	-171.3	173.8	-178.4	174.6	0	111.4	Y1200 M1201 S1202 A1208	Y1200-K1204 WeakPolarHBondContact O-CB 3.5Å; Y1200-K1204 PolarHBondContact O-N 3.28Å; M1201-K1204 HydrophobicContact CE-CD 3.91Å; M1201-K1204 PolarHBondContact O-N 3.07Å; M1201-K1204 HydrophobicContact SD-CD 4.39Å; S1202-K1204 PolarHBondContact O-N 3.03Å; K1204-A1208 PolarHBondContact O-N 3.27Å
1205	S	94.6	Very high	94.6	Very high	68 Å²	68	108.2 Å²	108.2	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-68.4	-42.1	173.6	84.3	0	0	0	0	112.3	M1201 S1202 L1203 A1208 T1209	M1201-S1205 PolarHBondContact O-N 2.89Å; S1202-S1205 PolarHBondContact O-N 2.81Å; S1202-S1205 PolarHBondContact O-OG 2.73Å; L1203-S1205 VanDerWaalsContact C-N 3.28Å; L1203-S1205 PolarHBondContact O-N 3.26Å; S1205-A1208 WeakPolarHBondContact O-CB 3.48Å; S1205-A1208 PolarHBondContact O-N 2.99Å; S1205-T1209 WeakPolarHBondContact O-CG2 3.33Å; S1205-T1209 PolarHBondContact O-N 3.19Å
1206	E	96.1	Very high	94.5	Very high	104 Å²	104	114 Å²	114	49%	0.486	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-49.5	179.8	-172.7	177	173.1	0	0	110.9	S1202 L1203 A1208 T1209 I1210	S1202-E1206 PolarHBondContact O-N 3.4Å; L1203-E1206 PolarHBondContact O-N 2.82Å; L1203-E1206 VanDerWaalsContact O-N 3.16Å; E1206-A1208 VanDerWaalsContact C-N 3.28Å; E1206-A1208 PolarHBondContact O-N 3.08Å; E1206-T1209 WeakPolarHBondContact O-CA 3.49Å; E1206-T1209 PolarHBondContact O-N 3.02Å; E1206-T1209 PolarHBondContact O-OG1 3.34Å; E1206-I1210 HydrophobicContact CG-CD1 4.09Å; E1206-I1210 WeakPolarHBondContact O-CG1 3.42Å; E1206-I1210 PolarHBondContact O-N 3.28Å
1207	V	95.9	Very high	94.1	Very high	95 Å²	95	116.6 Å²	116.6	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-54.8	-43.4	173.7	171.7	0	0	0	0	111.2	L1203 T1209 I1210 D1211	L1203-V1207 WeakPolarHBondContact O-CG2 3.39Å; L1203-V1207 PolarHBondContact O-N 2.88Å; V1207-T1209 PolarHBondContact O-N 2.83Å; V1207-I1210 PolarHBondContact O-N 3.45Å; V1207-D1211 PolarHBondContact O-N 2.99Å
1208	A	94	Very high	93.9	Very high	43 Å²	43	114.5 Å²	114.5	36%	0.355	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-36.1	175.7	0	0	0	0	0	112.8	K1204 S1205 E1206 R1212	K1204-A1208 PolarHBondContact O-N 3.27Å; S1205-A1208 WeakPolarHBondContact O-CB 3.48Å; S1205-A1208 PolarHBondContact O-N 2.99Å; E1206-A1208 VanDerWaalsContact C-N 3.28Å; E1206-A1208 PolarHBondContact O-N 3.08Å; A1208-R1212 WeakPolarHBondContact O-CB 3.22Å; A1208-R1212 WeakPolarHBondContact O-CG 3.15Å; A1208-R1212 PolarHBondContact O-N 3.05Å
