A0A087WRF2_MOUSE Loading...

Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 1

GTPase-activating protein for ARF1 and, to a lesser extent, ARF5. Directly and specifically regulates the adapter protein 3 (AP-3)-dependent trafficking of proteins in the endosomal-lysosomal system.

AlphaFold DB , UniProt , Accession A0A087WRF2, Species MOUSE (Mus musculus, Mouse), Gene Agap1, Length 804 aa.

						>A0A087WRF2_MOUSE|A0A087WRF2|Agap1
MNYQQQLANSAAIRAEIQRFESVHPNIYSIYELLERVEEPVLQNQIREHVIAIEDAFVNSQEWTLSRSVPELKVGIVGNLASGKSALVHRYLTGTYVQEESPEGGRFKKEIVVDGQSYLLLIRDEGGPPEAQFAMWVDAVIFVFSLEDEISFQTVYHYYSRMANYRNTSEIPLVLVGTQDAISSTNPRVIDDVRARKLSNDLKRCTYYETCATYGLNVERVFQDVAQKIVATRKKQQLSIGPCKSLPNSPSHSSVCSAQVSAVHISQTSNGGGSLSDYSSSVPSTPSTSQKELRIDVPPTANTPTPVRKQSKRRSNLFTSRKGSDPDKEKKGLESRADSIGSGRAIPIKQGMLLKRSGKSLNKEWKKKYVTLCDNGVLTYHPSLHDYMQNVHGKEIDLLRTTVKVPGKRPPRATSACAPISSPKTNGLAKDMSSLHISPNSDTGLGDSVCSSPSISSSTSPKLDPPPSPHANRKKHRRKKSTSNFKADGLSGTAEEQEENLEFIIVSLTGQTWHFEATTYEERDAWVQAIESQILASLQSCESSKNKSRLTSQSEAMALQSIRNMRGNSHCVDCDTQNPNWASLNLGALMCIECSGIHRNLGTHLSRVRSLDLDDWPMELIKVMSSIGNELANSVWEEGSQGRTKPSLDSTREEKERWIRAKYEQKLFLAPLPCTEFSLGQQLLRATAEEDLRTVILLLAHGSRDEVNETCGEGDGRTALHLACRKGNVVLAQLLIWYGVDVMARDAHGNTALAYARQASSQECIDVLLQYGCPDERFVLMATPNLSRKSNSRNNSSGRAPSVI
					

Structure Viewer

Loading PAE data...

(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	41.5	Very low	62.2	Low	184 Å²	184	90.9 Å²	90.9	91%	0.906	47%	0.469	S	S	*	.				0	-62.7	0	-78	179.9	-82.7	0	0	110.1	Y3 Q4 Q5	M1-Y3 PolarHBondContact O-N 3.03Å; M1-Y3 VanDerWaalsContact O-N 3.13Å; M1-Q4 PolarHBondContact O-N 2.94Å; M1-Q5 PolarHBondContact O-N 2.67Å
2	N	53.6	Low	63.2	Low	118 Å²	118	86 Å²	86	63%	0.631	45%	0.452	S	S	*	.	H	α-helix	trans	-41.5	-53.2	-176.3	-58.7	31.2	0	0	0	115	Q4 Q5 Q6	N2-Q4 VanDerWaalsContact C-N 3.32Å; N2-Q4 PolarHBondContact O-N 3.41Å; N2-Q5 CarbonylContact O-C 3.6Å; N2-Q5 WeakPolarHBondContact O-CA 3.14Å; N2-Q5 WeakPolarHBondContact O-CB 3.39Å; N2-Q5 PolarHBondContact O-N 2.62Å; N2-Q6 WeakPolarHBondContact O-CG 3.42Å; N2-Q6 PolarHBondContact O-N 2.69Å; N2-Q6 PolarHBondContact O-OE1 2.71Å
3	Y	54.1	Low	64.2	Low	168 Å²	168	79.4 Å²	79.4	66%	0.659	42%	0.417	S	S	*	.	H	α-helix	trans	-55	-41.1	-178.4	-171.1	-111.1	0	0	0	114.8	M1 Q5 Q6 L7	M1-Y3 PolarHBondContact O-N 3.03Å; M1-Y3 VanDerWaalsContact O-N 3.13Å; Y3-Q5 VanDerWaalsContact C-N 3.32Å; Y3-Q5 PolarHBondContact O-N 2.91Å; Y3-Q6 PolarHBondContact O-N 3.29Å; Y3-L7 HydrophobicContact CD1-CD1 4.03Å; Y3-L7 HydrophobicContact CE1-CD1 3.55Å; Y3-L7 HydrophobicContact CE1-CG 4.29Å; Y3-L7 WeakPolarHBondContact O-CG 3.24Å; Y3-L7 PolarHBondContact O-N 2.73Å
4	Q	56.1	Low	65.4	Low	141 Å²	141	83 Å²	83	66%	0.659	42%	0.422	S	S	*	.	H	α-helix	trans	-74	-27.4	-179.9	-158.7	170.2	-2.2	0	0	111.7	M1 N2 A8	M1-Q4 PolarHBondContact O-N 2.94Å; N2-Q4 VanDerWaalsContact C-N 3.32Å; N2-Q4 PolarHBondContact O-N 3.41Å; Q4-A8 WeakPolarHBondContact O-CB 3.44Å; Q4-A8 PolarHBondContact O-N 3.46Å
5	Q	59.4	Low	66.1	Low	114 Å²	114	81.2 Å²	81.2	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-79.6	-33.9	172.6	-171.3	173.6	0.8	0	0	112.2	M1 N2 Y3 A8 N9	M1-Q5 PolarHBondContact O-N 2.67Å; N2-Q5 CarbonylContact O-C 3.6Å; N2-Q5 WeakPolarHBondContact O-CA 3.14Å; N2-Q5 WeakPolarHBondContact O-CB 3.39Å; N2-Q5 PolarHBondContact O-N 2.62Å; Y3-Q5 VanDerWaalsContact C-N 3.32Å; Y3-Q5 PolarHBondContact O-N 2.91Å; Q5-A8 PolarHBondContact O-N 2.76Å; Q5-N9 WeakPolarHBondContact O-CB 3.39Å; Q5-N9 PolarHBondContact O-N 3.5Å; Q5-N9 PolarHBondContact O-OD1 3.12Å
6	Q	63.3	Low	66.5	Low	48 Å²	48	77.3 Å²	77.3	22%	0.224	40%	0.404	C	S	.	.	H	α-helix	trans	-62.4	-47	172.2	-75.1	161.6	-41.8	0	0	110.2	N2 Y3 N9 S10 G115	N2-Q6 WeakPolarHBondContact O-CG 3.42Å; N2-Q6 PolarHBondContact O-N 2.69Å; N2-Q6 PolarHBondContact O-OE1 2.71Å; Y3-Q6 PolarHBondContact O-N 3.29Å; Q6-N9 PolarHBondContact O-N 3.41Å; Q6-S10 WeakPolarHBondContact O-CB 3.37Å; Q6-S10 PolarHBondContact O-N 3.09Å; Q6-G115 PolarHBondContact NE2-O 2.67Å
7	L	66.3	Low	67	Low	89 Å²	89	73.6 Å²	73.6	47%	0.466	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-42.6	174	-71.2	174.9	0	0	0	112.9	Y3 S10 A11	Y3-L7 HydrophobicContact CD1-CD1 4.03Å; Y3-L7 HydrophobicContact CE1-CD1 3.55Å; Y3-L7 HydrophobicContact CE1-CG 4.29Å; Y3-L7 WeakPolarHBondContact O-CG 3.24Å; Y3-L7 PolarHBondContact O-N 2.73Å; L7-S10 PolarHBondContact O-N 3.24Å; L7-A11 WeakPolarHBondContact O-CB 3.46Å; L7-A11 PolarHBondContact O-N 3.06Å
8	A	65.9	Low	67.6	Low	57 Å²	57	77.3 Å²	77.3	47%	0.471	40%	0.399	S	S	.	.	H	α-helix	trans	-64.3	-43.7	177.2	0	0	0	0	0	112.3	Q4 Q5 A11 A12	Q4-A8 WeakPolarHBondContact O-CB 3.44Å; Q4-A8 PolarHBondContact O-N 3.46Å; Q5-A8 PolarHBondContact O-N 2.76Å; A8-A11 PolarHBondContact O-N 3.23Å; A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 3.02Å
9	N	70.5	Confident	67.9	Low	16 Å²	16	79.5 Å²	79.5	9%	0.086	40%	0.402	C	S	.	.	H	α-helix	trans	-63.6	-44.8	175	-78.1	16.9	0	0	0	111.2	Q5 Q6 A11 A12 I13 S68	Q5-N9 WeakPolarHBondContact O-CB 3.39Å; Q5-N9 PolarHBondContact O-N 3.5Å; Q5-N9 PolarHBondContact O-OD1 3.12Å; Q6-N9 PolarHBondContact O-N 3.41Å; N9-A11 PolarHBondContact O-N 2.95Å; N9-A12 PolarHBondContact O-N 2.9Å; N9-I13 WeakPolarHBondContact O-CB 3.42Å; N9-I13 WeakPolarHBondContact O-CD1 3.49Å; N9-I13 WeakPolarHBondContact O-CG1 3.43Å; N9-I13 PolarHBondContact O-N 3.38Å; N9-S68 PolarHBondContact ND2-O 2.94Å; N9-S68 PolarHBondContact OD1-O 2.99Å
10	S	77	Confident	68.1	Low	13 Å²	13	75.8 Å²	75.8	9%	0.091	38%	0.383	C	S	.	.	H	α-helix	trans	-59.1	-42.3	177	-176.3	0	0	0	0	112.4	Q6 L7 I13 R14 E110	Q6-S10 WeakPolarHBondContact O-CB 3.37Å; Q6-S10 PolarHBondContact O-N 3.09Å; L7-S10 PolarHBondContact O-N 3.24Å; S10-I13 PolarHBondContact O-N 2.99Å; S10-R14 PolarHBondContact O-N 2.99Å; S10-R14 VanDerWaalsContact O-N 3.09Å; S10-R14 PolarHBondContact OG-NH1 2.79Å; S10-E110 WeakPolarHBondContact CA-OE1 3.38Å; S10-E110 VanDerWaalsContact CB-OE1 3.23Å; S10-E110 WeakPolarHBondContact CB-OE1 3.4Å; S10-E110 PolarHBondContact OG-OE1 3.29Å
11	A	76.2	Confident	68.4	Low	52 Å²	52	77.6 Å²	77.6	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-42	174	0	0	0	0	0	112.8	L7 A8 N9 R14 A15	L7-A11 WeakPolarHBondContact O-CB 3.46Å; L7-A11 PolarHBondContact O-N 3.06Å; A8-A11 PolarHBondContact O-N 3.23Å; N9-A11 PolarHBondContact O-N 2.95Å; A11-R14 PolarHBondContact O-N 3.19Å; A11-A15 PolarHBondContact O-N 2.98Å
12	A	74.2	Confident	70.1	Confident	32 Å²	32	72.4 Å²	72.4	26%	0.264	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-39.4	176.2	0	0	0	0	0	112.4	A8 N9 A15 E16 V69	A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 3.02Å; N9-A12 PolarHBondContact O-N 2.9Å; A12-A15 PolarHBondContact O-N 3.15Å; A12-E16 WeakPolarHBondContact O-CB 3.36Å; A12-E16 PolarHBondContact O-N 2.98Å; A12-E16 VanDerWaalsContact O-N 3.08Å; A12-V69 HydrophobicContact CB-CG2 3.81Å
13	I	76.6	Confident	71	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-49.8	174.9	-71.4	161	0	0	0	110.3	N9 S10 A15 E16 I17 V69 E110 L119	N9-I13 WeakPolarHBondContact O-CB 3.42Å; N9-I13 WeakPolarHBondContact O-CD1 3.49Å; N9-I13 WeakPolarHBondContact O-CG1 3.43Å; N9-I13 PolarHBondContact O-N 3.38Å; S10-I13 PolarHBondContact O-N 2.99Å; I13-A15 PolarHBondContact O-N 3.39Å; I13-E16 PolarHBondContact O-N 3.5Å; I13-I17 HydrophobicContact CG2-CD1 3.64Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 WeakPolarHBondContact O-CG1 3.27Å; I13-I17 PolarHBondContact O-N 2.94Å; I13-V69 HydrophobicContact CD1-CG1 4.19Å; I13-V69 HydrophobicContact CG1-CG1 3.57Å; I13-V69 HydrophobicContact CG1-CG2 4.17Å; I13-E110 HydrophobicContact CG2-CB 3.71Å; I13-E110 HydrophobicContact CG2-CG 3.87Å; I13-L119 HydrophobicContact CG1-CB 4.26Å; I13-L119 HydrophobicContact CG2-CD1 4.24Å
14	R	80.6	Confident	71.9	Confident	130 Å²	130	62.1 Å²	62.1	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-38.5	178.4	-75.8	-167.3	-65.2	-79	-2.1	113.5	S10 A11 E16 I17 Q18 E110	S10-R14 PolarHBondContact O-N 2.99Å; S10-R14 VanDerWaalsContact O-N 3.09Å; S10-R14 PolarHBondContact OG-NH1 2.79Å; A11-R14 PolarHBondContact O-N 3.19Å; R14-E16 VanDerWaalsContact C-N 3.31Å; R14-E16 PolarHBondContact O-N 2.99Å; R14-I17 PolarHBondContact O-N 3.49Å; R14-Q18 WeakPolarHBondContact O-CB 3.46Å; R14-Q18 PolarHBondContact O-N 2.94Å; R14-E110 WeakPolarHBondContact CG-OE2 3.47Å; R14-E110 IonicContact CZ-OE2 3.17Å; R14-E110 IonicContact NH1-OE1 3.53Å; R14-E110 IonicContact NH1-OE2 3.25Å; R14-E110 PolarHBondContact NH1-OE2 2.9Å
15	A	75.7	Confident	72.8	Confident	56 Å²	56	59 Å²	59	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-36.4	176.1	0	0	0	0	0	112.6	A11 A12 I13 R19	A11-A15 PolarHBondContact O-N 2.98Å; A12-A15 PolarHBondContact O-N 3.15Å; I13-A15 PolarHBondContact O-N 3.39Å; A15-R19 WeakPolarHBondContact O-CB 3.25Å; A15-R19 PolarHBondContact O-N 3.36Å; A15-R19 VanDerWaalsContact O-N 3.09Å
16	E	72.5	Confident	73.5	Confident	18 Å²	18	58.6 Å²	58.6	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-77	-31.9	177.7	179.2	53.6	-157.5	0	0	112.8	A12 I13 R14 R19 F20 K108 L119	A12-E16 WeakPolarHBondContact O-CB 3.36Å; A12-E16 PolarHBondContact O-N 2.98Å; A12-E16 VanDerWaalsContact O-N 3.08Å; I13-E16 PolarHBondContact O-N 3.5Å; R14-E16 VanDerWaalsContact C-N 3.31Å; R14-E16 PolarHBondContact O-N 2.99Å; E16-R19 IonicContact OE2-CZ 3.36Å; E16-R19 IonicContact OE2-NH1 2.7Å; E16-R19 PolarHBondContact OE2-NH1 3.49Å; E16-F20 WeakPolarHBondContact O-CB 3.41Å; E16-F20 PolarHBondContact O-N 3.03Å; E16-F20 VanDerWaalsContact O-N 3.13Å; E16-K108 IonicContact OE1-NZ 3.61Å; E16-K108 PolarHBondContact OE1-NZ 3.04Å; E16-L119 HydrophobicContact CG-CD2 4.43Å
17	I	76.1	Confident	74.2	Confident	16 Å²	16	57 Å²	57	8%	0.082	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-51.2	169.2	-68.1	162.7	0	0	0	110	I13 R14 R19 F20 E21 K108 E110 L119	I13-I17 HydrophobicContact CG2-CD1 3.64Å; I13-I17 HydrophobicContact CG2-CG1 4.46Å; I13-I17 WeakPolarHBondContact O-CG1 3.27Å; I13-I17 PolarHBondContact O-N 2.94Å; R14-I17 PolarHBondContact O-N 3.49Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 3.38Å; I17-F20 WeakPolarHBondContact O-CA 3.25Å; I17-F20 WeakPolarHBondContact O-CB 3.34Å; I17-F20 PolarHBondContact O-N 3.04Å; I17-E21 HydrophobicContact CG2-CG 4.19Å; I17-E21 WeakPolarHBondContact CG2-OE1 3.5Å; I17-E21 WeakPolarHBondContact O-CG 3.49Å; I17-E21 PolarHBondContact O-N 3.2Å; I17-K108 HydrophobicContact CG1-CB 4Å; I17-E110 HydrophobicContact CD1-CB 4.13Å; I17-E110 VanDerWaalsContact CD1-N 3.35Å; I17-L119 HydrophobicContact CD1-CD1 4.37Å; I17-L119 HydrophobicContact CG1-CD1 4.06Å
18	Q	77.8	Confident	74.7	Confident	139 Å²	139	59 Å²	59	65%	0.65	32%	0.318	S	S	*	.	H	α-helix	trans	-58.9	-38.7	179.9	-173.4	-179.1	10.9	0	0	112.4	R14 S22	R14-Q18 WeakPolarHBondContact O-CB 3.46Å; R14-Q18 PolarHBondContact O-N 2.94Å; Q18-S22 WeakPolarHBondContact O-CB 3.25Å; Q18-S22 PolarHBondContact O-N 3.37Å
19	R	71.9	Confident	75.3	Confident	119 Å²	119	58.9 Å²	58.9	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-40.5	173.6	-178.8	-166.5	-78.3	160.4	-19.6	112.1	A15 E16 I17 S22 W63	A15-R19 WeakPolarHBondContact O-CB 3.25Å; A15-R19 PolarHBondContact O-N 3.36Å; A15-R19 VanDerWaalsContact O-N 3.09Å; E16-R19 IonicContact OE2-CZ 3.36Å; E16-R19 IonicContact OE2-NH1 2.7Å; E16-R19 PolarHBondContact OE2-NH1 3.49Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 3.38Å; R19-S22 PolarHBondContact O-OG 3.25Å; R19-W63 PolarHBondContact NH1-O 3.21Å
20	F	72.5	Confident	75.8	Confident	5 Å²	5	61.6 Å²	61.6	2%	0.022	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-49.9	179.1	-178.6	-105	0	0	0	110.9	E16 I17 S22 V23 H24 F57 V58 R106 K108	E16-F20 WeakPolarHBondContact O-CB 3.41Å; E16-F20 PolarHBondContact O-N 3.03Å; E16-F20 VanDerWaalsContact O-N 3.13Å; I17-F20 WeakPolarHBondContact O-CA 3.25Å; I17-F20 WeakPolarHBondContact O-CB 3.34Å; I17-F20 PolarHBondContact O-N 3.04Å; F20-S22 VanDerWaalsContact C-N 3.29Å; F20-S22 PolarHBondContact O-N 2.94Å; F20-V23 PolarHBondContact O-N 2.81Å; F20-H24 AromaticContact CD1-NE2 3.87Å; F20-H24 AromaticContact CE1-CD2 3.86Å; F20-H24 AromaticContact CE1-NE2 3.17Å; F20-H24 WeakPolarHBondContact CE1-NE2 3.4Å; F20-H24 AromaticContact CZ-NE2 3.25Å; F20-H24 WeakPolarHBondContact CZ-NE2 3.4Å; F20-F57 HydrophobicContact CD2-CD1 4.12Å; F20-F57 AromaticContact CD2-CE1 3.51Å; F20-F57 HydrophobicContact CD2-CE1 3.51Å; F20-F57 HydrophobicContact CD2-CZ 4.23Å; F20-F57 HydrophobicContact CE2-CD1 4.15Å; F20-F57 AromaticContact CE2-CE1 3.97Å; F20-F57 HydrophobicContact CE2-CE1 3.97Å; F20-F57 HydrophobicContact CG-CE1 4.41Å; F20-V58 HydrophobicContact CE2-CB 4.37Å; F20-V58 HydrophobicContact CE2-CG1 4.3Å; F20-V58 HydrophobicContact CE2-CG2 3.66Å; F20-V58 HydrophobicContact CZ-CG2 4.05Å; F20-R106 WeakPolarHBondContact CZ-O 3.49Å; F20-K108 HydrophobicContact CB-CD 3.75Å; F20-K108 HydrophobicContact CD1-CB 4.04Å; F20-K108 HydrophobicContact CD1-CD 3.92Å; F20-K108 HydrophobicContact CD1-CG 3.75Å; F20-K108 HydrophobicContact CD2-CD 3.9Å; F20-K108 HydrophobicContact CD2-CG 4.35Å; F20-K108 HydrophobicContact CE1-CB 4.44Å; F20-K108 HydrophobicContact CE1-CG 3.99Å; F20-K108 HydrophobicContact CE2-CD 4.5Å; F20-K108 HydrophobicContact CG-CD 3.57Å; F20-K108 HydrophobicContact CG-CG 3.94Å; F20-K108 HydrophobicContact CZ-CG 4.39Å