1209	T	93.3	Very high	93.6	Very high	80 Å²	80	112.7 Å²	112.7	49%	0.491	52%	0.523	S	S	.	.	H	α-helix	trans	-69.8	-38.3	173.2	69.5	0	0	0	0	112.8	S1205 E1206 V1207 R1212 R1213	S1205-T1209 WeakPolarHBondContact O-CG2 3.33Å; S1205-T1209 PolarHBondContact O-N 3.19Å; E1206-T1209 WeakPolarHBondContact O-CA 3.49Å; E1206-T1209 PolarHBondContact O-N 3.02Å; E1206-T1209 PolarHBondContact O-OG1 3.34Å; V1207-T1209 PolarHBondContact O-N 2.83Å; T1209-R1212 PolarHBondContact O-N 3.21Å; T1209-R1213 WeakPolarHBondContact O-CB 3.5Å; T1209-R1213 PolarHBondContact O-N 2.89Å
1210	I	94.9	Very high	93.4	Very high	94 Å²	94	113.5 Å²	113.5	48%	0.482	53%	0.529	S	S	.	.	H	α-helix	trans	-61.4	-46.2	175.4	-68.8	166.9	0	0	0	109.8	E1206 V1207 R1213 R1214	E1206-I1210 HydrophobicContact CG-CD1 4.09Å; E1206-I1210 WeakPolarHBondContact O-CG1 3.42Å; E1206-I1210 PolarHBondContact O-N 3.28Å; V1207-I1210 PolarHBondContact O-N 3.45Å; I1210-R1213 WeakPolarHBondContact O-CB 3.28Å; I1210-R1213 PolarHBondContact O-N 3.06Å; I1210-R1214 WeakPolarHBondContact O-CB 3.29Å; I1210-R1214 PolarHBondContact O-N 3.04Å
1211	D	93.4	Very high	92.6	Very high	51 Å²	51	112.1 Å²	112.1	27%	0.273	53%	0.53	S	S	.	.	H	α-helix	trans	-72.7	-33.3	-178.7	-153.4	55.6	0	0	0	112.2	V1207 R1214 K1215	V1207-D1211 PolarHBondContact O-N 2.99Å; D1211-R1214 PolarHBondContact O-N 3.45Å; D1211-R1214 IonicContact OD1-NH1 3.17Å; D1211-K1215 WeakPolarHBondContact O-CB 3.29Å; D1211-K1215 WeakPolarHBondContact O-CG 3.39Å; D1211-K1215 PolarHBondContact O-N 3.07Å; D1211-K1215 VanDerWaalsContact OD2-CE 3.28Å; D1211-K1215 WeakPolarHBondContact OD2-CE 3.39Å; D1211-K1215 IonicContact OD2-NZ 3.94Å; D1211-K1215 PolarHBondContact OD2-NZ 3.39Å
1212	R	95	Very high	92	Very high	172 Å²	172	115 Å²	115	65%	0.649	54%	0.536	S	S	*	.	H	α-helix	trans	-60.4	-43.7	166.2	-74	171.5	-172.8	-166.8	3.6	111.6	A1208 T1209 K1215 R1216	A1208-R1212 WeakPolarHBondContact O-CB 3.22Å; A1208-R1212 WeakPolarHBondContact O-CG 3.15Å; A1208-R1212 PolarHBondContact O-N 3.05Å; T1209-R1212 PolarHBondContact O-N 3.21Å; R1212-K1215 PolarHBondContact O-N 2.87Å; R1212-R1216 WeakPolarHBondContact O-CB 3.14Å; R1212-R1216 WeakPolarHBondContact O-CG 3.06Å; R1212-R1216 PolarHBondContact O-N 2.81Å
1213	R	93.8	Very high	91.1	Very high	199 Å²	199	116.1 Å²	116.1	75%	0.751	53%	0.534	S	S	*	.	H	α-helix	trans	-64.2	-42.1	176.5	-175.3	177.9	-179.2	174.3	0	111.4	T1209 I1210 R1216 L1217	T1209-R1213 WeakPolarHBondContact O-CB 3.5Å; T1209-R1213 PolarHBondContact O-N 2.89Å; I1210-R1213 WeakPolarHBondContact O-CB 3.28Å; I1210-R1213 PolarHBondContact O-N 3.06Å; R1213-R1216 PolarHBondContact O-N 3.09Å; R1213-L1217 WeakPolarHBondContact O-CB 3.24Å; R1213-L1217 PolarHBondContact O-N 3.15Å