21	E	75.3	Confident	76	Confident	114 Å²	114	62.5 Å²	62.5	53%	0.533	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-35.7	176.3	-68.7	171.9	161.4	0	0	112.5	I17 V23 H24 P25	I17-E21 HydrophobicContact CG2-CG 4.19Å; I17-E21 WeakPolarHBondContact CG2-OE1 3.5Å; I17-E21 WeakPolarHBondContact O-CG 3.49Å; I17-E21 PolarHBondContact O-N 3.2Å; E21-V23 PolarHBondContact O-N 2.9Å; E21-V23 VanDerWaalsContact O-N 3.12Å; E21-H24 PolarHBondContact O-N 3Å; E21-P25 WeakPolarHBondContact O-CD 3.45Å
22	S	75.8	Confident	76.2	Confident	76 Å²	76	66 Å²	66	53%	0.531	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.4	-179.7	69.4	0	0	0	0	115.1	Q18 R19 F20 N26	Q18-S22 WeakPolarHBondContact O-CB 3.25Å; Q18-S22 PolarHBondContact O-N 3.37Å; R19-S22 PolarHBondContact O-OG 3.25Å; F20-S22 VanDerWaalsContact C-N 3.29Å; F20-S22 PolarHBondContact O-N 2.94Å; S22-N26 PolarHBondContact O-ND2 2.86Å
23	V	72.4	Confident	76.6	Confident	46 Å²	46	69.5 Å²	69.5	28%	0.279	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-34	179	-176.5	0	0	0	0	111.6	F20 E21 N26 I27 F57	F20-V23 PolarHBondContact O-N 2.81Å; E21-V23 PolarHBondContact O-N 2.9Å; E21-V23 VanDerWaalsContact O-N 3.12Å; V23-N26 WeakPolarHBondContact O-CB 3.16Å; V23-N26 PolarHBondContact O-N 3.35Å; V23-I27 HydrophobicContact CG1-CD1 3.87Å; V23-I27 HydrophobicContact CG1-CG1 4.14Å; V23-I27 PolarHBondContact O-N 3.26Å; V23-F57 HydrophobicContact CB-CE1 3.88Å; V23-F57 HydrophobicContact CB-CZ 3.97Å; V23-F57 HydrophobicContact CG1-CE1 4.24Å; V23-F57 HydrophobicContact CG1-CZ 4.47Å; V23-F57 HydrophobicContact CG2-CE1 3.96Å; V23-F57 HydrophobicContact CG2-CE2 4.11Å; V23-F57 HydrophobicContact CG2-CZ 3.5Å
24	H	73.1	Confident	77	Confident	23 Å²	23	69.7 Å²	69.7	11%	0.106	35%	0.351	C	S	.	.	H	α-helix	trans	-52	-44.3	-174.8	-87.5	-75.8	0	0	0	115.5	F20 E21 N26 I27 Y28 E54	F20-H24 AromaticContact CD1-NE2 3.87Å; F20-H24 AromaticContact CE1-CD2 3.86Å; F20-H24 AromaticContact CE1-NE2 3.17Å; F20-H24 WeakPolarHBondContact CE1-NE2 3.4Å; F20-H24 AromaticContact CZ-NE2 3.25Å; F20-H24 WeakPolarHBondContact CZ-NE2 3.4Å; E21-H24 PolarHBondContact O-N 3Å; H24-N26 PolarHBondContact O-N 3.41Å; H24-I27 PolarHBondContact O-N 2.75Å; H24-Y28 HydrophobicContact CB-CD2 4.23Å; H24-Y28 HydrophobicContact CB-CE2 3.96Å; H24-Y28 AromaticContact ND1-CE2 3.91Å; H24-Y28 WeakPolarHBondContact O-CD2 3.17Å; H24-Y28 PolarHBondContact O-N 3.13Å; H24-E54 IonicContact CE1-OE1 3.77Å
25	P	75	Confident	77.1	Confident	77 Å²	77	70.4 Å²	70.4	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-55.6	-37.8	177.5	-28	35.7	0	0	0	113.4	E21 S29	E21-P25 WeakPolarHBondContact O-CD 3.45Å; P25-S29 PolarHBondContact O-N 2.89Å; P25-S29 PolarHBondContact O-OG 2.8Å
26	N	75.9	Confident	77.6	Confident	105 Å²	105	77.3 Å²	77.3	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-71.7	-34.5	178.2	-55.3	-85.6	0	0	0	111.7	S22 V23 H24 I30	S22-N26 PolarHBondContact O-ND2 2.86Å; V23-N26 WeakPolarHBondContact O-CB 3.16Å; V23-N26 PolarHBondContact O-N 3.35Å; H24-N26 PolarHBondContact O-N 3.41Å; N26-I30 WeakPolarHBondContact O-CD1 3.32Å; N26-I30 VanDerWaalsContact O-CG1 3.26Å; N26-I30 WeakPolarHBondContact O-CG1 3.4Å; N26-I30 PolarHBondContact O-N 2.86Å
27	I	77.8	Confident	78.4	Confident	14 Å²	14	78.4 Å²	78.4	7%	0.072	38%	0.382	C	S	.	.	H	α-helix	trans	-67.7	-46.2	175.2	-66	174.8	0	0	0	110.1	V23 H24 S29 I30 Y31 V50 E54	V23-I27 HydrophobicContact CG1-CD1 3.87Å; V23-I27 HydrophobicContact CG1-CG1 4.14Å; V23-I27 PolarHBondContact O-N 3.26Å; H24-I27 PolarHBondContact O-N 2.75Å; I27-S29 PolarHBondContact O-N 2.81Å; I27-I30 WeakPolarHBondContact O-CB 3.3Å; I27-I30 PolarHBondContact O-N 2.85Å; I27-Y31 HydrophobicContact CG2-CD2 3.93Å; I27-Y31 HydrophobicContact CG2-CE2 3.45Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.45Å; I27-Y31 WeakPolarHBondContact O-CD2 3.24Å; I27-Y31 PolarHBondContact O-N 3.29Å; I27-Y31 VanDerWaalsContact O-N 3.09Å; I27-V50 HydrophobicContact CG2-CG1 4.25Å; I27-E54 HydrophobicContact CD1-CB 4.5Å; I27-E54 HydrophobicContact CD1-CG 4.33Å
28	Y	76.3	Confident	79.1	Confident	130 Å²	130	87 Å²	87	51%	0.51	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-44.1	176.8	-70.9	-58.9	0	0	0	112.3	H24 I30 Y31 E32	H24-Y28 HydrophobicContact CB-CD2 4.23Å; H24-Y28 HydrophobicContact CB-CE2 3.96Å; H24-Y28 AromaticContact ND1-CE2 3.91Å; H24-Y28 WeakPolarHBondContact O-CD2 3.17Å; H24-Y28 PolarHBondContact O-N 3.13Å; Y28-I30 PolarHBondContact O-N 2.88Å; Y28-Y31 WeakPolarHBondContact O-CA 3.38Å; Y28-Y31 PolarHBondContact O-N 3.16Å; Y28-E32 PolarHBondContact O-N 2.65Å
29	S	78.1	Confident	79.8	Confident	55 Å²	55	85.7 Å²	85.7	39%	0.385	42%	0.416	S	S	.	.	H	α-helix	trans	-64.8	-22.2	174	-66.5	0	0	0	0	114.1	P25 I27 E32 L33	P25-S29 PolarHBondContact O-N 2.89Å; P25-S29 PolarHBondContact O-OG 2.8Å; I27-S29 PolarHBondContact O-N 2.81Å; S29-E32 PolarHBondContact OG-OE2 3.09Å; S29-L33 WeakPolarHBondContact O-CB 3.36Å; S29-L33 WeakPolarHBondContact O-CD1 3.39Å; S29-L33 WeakPolarHBondContact O-CG 3.42Å; S29-L33 PolarHBondContact O-N 3.13Å; S29-L33 VanDerWaalsContact O-N 3.08Å
30	I	81.3	Confident	80.5	Confident	74 Å²	74	83.8 Å²	83.8	38%	0.379	42%	0.419	S	S	.	.	H	α-helix	trans	-73.8	-39.1	169.7	-65.9	161.2	0	0	0	110.7	N26 I27 Y28 L33 L34 V50	N26-I30 WeakPolarHBondContact O-CD1 3.32Å; N26-I30 VanDerWaalsContact O-CG1 3.26Å; N26-I30 WeakPolarHBondContact O-CG1 3.4Å; N26-I30 PolarHBondContact O-N 2.86Å; I27-I30 WeakPolarHBondContact O-CB 3.3Å; I27-I30 PolarHBondContact O-N 2.85Å; Y28-I30 PolarHBondContact O-N 2.88Å; I30-L33 PolarHBondContact O-N 3.48Å; I30-L34 HydrophobicContact CG2-CD1 4.29Å; I30-L34 WeakPolarHBondContact O-CG 3.09Å; I30-L34 PolarHBondContact O-N 3.22Å; I30-V50 HydrophobicContact CG2-CG1 4.47Å; I30-V50 HydrophobicContact CG2-CG2 3.52Å
31	Y	80.5	Confident	81.4	Confident	31 Å²	31	87.5 Å²	87.5	12%	0.122	44%	0.442	C	S	.	.	H	α-helix	trans	-64.5	-41.4	172.5	-68	-61.3	0	0	0	112	I27 Y28 L33 L34 E35 R47 V50 E54	I27-Y31 HydrophobicContact CG2-CD2 3.93Å; I27-Y31 HydrophobicContact CG2-CE2 3.45Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.45Å; I27-Y31 WeakPolarHBondContact O-CD2 3.24Å; I27-Y31 PolarHBondContact O-N 3.29Å; I27-Y31 VanDerWaalsContact O-N 3.09Å; Y28-Y31 WeakPolarHBondContact O-CA 3.38Å; Y28-Y31 PolarHBondContact O-N 3.16Å; Y31-L33 VanDerWaalsContact C-N 3.32Å; Y31-L33 PolarHBondContact O-N 3.09Å; Y31-L34 HydrophobicContact CD1-CD1 4.12Å; Y31-L34 WeakPolarHBondContact O-CB 3.4Å; Y31-L34 PolarHBondContact O-N 2.97Å; Y31-L34 VanDerWaalsContact O-N 3.09Å; Y31-E35 PolarHBondContact O-N 2.81Å; Y31-R47 HydrophobicContact CE1-CG 4.41Å; Y31-V50 HydrophobicContact CD1-CG1 4.42Å; Y31-V50 HydrophobicContact CE1-CB 4.24Å; Y31-V50 HydrophobicContact CE1-CG1 3.76Å; Y31-V50 HydrophobicContact CE2-CG1 4.07Å; Y31-E54 PolarHBondContact OH-OE2 3.06Å; Y31-E54 VanDerWaalsContact OH-OE2 3.06Å
32	E	80	Confident	82	Confident	125 Å²	125	85.4 Å²	85.4	58%	0.584	43%	0.434	S	S	*	.	H	α-helix	trans	-59.8	-38.8	172.2	-68.1	176.5	152.3	0	0	112.6	Y28 S29 L34	Y28-E32 PolarHBondContact O-N 2.65Å; S29-E32 PolarHBondContact OG-OE2 3.09Å; E32-L34 VanDerWaalsContact C-N 3.34Å
33	L	83.9	Confident	82.5	Confident	106 Å²	106	84 Å²	84	56%	0.555	42%	0.419	S	S	*	.	H	α-helix	trans	-72	-28.4	175.2	-72.7	169.5	0	0	0	112.3	S29 I30 Y31 R36	S29-L33 WeakPolarHBondContact O-CB 3.36Å; S29-L33 WeakPolarHBondContact O-CD1 3.39Å; S29-L33 WeakPolarHBondContact O-CG 3.42Å; S29-L33 PolarHBondContact O-N 3.13Å; S29-L33 VanDerWaalsContact O-N 3.08Å; I30-L33 PolarHBondContact O-N 3.48Å; Y31-L33 VanDerWaalsContact C-N 3.32Å; Y31-L33 PolarHBondContact O-N 3.09Å; L33-R36 WeakPolarHBondContact O-CB 3.24Å; L33-R36 PolarHBondContact O-N 3.32Å
34	L	84.1	Confident	83.1	Confident	4 Å²	4	85.8 Å²	85.8	2%	0.021	43%	0.427	C	S	.	.	H	α-helix	trans	-68.7	-35.6	175.9	-84	166.1	0	0	0	113	I30 Y31 E32 R36 V37 Q43 I46 R47 V50	I30-L34 HydrophobicContact CG2-CD1 4.29Å; I30-L34 WeakPolarHBondContact O-CG 3.09Å; I30-L34 PolarHBondContact O-N 3.22Å; Y31-L34 HydrophobicContact CD1-CD1 4.12Å; Y31-L34 WeakPolarHBondContact O-CB 3.4Å; Y31-L34 PolarHBondContact O-N 2.97Å; Y31-L34 VanDerWaalsContact O-N 3.09Å; E32-L34 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 3.22Å; L34-R36 VanDerWaalsContact O-N 3.12Å; L34-V37 HydrophobicContact CD2-CG2 4.41Å; L34-V37 WeakPolarHBondContact O-CB 3.44Å; L34-V37 PolarHBondContact O-N 2.75Å; L34-V37 VanDerWaalsContact O-N 3.07Å; L34-Q43 HydrophobicContact CD2-CG 4.47Å; L34-Q43 PolarHBondContact O-NE2 3.47Å; L34-I46 HydrophobicContact CD1-CG2 4.22Å; L34-I46 HydrophobicContact CD2-CB 3.55Å; L34-I46 HydrophobicContact CD2-CD1 4.27Å; L34-I46 HydrophobicContact CD2-CG2 3.58Å; L34-I46 HydrophobicContact CG-CG2 4.26Å; L34-R47 HydrophobicContact CD1-CB 4.33Å; L34-V50 HydrophobicContact CD1-CG2 4.17Å
35	E	83.6	Confident	83.7	Confident	146 Å²	146	89.5 Å²	89.5	68%	0.682	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.9	174.7	-66.5	-173	168.3	0	0	113.1	Y31	Y31-E35 PolarHBondContact O-N 2.81Å
36	R	86.6	Confident	84.2	Confident	201 Å²	201	88.7 Å²	88.7	76%	0.758	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	4.6	178	-53.5	175.6	71.9	167.8	4.2	113.3	L33 L34	L33-R36 WeakPolarHBondContact O-CB 3.24Å; L33-R36 PolarHBondContact O-N 3.32Å; L34-R36 PolarHBondContact O-N 3.22Å; L34-R36 VanDerWaalsContact O-N 3.12Å
37	V	89.4	Confident	84.5	Confident	40 Å²	40	86 Å²	86	24%	0.242	42%	0.417	C	S	.	.			trans	-90.7	111.6	175.5	179.8	0	0	0	0	109.6	L34 E39 L42 Q43	L34-V37 HydrophobicContact CD2-CG2 4.41Å; L34-V37 WeakPolarHBondContact O-CB 3.44Å; L34-V37 PolarHBondContact O-N 2.75Å; L34-V37 VanDerWaalsContact O-N 3.07Å; V37-E39 VanDerWaalsContact C-N 3.3Å; V37-E39 PolarHBondContact O-N 3.24Å; V37-L42 HydrophobicContact CG1-CB 4.41Å; V37-L42 HydrophobicContact CG1-CD2 4.31Å; V37-L42 HydrophobicContact CG1-CG 4.37Å; V37-Q43 HydrophobicContact CB-CB 4.19Å; V37-Q43 HydrophobicContact CG1-CB 4.13Å; V37-Q43 PolarHBondContact O-NE2 2.92Å
38	E	89.1	Confident	84.7	Confident	198 Å²	198	91.8 Å²	91.8	93%	0.925	44%	0.444	S	S	*	.	S	Bend	trans	-69.4	-21.9	-177.6	-62	-178	174.7	0	0	114.1	P40	E38-P40 WeakPolarHBondContact O-CD 3.13Å
39	E	94.1	Very high	84.9	Confident	111 Å²	111	91.3 Å²	91.3	52%	0.519	45%	0.446	S	S	.	.			trans	-90.8	110.1	179.7	-176.8	175.8	-166.2	0	0	111.5	V37 V41 L42 Q43	V37-E39 VanDerWaalsContact C-N 3.3Å; V37-E39 PolarHBondContact O-N 3.24Å; E39-V41 VanDerWaalsContact C-N 3.29Å; E39-V41 PolarHBondContact O-N 2.89Å; E39-L42 HydrophobicContact CB-CB 4.12Å; E39-L42 HydrophobicContact CG-CB 4.06Å; E39-L42 PolarHBondContact O-N 2.98Å; E39-Q43 WeakPolarHBondContact O-CB 3.41Å; E39-Q43 PolarHBondContact O-N 2.85Å
40	P	85.8	Confident	85.1	Confident	78 Å²	78	89.3 Å²	89.3	51%	0.506	43%	0.431	S	S	.	.	H	α-helix	trans	-69.6	-24.4	-172.4	27.6	-35.7	0	0	0	113.5	E38 N44	E38-P40 WeakPolarHBondContact O-CD 3.13Å; P40-N44 WeakPolarHBondContact O-CB 3.32Å; P40-N44 VanDerWaalsContact O-CG 3.31Å; P40-N44 PolarHBondContact O-N 2.56Å; P40-N44 VanDerWaalsContact O-N 3.1Å; P40-N44 PolarHBondContact O-ND2 2.91Å
41	V	91.4	Very high	84.8	Confident	84 Å²	84	88.9 Å²	88.9	51%	0.509	43%	0.429	S	S	.	.	H	α-helix	trans	-70.3	-46.2	176.1	-179.2	0	0	0	0	110.2	E39 N44 Q45	E39-V41 VanDerWaalsContact C-N 3.29Å; E39-V41 PolarHBondContact O-N 2.89Å; V41-N44 PolarHBondContact O-N 3.42Å; V41-Q45 WeakPolarHBondContact O-CG 3.43Å; V41-Q45 PolarHBondContact O-N 3.4Å
42	L	87.4	Confident	84.5	Confident	70 Å²	70	90 Å²	90	37%	0.366	45%	0.445	S	S	.	.	H	α-helix	trans	-68.1	-42.2	177.2	-177.9	60.8	0	0	0	111.5	V37 E39 N44 Q45 I46	V37-L42 HydrophobicContact CG1-CB 4.41Å; V37-L42 HydrophobicContact CG1-CD2 4.31Å; V37-L42 HydrophobicContact CG1-CG 4.37Å; E39-L42 HydrophobicContact CB-CB 4.12Å; E39-L42 HydrophobicContact CG-CB 4.06Å; E39-L42 PolarHBondContact O-N 2.98Å; L42-N44 VanDerWaalsContact C-N 3.33Å; L42-N44 PolarHBondContact O-N 3.2Å; L42-Q45 PolarHBondContact O-N 3.3Å; L42-I46 HydrophobicContact CD1-CD1 3.86Å; L42-I46 HydrophobicContact CD1-CG1 4.16Å; L42-I46 HydrophobicContact CG-CD1 3.84Å; L42-I46 WeakPolarHBondContact O-CG1 3.28Å; L42-I46 PolarHBondContact O-N 2.78Å
43	Q	87.3	Confident	84.2	Confident	45 Å²	45	89.5 Å²	89.5	21%	0.21	45%	0.445	C	S	.	.	H	α-helix	trans	-55.4	-47	174.3	-176.1	-177.8	69.5	0	0	111.5	L34 V37 E39 R47	L34-Q43 HydrophobicContact CD2-CG 4.47Å; L34-Q43 PolarHBondContact O-NE2 3.47Å; V37-Q43 HydrophobicContact CB-CB 4.19Å; V37-Q43 HydrophobicContact CG1-CB 4.13Å; V37-Q43 PolarHBondContact O-NE2 2.92Å; E39-Q43 WeakPolarHBondContact O-CB 3.41Å; E39-Q43 PolarHBondContact O-N 2.85Å; Q43-R47 VanDerWaalsContact O-CB 3.29Å; Q43-R47 WeakPolarHBondContact O-CB 3.46Å; Q43-R47 PolarHBondContact O-N 2.91Å
44	N	83.6	Confident	83.7	Confident	85 Å²	85	85.9 Å²	85.9	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-67.3	-42.1	177.8	-76.4	-34.8	0	0	0	112.8	P40 V41 L42 I46 R47 E48	P40-N44 WeakPolarHBondContact O-CB 3.32Å; P40-N44 VanDerWaalsContact O-CG 3.31Å; P40-N44 PolarHBondContact O-N 2.56Å; P40-N44 VanDerWaalsContact O-N 3.1Å; P40-N44 PolarHBondContact O-ND2 2.91Å; V41-N44 PolarHBondContact O-N 3.42Å; L42-N44 VanDerWaalsContact C-N 3.33Å; L42-N44 PolarHBondContact O-N 3.2Å; N44-I46 PolarHBondContact O-N 2.89Å; N44-R47 PolarHBondContact O-N 3.4Å; N44-E48 WeakPolarHBondContact O-CG 3.4Å; N44-E48 PolarHBondContact O-N 3.19Å
45	Q	87	Confident	82.8	Confident	101 Å²	101	88 Å²	88	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-61.5	-42.2	177.1	-74.3	173.9	8.5	0	0	112.4	V41 L42 H49	V41-Q45 WeakPolarHBondContact O-CG 3.43Å; V41-Q45 PolarHBondContact O-N 3.4Å; L42-Q45 PolarHBondContact O-N 3.3Å; Q45-H49 PolarHBondContact O-CD2 3.35Å; Q45-H49 PolarHBondContact O-N 3.43Å; Q45-H49 VanDerWaalsContact O-N 3.09Å
46	I	84.1	Confident	81.9	Confident	60 Å²	60	83.9 Å²	83.9	31%	0.308	43%	0.428	S	S	.	.	H	α-helix	trans	-71.3	-37.9	176.9	-57.7	163.9	0	0	0	110.3	L34 L42 N44 E48 H49 V50	L34-I46 HydrophobicContact CD1-CG2 4.22Å; L34-I46 HydrophobicContact CD2-CB 3.55Å; L34-I46 HydrophobicContact CD2-CD1 4.27Å; L34-I46 HydrophobicContact CD2-CG2 3.58Å; L34-I46 HydrophobicContact CG-CG2 4.26Å; L42-I46 HydrophobicContact CD1-CD1 3.86Å; L42-I46 HydrophobicContact CD1-CG1 4.16Å; L42-I46 HydrophobicContact CG-CD1 3.84Å; L42-I46 WeakPolarHBondContact O-CG1 3.28Å; L42-I46 PolarHBondContact O-N 2.78Å; N44-I46 PolarHBondContact O-N 2.89Å; I46-E48 PolarHBondContact O-N 3.13Å; I46-H49 PolarHBondContact O-N 3.34Å; I46-H49 VanDerWaalsContact O-N 3.14Å; I46-V50 HydrophobicContact CG2-CG2 4.3Å; I46-V50 WeakPolarHBondContact O-CG2 3.3Å; I46-V50 PolarHBondContact O-N 3.1Å
47	R	83.4	Confident	81	Confident	49 Å²	49	75.6 Å²	75.6	19%	0.185	40%	0.398	C	S	.	.	H	α-helix	trans	-57.8	-46.8	172.7	-178	179.1	-74.6	-88.4	-3.1	111.6	Y31 L34 Q43 N44 H49 V50 I51 E103	Y31-R47 HydrophobicContact CE1-CG 4.41Å; L34-R47 HydrophobicContact CD1-CB 4.33Å; Q43-R47 VanDerWaalsContact O-CB 3.29Å; Q43-R47 WeakPolarHBondContact O-CB 3.46Å; Q43-R47 PolarHBondContact O-N 2.91Å; N44-R47 PolarHBondContact O-N 3.4Å; R47-H49 VanDerWaalsContact C-N 3.31Å; R47-H49 PolarHBondContact O-N 2.87Å; R47-V50 PolarHBondContact O-N 3.02Å; R47-I51 HydrophobicContact CG-CD1 3.94Å; R47-I51 WeakPolarHBondContact O-CB 3.32Å; R47-I51 VanDerWaalsContact O-CG1 3.3Å; R47-I51 WeakPolarHBondContact O-CG1 3.49Å; R47-I51 PolarHBondContact O-N 3.34Å; R47-E103 WeakPolarHBondContact CD-OE1 3.32Å; R47-E103 IonicContact CZ-OE1 3.2Å; R47-E103 IonicContact NE-OE1 2.8Å; R47-E103 VanDerWaalsContact NH1-CD 3.28Å; R47-E103 IonicContact NH1-OE1 2.76Å; R47-E103 PolarHBondContact NH1-OE1 3.35Å; R47-E103 IonicContact NH1-OE2 3.91Å; R47-E103 PolarHBondContact NH1-OE2 3.05Å; R47-E103 VanDerWaalsContact NH1-OE2 3.09Å
48	E	81.5	Confident	79.7	Confident	134 Å²	134	74.8 Å²	74.8	63%	0.626	39%	0.393	S	S	*	.	H	α-helix	trans	-58.3	-40.4	173.3	-74.8	-176.4	167.7	0	0	112.3	N44 I46 A52	N44-E48 WeakPolarHBondContact O-CG 3.4Å; N44-E48 PolarHBondContact O-N 3.19Å; I46-E48 PolarHBondContact O-N 3.13Å; E48-A52 VanDerWaalsContact O-CB 3.31Å; E48-A52 WeakPolarHBondContact O-CB 3.45Å; E48-A52 PolarHBondContact O-N 3Å
49	H	81.4	Confident	78	Confident	121 Å²	121	68.5 Å²	68.5	56%	0.56	37%	0.366	S	S	*	.	H	α-helix	trans	-68.4	-38	175.8	-70.7	-29	0	0	0	113.4	Q45 I46 R47 A52 I53	Q45-H49 PolarHBondContact O-CD2 3.35Å; Q45-H49 PolarHBondContact O-N 3.43Å; Q45-H49 VanDerWaalsContact O-N 3.09Å; I46-H49 PolarHBondContact O-N 3.34Å; I46-H49 VanDerWaalsContact O-N 3.14Å; R47-H49 VanDerWaalsContact C-N 3.31Å; R47-H49 PolarHBondContact O-N 2.87Å; H49-A52 PolarHBondContact O-N 2.98Å; H49-I53 WeakPolarHBondContact O-CD1 3.21Å; H49-I53 VanDerWaalsContact O-CG1 3.25Å; H49-I53 WeakPolarHBondContact O-CG1 3.42Å; H49-I53 PolarHBondContact O-N 3.21Å
50	V	82.6	Confident	76.2	Confident	12 Å²	12	64.5 Å²	64.5	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-46.2	175.4	176	0	0	0	0	110.3	I27 I30 Y31 L34 I46 R47 A52 I53 E54	I27-V50 HydrophobicContact CG2-CG1 4.25Å; I30-V50 HydrophobicContact CG2-CG1 4.47Å; I30-V50 HydrophobicContact CG2-CG2 3.52Å; Y31-V50 HydrophobicContact CD1-CG1 4.42Å; Y31-V50 HydrophobicContact CE1-CB 4.24Å; Y31-V50 HydrophobicContact CE1-CG1 3.76Å; Y31-V50 HydrophobicContact CE2-CG1 4.07Å; L34-V50 HydrophobicContact CD1-CG2 4.17Å; I46-V50 HydrophobicContact CG2-CG2 4.3Å; I46-V50 WeakPolarHBondContact O-CG2 3.3Å; I46-V50 PolarHBondContact O-N 3.1Å; R47-V50 PolarHBondContact O-N 3.02Å; V50-A52 VanDerWaalsContact C-N 3.31Å; V50-A52 PolarHBondContact O-N 3.08Å; V50-I53 PolarHBondContact O-N 3.27Å; V50-I53 VanDerWaalsContact O-N 3.12Å; V50-E54 WeakPolarHBondContact O-CB 3.4Å; V50-E54 PolarHBondContact O-N 2.61Å
51	I	74.8	Confident	74.4	Confident	65 Å²	65	68 Å²	68	33%	0.333	36%	0.359	S	S	.	.	H	α-helix	trans	-57	-45.2	173.4	-68.4	166.6	0	0	0	110.2	R47 I53 E54 D55	R47-I51 HydrophobicContact CG-CD1 3.94Å; R47-I51 WeakPolarHBondContact O-CB 3.32Å; R47-I51 VanDerWaalsContact O-CG1 3.3Å; R47-I51 WeakPolarHBondContact O-CG1 3.49Å; R47-I51 PolarHBondContact O-N 3.34Å; I51-I53 VanDerWaalsContact C-N 3.33Å; I51-I53 PolarHBondContact O-N 2.83Å; I51-E54 PolarHBondContact O-N 2.96Å; I51-D55 WeakPolarHBondContact O-CB 3.49Å; I51-D55 PolarHBondContact O-N 3.44Å
52	A	73.2	Confident	72.2	Confident	56 Å²	56	71.7 Å²	71.7	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-64.8	-33.2	177.8	0	0	0	0	0	113.6	E48 H49 V50 A56	E48-A52 VanDerWaalsContact O-CB 3.31Å; E48-A52 WeakPolarHBondContact O-CB 3.45Å; E48-A52 PolarHBondContact O-N 3Å; H49-A52 PolarHBondContact O-N 2.98Å; V50-A52 VanDerWaalsContact C-N 3.31Å; V50-A52 PolarHBondContact O-N 3.08Å; A52-A56 VanDerWaalsContact O-CB 3.26Å; A52-A56 WeakPolarHBondContact O-CB 3.37Å; A52-A56 PolarHBondContact O-N 3.38Å
53	I	74.9	Confident	70.4	Confident	114 Å²	114	74.4 Å²	74.4	59%	0.585	38%	0.376	S	S	*	.	H	α-helix	trans	-71.8	-42.7	174.2	-71.4	163.5	0	0	0	110.8	H49 V50 I51 A56 F57	H49-I53 WeakPolarHBondContact O-CD1 3.21Å; H49-I53 VanDerWaalsContact O-CG1 3.25Å; H49-I53 WeakPolarHBondContact O-CG1 3.42Å; H49-I53 PolarHBondContact O-N 3.21Å; V50-I53 PolarHBondContact O-N 3.27Å; V50-I53 VanDerWaalsContact O-N 3.12Å; I51-I53 VanDerWaalsContact C-N 3.33Å; I51-I53 PolarHBondContact O-N 2.83Å; I53-A56 PolarHBondContact O-N 3.42Å; I53-F57 WeakPolarHBondContact O-CB 3.34Å; I53-F57 PolarHBondContact O-N 3.23Å
54	E	71.7	Confident	68.6	Low	30 Å²	30	73.6 Å²	73.6	14%	0.14	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-45.3	175.5	-174.1	170.7	-178.9	0	0	110.9	H24 I27 Y31 V50 I51 A56 F57 V58	H24-E54 IonicContact CE1-OE1 3.77Å; I27-E54 HydrophobicContact CD1-CB 4.5Å; I27-E54 HydrophobicContact CD1-CG 4.33Å; Y31-E54 PolarHBondContact OH-OE2 3.06Å; Y31-E54 VanDerWaalsContact OH-OE2 3.06Å; V50-E54 WeakPolarHBondContact O-CB 3.4Å; V50-E54 PolarHBondContact O-N 2.61Å; I51-E54 PolarHBondContact O-N 2.96Å; E54-A56 PolarHBondContact O-N 3.01Å; E54-F57 PolarHBondContact O-N 3.5Å; E54-V58 HydrophobicContact CG-CG2 4.36Å; E54-V58 WeakPolarHBondContact O-CG2 3.21Å; E54-V58 PolarHBondContact O-N 3.15Å
55	D	65.5	Low	66.6	Low	47 Å²	47	73.5 Å²	73.5	25%	0.251	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-43	173.1	-115.1	64.8	0	0	0	111.8	I51 F57 V58 N59 R106	I51-D55 WeakPolarHBondContact O-CB 3.49Å; I51-D55 PolarHBondContact O-N 3.44Å; D55-F57 VanDerWaalsContact C-N 3.34Å; D55-F57 PolarHBondContact O-N 2.89Å; D55-V58 PolarHBondContact O-N 3.41Å; D55-N59 WeakPolarHBondContact O-CB 3.42Å; D55-N59 VanDerWaalsContact O-CG 3.24Å; D55-N59 PolarHBondContact O-N 3.2Å; D55-N59 PolarHBondContact O-ND2 3.47Å; D55-N59 PolarHBondContact OD2-ND2 3.14Å; D55-R106 VanDerWaalsContact CG-CZ 3.46Å; D55-R106 IonicContact OD1-CZ 3.39Å; D55-R106 IonicContact OD1-NE 3.67Å; D55-R106 PolarHBondContact OD1-NE 2.64Å; D55-R106 IonicContact OD1-NH1 3.77Å; D55-R106 IonicContact OD1-NH2 2.7Å; D55-R106 PolarHBondContact OD1-NH2 2.83Å; D55-R106 IonicContact OD2-CZ 3.81Å; D55-R106 IonicContact OD2-NH1 2.67Å; D55-R106 IonicContact OD2-NH2 3.17Å; D55-R106 PolarHBondContact OD2-NH2 3.31Å
56	A	65.9	Low	64.8	Low	61 Å²	61	71.4 Å²	71.4	50%	0.504	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-42.3	175.1	0	0	0	0	0	111.6	A52 I53 E54 S60	A52-A56 VanDerWaalsContact O-CB 3.26Å; A52-A56 WeakPolarHBondContact O-CB 3.37Å; A52-A56 PolarHBondContact O-N 3.38Å; I53-A56 PolarHBondContact O-N 3.42Å; E54-A56 PolarHBondContact O-N 3.01Å; A56-S60 WeakPolarHBondContact O-CB 3.35Å; A56-S60 PolarHBondContact O-N 3.27Å
57	F	66.1	Low	63.3	Low	27 Å²	27	79.5 Å²	79.5	12%	0.118	40%	0.397	C	S	.	.	H	α-helix	trans	-66.1	-45.3	178.2	179.9	-117.9	0	0	0	112.5	F20 V23 I53 E54 D55 W63	F20-F57 HydrophobicContact CD2-CD1 4.12Å; F20-F57 AromaticContact CD2-CE1 3.51Å; F20-F57 HydrophobicContact CD2-CE1 3.51Å; F20-F57 HydrophobicContact CD2-CZ 4.23Å; F20-F57 HydrophobicContact CE2-CD1 4.15Å; F20-F57 AromaticContact CE2-CE1 3.97Å; F20-F57 HydrophobicContact CE2-CE1 3.97Å; F20-F57 HydrophobicContact CG-CE1 4.41Å; V23-F57 HydrophobicContact CB-CE1 3.88Å; V23-F57 HydrophobicContact CB-CZ 3.97Å; V23-F57 HydrophobicContact CG1-CE1 4.24Å; V23-F57 HydrophobicContact CG1-CZ 4.47Å; V23-F57 HydrophobicContact CG2-CE1 3.96Å; V23-F57 HydrophobicContact CG2-CE2 4.11Å; V23-F57 HydrophobicContact CG2-CZ 3.5Å; I53-F57 WeakPolarHBondContact O-CB 3.34Å; I53-F57 PolarHBondContact O-N 3.23Å; E54-F57 PolarHBondContact O-N 3.5Å; D55-F57 VanDerWaalsContact C-N 3.34Å; D55-F57 PolarHBondContact O-N 2.89Å; F57-W63 HydrophobicContact CD2-CD2 4.33Å; F57-W63 HydrophobicContact CE2-CD2 4.41Å; F57-W63 HydrophobicContact CE2-CG 4.38Å
58	V	62.3	Low	62.1	Low	23 Å²	23	80.3 Å²	80.3	14%	0.139	41%	0.41	C	S	.	.	H	α-helix	trans	-73.6	-39.3	-178.5	-172.5	0	0	0	0	111.8	F20 E54 D55 R106	F20-V58 HydrophobicContact CE2-CB 4.37Å; F20-V58 HydrophobicContact CE2-CG1 4.3Å; F20-V58 HydrophobicContact CE2-CG2 3.66Å; F20-V58 HydrophobicContact CZ-CG2 4.05Å; E54-V58 HydrophobicContact CG-CG2 4.36Å; E54-V58 WeakPolarHBondContact O-CG2 3.21Å; E54-V58 PolarHBondContact O-N 3.15Å; D55-V58 PolarHBondContact O-N 3.41Å; V58-R106 HydrophobicContact CG1-CB 4.03Å; V58-R106 HydrophobicContact CG1-CG 4.44Å; V58-R106 HydrophobicContact CG2-CB 4.03Å
59	N	54.3	Low	61.5	Low	66 Å²	66	75.2 Å²	75.2	35%	0.353	39%	0.388	S	S	.	.	H	α-helix	trans	-83.8	-11.5	-177.7	-59.9	-56	0	0	0	113.4	D55 Q61 R106	D55-N59 WeakPolarHBondContact O-CB 3.42Å; D55-N59 VanDerWaalsContact O-CG 3.24Å; D55-N59 PolarHBondContact O-N 3.2Å; D55-N59 PolarHBondContact O-ND2 3.47Å; D55-N59 PolarHBondContact OD2-ND2 3.14Å; N59-Q61 PolarHBondContact O-N 3.02Å; N59-Q61 VanDerWaalsContact O-N 3.07Å; N59-R106 PolarHBondContact OD1-NH1 2.54Å
60	S	56.8	Low	61.6	Low	26 Å²	26	70.7 Å²	70.7	18%	0.182	37%	0.369	C	S	.	.			trans	-67.6	110.1	-175.6	-179.2	0	0	0	0	112.6	A56 E62 W63	A56-S60 WeakPolarHBondContact O-CB 3.35Å; A56-S60 PolarHBondContact O-N 3.27Å; S60-E62 PolarHBondContact O-N 3.38Å; S60-E62 PolarHBondContact OG-N 2.81Å; S60-W63 PolarHBondContact O-N 2.98Å
61	Q	47.3	Very low	61.8	Low	152 Å²	152	72.5 Å²	72.5	71%	0.71	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20	170	-65.8	-177.5	-9.5	0	0	112.7	N59 L65	N59-Q61 PolarHBondContact O-N 3.02Å; N59-Q61 VanDerWaalsContact O-N 3.07Å; Q61-L65 WeakPolarHBondContact O-CB 3.49Å; Q61-L65 WeakPolarHBondContact O-CD1 3.4Å; Q61-L65 WeakPolarHBondContact O-CG 3.36Å; Q61-L65 PolarHBondContact O-N 3.43Å
62	E	44.8	Very low	62.6	Low	162 Å²	162	69.4 Å²	69.4	76%	0.757	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-26.1	179.2	-58.3	-164.2	143.4	0	0	112.5	S60	S60-E62 PolarHBondContact O-N 3.38Å; S60-E62 PolarHBondContact OG-N 2.81Å
63	W	49.2	Very low	63.6	Low	126 Å²	126	69.1 Å²	69.1	48%	0.477	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-41.7	173.7	-100.6	-82.6	0	0	0	112.7	R19 F57 S60 L65	R19-W63 PolarHBondContact NH1-O 3.21Å; F57-W63 HydrophobicContact CD2-CD2 4.33Å; F57-W63 HydrophobicContact CE2-CD2 4.41Å; F57-W63 HydrophobicContact CE2-CG 4.38Å; S60-W63 PolarHBondContact O-N 2.98Å; W63-L65 PolarHBondContact O-N 3.21Å
64	T	49.4	Very low	64.6	Low	28 Å²	28	63.8 Å²	63.8	17%	0.172	32%	0.322	C	S	.	.	S	Bend	trans	-79	3.2	178.5	67.3	0	0	0	0	114.3	S66 E71	T64-S66 PolarHBondContact O-N 2.74Å; T64-E71 PolarHBondContact OG1-OE1 2.97Å