1214	R	94.9	Very high	90	Very high	153 Å²	153	116.9 Å²	116.9	58%	0.577	54%	0.542	S	S	*	.	H	α-helix	trans	-64.1	-42.3	176	-170.3	-176.4	-175.4	-154.4	7.1	112.2	I1210 D1211 L1217 K1218	I1210-R1214 WeakPolarHBondContact O-CB 3.29Å; I1210-R1214 PolarHBondContact O-N 3.04Å; D1211-R1214 PolarHBondContact O-N 3.45Å; D1211-R1214 IonicContact OD1-NH1 3.17Å; R1214-L1217 PolarHBondContact O-N 2.95Å; R1214-K1218 PolarHBondContact O-N 2.93Å
1215	K	92.6	Very high	88.6	Confident	138 Å²	138	114.7 Å²	114.7	60%	0.6	54%	0.542	S	S	*	.	H	α-helix	trans	-64.4	-43.5	173.5	-76.2	167.8	177.6	154.4	0	111.9	D1211 R1212 K1218 K1219	D1211-K1215 WeakPolarHBondContact O-CB 3.29Å; D1211-K1215 WeakPolarHBondContact O-CG 3.39Å; D1211-K1215 PolarHBondContact O-N 3.07Å; D1211-K1215 VanDerWaalsContact OD2-CE 3.28Å; D1211-K1215 WeakPolarHBondContact OD2-CE 3.39Å; D1211-K1215 IonicContact OD2-NZ 3.94Å; D1211-K1215 PolarHBondContact OD2-NZ 3.39Å; R1212-K1215 PolarHBondContact O-N 2.87Å; K1215-K1218 CarbonylContact O-C 3.58Å; K1215-K1218 PolarHBondContact O-N 2.84Å; K1215-K1219 PolarHBondContact O-N 3.01Å
1216	R	91.3	Very high	86.8	Confident	192 Å²	192	118.5 Å²	118.5	73%	0.725	55%	0.551	S	S	*	*	H	α-helix	trans	-61.6	-43.6	173.2	-75	174	177.9	168.1	-2.1	112.4	R1212 R1213 K1218 K1219 K1220	R1212-R1216 WeakPolarHBondContact O-CB 3.14Å; R1212-R1216 WeakPolarHBondContact O-CG 3.06Å; R1212-R1216 PolarHBondContact O-N 2.81Å; R1213-R1216 PolarHBondContact O-N 3.09Å; R1216-K1218 PolarHBondContact O-N 3.19Å; R1216-K1219 WeakPolarHBondContact O-CB 3.33Å; R1216-K1219 PolarHBondContact O-N 3.36Å; R1216-K1220 PolarHBondContact O-N 3.39Å
1217	L	85.9	Confident	84.7	Confident	125 Å²	125	116.6 Å²	116.6	65%	0.654	55%	0.554	S	S	*	*	H	α-helix	trans	-59.5	-47.6	175.7	-161.8	75.2	0	0	0	110.6	R1213 R1214 K1219 K1220 D1221	R1213-L1217 WeakPolarHBondContact O-CB 3.24Å; R1213-L1217 PolarHBondContact O-N 3.15Å; R1214-L1217 PolarHBondContact O-N 2.95Å; L1217-K1219 PolarHBondContact O-N 3.37Å; L1217-K1220 PolarHBondContact O-N 2.64Å; L1217-D1221 VanDerWaalsContact O-CB 3.27Å; L1217-D1221 WeakPolarHBondContact O-CB 3.5Å; L1217-D1221 PolarHBondContact O-N 3.5Å