65	L	43.3	Very low	65.7	Low	84 Å²	84	62.3 Å²	62.3	44%	0.44	32%	0.315	S	S	.	.			trans	-74.7	40.3	-160.9	-123.5	175.3	0	0	0	117.7	Q61 W63 R67	Q61-L65 WeakPolarHBondContact O-CB 3.49Å; Q61-L65 WeakPolarHBondContact O-CD1 3.4Å; Q61-L65 WeakPolarHBondContact O-CG 3.36Å; Q61-L65 PolarHBondContact O-N 3.43Å; W63-L65 PolarHBondContact O-N 3.21Å; L65-R67 HydrophobicContact CD2-CG 3.34Å; L65-R67 VanDerWaalsContact CD2-NE 3.31Å
66	S	47.9	Very low	67.1	Low	56 Å²	56	60.1 Å²	60.1	39%	0.392	30%	0.303	S	S	.	.			trans	-85	104.8	151.4	75	0	0	0	0	109.1	T64 S68 V69	T64-S66 PolarHBondContact O-N 2.74Å; S66-S68 PolarHBondContact O-N 3.43Å; S66-V69 PolarHBondContact O-N 2.79Å; S66-V69 WeakPolarHBondContact OG-CG2 3.38Å
67	R	54	Low	68.5	Low	231 Å²	231	57.2 Å²	57.2	87%	0.872	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	26.2	-173.6	-60.7	-171.8	179.7	-156.2	-3.4	115.2	L65	L65-R67 HydrophobicContact CD2-CG 3.34Å; L65-R67 VanDerWaalsContact CD2-NE 3.31Å
68	S	57.4	Low	69.8	Low	66 Å²	66	56 Å²	56	46%	0.462	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-16	-173.9	48.4	0	0	0	0	114	N9 S66	N9-S68 PolarHBondContact ND2-O 2.94Å; N9-S68 PolarHBondContact OD1-O 2.99Å; S66-S68 PolarHBondContact O-N 3.43Å
69	V	69.3	Low	71.1	Confident	26 Å²	26	56 Å²	56	16%	0.158	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-80.3	128.1	175.8	170.7	0	0	0	0	109.7	A12 I13 S66 L119	A12-V69 HydrophobicContact CB-CG2 3.81Å; I13-V69 HydrophobicContact CD1-CG1 4.19Å; I13-V69 HydrophobicContact CG1-CG1 3.57Å; I13-V69 HydrophobicContact CG1-CG2 4.17Å; S66-V69 PolarHBondContact O-N 2.79Å; S66-V69 WeakPolarHBondContact OG-CG2 3.38Å; V69-L119 HydrophobicContact CG1-CB 3.73Å; V69-L119 HydrophobicContact CG1-CD2 4.38Å
70	P	82.6	Confident	72.7	Confident	26 Å²	26	57.2 Å²	57.2	17%	0.169	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-89.8	118.2	177.4	34.3	-31	0	0	0	110.5	S117 Y118 L119	P70-S117 WeakPolarHBondContact CG-O 3.46Å; P70-Y118 HydrophobicContact CB-CD1 3.58Å; P70-Y118 HydrophobicContact CB-CE1 3.77Å; P70-Y118 HydrophobicContact CG-CD1 3.63Å; P70-Y118 HydrophobicContact CG-CE1 3.94Å; P70-Y118 HydrophobicContact CG-CG 4.14Å; P70-Y118 VanDerWaalsContact O-CA 3.29Å; P70-Y118 WeakPolarHBondContact O-CA 3.44Å; P70-Y118 WeakPolarHBondContact O-CB 3.19Å; P70-L119 PolarHBondContact O-N 3.44Å
71	E	87.3	Confident	74.2	Confident	51 Å²	51	58.3 Å²	58.3	24%	0.238	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	149.8	179.9	-59.6	179.2	172	0	0	112.6	T64 K73 L119 L121 R233	T64-E71 PolarHBondContact OG1-OE1 2.97Å; E71-K73 WeakPolarHBondContact OE2-CE 3.35Å; E71-K73 IonicContact OE2-NZ 2.97Å; E71-L119 CarbonylContact C-O 3.58Å; E71-L119 WeakPolarHBondContact CA-O 3.06Å; E71-L119 HydrophobicContact CG-CD2 4.45Å; E71-L121 HydrophobicContact CB-CD1 4.38Å; E71-L121 HydrophobicContact CG-CD1 4.38Å; E71-R233 VanDerWaalsContact O-CZ 3.28Å; E71-R233 PolarHBondContact O-NH1 2.89Å; E71-R233 PolarHBondContact O-NH2 2.76Å
72	L	92.4	Very high	76.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126	168.9	-59.7	173.6	0	0	0	108.7	I111 Y118 L119 L120 L121 A226 I229 V230	L72-I111 HydrophobicContact CD1-CG2 3.97Å; L72-Y118 HydrophobicContact CD1-CD1 3.96Å; L72-Y118 HydrophobicContact CD1-CD2 4.3Å; L72-Y118 HydrophobicContact CD1-CG 3.71Å; L72-Y118 HydrophobicContact CD2-CD1 3.94Å; L72-Y118 HydrophobicContact CD2-CE1 4.37Å; L72-Y118 HydrophobicContact CG-CD1 3.79Å; L72-Y118 HydrophobicContact CG-CG 3.99Å; L72-L119 PolarHBondContact N-O 2.91Å; L72-L120 HydrophobicContact CB-CD1 3.95Å; L72-L121 PolarHBondContact O-N 2.75Å; L72-A226 HydrophobicContact CD1-CB 3.96Å; L72-I229 HydrophobicContact CB-CD1 4.17Å; L72-I229 HydrophobicContact CD2-CB 4.04Å; L72-I229 HydrophobicContact CD2-CG2 3.47Å; L72-I229 VanDerWaalsContact CD2-CG2 3.47Å; L72-V230 HydrophobicContact CD1-CG2 4.39Å; L72-V230 HydrophobicContact CD2-CG2 4Å
73	K	92.5	Very high	78.5	Confident	50 Å²	50	44 Å²	44	22%	0.217	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114	-175.5	-66.8	174	-178.6	-178.1	0	111.5	E71 L121 W136 D138 A139	E71-K73 WeakPolarHBondContact OE2-CE 3.35Å; E71-K73 IonicContact OE2-NZ 2.97Å; K73-L121 WeakPolarHBondContact CA-O 3.39Å; K73-L121 HydrophobicContact CG-CB 4.21Å; K73-L121 HydrophobicContact CG-CD1 4.04Å; K73-W136 HydrophobicContact CB-CD2 4.36Å; K73-W136 HydrophobicContact CB-CE3 4.03Å; K73-W136 HydrophobicContact CB-CH2 3.91Å; K73-W136 HydrophobicContact CB-CZ2 4.26Å; K73-W136 HydrophobicContact CB-CZ3 3.79Å; K73-W136 HydrophobicContact CD-CD2 4.04Å; K73-W136 HydrophobicContact CD-CG 4.41Å; K73-W136 HydrophobicContact CD-CZ2 4.09Å; K73-W136 WeakPolarHBondContact CD-O 3.35Å; K73-W136 HydrophobicContact CG-CD2 4.44Å; K73-W136 HydrophobicContact CG-CH2 4.04Å; K73-W136 HydrophobicContact CG-CZ2 3.92Å; K73-W136 HydrophobicContact CG-CZ3 4.36Å; K73-D138 HydrophobicContact CB-CB 4.5Å; K73-D138 WeakPolarHBondContact CB-OD2 3.45Å; K73-D138 PolarHBondContact N-OD2 2.9Å; K73-D138 WeakPolarHBondContact O-CA 3.44Å; K73-D138 WeakPolarHBondContact O-CB 3.29Å; K73-D138 PolarHBondContact O-N 3.45Å; K73-A139 PolarHBondContact O-N 2.84Å
74	V	95.9	Very high	80.5	Confident	1 Å²	1	38 Å²	38	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120	-179.8	176.9	0	0	0	0	109.8	I76 L120 L121 I122 R123 I141 V225 I229	V74-I76 HydrophobicContact CG1-CG1 4.2Å; V74-L120 HydrophobicContact CB-CD1 4.44Å; V74-L120 HydrophobicContact CG2-CD1 3.66Å; V74-L121 PolarHBondContact N-O 3.41Å; V74-I122 WeakPolarHBondContact O-CA 3.33Å; V74-R123 PolarHBondContact O-N 3.01Å; V74-I141 HydrophobicContact CG1-CD1 3.81Å; V74-I141 HydrophobicContact CG1-CG1 4.01Å; V74-V225 HydrophobicContact CB-CG1 4.46Å; V74-V225 HydrophobicContact CG1-CG1 4.08Å; V74-V225 HydrophobicContact CG2-CG1 3.51Å; V74-I229 HydrophobicContact CG2-CD1 3.88Å
75	G	94.7	Very high	82.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	143.8	169.5	0	0	0	0	0	111.4	R123 F133 A139 V140 I141	G75-R123 CarbonylContact C-O 3.6Å; G75-R123 WeakPolarHBondContact CA-O 3.37Å; G75-F133 VanDerWaalsContact CA-CZ 3.4Å; G75-A139 PolarHBondContact N-O 3.03Å; G75-V140 CarbonylContact O-C 3.59Å; G75-V140 WeakPolarHBondContact O-CA 3.43Å; G75-I141 PolarHBondContact O-N 3.02Å
76	I	95.9	Very high	84.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.3	179	-57.2	-179.5	0	0	0	107.8	V74 K84 V88 I122 R123 E125 I141 V143 F222	V74-I76 HydrophobicContact CG1-CG1 4.2Å; I76-K84 HydrophobicContact CG2-CB 4.25Å; I76-V88 HydrophobicContact CD1-CG2 3.3Å; I76-V88 HydrophobicContact CG2-CG2 4.45Å; I76-I122 HydrophobicContact CD1-CG2 3.53Å; I76-I122 HydrophobicContact CG1-CG2 4.27Å; I76-R123 PolarHBondContact N-O 3.35Å; I76-E125 PolarHBondContact O-N 2.97Å; I76-I141 WeakPolarHBondContact CA-O 3.31Å; I76-I141 HydrophobicContact CD1-CD1 4.18Å; I76-I141 HydrophobicContact CG1-CB 4.22Å; I76-I141 HydrophobicContact CG1-CD1 4.11Å; I76-I141 HydrophobicContact CG1-CG1 4.44Å; I76-V143 HydrophobicContact CG2-CG2 3.7Å; I76-F222 HydrophobicContact CD1-CE1 3.78Å; I76-F222 HydrophobicContact CD1-CZ 3.73Å
77	V	94.8	Very high	86.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	128.6	-170.3	-147.3	0	0	0	0	110.9	E125 P129 F133 V140 I141 F142 V143 Y158	V77-E125 HydrophobicContact CG1-CB 4.32Å; V77-P129 HydrophobicContact CG1-CB 4.22Å; V77-P129 HydrophobicContact CG1-CG 4.22Å; V77-F133 HydrophobicContact CG2-CE1 3.54Å; V77-F133 HydrophobicContact CG2-CZ 3.53Å; V77-V140 HydrophobicContact CG2-CG1 3.89Å; V77-I141 PolarHBondContact N-O 3.4Å; V77-F142 HydrophobicContact CB-CD1 4.44Å; V77-V143 PolarHBondContact O-N 3.24Å; V77-Y158 HydrophobicContact CB-CD2 4.13Å; V77-Y158 HydrophobicContact CG1-CD2 3.33Å; V77-Y158 HydrophobicContact CG1-CE2 3.64Å; V77-Y158 HydrophobicContact CG1-CG 4.25Å
78	G	92.9	Very high	88.7	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.01	12%	0.121	C	C	.	.			trans	-166.3	-179.9	177	0	0	0	0	0	110.4	V143 Y158	G78-V143 WeakPolarHBondContact CA-O 3.46Å; G78-Y158 WeakPolarHBondContact O-CE2 3.27Å
79	N	90.5	Very high	90.1	Very high	23 Å²	23	19.6 Å²	19.6	12%	0.123	11%	0.112	C	C	.	.			trans	-83.6	173.2	167.8	68.8	-16.9	0	0	0	110.8	A81 S82 D148 S151 T154	N79-A81 PolarHBondContact O-N 2.94Å; N79-A81 PolarHBondContact OD1-N 2.86Å; N79-S82 WeakPolarHBondContact O-CB 3.23Å; N79-S82 PolarHBondContact O-N 2.84Å; N79-S82 VanDerWaalsContact O-N 3.11Å; N79-S82 PolarHBondContact O-OG 2.82Å; N79-S82 WeakPolarHBondContact OD1-CB 3.49Å; N79-S82 PolarHBondContact OD1-N 2.9Å; N79-S82 VanDerWaalsContact OD1-N 3.14Å; N79-D148 PolarHBondContact ND2-OD2 3.31Å; N79-S151 WeakPolarHBondContact ND2-CA 3.48Å; N79-S151 PolarHBondContact ND2-N 3.38Å; N79-S151 WeakPolarHBondContact OD1-CB 3.13Å; N79-T154 HydrophobicContact CB-CG2 4.41Å
80	L	87.6	Confident	91.2	Very high	93 Å²	93	21 Å²	21	49%	0.487	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	11.4	176.7	-73.3	67.9	0	0	0	114.1	P102 G126	L80-P102 HydrophobicContact CD2-CB 3.73Å; L80-G126 VanDerWaalsContact CD1-O 3.28Å; L80-G126 WeakPolarHBondContact CD1-O 3.34Å
81	A	88.9	Confident	91.7	Very high	49 Å²	49	20 Å²	20	41%	0.405	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	13.4	174.2	0	0	0	0	0	111.7	N79 S145	N79-A81 PolarHBondContact O-N 2.94Å; N79-A81 PolarHBondContact OD1-N 2.86Å; A81-S145 WeakPolarHBondContact O-CB 3.43Å
82	S	91.4	Very high	91.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-88.1	-11.4	-175.9	59.8	0	0	0	0	113.5	N79 K84 E100 V143 T178	N79-S82 WeakPolarHBondContact O-CB 3.23Å; N79-S82 PolarHBondContact O-N 2.84Å; N79-S82 VanDerWaalsContact O-N 3.11Å; N79-S82 PolarHBondContact O-OG 2.82Å; N79-S82 WeakPolarHBondContact OD1-CB 3.49Å; N79-S82 PolarHBondContact OD1-N 2.9Å; N79-S82 VanDerWaalsContact OD1-N 3.14Å; S82-K84 PolarHBondContact O-N 3.47Å; S82-K84 WeakPolarHBondContact OG-CB 3.49Å; S82-K84 PolarHBondContact OG-N 3.27Å; S82-E100 PolarHBondContact N-OE1 3.39Å; S82-V143 WeakPolarHBondContact CB-O 3.42Å; S82-V143 WeakPolarHBondContact O-CG1 3.45Å; S82-T178 WeakPolarHBondContact O-CG2 3.44Å; S82-T178 PolarHBondContact O-OG1 2.87Å
83	G	90	Very high	91.2	Very high	12 Å²	12	23.7 Å²	23.7	12%	0.124	13%	0.131	C	C	.	.			trans	71.4	14.2	-170.4	0	0	0	0	0	113.2	S85 A86 L87 E100	G83-S85 VanDerWaalsContact C-N 3.27Å; G83-S85 PolarHBondContact O-N 3.03Å; G83-A86 PolarHBondContact O-N 2.94Å; G83-L87 WeakPolarHBondContact O-CB 3.39Å; G83-L87 PolarHBondContact O-N 2.99Å; G83-E100 WeakPolarHBondContact CA-OE1 3.49Å; G83-E100 PolarHBondContact N-OE1 2.91Å
84	K	92.4	Very high	90.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-54.5	-43.1	-179	65.4	-179.6	-169.1	53.6	0	111.7	I76 S82 L87 V88 E100 S101 D124 E125 V143	I76-K84 HydrophobicContact CG2-CB 4.25Å; S82-K84 PolarHBondContact O-N 3.47Å; S82-K84 WeakPolarHBondContact OG-CB 3.49Å; S82-K84 PolarHBondContact OG-N 3.27Å; K84-L87 PolarHBondContact O-N 2.96Å; K84-V88 WeakPolarHBondContact O-CG2 3.44Å; K84-V88 PolarHBondContact O-N 2.84Å; K84-V88 VanDerWaalsContact O-N 3.11Å; K84-E100 WeakPolarHBondContact CG-OE2 3.02Å; K84-S101 PolarHBondContact NZ-O 3.32Å; K84-D124 WeakPolarHBondContact CD-OD1 3.41Å; K84-D124 IonicContact NZ-OD1 2.68Å; K84-D124 PolarHBondContact NZ-OD1 3.42Å; K84-D124 IonicContact NZ-OD2 3.14Å; K84-D124 PolarHBondContact NZ-OD2 2.99Å; K84-E125 WeakPolarHBondContact CE-O 3.46Å; K84-V143 HydrophobicContact CB-CB 4.18Å; K84-V143 HydrophobicContact CB-CG1 4.39Å; K84-V143 HydrophobicContact CB-CG2 4.26Å
85	S	90.3	Very high	90	Very high	13 Å²	13	27 Å²	27	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-74	-42	-173.8	-39.9	0	0	0	0	110.1	G83 L87 V88 H89 E100 S101	G83-S85 VanDerWaalsContact C-N 3.27Å; G83-S85 PolarHBondContact O-N 3.03Å; S85-L87 PolarHBondContact O-N 2.75Å; S85-V88 PolarHBondContact O-N 2.73Å; S85-H89 WeakPolarHBondContact O-CB 3.35Å; S85-H89 PolarHBondContact O-N 2.81Å; S85-E100 WeakPolarHBondContact CB-OE2 3.46Å; S85-E100 PolarHBondContact N-OE2 3.17Å; S85-E100 VanDerWaalsContact N-OE2 3.15Å; S85-E100 PolarHBondContact OG-OE2 2.78Å; S85-S101 PolarHBondContact OG-N 3.47Å
86	A	89.9	Confident	89.5	Confident	5 Å²	5	30 Å²	30	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-39.1	174.4	0	0	0	0	0	112.7	G83 H89 R90 Y96 V97 A212	G83-A86 PolarHBondContact O-N 2.94Å; A86-H89 PolarHBondContact O-N 2.89Å; A86-R90 VanDerWaalsContact O-CB 3.28Å; A86-R90 WeakPolarHBondContact O-CB 3.45Å; A86-R90 PolarHBondContact O-N 3.19Å; A86-Y96 HydrophobicContact CB-CD2 4.3Å; A86-Y96 HydrophobicContact CB-CE2 3.88Å; A86-V97 WeakPolarHBondContact CB-O 3.41Å; A86-A212 HydrophobicContact CB-CB 3.99Å; A86-A212 WeakPolarHBondContact O-CB 3.34Å
87	L	93.2	Very high	88.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-43.3	174.6	176.8	66.5	0	0	0	111.7	G83 K84 S85 Y91 V143 V176 T210 V218 F222	G83-L87 WeakPolarHBondContact O-CB 3.39Å; G83-L87 PolarHBondContact O-N 2.99Å; K84-L87 PolarHBondContact O-N 2.96Å; S85-L87 PolarHBondContact O-N 2.75Å; L87-Y91 PolarHBondContact O-N 3.38Å; L87-Y91 VanDerWaalsContact O-N 3.15Å; L87-V143 HydrophobicContact CD2-CG1 4.26Å; L87-V143 HydrophobicContact CD2-CG2 4.05Å; L87-V176 HydrophobicContact CD2-CG1 3.93Å; L87-T210 HydrophobicContact CD1-CG2 4.13Å; L87-V218 HydrophobicContact CD1-CB 4.29Å; L87-V218 HydrophobicContact CD1-CG1 3.96Å; L87-V218 HydrophobicContact CD1-CG2 3.86Å; L87-F222 HydrophobicContact CG-CE2 4.46Å
88	V	92.3	Very high	87.4	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-49.3	175.8	172.5	0	0	0	0	111.2	I76 K84 S85 R90 Y91 L92 F107 I122 F222	I76-V88 HydrophobicContact CD1-CG2 3.3Å; I76-V88 HydrophobicContact CG2-CG2 4.45Å; K84-V88 WeakPolarHBondContact O-CG2 3.44Å; K84-V88 PolarHBondContact O-N 2.84Å; K84-V88 VanDerWaalsContact O-N 3.11Å; S85-V88 PolarHBondContact O-N 2.73Å; V88-R90 VanDerWaalsContact C-N 3.33Å; V88-R90 PolarHBondContact O-N 3.45Å; V88-Y91 WeakPolarHBondContact O-CB 3.29Å; V88-Y91 PolarHBondContact O-N 3.39Å; V88-Y91 VanDerWaalsContact O-N 3.12Å; V88-L92 HydrophobicContact CG1-CD1 3.7Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 WeakPolarHBondContact O-CG 3.11Å; V88-L92 PolarHBondContact O-N 3.4Å; V88-F107 HydrophobicContact CG1-CD2 3.6Å; V88-F107 HydrophobicContact CG1-CE2 3.58Å; V88-F107 HydrophobicContact CG1-CG 4.35Å; V88-F107 HydrophobicContact CG1-CZ 4.3Å; V88-I122 HydrophobicContact CG1-CG2 4.34Å; V88-I122 HydrophobicContact CG2-CG2 4.38Å; V88-F222 HydrophobicContact CG2-CZ 4.4Å
89	H	87.6	Confident	86.2	Confident	60 Å²	60	47.3 Å²	47.3	28%	0.278	26%	0.26	S	S	.	.	H	α-helix	trans	-56.3	-49	178	-173.9	-89.8	0	0	0	110.9	S85 A86 Y91 L92 T93 T95 V97	S85-H89 WeakPolarHBondContact O-CB 3.35Å; S85-H89 PolarHBondContact O-N 2.81Å; A86-H89 PolarHBondContact O-N 2.89Å; H89-Y91 VanDerWaalsContact C-N 3.26Å; H89-Y91 PolarHBondContact O-N 2.98Å; H89-L92 PolarHBondContact O-N 3.49Å; H89-T93 PolarHBondContact CE1-OG1 2.97Å; H89-T93 PolarHBondContact ND1-OG1 3.46Å; H89-T93 PolarHBondContact O-N 3.02Å; H89-T93 PolarHBondContact O-OG1 3.04Å; H89-T95 PolarHBondContact CE1-OG1 2.81Å; H89-T95 VanDerWaalsContact CE1-OG1 3.3Å; H89-T95 PolarHBondContact ND1-O 2.8Å; H89-V97 WeakPolarHBondContact CE1-CG2 3.36Å
90	R	91.2	Very high	85.2	Confident	56 Å²	56	48.3 Å²	48.3	21%	0.211	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-35.4	178.4	-177.2	59.8	178.4	-122.6	15.5	112.9	A86 V88 G94 T95 A212 T213 V218	A86-R90 VanDerWaalsContact O-CB 3.28Å; A86-R90 WeakPolarHBondContact O-CB 3.45Å; A86-R90 PolarHBondContact O-N 3.19Å; V88-R90 VanDerWaalsContact C-N 3.33Å; V88-R90 PolarHBondContact O-N 3.45Å; R90-G94 VanDerWaalsContact CD-C 3.48Å; R90-G94 WeakPolarHBondContact CD-O 3.46Å; R90-G94 VanDerWaalsContact CZ-O 3.23Å; R90-G94 PolarHBondContact NE-O 3.47Å; R90-G94 PolarHBondContact NH2-O 3.4Å; R90-G94 VanDerWaalsContact O-CA 3.3Å; R90-G94 WeakPolarHBondContact O-CA 3.31Å; R90-G94 PolarHBondContact O-N 2.93Å; R90-G94 VanDerWaalsContact O-N 3.13Å; R90-T95 WeakPolarHBondContact CA-O 3.22Å; R90-A212 HydrophobicContact CB-CB 3.9Å; R90-A212 VanDerWaalsContact CD-O 3.24Å; R90-A212 WeakPolarHBondContact CD-O 3.39Å; R90-A212 HydrophobicContact CG-CB 4.39Å; R90-A212 VanDerWaalsContact CG-O 3.25Å; R90-A212 WeakPolarHBondContact CG-O 3.48Å; R90-A212 PolarHBondContact NH1-O 3.3Å; R90-T213 VanDerWaalsContact NH1-C 3.32Å; R90-T213 PolarHBondContact NH1-O 3.08Å; R90-V218 HydrophobicContact CB-CG1 4.5Å; R90-V218 HydrophobicContact CG-CG1 4.36Å; R90-V218 HydrophobicContact CG-CG2 4.19Å
91	Y	93.8	Very high	84.4	Confident	5 Å²	5	45.8 Å²	45.8	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-69.5	-37.5	175	178.3	-112.4	0	0	0	112.5	L87 V88 H89 K109 L120 I122 V218 E219 F222	L87-Y91 PolarHBondContact O-N 3.38Å; L87-Y91 VanDerWaalsContact O-N 3.15Å; V88-Y91 WeakPolarHBondContact O-CB 3.29Å; V88-Y91 PolarHBondContact O-N 3.39Å; V88-Y91 VanDerWaalsContact O-N 3.12Å; H89-Y91 VanDerWaalsContact C-N 3.26Å; H89-Y91 PolarHBondContact O-N 2.98Å; Y91-K109 HydrophobicContact CD1-CD 4.13Å; Y91-K109 HydrophobicContact CE1-CD 3.58Å; Y91-K109 PolarHBondContact O-NZ 3.46Å; Y91-L120 HydrophobicContact CE1-CD2 3.74Å; Y91-I122 HydrophobicContact CD1-CD1 3.83Å; Y91-I122 HydrophobicContact CE1-CD1 3.86Å; Y91-V218 HydrophobicContact CD2-CG1 4.39Å; Y91-E219 VanDerWaalsContact CD2-OE2 3.31Å; Y91-E219 WeakPolarHBondContact CD2-OE2 3.28Å; Y91-E219 VanDerWaalsContact CE2-CD 3.47Å; Y91-E219 WeakPolarHBondContact CE2-OE1 3.41Å; Y91-E219 WeakPolarHBondContact CE2-OE2 3.31Å; Y91-F222 HydrophobicContact CD1-CB 4.4Å; Y91-F222 AromaticContact CD1-CD1 3.72Å; Y91-F222 HydrophobicContact CD1-CD1 3.72Å; Y91-F222 AromaticContact CD1-CD2 3.75Å; Y91-F222 HydrophobicContact CD1-CD2 3.75Å; Y91-F222 AromaticContact CD1-CE1 3.8Å; Y91-F222 HydrophobicContact CD1-CE1 3.8Å; Y91-F222 AromaticContact CD1-CE2 3.85Å; Y91-F222 HydrophobicContact CD1-CE2 3.85Å; Y91-F222 AromaticContact CD1-CG 3.68Å; Y91-F222 HydrophobicContact CD1-CG 3.68Å; Y91-F222 AromaticContact CD1-CZ 3.88Å; Y91-F222 HydrophobicContact CD1-CZ 3.88Å; Y91-F222 HydrophobicContact CD2-CB 3.93Å; Y91-F222 AromaticContact CD2-CD2 3.41Å; Y91-F222 HydrophobicContact CD2-CD2 3.41Å; Y91-F222 VanDerWaalsContact CD2-CD2 3.41Å; Y91-F222 HydrophobicContact CD2-CE2 4.05Å; Y91-F222 AromaticContact CD2-CG 3.73Å; Y91-F222 HydrophobicContact CD2-CG 3.73Å; Y91-F222 HydrophobicContact CE1-CB 3.96Å; Y91-F222 AromaticContact CE1-CD1 3.64Å; Y91-F222 HydrophobicContact CE1-CD1 3.64Å; Y91-F222 HydrophobicContact CE1-CD2 4.18Å; Y91-F222 HydrophobicContact CE1-CE1 4.14Å; Y91-F222 AromaticContact CE1-CG 3.66Å; Y91-F222 HydrophobicContact CE1-CG 3.66Å; Y91-F222 HydrophobicContact CE2-CB 3.42Å; Y91-F222 VanDerWaalsContact CE2-CB 3.42Å; Y91-F222 AromaticContact CE2-CD2 3.87Å; Y91-F222 HydrophobicContact CE2-CD2 3.87Å; Y91-F222 AromaticContact CE2-CG 3.69Å; Y91-F222 HydrophobicContact CE2-CG 3.69Å; Y91-F222 HydrophobicContact CG-CB 4.4Å; Y91-F222 HydrophobicContact CG-CD1 4.21Å; Y91-F222 AromaticContact CG-CD2 3.34Å; Y91-F222 HydrophobicContact CG-CD2 3.34Å; Y91-F222 HydrophobicContact CG-CE1 4.33Å; Y91-F222 AromaticContact CG-CE2 3.52Å; Y91-F222 HydrophobicContact CG-CE2 3.52Å; Y91-F222 AromaticContact CG-CG 3.73Å; Y91-F222 HydrophobicContact CG-CG 3.73Å; Y91-F222 HydrophobicContact CG-CZ 4.02Å; Y91-F222 VanDerWaalsContact CZ-CB 3.46Å; Y91-F222 AromaticContact CZ-CG 3.68Å
92	L	88.1	Confident	83.3	Confident	50 Å²	50	47.4 Å²	47.4	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-76.1	-53.3	-178.4	-67.6	169.4	0	0	0	112.5	V88 H89 F107 K109 I122	V88-L92 HydrophobicContact CG1-CD1 3.7Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 WeakPolarHBondContact O-CG 3.11Å; V88-L92 PolarHBondContact O-N 3.4Å; H89-L92 PolarHBondContact O-N 3.49Å; L92-F107 HydrophobicContact CD1-CB 3.65Å; L92-F107 HydrophobicContact CD1-CD1 3.48Å; L92-F107 VanDerWaalsContact CD1-CD1 3.48Å; L92-F107 HydrophobicContact CD1-CD2 4.03Å; L92-F107 HydrophobicContact CD1-CE1 4.09Å; L92-F107 HydrophobicContact CD1-CG 3.43Å; L92-F107 VanDerWaalsContact CD1-CG 3.43Å; L92-F107 HydrophobicContact CD2-CB 4.13Å; L92-K109 HydrophobicContact CD2-CB 4.01Å; L92-K109 HydrophobicContact CD2-CD 4.17Å; L92-I122 HydrophobicContact CD2-CD1 4.15Å
93	T	82.3	Confident	82	Confident	77 Å²	77	52.5 Å²	52.5	47%	0.472	28%	0.284	S	S	.	.	H	α-helix	trans	-100	-18.3	-168.4	63.9	0	0	0	0	114	H89 T95	H89-T93 PolarHBondContact CE1-OG1 2.97Å; H89-T93 PolarHBondContact ND1-OG1 3.46Å; H89-T93 PolarHBondContact O-N 3.02Å; H89-T93 PolarHBondContact O-OG1 3.04Å; T93-T95 PolarHBondContact O-N 2.94Å; T93-T95 PolarHBondContact OG1-N 3.5Å; T93-T95 PolarHBondContact OG1-OG1 3.19Å; T93-T95 VanDerWaalsContact OG1-OG1 3.07Å
94	G	83.6	Confident	81.3	Confident	42 Å²	42	52.6 Å²	52.6	43%	0.433	29%	0.285	S	S	.	.	S	Bend	trans	77.3	-0.7	-170.8	0	0	0	0	0	114.8	R90	R90-G94 VanDerWaalsContact CD-C 3.48Å; R90-G94 WeakPolarHBondContact CD-O 3.46Å; R90-G94 VanDerWaalsContact CZ-O 3.23Å; R90-G94 PolarHBondContact NE-O 3.47Å; R90-G94 PolarHBondContact NH2-O 3.4Å; R90-G94 VanDerWaalsContact O-CA 3.3Å; R90-G94 WeakPolarHBondContact O-CA 3.31Å; R90-G94 PolarHBondContact O-N 2.93Å; R90-G94 VanDerWaalsContact O-N 3.13Å
95	T	79.9	Confident	80.6	Confident	78 Å²	78	53.3 Å²	53.3	48%	0.479	29%	0.292	S	S	.	.	S	Bend	trans	-111.2	153.9	177.8	60.6	0	0	0	0	112.4	H89 R90 T93	H89-T95 PolarHBondContact CE1-OG1 2.81Å; H89-T95 VanDerWaalsContact CE1-OG1 3.3Å; H89-T95 PolarHBondContact ND1-O 2.8Å; R90-T95 WeakPolarHBondContact CA-O 3.22Å; T93-T95 PolarHBondContact O-N 2.94Å; T93-T95 PolarHBondContact OG1-N 3.5Å; T93-T95 PolarHBondContact OG1-OG1 3.19Å; T93-T95 VanDerWaalsContact OG1-OG1 3.07Å
96	Y	82.8	Confident	80.3	Confident	65 Å²	65	53.7 Å²	53.7	26%	0.255	29%	0.292	S	S	.	.			trans	-89.7	136.3	174.4	177.2	-114	0	0	0	110.5	A86 Q98 D180 A212 T213	A86-Y96 HydrophobicContact CB-CD2 4.3Å; A86-Y96 HydrophobicContact CB-CE2 3.88Å; Y96-Q98 HydrophobicContact CE1-CB 4.01Å; Y96-D180 HydrophobicContact CE2-CB 4.41Å; Y96-A212 HydrophobicContact CD2-CB 3.67Å; Y96-A212 HydrophobicContact CE2-CB 3.99Å; Y96-T213 HydrophobicContact CD1-CG2 4.37Å
97	V	77.4	Confident	80	Confident	52 Å²	52	55.9 Å²	55.9	32%	0.315	30%	0.301	S	S	.	.			trans	-134.7	133.5	169.1	166.5	0	0	0	0	105.9	A86 H89 E99	A86-V97 WeakPolarHBondContact CB-O 3.41Å; H89-V97 WeakPolarHBondContact CE1-CG2 3.36Å; V97-E99 VanDerWaalsContact C-N 3.32Å; V97-E99 HydrophobicContact CG1-CB 3.66Å
98	Q	69.8	Low	79.7	Confident	152 Å²	152	56.3 Å²	56.3	71%	0.71	30%	0.303	S	S	*	.			trans	-87.4	-2.9	-175	-173.5	166	-5	0	0	113.1	Y96 E100	Y96-Q98 HydrophobicContact CE1-CB 4.01Å; Q98-E100 PolarHBondContact O-N 2.91Å
99	E	67.6	Low	79.5	Confident	160 Å²	160	58.2 Å²	58.2	75%	0.748	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-76	119	-178.7	-162.2	162.3	-149.9	0	0	111	V97	V97-E99 VanDerWaalsContact C-N 3.32Å; V97-E99 HydrophobicContact CG1-CB 3.66Å
100	E	70.2	Confident	79.7	Confident	44 Å²	44	57.4 Å²	57.4	21%	0.206	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-90.3	126.3	174.1	-78.2	-93.9	-137.5	0	0	109.5	S82 G83 K84 S85 Q98 P102	S82-E100 PolarHBondContact N-OE1 3.39Å; G83-E100 WeakPolarHBondContact CA-OE1 3.49Å; G83-E100 PolarHBondContact N-OE1 2.91Å; K84-E100 WeakPolarHBondContact CG-OE2 3.02Å; S85-E100 WeakPolarHBondContact CB-OE2 3.46Å; S85-E100 PolarHBondContact N-OE2 3.17Å; S85-E100 VanDerWaalsContact N-OE2 3.15Å; S85-E100 PolarHBondContact OG-OE2 2.78Å; Q98-E100 PolarHBondContact O-N 2.91Å; E100-P102 WeakPolarHBondContact O-CD 3.48Å
101	S	70.8	Confident	79.7	Confident	39 Å²	39	55 Å²	55	27%	0.273	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-78.1	118.9	174.9	178.5	0	0	0	0	110.4	K84 S85 E103 G104	K84-S101 PolarHBondContact NZ-O 3.32Å; S85-S101 PolarHBondContact OG-N 3.47Å; S101-E103 VanDerWaalsContact C-N 3.34Å; S101-G104 WeakPolarHBondContact CB-O 3.4Å; S101-G104 PolarHBondContact OG-N 3.34Å; S101-G104 VanDerWaalsContact OG-N 3.09Å; S101-G104 PolarHBondContact OG-O 3.1Å
102	P	64.5	Low	79.6	Confident	84 Å²	84	58.2 Å²	58.2	55%	0.545	32%	0.318	S	S	.	.	S	Bend	trans	-74.1	-27	177.4	31	-34.6	0	0	0	112.3	L80 E100 G126	L80-P102 HydrophobicContact CD2-CB 3.73Å; E100-P102 WeakPolarHBondContact O-CD 3.48Å; P102-G126 WeakPolarHBondContact O-CA 3.21Å
103	E	65.4	Low	79.8	Confident	107 Å²	107	55.9 Å²	55.9	50%	0.5	31%	0.306	S	S	.	.	S	Bend	trans	-88	-16.8	179.9	-66.2	174.3	147.3	0	0	111.7	R47 S101	R47-E103 WeakPolarHBondContact CD-OE1 3.32Å; R47-E103 IonicContact CZ-OE1 3.2Å; R47-E103 IonicContact NE-OE1 2.8Å; R47-E103 VanDerWaalsContact NH1-CD 3.28Å; R47-E103 IonicContact NH1-OE1 2.76Å; R47-E103 PolarHBondContact NH1-OE1 3.35Å; R47-E103 IonicContact NH1-OE2 3.91Å; R47-E103 PolarHBondContact NH1-OE2 3.05Å; R47-E103 VanDerWaalsContact NH1-OE2 3.09Å; S101-E103 VanDerWaalsContact C-N 3.34Å
104	G	74.1	Confident	80	Confident	13 Å²	13	57.6 Å²	57.6	13%	0.134	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.9	-153	-175.9	0	0	0	0	0	112.5	S101 D124	S101-G104 WeakPolarHBondContact CB-O 3.4Å; S101-G104 PolarHBondContact OG-N 3.34Å; S101-G104 VanDerWaalsContact OG-N 3.09Å; S101-G104 PolarHBondContact OG-O 3.1Å; G104-D124 CarbonylContact C-O 3.56Å; G104-D124 VanDerWaalsContact CA-O 3.27Å; G104-D124 WeakPolarHBondContact CA-O 3.37Å
105	G	79.2	Confident	79.9	Confident	15 Å²	15	58 Å²	58	16%	0.155	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	155.8	179.1	0	0	0	0	0	114.5	F107 D124	G105-F107 VanDerWaalsContact C-CE2 3.45Å; G105-D124 PolarHBondContact N-O 2.89Å; G105-D124 PolarHBondContact O-N 2.95Å