1218	K	89.5	Confident	82.4	Confident	116 Å²	116	114.8 Å²	114.8	50%	0.504	55%	0.554	S	S	.	*	H	α-helix	trans	-66	-12.4	173.4	-75.4	-168.7	171.8	-166.9	0	115.3	R1214 K1215 R1216 R1222	R1214-K1218 PolarHBondContact O-N 2.93Å; K1215-K1218 CarbonylContact O-C 3.58Å; K1215-K1218 PolarHBondContact O-N 2.84Å; R1216-K1218 PolarHBondContact O-N 3.19Å; K1218-R1222 WeakPolarHBondContact O-CG 3.06Å; K1218-R1222 PolarHBondContact O-NH1 3.38Å
1219	K	89.8	Confident	80.3	Confident	129 Å²	129	116.8 Å²	116.8	56%	0.561	57%	0.571	S	S	*	*	H	α-helix	trans	-84	-52	168.9	-164.1	-178.2	-172.1	-87.6	0	109.3	K1215 R1216 L1217 D1221 R1222 E1223	K1215-K1219 PolarHBondContact O-N 3.01Å; R1216-K1219 WeakPolarHBondContact O-CB 3.33Å; R1216-K1219 PolarHBondContact O-N 3.36Å; L1217-K1219 PolarHBondContact O-N 3.37Å; K1219-D1221 VanDerWaalsContact C-N 3.28Å; K1219-D1221 PolarHBondContact O-N 2.93Å; K1219-R1222 WeakPolarHBondContact O-CB 2.91Å; K1219-R1222 PolarHBondContact O-N 3.46Å; K1219-R1222 VanDerWaalsContact O-N 3.08Å; K1219-E1223 WeakPolarHBondContact CG-OE1 3.05Å; K1219-E1223 IonicContact NZ-OE1 2.62Å; K1219-E1223 PolarHBondContact NZ-OE1 2.87Å; K1219-E1223 WeakPolarHBondContact O-CG 3.25Å; K1219-E1223 PolarHBondContact O-N 3.41Å
1220	K	89.3	Confident	77.8	Confident	136 Å²	136	117.9 Å²	117.9	59%	0.591	58%	0.582	S	S	*	*	H	α-helix	trans	-57.5	-38.4	177.4	-174.1	169.9	-178.1	174	0	113.3	R1216 L1217 R1222 E1223 V1224	R1216-K1220 PolarHBondContact O-N 3.39Å; L1217-K1220 PolarHBondContact O-N 2.64Å; K1220-R1222 VanDerWaalsContact C-N 3.33Å; K1220-R1222 PolarHBondContact O-N 2.91Å; K1220-E1223 VanDerWaalsContact CA-OE2 3.29Å; K1220-E1223 WeakPolarHBondContact CA-OE2 3.45Å; K1220-E1223 PolarHBondContact N-OE2 3.46Å; K1220-E1223 PolarHBondContact O-N 2.91Å; K1220-V1224 HydrophobicContact CG-CG2 4.16Å; K1220-V1224 WeakPolarHBondContact O-CB 3.14Å; K1220-V1224 VanDerWaalsContact O-CG2 3.28Å; K1220-V1224 WeakPolarHBondContact O-CG2 3.4Å; K1220-V1224 PolarHBondContact O-N 2.61Å
1221	D	79.6	Confident	75.4	Confident	107 Å²	107	120.8 Å²	120.8	57%	0.572	60%	0.595	S	S	*	*	H	α-helix	trans	-60.6	-40.4	177.3	-167.1	48.5	0	0	0	112.3	L1217 K1219 S1225	L1217-D1221 VanDerWaalsContact O-CB 3.27Å; L1217-D1221 WeakPolarHBondContact O-CB 3.5Å; L1217-D1221 PolarHBondContact O-N 3.5Å; K1219-D1221 VanDerWaalsContact C-N 3.28Å; K1219-D1221 PolarHBondContact O-N 2.93Å; D1221-S1225 WeakPolarHBondContact O-CB 3.16Å; D1221-S1225 PolarHBondContact O-N 2.9Å; D1221-S1225 PolarHBondContact O-OG 3.48Å
1222	R	81.3	Confident	72.6	Confident	159 Å²	159	124.2 Å²	124.2	60%	0.6	62%	0.623	S	S	*	*	H	α-helix	trans	-71.6	-41.8	173.7	-64.9	176.3	177.8	118	-20.4	112	K1218 K1219 K1220 S1225 H1226	K1218-R1222 WeakPolarHBondContact O-CG 3.06Å; K1218-R1222 PolarHBondContact O-NH1 3.38Å; K1219-R1222 WeakPolarHBondContact O-CB 2.91Å; K1219-R1222 PolarHBondContact O-N 3.46Å; K1219-R1222 VanDerWaalsContact O-N 3.08Å; K1220-R1222 VanDerWaalsContact C-N 3.33Å; K1220-R1222 PolarHBondContact O-N 2.91Å; R1222-S1225 WeakPolarHBondContact O-CB 2.75Å; R1222-S1225 PolarHBondContact O-N 3.12Å; R1222-H1226 PolarHBondContact O-CD2 2.68Å; R1222-H1226 PolarHBondContact O-N 2.91Å
1223	E	76.1	Confident	69.7	Low	88 Å²	88	122 Å²	122	41%	0.411	63%	0.634	S	S	.	*	H	α-helix	trans	-62.3	-42.5	177.7	-68.9	162.3	161.5	0	0	111.6	K1219 K1220 H1226 A1227	K1219-E1223 WeakPolarHBondContact CG-OE1 3.05Å; K1219-E1223 IonicContact NZ-OE1 2.62Å; K1219-E1223 PolarHBondContact NZ-OE1 2.87Å; K1219-E1223 WeakPolarHBondContact O-CG 3.25Å; K1219-E1223 PolarHBondContact O-N 3.41Å; K1220-E1223 VanDerWaalsContact CA-OE2 3.29Å; K1220-E1223 WeakPolarHBondContact CA-OE2 3.45Å; K1220-E1223 PolarHBondContact N-OE2 3.46Å; K1220-E1223 PolarHBondContact O-N 2.91Å; E1223-H1226 PolarHBondContact O-N 2.75Å; E1223-A1227 WeakPolarHBondContact O-CB 3.39Å; E1223-A1227 PolarHBondContact O-N 2.74Å
1224	V	74.9	Confident	67	Low	83 Å²	83	116.8 Å²	116.8	50%	0.503	63%	0.634	S	S	.	*	H	α-helix	trans	-64.8	-40	172.8	169.6	0	0	0	0	111.2	K1220 H1226 A1227 G1228	K1220-V1224 HydrophobicContact CG-CG2 4.16Å; K1220-V1224 WeakPolarHBondContact O-CB 3.14Å; K1220-V1224 VanDerWaalsContact O-CG2 3.28Å; K1220-V1224 WeakPolarHBondContact O-CG2 3.4Å; K1220-V1224 PolarHBondContact O-N 2.61Å; V1224-H1226 VanDerWaalsContact C-N 3.34Å; V1224-H1226 PolarHBondContact O-N 3.17Å; V1224-A1227 PolarHBondContact O-N 3.29Å; V1224-G1228 PolarHBondContact O-N 2.98Å
1225	S	64.4	Low	64.1	Low	77 Å²	77	114.7 Å²	114.7	54%	0.538	64%	0.642	S	S	.	*	H	α-helix	trans	-62.3	-38.4	175.7	-60.7	0	0	0	0	112.6	D1221 R1222	D1221-S1225 WeakPolarHBondContact O-CB 3.16Å; D1221-S1225 PolarHBondContact O-N 2.9Å; D1221-S1225 PolarHBondContact O-OG 3.48Å; R1222-S1225 WeakPolarHBondContact O-CB 2.75Å; R1222-S1225 PolarHBondContact O-N 3.12Å
1226	H	55.8	Low	61.5	Low	147 Å²	147	113.5 Å²	113.5	68%	0.681	65%	0.651	S	S	*	*	H	α-helix	trans	-74	-41.1	174.9	-76.7	-68.8	0	0	0	112.6	R1222 E1223 V1224 G1228 A1229	R1222-H1226 PolarHBondContact O-CD2 2.68Å; R1222-H1226 PolarHBondContact O-N 2.91Å; E1223-H1226 PolarHBondContact O-N 2.75Å; V1224-H1226 VanDerWaalsContact C-N 3.34Å; V1224-H1226 PolarHBondContact O-N 3.17Å; H1226-G1228 VanDerWaalsContact C-N 3.34Å; H1226-G1228 PolarHBondContact O-N 2.86Å; H1226-A1229 PolarHBondContact O-N 2.89Å