106	R	82.4	Confident	80.2	Confident	22 Å²	22	57.6 Å²	57.6	8%	0.083	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.3	-177.2	-65	172.2	173.3	-106.4	1	109.9	F20 D55 V58 N59 I122	F20-R106 WeakPolarHBondContact CZ-O 3.49Å; D55-R106 VanDerWaalsContact CG-CZ 3.46Å; D55-R106 IonicContact OD1-CZ 3.39Å; D55-R106 IonicContact OD1-NE 3.67Å; D55-R106 PolarHBondContact OD1-NE 2.64Å; D55-R106 IonicContact OD1-NH1 3.77Å; D55-R106 IonicContact OD1-NH2 2.7Å; D55-R106 PolarHBondContact OD1-NH2 2.83Å; D55-R106 IonicContact OD2-CZ 3.81Å; D55-R106 IonicContact OD2-NH1 2.67Å; D55-R106 IonicContact OD2-NH2 3.17Å; D55-R106 PolarHBondContact OD2-NH2 3.31Å; V58-R106 HydrophobicContact CG1-CB 4.03Å; V58-R106 HydrophobicContact CG1-CG 4.44Å; V58-R106 HydrophobicContact CG2-CB 4.03Å; N59-R106 PolarHBondContact OD1-NH1 2.54Å; R106-I122 WeakPolarHBondContact CA-O 3.28Å
107	F	84.9	Confident	80.4	Confident	51 Å²	51	55 Å²	55	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.4	-169.5	-46.4	-83.8	0	0	0	112.9	V88 L92 G105 I122 D124	V88-F107 HydrophobicContact CG1-CD2 3.6Å; V88-F107 HydrophobicContact CG1-CE2 3.58Å; V88-F107 HydrophobicContact CG1-CG 4.35Å; V88-F107 HydrophobicContact CG1-CZ 4.3Å; L92-F107 HydrophobicContact CD1-CB 3.65Å; L92-F107 HydrophobicContact CD1-CD1 3.48Å; L92-F107 VanDerWaalsContact CD1-CD1 3.48Å; L92-F107 HydrophobicContact CD1-CD2 4.03Å; L92-F107 HydrophobicContact CD1-CE1 4.09Å; L92-F107 HydrophobicContact CD1-CG 3.43Å; L92-F107 VanDerWaalsContact CD1-CG 3.43Å; L92-F107 HydrophobicContact CD2-CB 4.13Å; G105-F107 VanDerWaalsContact C-CE2 3.45Å; F107-I122 HydrophobicContact CB-CB 4.28Å; F107-I122 HydrophobicContact CD2-CB 4.49Å; F107-I122 HydrophobicContact CD2-CG2 4.39Å; F107-I122 PolarHBondContact N-O 2.9Å; F107-I122 PolarHBondContact O-N 2.85Å; F107-D124 HydrophobicContact CE2-CB 4.45Å
108	K	86.3	Confident	81	Confident	9 Å²	9	53.5 Å²	53.5	4%	0.039	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.1	176.9	-61.8	-171.3	-174.7	164.1	0	110.1	E16 I17 F20 L119 L120 L121	E16-K108 IonicContact OE1-NZ 3.61Å; E16-K108 PolarHBondContact OE1-NZ 3.04Å; I17-K108 HydrophobicContact CG1-CB 4Å; F20-K108 HydrophobicContact CB-CD 3.75Å; F20-K108 HydrophobicContact CD1-CB 4.04Å; F20-K108 HydrophobicContact CD1-CD 3.92Å; F20-K108 HydrophobicContact CD1-CG 3.75Å; F20-K108 HydrophobicContact CD2-CD 3.9Å; F20-K108 HydrophobicContact CD2-CG 4.35Å; F20-K108 HydrophobicContact CE1-CB 4.44Å; F20-K108 HydrophobicContact CE1-CG 3.99Å; F20-K108 HydrophobicContact CE2-CD 4.5Å; F20-K108 HydrophobicContact CG-CD 3.57Å; F20-K108 HydrophobicContact CG-CG 3.94Å; F20-K108 HydrophobicContact CZ-CG 4.39Å; K108-L119 HydrophobicContact CB-CD1 4.09Å; K108-L119 HydrophobicContact CD-CD1 4.46Å; K108-L120 WeakPolarHBondContact CA-O 3.09Å; K108-L121 HydrophobicContact CD-CD2 4.22Å; K108-L121 HydrophobicContact CG-CD2 3.79Å
109	K	88.2	Confident	81.9	Confident	42 Å²	42	46.4 Å²	46.4	18%	0.183	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151	173.8	-179.1	169.3	163.2	-168.8	0	111.6	Y91 L92 L120 E219	Y91-K109 HydrophobicContact CD1-CD 4.13Å; Y91-K109 HydrophobicContact CE1-CD 3.58Å; Y91-K109 PolarHBondContact O-NZ 3.46Å; L92-K109 HydrophobicContact CD2-CB 4.01Å; L92-K109 HydrophobicContact CD2-CD 4.17Å; K109-L120 PolarHBondContact N-O 3.08Å; K109-L120 WeakPolarHBondContact O-CB 3.36Å; K109-L120 PolarHBondContact O-N 2.91Å; K109-E219 IonicContact NZ-OE1 2.76Å; K109-E219 IonicContact NZ-OE2 2.79Å; K109-E219 PolarHBondContact NZ-OE2 2.88Å
110	E	90.8	Very high	83.1	Confident	43 Å²	43	38.8 Å²	38.8	20%	0.201	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.7	169.6	-175	171.8	-169	0	0	109.5	S10 I13 R14 I17 S117	S10-E110 WeakPolarHBondContact CA-OE1 3.38Å; S10-E110 VanDerWaalsContact CB-OE1 3.23Å; S10-E110 WeakPolarHBondContact CB-OE1 3.4Å; S10-E110 PolarHBondContact OG-OE1 3.29Å; I13-E110 HydrophobicContact CG2-CB 3.71Å; I13-E110 HydrophobicContact CG2-CG 3.87Å; R14-E110 WeakPolarHBondContact CG-OE2 3.47Å; R14-E110 IonicContact CZ-OE2 3.17Å; R14-E110 IonicContact NH1-OE1 3.53Å; R14-E110 IonicContact NH1-OE2 3.25Å; R14-E110 PolarHBondContact NH1-OE2 2.9Å; I17-E110 HydrophobicContact CD1-CB 4.13Å; I17-E110 VanDerWaalsContact CD1-N 3.35Å; E110-S117 WeakPolarHBondContact OE1-CB 3.25Å; E110-S117 PolarHBondContact OE1-OG 3.31Å
111	I	93	Very high	84	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.2	173	-169	163	0	0	0	110.5	L72 V113 S117 Y118 L120 A226	L72-I111 HydrophobicContact CD1-CG2 3.97Å; I111-V113 HydrophobicContact CG1-CG2 4.41Å; I111-S117 CarbonylContact O-C 3.58Å; I111-S117 WeakPolarHBondContact O-CA 3.35Å; I111-Y118 PolarHBondContact N-O 3.27Å; I111-Y118 VanDerWaalsContact N-O 3.08Å; I111-Y118 PolarHBondContact O-N 3.26Å; I111-L120 HydrophobicContact CB-CB 4.33Å; I111-L120 HydrophobicContact CB-CD2 4.45Å; I111-L120 HydrophobicContact CD1-CD2 4.14Å; I111-L120 HydrophobicContact CG2-CB 3.83Å; I111-L120 HydrophobicContact CG2-CD1 4.47Å; I111-L120 HydrophobicContact CG2-CD2 4.48Å; I111-L120 HydrophobicContact CG2-CG 4.5Å; I111-A226 HydrophobicContact CD1-CB 3.49Å; I111-A226 VanDerWaalsContact CD1-CB 3.49Å; I111-A226 HydrophobicContact CG1-CB 4.34Å
112	V	91.4	Very high	85	Confident	73 Å²	73	35.8 Å²	35.8	44%	0.442	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.4	-178.4	-176.8	0	0	0	0	110.2	Q116 Q223	V112-Q116 WeakPolarHBondContact CA-O 3.24Å; V112-Q223 PolarHBondContact O-NE2 2.73Å
113	V	91.5	Very high	86.2	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.6	178.6	-178.1	0	0	0	0	108.7	I111 G115 Q116 Y118 A226 Q227 V230	I111-V113 HydrophobicContact CG1-CG2 4.41Å; V113-G115 PolarHBondContact O-N 2.9Å; V113-G115 VanDerWaalsContact O-N 3.12Å; V113-Q116 PolarHBondContact N-O 3.17Å; V113-Q116 PolarHBondContact O-N 3.16Å; V113-Y118 HydrophobicContact CB-CD2 4.15Å; V113-Y118 HydrophobicContact CB-CE2 3.91Å; V113-Y118 HydrophobicContact CG2-CD2 4.45Å; V113-A226 HydrophobicContact CG2-CB 3.73Å; V113-Q227 HydrophobicContact CG1-CG 3.93Å; V113-V230 HydrophobicContact CB-CG2 4.35Å; V113-V230 HydrophobicContact CG1-CB 4.13Å; V113-V230 HydrophobicContact CG1-CG1 4.24Å; V113-V230 HydrophobicContact CG1-CG2 4.01Å
114	D	87.3	Confident	87.5	Confident	112 Å²	112	28.2 Å²	28.2	60%	0.599	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	30.6	-174.9	-54.5	-26.4	0	0	0	114.5	Q116 K234	D114-Q116 VanDerWaalsContact C-N 3.3Å; D114-Q116 PolarHBondContact O-N 3.45Å; D114-K234 IonicContact OD2-NZ 2.65Å; D114-K234 PolarHBondContact OD2-NZ 2.97Å
115	G	81.3	Confident	88.1	Confident	50 Å²	50	28.6 Å²	28.6	52%	0.515	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	11.3	-176.4	0	0	0	0	0	114.7	Q6 V113	Q6-G115 PolarHBondContact NE2-O 2.67Å; V113-G115 PolarHBondContact O-N 2.9Å; V113-G115 VanDerWaalsContact O-N 3.12Å
116	Q	85.6	Confident	88.1	Confident	70 Å²	70	28.5 Å²	28.5	33%	0.327	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.2	174	175.8	174.4	-29.7	0	0	110.2	V112 V113 D114 Y118	V112-Q116 WeakPolarHBondContact CA-O 3.24Å; V113-Q116 PolarHBondContact N-O 3.17Å; V113-Q116 PolarHBondContact O-N 3.16Å; D114-Q116 VanDerWaalsContact C-N 3.3Å; D114-Q116 PolarHBondContact O-N 3.45Å; Q116-Y118 HydrophobicContact CB-CE2 3.91Å; Q116-Y118 HydrophobicContact CG-CD2 4.41Å; Q116-Y118 HydrophobicContact CG-CE2 3.8Å; Q116-Y118 PolarHBondContact NE2-OH 2.94Å; Q116-Y118 WeakPolarHBondContact O-CD2 3.29Å; Q116-Y118 VanDerWaalsContact O-CE2 3.3Å; Q116-Y118 WeakPolarHBondContact O-CE2 3.44Å
117	S	87.6	Confident	88.2	Confident	10 Å²	10	28.7 Å²	28.7	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	139.3	172	-58.7	0	0	0	0	111.8	P70 E110 I111	P70-S117 WeakPolarHBondContact CG-O 3.46Å; E110-S117 WeakPolarHBondContact OE1-CB 3.25Å; E110-S117 PolarHBondContact OE1-OG 3.31Å; I111-S117 CarbonylContact O-C 3.58Å; I111-S117 WeakPolarHBondContact O-CA 3.35Å
118	Y	89.1	Confident	88.4	Confident	21 Å²	21	28.6 Å²	28.6	8%	0.082	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150	173.1	-64.8	-100.3	0	0	0	109.9	P70 L72 I111 V113 Q116 L120 V230	P70-Y118 HydrophobicContact CB-CD1 3.58Å; P70-Y118 HydrophobicContact CB-CE1 3.77Å; P70-Y118 HydrophobicContact CG-CD1 3.63Å; P70-Y118 HydrophobicContact CG-CE1 3.94Å; P70-Y118 HydrophobicContact CG-CG 4.14Å; P70-Y118 VanDerWaalsContact O-CA 3.29Å; P70-Y118 WeakPolarHBondContact O-CA 3.44Å; P70-Y118 WeakPolarHBondContact O-CB 3.19Å; L72-Y118 HydrophobicContact CD1-CD1 3.96Å; L72-Y118 HydrophobicContact CD1-CD2 4.3Å; L72-Y118 HydrophobicContact CD1-CG 3.71Å; L72-Y118 HydrophobicContact CD2-CD1 3.94Å; L72-Y118 HydrophobicContact CD2-CE1 4.37Å; L72-Y118 HydrophobicContact CG-CD1 3.79Å; L72-Y118 HydrophobicContact CG-CG 3.99Å; I111-Y118 PolarHBondContact N-O 3.27Å; I111-Y118 VanDerWaalsContact N-O 3.08Å; I111-Y118 PolarHBondContact O-N 3.26Å; V113-Y118 HydrophobicContact CB-CD2 4.15Å; V113-Y118 HydrophobicContact CB-CE2 3.91Å; V113-Y118 HydrophobicContact CG2-CD2 4.45Å; Q116-Y118 HydrophobicContact CB-CE2 3.91Å; Q116-Y118 HydrophobicContact CG-CD2 4.41Å; Q116-Y118 HydrophobicContact CG-CE2 3.8Å; Q116-Y118 PolarHBondContact NE2-OH 2.94Å; Q116-Y118 WeakPolarHBondContact O-CD2 3.29Å; Q116-Y118 VanDerWaalsContact O-CE2 3.3Å; Q116-Y118 WeakPolarHBondContact O-CE2 3.44Å; Y118-L120 PolarHBondContact O-N 2.9Å; Y118-V230 HydrophobicContact CE1-CG2 4.01Å; Y118-V230 HydrophobicContact CE2-CG2 4.15Å
119	L	89.1	Confident	88.5	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	108.6	167	178.6	58.9	0	0	0	108.2	I13 E16 I17 V69 P70 E71 L72 K108 L121	I13-L119 HydrophobicContact CG1-CB 4.26Å; I13-L119 HydrophobicContact CG2-CD1 4.24Å; E16-L119 HydrophobicContact CG-CD2 4.43Å; I17-L119 HydrophobicContact CD1-CD1 4.37Å; I17-L119 HydrophobicContact CG1-CD1 4.06Å; V69-L119 HydrophobicContact CG1-CB 3.73Å; V69-L119 HydrophobicContact CG1-CD2 4.38Å; P70-L119 PolarHBondContact O-N 3.44Å; E71-L119 CarbonylContact C-O 3.58Å; E71-L119 WeakPolarHBondContact CA-O 3.06Å; E71-L119 HydrophobicContact CG-CD2 4.45Å; L72-L119 PolarHBondContact N-O 2.91Å; K108-L119 HydrophobicContact CB-CD1 4.09Å; K108-L119 HydrophobicContact CD-CD1 4.46Å; L119-L121 HydrophobicContact CD1-CD2 4.35Å; L119-L121 HydrophobicContact CD2-CD2 3.97Å; L119-L121 HydrophobicContact CG-CD2 3.83Å; L119-L121 HydrophobicContact CG-CG 4.37Å
120	L	91.7	Very high	88.5	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116.5	173.9	-171.3	65.1	0	0	0	108.9	L72 V74 Y91 K108 K109 I111 Y118 I122 F222	L72-L120 HydrophobicContact CB-CD1 3.95Å; V74-L120 HydrophobicContact CB-CD1 4.44Å; V74-L120 HydrophobicContact CG2-CD1 3.66Å; Y91-L120 HydrophobicContact CE1-CD2 3.74Å; K108-L120 WeakPolarHBondContact CA-O 3.09Å; K109-L120 PolarHBondContact N-O 3.08Å; K109-L120 WeakPolarHBondContact O-CB 3.36Å; K109-L120 PolarHBondContact O-N 2.91Å; I111-L120 HydrophobicContact CB-CB 4.33Å; I111-L120 HydrophobicContact CB-CD2 4.45Å; I111-L120 HydrophobicContact CD1-CD2 4.14Å; I111-L120 HydrophobicContact CG2-CB 3.83Å; I111-L120 HydrophobicContact CG2-CD1 4.47Å; I111-L120 HydrophobicContact CG2-CD2 4.48Å; I111-L120 HydrophobicContact CG2-CG 4.5Å; Y118-L120 PolarHBondContact O-N 2.9Å; L120-I122 HydrophobicContact CD2-CD1 4.06Å; L120-I122 HydrophobicContact CD2-CG1 4.09Å; L120-I122 HydrophobicContact CG-CD1 4.42Å; L120-I122 HydrophobicContact CG-CG1 3.96Å; L120-F222 HydrophobicContact CD2-CD1 4.28Å
121	L	90.1	Very high	88.3	Confident	17 Å²	17	30.7 Å²	30.7	9%	0.089	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.4	173	-57.3	179.4	0	0	0	107.6	E71 L72 K73 V74 K108 L119 W136	E71-L121 HydrophobicContact CB-CD1 4.38Å; E71-L121 HydrophobicContact CG-CD1 4.38Å; L72-L121 PolarHBondContact O-N 2.75Å; K73-L121 WeakPolarHBondContact CA-O 3.39Å; K73-L121 HydrophobicContact CG-CB 4.21Å; K73-L121 HydrophobicContact CG-CD1 4.04Å; V74-L121 PolarHBondContact N-O 3.41Å; K108-L121 HydrophobicContact CD-CD2 4.22Å; K108-L121 HydrophobicContact CG-CD2 3.79Å; L119-L121 HydrophobicContact CD1-CD2 4.35Å; L119-L121 HydrophobicContact CD2-CD2 3.97Å; L119-L121 HydrophobicContact CG-CD2 3.83Å; L119-L121 HydrophobicContact CG-CG 4.37Å; L121-W136 HydrophobicContact CB-CH2 3.96Å; L121-W136 HydrophobicContact CB-CZ2 4.02Å; L121-W136 HydrophobicContact CD1-CZ2 4.46Å
122	I	91.8	Very high	87.9	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.5	-179.7	-55.9	171.7	0	0	0	108.3	V74 I76 V88 Y91 L92 R106 F107 L120 F222	V74-I122 WeakPolarHBondContact O-CA 3.33Å; I76-I122 HydrophobicContact CD1-CG2 3.53Å; I76-I122 HydrophobicContact CG1-CG2 4.27Å; V88-I122 HydrophobicContact CG1-CG2 4.34Å; V88-I122 HydrophobicContact CG2-CG2 4.38Å; Y91-I122 HydrophobicContact CD1-CD1 3.83Å; Y91-I122 HydrophobicContact CE1-CD1 3.86Å; L92-I122 HydrophobicContact CD2-CD1 4.15Å; R106-I122 WeakPolarHBondContact CA-O 3.28Å; F107-I122 HydrophobicContact CB-CB 4.28Å; F107-I122 HydrophobicContact CD2-CB 4.49Å; F107-I122 HydrophobicContact CD2-CG2 4.39Å; F107-I122 PolarHBondContact N-O 2.9Å; F107-I122 PolarHBondContact O-N 2.85Å; L120-I122 HydrophobicContact CD2-CD1 4.06Å; L120-I122 HydrophobicContact CD2-CG1 4.09Å; L120-I122 HydrophobicContact CG-CD1 4.42Å; L120-I122 HydrophobicContact CG-CG1 3.96Å; I122-F222 HydrophobicContact CD1-CD1 4.32Å; I122-F222 HydrophobicContact CD1-CE1 3.84Å; I122-F222 HydrophobicContact CG1-CE1 4.37Å