1227	A	52.3	Low	58.9	Low	64 Å²	64	111.2 Å²	111.2	53%	0.529	65%	0.654	S	S	.	*	H	α-helix	trans	-65.7	-35.1	177.6	0	0	0	0	0	113	E1223 V1224 A1229	E1223-A1227 WeakPolarHBondContact O-CB 3.39Å; E1223-A1227 PolarHBondContact O-N 2.74Å; V1224-A1227 PolarHBondContact O-N 3.29Å; A1227-A1229 VanDerWaalsContact C-N 3.3Å; A1227-A1229 PolarHBondContact O-N 2.62Å
1228	G	49	Very low	56.8	Low	57 Å²	57	111.8 Å²	111.8	59%	0.588	66%	0.663	S	S	*	*	H	α-helix	trans	-67.8	-24.8	178.8	0	0	0	0	0	114.5	V1224 H1226	V1224-G1228 PolarHBondContact O-N 2.98Å; H1226-G1228 VanDerWaalsContact C-N 3.34Å; H1226-G1228 PolarHBondContact O-N 2.86Å
1229	A	49.2	Very low	54.1	Low	85 Å²	85	109 Å²	109	70%	0.702	67%	0.666	S	S	*	*	H	α-helix	trans	-75.4	-29	-178.4	0	0	0	0	0	113.6	H1226 A1227 M1231	H1226-A1229 PolarHBondContact O-N 2.89Å; A1227-A1229 VanDerWaalsContact C-N 3.3Å; A1227-A1229 PolarHBondContact O-N 2.62Å; A1229-M1231 PolarHBondContact O-N 3.17Å
1230	S	40.6	Very low	51.5	Low	104 Å²	104	111.8 Å²	111.8	73%	0.727	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-1.6	-171.8	-55.7	0	0	0	0	114.8
1231	M	44.3	Very low	49.1	Very low	155 Å²	155	110.7 Å²	110.7	76%	0.764	69%	0.693	S	S	*	*	S	Bend	trans	-133	41.9	-163.3	-83.7	-89.5	-73.7	0	0	114.5	A1229	A1229-M1231 PolarHBondContact O-N 3.17Å
1232	S	35.2	Very low	47.6	Very low	122 Å²	122	111.6 Å²	111.6	85%	0.853	70%	0.704	S	S	*	*			trans	-167.3	81.6	158.6	-85.8	0	0	0	0	114.2
1233	S	34.9	Very low	45.1	Very low	126 Å²	126	109.2 Å²	109.2	88%	0.881	71%	0.712	S	S	*	*			trans	-149.7	80.3	164	62.5	0	0	0	0	111.9
1234	A	36	Very low	42.9	Very low	90 Å²	90	110.1 Å²	110.1	74%	0.744	73%	0.729	S	S	*	*			trans	-142.5	141.2	174.9	0	0	0	0	0	111.8
1235	S	33.5	Very low	40.7	Very low	109 Å²	109	111.7 Å²	111.7	76%	0.762	74%	0.743	S	S	*	*			trans	57.2	84.1	171.3	52.3	0	0	0	0	119.1
1236	S	37.8	Very low	39	Very low	113 Å²	113	113.5 Å²	113.5	79%	0.79	76%	0.756	S	S	*	*				53.5	120	117.5	60.6	0	0	0	0	122.3
1237	D	37.2	Very low	39.3	Very low	144 Å²	144	112.2 Å²	112.2	77%	0.77	76%	0.76	S	S	*	*			trans	-67.4	145.8	152.8	160.4	47.1	0	0	0	112.4	G1239	D1237-G1239 PolarHBondContact OD1-N 3.07Å
1238	T	41.6	Very low	39.1	Very low	137 Å²	137	113.9 Å²	113.9	84%	0.84	77%	0.766	S	S	*	*			trans	-164.1	111.9	136.6	0.5	0	0	0	0	113.8
1239	G	34.4	Very low	38.3	Very low	56 Å²	56	119.9 Å²	119.9	58%	0.577	78%	0.779	S	S	*	*				90.4	117.2	122.7	0	0	0	0	0	122.1	D1237	D1237-G1239 PolarHBondContact OD1-N 3.07Å
1240	M	34.9	Very low	37.3	Very low	189 Å²	189	122.2 Å²	122.2	93%	0.931	78%	0.779	S	S	*	*			trans	73.7	141.4	142.6	-55.1	-90.1	86.6	0	0	120.4
1241	S	38.1	Very low	37	Very low	113 Å²	113	122.9 Å²	122.9	79%	0.79	78%	0.779	S	S	*	*			trans	-88.7	163.5	169.6	-33.2	0	0	0	0	110.8
1242	P	47.9	Very low	36.4	Very low	125 Å²	125	121.8 Å²	121.8	81%	0.812	78%	0.775	S	S	*	*				-152.6	-176	69.8	41.9	-21.3	0	0	0	117.2
1243	S	29.1	Very low	36.3	Very low	109 Å²	109	120.2 Å²	120.2	76%	0.762	77%	0.77	S	S	*	*			trans	-40.1	149.9	171.7	-40.9	0	0	0	0	117.7
1244	S	29.2	Very low	36.1	Very low	108 Å²	108	121.1 Å²	121.1	76%	0.755	77%	0.769	S	S	*	*				165.5	159.6	102.6	55.8	0	0	0	0	115.6
1245	S	29.5	Very low	36.3	Very low	116 Å²	116	124.7 Å²	124.7	81%	0.811	77%	0.771	S	S	*	*			trans	70.9	150.4	161.2	73.5	0	0	0	0	119.6
1246	S	29.8	Very low	36.3	Very low	114 Å²	114	125 Å²	125	80%	0.797	77%	0.772	S	S	*	*			trans	-105.5	-173.4	-171	-47.3	0	0	0	0	110.4
1247	P	61	Low	36.3	Very low	120 Å²	120	135 Å²	135	78%	0.779	79%	0.792	S	S	*	*			trans	-94.7	-169.8	-144.9	47.9	-46.4	0	0	0	112
1248	P	48.1	Very low	36.2	Very low	100 Å²	100	134.6 Å²	134.6	65%	0.649	79%	0.793	S	S	*	*				-151.7	-173.3	69.3	42.9	-22.5	0	0	0	115.6
1249	Q	32.2	Very low	35.9	Very low	182 Å²	182	134.5 Å²	134.5	85%	0.85	79%	0.791	S	S	*	*			trans	70.4	158.6	159.5	-65.3	172.4	12.7	0	0	117.8
1250	N	29.2	Very low	36	Very low	135 Å²	135	138.8 Å²	138.8	72%	0.722	80%	0.803	S	S	*	*			cis	-173.7	177.8	-33.7	-165.4	-1	0	0	0	105.8
1251	V	33.1	Very low	36.1	Very low	117 Å²	117	135.9 Å²	135.9	71%	0.709	80%	0.795	S	S	*	*			trans	70	99.5	172.8	-169.2	0	0	0	0	112.6
1252	L	32.1	Very low	36	Very low	132 Å²	132	137.3 Å²	137.3	69%	0.691	80%	0.796	S	S	*	*				69.8	125.7	66.5	-70.3	168.4	0	0	0	115.5
1253	A	32.7	Very low	35.2	Very low	89 Å²	89	138.1 Å²	138.1	74%	0.736	80%	0.795	S	S	*	*			trans	70.4	154	166.1	0	0	0	0	0	115
1254	V	31.7	Very low	35.6	Very low	145 Å²	145	140.2 Å²	140.2	88%	0.879	80%	0.797	S	S	*	*			cis	-116.8	139.2	14.3	175.8	0	0	0	0	112.6
1255	E	39.6	Very low	36.1	Very low	165 Å²	165	142.7 Å²	142.7	77%	0.771	80%	0.8	S	S	*	*			trans	-97.4	157.6	172.1	178.2	-178.5	-170.2	0	0	109.8
1256	C	34.1	Very low	36.7	Very low	116 Å²	116	144.9 Å²	144.9	78%	0.784	80%	0.799	S	S	*	*			trans	118.3	86.2	163.5	-66	0	0	0	0	116.5
1257	R	36.4	Very low	37.3	Very low	324 Å²	324	147.7 Å²	147.7	100%	1.223	80%	0.799	S	S	*	*				-156.6	0	97.7	-113.2	-179.9	-178.9	166.6	2.7	112.3

Retrieved 1,257 of 1,257 residues in 1319.8 ms (Link to these results)

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