123	R	90.4	Very high	87.8	Confident	27 Å²	27	33.8 Å²	33.8	10%	0.102	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	107.4	174.1	-178.3	169.7	163.9	168.2	-3.9	109.5	V74 G75 I76 E125 F133 W136	V74-R123 PolarHBondContact O-N 3.01Å; G75-R123 CarbonylContact C-O 3.6Å; G75-R123 WeakPolarHBondContact CA-O 3.37Å; I76-R123 PolarHBondContact N-O 3.35Å; R123-E125 IonicContact CZ-OE1 2.75Å; R123-E125 IonicContact NE-OE1 3.1Å; R123-E125 PolarHBondContact NE-OE1 2.75Å; R123-E125 IonicContact NH2-OE1 3.16Å; R123-E125 PolarHBondContact NH2-OE1 3.1Å; R123-E125 IonicContact NH2-OE2 3.18Å; R123-F133 HydrophobicContact CB-CE2 4.44Å; R123-F133 HydrophobicContact CG-CD2 4.23Å; R123-F133 HydrophobicContact CG-CE2 4.18Å; R123-W136 HydrophobicContact CB-CE3 4.37Å; R123-W136 HydrophobicContact CB-CH2 3.76Å; R123-W136 HydrophobicContact CB-CZ3 3.6Å
124	D	90.9	Very high	87.7	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.1	172.3	174	35.8	0	0	0	109.1	K84 G104 G105 F107	K84-D124 WeakPolarHBondContact CD-OD1 3.41Å; K84-D124 IonicContact NZ-OD1 2.68Å; K84-D124 PolarHBondContact NZ-OD1 3.42Å; K84-D124 IonicContact NZ-OD2 3.14Å; K84-D124 PolarHBondContact NZ-OD2 2.99Å; G104-D124 CarbonylContact C-O 3.56Å; G104-D124 VanDerWaalsContact CA-O 3.27Å; G104-D124 WeakPolarHBondContact CA-O 3.37Å; G105-D124 PolarHBondContact N-O 2.89Å; G105-D124 PolarHBondContact O-N 2.95Å; F107-D124 HydrophobicContact CE2-CB 4.45Å
125	E	86.8	Confident	87.6	Confident	21 Å²	21	34.6 Å²	34.6	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.5	177.8	-64.4	-82.4	112	0	0	110	I76 V77 K84 R123 G127 F133	I76-E125 PolarHBondContact O-N 2.97Å; V77-E125 HydrophobicContact CG1-CB 4.32Å; K84-E125 WeakPolarHBondContact CE-O 3.46Å; R123-E125 IonicContact CZ-OE1 2.75Å; R123-E125 IonicContact NE-OE1 3.1Å; R123-E125 PolarHBondContact NE-OE1 2.75Å; R123-E125 IonicContact NH2-OE1 3.16Å; R123-E125 PolarHBondContact NH2-OE1 3.1Å; R123-E125 IonicContact NH2-OE2 3.18Å; E125-G127 PolarHBondContact O-N 3.36Å; E125-F133 VanDerWaalsContact CD-CD2 3.47Å; E125-F133 HydrophobicContact CG-CD1 4.41Å; E125-F133 HydrophobicContact CG-CD2 3.5Å; E125-F133 VanDerWaalsContact CG-CD2 3.5Å; E125-F133 HydrophobicContact CG-CE1 4.3Å; E125-F133 HydrophobicContact CG-CE2 3.36Å; E125-F133 HydrophobicContact CG-CG 4.03Å; E125-F133 HydrophobicContact CG-CZ 3.77Å; E125-F133 WeakPolarHBondContact OE1-CD2 3.45Å
126	G	80.3	Confident	88	Confident	13 Å²	13	34.6 Å²	34.6	13%	0.134	18%	0.183	C	C	.	.	S	Bend	trans	-68.3	-16.2	168.5	0	0	0	0	0	114	L80 P102	L80-G126 VanDerWaalsContact CD1-O 3.28Å; L80-G126 WeakPolarHBondContact CD1-O 3.34Å; P102-G126 WeakPolarHBondContact O-CA 3.21Å
127	G	84.4	Confident	88.3	Confident	25 Å²	25	31.4 Å²	31.4	26%	0.258	17%	0.169	S	C	.	.	S	Bend	trans	-133.4	-173	-169.4	0	0	0	0	0	115.6	E125	E125-G127 PolarHBondContact O-N 3.36Å
128	P	87.8	Confident	88.6	Confident	50 Å²	50	32.5 Å²	32.5	33%	0.325	17%	0.174	S	C	.	.	S	Bend	trans	-71.6	131.7	-177.9	29	-35.3	0	0	0	111.7	E130 Y158 R161	P128-E130 PolarHBondContact O-N 3.29Å; P128-Y158 HydrophobicContact CB-CD1 4.1Å; P128-Y158 HydrophobicContact CB-CE1 3.55Å; P128-R161 PolarHBondContact O-NE 3.41Å; P128-R161 PolarHBondContact O-NH2 2.75Å
129	P	89.4	Confident	88.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-63.6	134.7	-161.6	24.6	-33.7	0	0	0	112.5	V77 F133 Y158 R161 M162 Y165	V77-P129 HydrophobicContact CG1-CB 4.22Å; V77-P129 HydrophobicContact CG1-CG 4.22Å; P129-F133 HydrophobicContact CB-CD1 3.72Å; P129-F133 HydrophobicContact CB-CE1 3.96Å; P129-Y158 HydrophobicContact CG-CG 4.35Å; P129-R161 PolarHBondContact O-NE 3.12Å; P129-M162 HydrophobicContact CB-CE 4.17Å; P129-Y165 WeakPolarHBondContact O-CE2 3.36Å
130	E	88.6	Confident	89.2	Confident	93 Å²	93	31.4 Å²	31.4	44%	0.435	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-94.1	168.4	-175.8	-59.3	-152	139.7	0	0	114.4	P128 Q132 F133 A134	P128-E130 PolarHBondContact O-N 3.29Å; E130-Q132 VanDerWaalsContact C-N 3.31Å; E130-Q132 PolarHBondContact O-N 2.68Å; E130-F133 PolarHBondContact O-N 2.94Å; E130-A134 WeakPolarHBondContact O-CB 3.38Å; E130-A134 PolarHBondContact O-N 2.77Å
131	A	85.9	Confident	89.5	Confident	45 Å²	45	31.3 Å²	31.3	37%	0.372	17%	0.169	S	C	.	.	H	α-helix	trans	-59	-40.6	173.4	0	0	0	0	0	112.4	A134 M135 Y165	A131-A134 PolarHBondContact O-N 3.21Å; A131-M135 WeakPolarHBondContact O-CG 3.42Å; A131-M135 PolarHBondContact O-N 2.88Å; A131-M135 VanDerWaalsContact O-N 3.09Å; A131-Y165 HydrophobicContact CB-CD1 3.68Å; A131-Y165 HydrophobicContact CB-CD2 4.32Å; A131-Y165 HydrophobicContact CB-CE1 3.86Å; A131-Y165 HydrophobicContact CB-CE2 4.47Å; A131-Y165 HydrophobicContact CB-CG 3.94Å
132	Q	84.3	Confident	89.8	Confident	143 Å²	143	30.5 Å²	30.5	67%	0.668	17%	0.165	S	C	*	.	H	α-helix	trans	-63.7	-46.5	177.5	-59	-166.7	38.2	0	0	111.3	E130 M135 W136	E130-Q132 VanDerWaalsContact C-N 3.31Å; E130-Q132 PolarHBondContact O-N 2.68Å; Q132-M135 PolarHBondContact O-N 3.02Å; Q132-W136 WeakPolarHBondContact O-CB 3.5Å; Q132-W136 PolarHBondContact O-N 2.97Å
133	F	88.9	Confident	90	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-50.1	175.8	174.6	-98.4	0	0	0	111.6	G75 V77 R123 E125 P129 E130 M135 W136 V137 M162	G75-F133 VanDerWaalsContact CA-CZ 3.4Å; V77-F133 HydrophobicContact CG2-CE1 3.54Å; V77-F133 HydrophobicContact CG2-CZ 3.53Å; R123-F133 HydrophobicContact CB-CE2 4.44Å; R123-F133 HydrophobicContact CG-CD2 4.23Å; R123-F133 HydrophobicContact CG-CE2 4.18Å; E125-F133 VanDerWaalsContact CD-CD2 3.47Å; E125-F133 HydrophobicContact CG-CD1 4.41Å; E125-F133 HydrophobicContact CG-CD2 3.5Å; E125-F133 VanDerWaalsContact CG-CD2 3.5Å; E125-F133 HydrophobicContact CG-CE1 4.3Å; E125-F133 HydrophobicContact CG-CE2 3.36Å; E125-F133 HydrophobicContact CG-CG 4.03Å; E125-F133 HydrophobicContact CG-CZ 3.77Å; E125-F133 WeakPolarHBondContact OE1-CD2 3.45Å; P129-F133 HydrophobicContact CB-CD1 3.72Å; P129-F133 HydrophobicContact CB-CE1 3.96Å; E130-F133 PolarHBondContact O-N 2.94Å; F133-M135 PolarHBondContact O-N 3.07Å; F133-W136 PolarHBondContact O-N 3.43Å; F133-V137 HydrophobicContact CD2-CG1 4.24Å; F133-V137 HydrophobicContact CE1-CG1 4.24Å; F133-V137 HydrophobicContact CE2-CG1 3.95Å; F133-V137 HydrophobicContact CZ-CG1 3.96Å; F133-V137 WeakPolarHBondContact O-CG1 3.33Å; F133-V137 PolarHBondContact O-N 3.39Å; F133-M162 HydrophobicContact CD1-CE 3.65Å; F133-M162 HydrophobicContact CE1-CE 3.51Å
134	A	89.7	Confident	90.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-32.8	179.1	0	0	0	0	0	113.2	E130 A131 M162 Y165 R166	E130-A134 WeakPolarHBondContact O-CB 3.38Å; E130-A134 PolarHBondContact O-N 2.77Å; A131-A134 PolarHBondContact O-N 3.21Å; A134-M162 HydrophobicContact CB-CE 4.11Å; A134-M162 HydrophobicContact CB-CG 4.47Å; A134-Y165 HydrophobicContact CB-CD2 4.43Å; A134-R166 HydrophobicContact CB-CB 4.47Å; A134-R166 WeakPolarHBondContact O-CD 3.24Å; A134-R166 PolarHBondContact O-NH1 2.85Å
135	M	86.7	Confident	90.6	Very high	129 Å²	129	29 Å²	29	64%	0.635	16%	0.158	S	C	*	.	H	α-helix	trans	-83.8	-21.2	175.8	-66.5	-57.7	-63.8	0	0	114	A131 Q132 F133 R166	A131-M135 WeakPolarHBondContact O-CG 3.42Å; A131-M135 PolarHBondContact O-N 2.88Å; A131-M135 VanDerWaalsContact O-N 3.09Å; Q132-M135 PolarHBondContact O-N 3.02Å; F133-M135 PolarHBondContact O-N 3.07Å; M135-R166 HydrophobicContact SD-CB 4.35Å; M135-R166 HydrophobicContact SD-CG 4.33Å
136	W	88.5	Confident	91	Very high	51 Å²	51	28 Å²	28	19%	0.193	15%	0.154	C	C	.	.	H	α-helix	trans	-81.9	-36.1	-179.6	178.7	97.4	0	0	0	113.5	K73 L121 R123 Q132 F133	K73-W136 HydrophobicContact CB-CD2 4.36Å; K73-W136 HydrophobicContact CB-CE3 4.03Å; K73-W136 HydrophobicContact CB-CH2 3.91Å; K73-W136 HydrophobicContact CB-CZ2 4.26Å; K73-W136 HydrophobicContact CB-CZ3 3.79Å; K73-W136 HydrophobicContact CD-CD2 4.04Å; K73-W136 HydrophobicContact CD-CG 4.41Å; K73-W136 HydrophobicContact CD-CZ2 4.09Å; K73-W136 WeakPolarHBondContact CD-O 3.35Å; K73-W136 HydrophobicContact CG-CD2 4.44Å; K73-W136 HydrophobicContact CG-CH2 4.04Å; K73-W136 HydrophobicContact CG-CZ2 3.92Å; K73-W136 HydrophobicContact CG-CZ3 4.36Å; L121-W136 HydrophobicContact CB-CH2 3.96Å; L121-W136 HydrophobicContact CB-CZ2 4.02Å; L121-W136 HydrophobicContact CD1-CZ2 4.46Å; R123-W136 HydrophobicContact CB-CE3 4.37Å; R123-W136 HydrophobicContact CB-CH2 3.76Å; R123-W136 HydrophobicContact CB-CZ3 3.6Å; Q132-W136 WeakPolarHBondContact O-CB 3.5Å; Q132-W136 PolarHBondContact O-N 2.97Å; F133-W136 PolarHBondContact O-N 3.43Å
137	V	92.4	Very high	91.6	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	15%	0.151	C	C	.	.			trans	-70	143.7	-174.1	-65.9	0	0	0	0	114.1	F133 V140 R166	F133-V137 HydrophobicContact CD2-CG1 4.24Å; F133-V137 HydrophobicContact CE1-CG1 4.24Å; F133-V137 HydrophobicContact CE2-CG1 3.95Å; F133-V137 HydrophobicContact CZ-CG1 3.96Å; F133-V137 WeakPolarHBondContact O-CG1 3.33Å; F133-V137 PolarHBondContact O-N 3.39Å; V137-V140 HydrophobicContact CB-CG2 4.09Å; V137-V140 HydrophobicContact CG1-CG2 4.21Å; V137-V140 HydrophobicContact CG2-CG2 3.69Å; V137-R166 PolarHBondContact O-NH1 2.92Å
138	D	93.8	Very high	92.1	Very high	33 Å²	33	28.5 Å²	28.5	18%	0.176	15%	0.147	C	C	.	.	S	Bend	trans	-85.5	-37	160.3	-72.4	-83.3	0	0	0	111.5	K73 P172 I229 R233	K73-D138 HydrophobicContact CB-CB 4.5Å; K73-D138 WeakPolarHBondContact CB-OD2 3.45Å; K73-D138 PolarHBondContact N-OD2 2.9Å; K73-D138 WeakPolarHBondContact O-CA 3.44Å; K73-D138 WeakPolarHBondContact O-CB 3.29Å; K73-D138 PolarHBondContact O-N 3.45Å; D138-P172 WeakPolarHBondContact O-CD 3.3Å; D138-I229 HydrophobicContact CB-CB 4.34Å; D138-I229 HydrophobicContact CB-CD1 3.77Å; D138-I229 HydrophobicContact CB-CG1 3.77Å; D138-I229 HydrophobicContact CB-CG2 3.6Å; D138-R233 IonicContact OD1-CZ 2.95Å; D138-R233 VanDerWaalsContact OD1-CZ 3.24Å; D138-R233 IonicContact OD1-NE 3.73Å; D138-R233 PolarHBondContact OD1-NE 2.81Å; D138-R233 IonicContact OD1-NH2 3.72Å; D138-R233 PolarHBondContact OD1-NH2 2.75Å; D138-R233 IonicContact OD2-CZ 3.09Å; D138-R233 IonicContact OD2-NH2 2.56Å; D138-R233 PolarHBondContact OD2-NH2 3.05Å
139	A	95.6	Very high	92.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	162	179.1	0	0	0	0	0	112	K73 G75 P172 V225 I229	K73-A139 PolarHBondContact O-N 2.84Å; G75-A139 PolarHBondContact N-O 3.03Å; A139-P172 WeakPolarHBondContact CA-O 3.16Å; A139-P172 HydrophobicContact CB-CB 4.05Å; A139-P172 HydrophobicContact CB-CG 4.26Å; A139-P172 WeakPolarHBondContact CB-O 3.35Å; A139-V225 HydrophobicContact CB-CG1 3.64Å; A139-I229 HydrophobicContact CB-CD1 3.78Å; A139-I229 HydrophobicContact CB-CG1 3.54Å
140	V	95.9	Very high	92.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.6	-176	179.1	0	0	0	0	112.3	G75 V77 V137 F142 M162 I171 P172 L173 V174	G75-V140 CarbonylContact O-C 3.59Å; G75-V140 WeakPolarHBondContact O-CA 3.43Å; V77-V140 HydrophobicContact CG2-CG1 3.89Å; V137-V140 HydrophobicContact CB-CG2 4.09Å; V137-V140 HydrophobicContact CG1-CG2 4.21Å; V137-V140 HydrophobicContact CG2-CG2 3.69Å; V140-F142 HydrophobicContact CG1-CD2 4.37Å; V140-F142 HydrophobicContact CG1-CE1 4.31Å; V140-F142 HydrophobicContact CG1-CE2 4.07Å; V140-F142 HydrophobicContact CG1-CZ 4.03Å; V140-M162 HydrophobicContact CB-SD 4.42Å; V140-M162 HydrophobicContact CG1-SD 4.42Å; V140-M162 HydrophobicContact CG2-CE 3.9Å; V140-M162 HydrophobicContact CG2-SD 3.8Å; V140-I171 HydrophobicContact CG2-CG2 4.15Å; V140-P172 PolarHBondContact N-O 3.32Å; V140-L173 HydrophobicContact CB-CD2 4.02Å; V140-L173 WeakPolarHBondContact O-CA 3.44Å; V140-V174 PolarHBondContact O-N 2.97Å
141	I	97.3	Very high	92.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118	170.1	-52.2	174.2	0	0	0	108.1	V74 G75 I76 V77 V143 V174 V176 V221 F222 V225	V74-I141 HydrophobicContact CG1-CD1 3.81Å; V74-I141 HydrophobicContact CG1-CG1 4.01Å; G75-I141 PolarHBondContact O-N 3.02Å; I76-I141 WeakPolarHBondContact CA-O 3.31Å; I76-I141 HydrophobicContact CD1-CD1 4.18Å; I76-I141 HydrophobicContact CG1-CB 4.22Å; I76-I141 HydrophobicContact CG1-CD1 4.11Å; I76-I141 HydrophobicContact CG1-CG1 4.44Å; V77-I141 PolarHBondContact N-O 3.4Å; I141-V143 HydrophobicContact CG2-CG2 3.91Å; I141-V174 WeakPolarHBondContact CA-O 3.33Å; I141-V176 HydrophobicContact CG2-CB 4.29Å; I141-V176 HydrophobicContact CG2-CG2 3.55Å; I141-V221 HydrophobicContact CD1-CG1 3.86Å; I141-V221 HydrophobicContact CG1-CG1 4.44Å; I141-V221 HydrophobicContact CG2-CG1 4.31Å; I141-F222 HydrophobicContact CD1-CD1 4.3Å; I141-F222 HydrophobicContact CD1-CE1 4.05Å; I141-F222 HydrophobicContact CD1-CZ 4.27Å; I141-V225 HydrophobicContact CD1-CG2 4.07Å; I141-V225 HydrophobicContact CG1-CG2 3.83Å
142	F	96.7	Very high	93.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.5	167.3	-69.3	-72.9	0	0	0	109.2	V77 V140 V155 Y159 M162 L173 V174 L175 V176 L202	V77-F142 HydrophobicContact CB-CD1 4.44Å; V140-F142 HydrophobicContact CG1-CD2 4.37Å; V140-F142 HydrophobicContact CG1-CE1 4.31Å; V140-F142 HydrophobicContact CG1-CE2 4.07Å; V140-F142 HydrophobicContact CG1-CZ 4.03Å; F142-V155 HydrophobicContact CB-CG1 3.73Å; F142-V155 HydrophobicContact CB-CG2 4.25Å; F142-V155 HydrophobicContact CD1-CG1 4.1Å; F142-V155 HydrophobicContact CG-CG1 3.92Å; F142-Y159 HydrophobicContact CE2-CD2 4.17Å; F142-Y159 HydrophobicContact CZ-CD2 4.25Å; F142-M162 HydrophobicContact CZ-SD 4.47Å; F142-L173 HydrophobicContact CE2-CD1 4.34Å; F142-L173 HydrophobicContact CE2-CD2 4.11Å; F142-V174 PolarHBondContact N-O 3.38Å; F142-L175 HydrophobicContact CB-CD1 4.06Å; F142-V176 PolarHBondContact O-N 2.95Å; F142-L202 HydrophobicContact CD2-CD1 4.41Å
143	V	96.8	Very high	93.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.9	-177.8	-165.1	0	0	0	0	109.7	I76 V77 G78 S82 K84 L87 I141 V176 T178	I76-V143 HydrophobicContact CG2-CG2 3.7Å; V77-V143 PolarHBondContact O-N 3.24Å; G78-V143 WeakPolarHBondContact CA-O 3.46Å; S82-V143 WeakPolarHBondContact CB-O 3.42Å; S82-V143 WeakPolarHBondContact O-CG1 3.45Å; K84-V143 HydrophobicContact CB-CB 4.18Å; K84-V143 HydrophobicContact CB-CG1 4.39Å; K84-V143 HydrophobicContact CB-CG2 4.26Å; L87-V143 HydrophobicContact CD2-CG1 4.26Å; L87-V143 HydrophobicContact CD2-CG2 4.05Å; I141-V143 HydrophobicContact CG2-CG2 3.91Å; V143-V176 WeakPolarHBondContact CA-O 3.47Å; V143-V176 HydrophobicContact CG1-CB 4.49Å; V143-V176 HydrophobicContact CG1-CG1 4.42Å; V143-T178 HydrophobicContact CG1-CG2 3.71Å
144	F	96.5	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.6	171.7	73.8	-83.2	0	0	0	109.6	L146 S151 F152 V155 L175 V176 G177 T178 I190 A195 Y207	F144-L146 HydrophobicContact CE2-CD2 3.77Å; F144-L146 HydrophobicContact CE2-CG 4.35Å; F144-L146 HydrophobicContact CZ-CD2 4.11Å; F144-S151 WeakPolarHBondContact CB-OG 3.35Å; F144-F152 HydrophobicContact CD2-CB 3.99Å; F144-F152 AromaticContact CD2-CD2 3.7Å; F144-F152 HydrophobicContact CD2-CD2 3.7Å; F144-F152 HydrophobicContact CD2-CG 4.35Å; F144-F152 HydrophobicContact CE1-CD2 4.47Å; F144-F152 AromaticContact CE2-CD2 3.61Å; F144-F152 HydrophobicContact CE2-CD2 3.61Å; F144-F152 HydrophobicContact CE2-CE2 4.31Å; F144-F152 HydrophobicContact CG-CD2 4.21Å; F144-F152 HydrophobicContact CZ-CD2 4.02Å; F144-F152 HydrophobicContact CZ-CE2 4.36Å; F144-V155 HydrophobicContact CB-CG2 3.97Å; F144-L175 HydrophobicContact CD1-CD1 3.74Å; F144-L175 HydrophobicContact CD1-CG 4.32Å; F144-L175 HydrophobicContact CE1-CD1 3.75Å; F144-L175 HydrophobicContact CE1-CD2 4.15Å; F144-L175 HydrophobicContact CE1-CG 3.83Å; F144-V176 WeakPolarHBondContact CD1-O 3.27Å; F144-V176 WeakPolarHBondContact CE1-O 3.28Å; F144-V176 PolarHBondContact N-O 3.42Å; F144-G177 CarbonylContact O-C 3.48Å; F144-G177 VanDerWaalsContact O-CA 3.31Å; F144-G177 WeakPolarHBondContact O-CA 3.46Å; F144-T178 PolarHBondContact O-N 2.82Å; F144-T178 PolarHBondContact O-OG1 3.44Å; F144-I190 HydrophobicContact CE2-CB 4.21Å; F144-I190 HydrophobicContact CE2-CG1 4.25Å; F144-I190 HydrophobicContact CE2-CG2 3.84Å; F144-I190 HydrophobicContact CZ-CG2 4.43Å; F144-A195 HydrophobicContact CZ-CB 4.03Å; F144-Y207 HydrophobicContact CE1-CE2 4.02Å; F144-Y207 AromaticContact CZ-CE2 3.93Å; F144-Y207 HydrophobicContact CZ-CE2 3.93Å
145	S	95.6	Very high	94.4	Very high	2 Å²	2	28 Å²	28	1%	0.014	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.4	174	152.6	0	0	0	0	110.6	A81 E147 D148 S151 T178	A81-S145 WeakPolarHBondContact O-CB 3.43Å; S145-E147 PolarHBondContact O-N 2.79Å; S145-E147 VanDerWaalsContact OG-CG 3.3Å; S145-E147 WeakPolarHBondContact OG-CG 3.44Å; S145-E147 PolarHBondContact OG-N 3.37Å; S145-E147 PolarHBondContact OG-OE1 2.88Å; S145-E147 PolarHBondContact OG-OE2 2.91Å; S145-D148 PolarHBondContact OG-N 2.82Å; S145-S151 PolarHBondContact N-OG 3.14Å; S145-S151 PolarHBondContact O-OG 2.84Å; S145-T178 WeakPolarHBondContact CA-OG1 3.26Å
146	L	95.9	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-76.1	-11.1	179.2	-73	164.7	0	0	0	113.1	F144 T178 Q179 I182 R188 V189 I190 E209	F144-L146 HydrophobicContact CE2-CD2 3.77Å; F144-L146 HydrophobicContact CE2-CG 4.35Å; F144-L146 HydrophobicContact CZ-CD2 4.11Å; L146-T178 VanDerWaalsContact CB-O 3.31Å; L146-T178 WeakPolarHBondContact CB-O 3.41Å; L146-T178 WeakPolarHBondContact CD1-O 3.31Å; L146-T178 VanDerWaalsContact CG-O 3.32Å; L146-T178 WeakPolarHBondContact CG-O 3.35Å; L146-T178 PolarHBondContact N-O 2.81Å; L146-Q179 HydrophobicContact CD1-CG 3.53Å; L146-I182 HydrophobicContact CB-CD1 4.14Å; L146-R188 HydrophobicContact CB-CG 4.25Å; L146-V189 PolarHBondContact O-N 3.32Å; L146-I190 HydrophobicContact CD2-CB 4.05Å; L146-I190 HydrophobicContact CD2-CG2 4.28Å; L146-I190 PolarHBondContact O-N 2.7Å; L146-E209 HydrophobicContact CD1-CB 4.46Å; L146-E209 HydrophobicContact CD1-CG 4.04Å
147	E	94.1	Very high	94.9	Very high	17 Å²	17	29 Å²	29	8%	0.079	14%	0.139	C	C	.	.	S	Bend	trans	-104.5	-19.2	175.3	59.7	-70.9	163.4	0	0	113.7	S145 A181 I182 N186 V189	S145-E147 PolarHBondContact O-N 2.79Å; S145-E147 VanDerWaalsContact OG-CG 3.3Å; S145-E147 WeakPolarHBondContact OG-CG 3.44Å; S145-E147 PolarHBondContact OG-N 3.37Å; S145-E147 PolarHBondContact OG-OE1 2.88Å; S145-E147 PolarHBondContact OG-OE2 2.91Å; E147-A181 HydrophobicContact CG-CB 4.06Å; E147-A181 WeakPolarHBondContact OE1-CB 3.34Å; E147-A181 PolarHBondContact OE1-N 2.8Å; E147-I182 WeakPolarHBondContact OE2-CG1 3.43Å; E147-N186 WeakPolarHBondContact CG-ND2 3.49Å; E147-V189 VanDerWaalsContact O-CG2 3.32Å; E147-V189 WeakPolarHBondContact O-CG2 3.47Å
148	D	93.3	Very high	94.9	Very high	33 Å²	33	30 Å²	30	18%	0.176	14%	0.142	C	C	.	.			trans	-102	107	172.6	178.8	29.1	0	0	0	114.2	N79 S145 I150 S151 F152	N79-D148 PolarHBondContact ND2-OD2 3.31Å; S145-D148 PolarHBondContact OG-N 2.82Å; D148-I150 VanDerWaalsContact C-N 3.26Å; D148-I150 PolarHBondContact O-N 2.82Å; D148-I150 VanDerWaalsContact OD1-CB 3.28Å; D148-I150 WeakPolarHBondContact OD1-CB 3.42Å; D148-I150 PolarHBondContact OD1-N 3.19Å; D148-S151 PolarHBondContact O-N 2.76Å; D148-S151 PolarHBondContact O-OG 3.05Å; D148-S151 VanDerWaalsContact OD2-CB 3.24Å; D148-S151 WeakPolarHBondContact OD2-CB 3.47Å; D148-S151 PolarHBondContact OD2-N 2.72Å; D148-F152 PolarHBondContact O-N 3.07Å
149	E	94	Very high	94.9	Very high	57 Å²	57	30.3 Å²	30.3	27%	0.266	14%	0.141	S	C	.	.	H	α-helix	trans	-60.2	-29.9	172	178.8	67.1	-134.6	0	0	113.4	F152 Q153 V189 I190 R194	E149-F152 PolarHBondContact O-N 3.28Å; E149-Q153 WeakPolarHBondContact O-CG 3.35Å; E149-Q153 PolarHBondContact O-N 3.37Å; E149-Q153 VanDerWaalsContact O-N 3.1Å; E149-Q153 PolarHBondContact OE1-NE2 2.74Å; E149-V189 HydrophobicContact CB-CG2 4.23Å; E149-I190 VanDerWaalsContact OE2-CD1 3.31Å; E149-I190 WeakPolarHBondContact OE2-CD1 3.36Å; E149-R194 IonicContact OE1-CZ 3.32Å; E149-R194 IonicContact OE1-NH2 2.67Å; E149-R194 PolarHBondContact OE1-NH2 2.88Å; E149-R194 IonicContact OE2-CZ 2.84Å; E149-R194 IonicContact OE2-NH1 3.83Å; E149-R194 PolarHBondContact OE2-NH1 2.78Å; E149-R194 IonicContact OE2-NH2 3.36Å; E149-R194 PolarHBondContact OE2-NH2 2.8Å
150	I	94.9	Very high	94.8	Very high	115 Å²	115	33.4 Å²	33.4	59%	0.59	16%	0.163	S	C	*	.	H	α-helix	trans	-70	-42	179.8	-56.5	176.9	0	0	0	109.9	D148 F152 Q153 T154	D148-I150 VanDerWaalsContact C-N 3.26Å; D148-I150 PolarHBondContact O-N 2.82Å; D148-I150 VanDerWaalsContact OD1-CB 3.28Å; D148-I150 WeakPolarHBondContact OD1-CB 3.42Å; D148-I150 PolarHBondContact OD1-N 3.19Å; I150-F152 VanDerWaalsContact C-N 3.32Å; I150-F152 PolarHBondContact O-N 3.5Å; I150-Q153 PolarHBondContact O-N 3.17Å; I150-T154 WeakPolarHBondContact O-CB 3.32Å; I150-T154 PolarHBondContact O-N 3.48Å; I150-T154 PolarHBondContact O-OG1 2.99Å
151	S	94.6	Very high	94.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.9	-44.6	173.7	76.6	0	0	0	0	111.7	N79 F144 S145 D148 Q153 T154 V155	N79-S151 WeakPolarHBondContact ND2-CA 3.48Å; N79-S151 PolarHBondContact ND2-N 3.38Å; N79-S151 WeakPolarHBondContact OD1-CB 3.13Å; F144-S151 WeakPolarHBondContact CB-OG 3.35Å; S145-S151 PolarHBondContact N-OG 3.14Å; S145-S151 PolarHBondContact O-OG 2.84Å; D148-S151 PolarHBondContact O-N 2.76Å; D148-S151 PolarHBondContact O-OG 3.05Å; D148-S151 VanDerWaalsContact OD2-CB 3.24Å; D148-S151 WeakPolarHBondContact OD2-CB 3.47Å; D148-S151 PolarHBondContact OD2-N 2.72Å; S151-Q153 PolarHBondContact O-N 3.19Å; S151-T154 WeakPolarHBondContact O-CB 3.09Å; S151-T154 PolarHBondContact O-N 2.99Å; S151-V155 PolarHBondContact O-N 3.37Å
152	F	95.4	Very high	94.2	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.035	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-41.8	179.1	-179.2	-102.8	0	0	0	112.2	F144 D148 E149 I150 Y156 I190 R194 L198	F144-F152 HydrophobicContact CD2-CB 3.99Å; F144-F152 AromaticContact CD2-CD2 3.7Å; F144-F152 HydrophobicContact CD2-CD2 3.7Å; F144-F152 HydrophobicContact CD2-CG 4.35Å; F144-F152 HydrophobicContact CE1-CD2 4.47Å; F144-F152 AromaticContact CE2-CD2 3.61Å; F144-F152 HydrophobicContact CE2-CD2 3.61Å; F144-F152 HydrophobicContact CE2-CE2 4.31Å; F144-F152 HydrophobicContact CG-CD2 4.21Å; F144-F152 HydrophobicContact CZ-CD2 4.02Å; F144-F152 HydrophobicContact CZ-CE2 4.36Å; D148-F152 PolarHBondContact O-N 3.07Å; E149-F152 PolarHBondContact O-N 3.28Å; I150-F152 VanDerWaalsContact C-N 3.32Å; I150-F152 PolarHBondContact O-N 3.5Å; F152-Y156 HydrophobicContact CE1-CE2 4.01Å; F152-Y156 HydrophobicContact CZ-CE2 4.29Å; F152-I190 HydrophobicContact CB-CD1 3.7Å; F152-I190 HydrophobicContact CB-CG1 3.98Å; F152-I190 HydrophobicContact CD1-CD1 3.82Å; F152-I190 HydrophobicContact CD2-CD1 4.19Å; F152-I190 HydrophobicContact CD2-CG1 4.23Å; F152-I190 HydrophobicContact CD2-CG2 3.8Å; F152-I190 HydrophobicContact CE2-CG2 3.82Å; F152-I190 HydrophobicContact CG-CD1 3.63Å; F152-I190 HydrophobicContact CG-CG1 4.06Å; F152-I190 HydrophobicContact CG-CG2 4.34Å; F152-I190 HydrophobicContact CZ-CG2 4.4Å; F152-R194 HydrophobicContact CZ-CB 4.17Å; F152-L198 HydrophobicContact CD2-CD2 3.79Å; F152-L198 HydrophobicContact CE2-CB 3.9Å; F152-L198 HydrophobicContact CE2-CD2 3.44Å; F152-L198 VanDerWaalsContact CE2-CD2 3.44Å; F152-L198 HydrophobicContact CE2-CG 4.32Å; F152-L198 HydrophobicContact CZ-CB 3.95Å; F152-L198 HydrophobicContact CZ-CD2 4.07Å
153	Q	94.3	Very high	93.9	Very high	115 Å²	115	38.5 Å²	38.5	54%	0.537	19%	0.191	S	C	.	.	H	α-helix	trans	-71.1	-34.9	175.6	-67.5	-179.8	24.2	0	0	112.3	E149 I150 S151 V155 Y156	E149-Q153 WeakPolarHBondContact O-CG 3.35Å; E149-Q153 PolarHBondContact O-N 3.37Å; E149-Q153 VanDerWaalsContact O-N 3.1Å; E149-Q153 PolarHBondContact OE1-NE2 2.74Å; I150-Q153 PolarHBondContact O-N 3.17Å; S151-Q153 PolarHBondContact O-N 3.19Å; Q153-V155 VanDerWaalsContact C-N 3.27Å; Q153-V155 PolarHBondContact O-N 2.67Å; Q153-Y156 PolarHBondContact O-N 2.89Å
154	T	94.7	Very high	93.7	Very high	25 Å²	25	44.7 Å²	44.7	15%	0.153	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-35.7	178.7	-60.4	0	0	0	0	112	N79 I150 S151 Y156 H157 Y158	N79-T154 HydrophobicContact CB-CG2 4.41Å; I150-T154 WeakPolarHBondContact O-CB 3.32Å; I150-T154 PolarHBondContact O-N 3.48Å; I150-T154 PolarHBondContact O-OG1 2.99Å; S151-T154 WeakPolarHBondContact O-CB 3.09Å; S151-T154 PolarHBondContact O-N 2.99Å; T154-Y156 VanDerWaalsContact C-N 3.33Å; T154-Y156 PolarHBondContact O-N 3.37Å; T154-H157 WeakPolarHBondContact O-CB 3.31Å; T154-H157 PolarHBondContact O-N 3.49Å; T154-H157 VanDerWaalsContact O-N 3.1Å; T154-Y158 HydrophobicContact CG2-CD1 3.79Å; T154-Y158 HydrophobicContact CG2-CD2 3.96Å; T154-Y158 HydrophobicContact CG2-CE1 3.41Å; T154-Y158 VanDerWaalsContact CG2-CE1 3.41Å; T154-Y158 HydrophobicContact CG2-CE2 3.66Å; T154-Y158 HydrophobicContact CG2-CG 4.06Å; T154-Y158 PolarHBondContact O-N 2.75Å
155	V	95.1	Very high	93.4	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-40.4	176.3	172.9	0	0	0	0	112.6	F142 F144 S151 Q153 H157 Y158 Y159 L175 L198 L202	F142-V155 HydrophobicContact CB-CG1 3.73Å; F142-V155 HydrophobicContact CB-CG2 4.25Å; F142-V155 HydrophobicContact CD1-CG1 4.1Å; F142-V155 HydrophobicContact CG-CG1 3.92Å; F144-V155 HydrophobicContact CB-CG2 3.97Å; S151-V155 PolarHBondContact O-N 3.37Å; Q153-V155 VanDerWaalsContact C-N 3.27Å; Q153-V155 PolarHBondContact O-N 2.67Å; V155-H157 VanDerWaalsContact C-N 3.35Å; V155-H157 PolarHBondContact O-N 2.76Å; V155-Y158 PolarHBondContact O-N 3.39Å; V155-Y159 WeakPolarHBondContact O-CB 3.28Å; V155-Y159 PolarHBondContact O-N 2.88Å; V155-L175 HydrophobicContact CG1-CD1 4.03Å; V155-L198 HydrophobicContact CB-CD2 4.26Å; V155-L198 HydrophobicContact CG1-CD1 4.21Å; V155-L198 HydrophobicContact CG1-CD2 4.01Å; V155-L202 HydrophobicContact CG1-CD1 4Å
156	Y	92.1	Very high	93.1	Very high	87 Å²	87	52 Å²	52	34%	0.341	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-41.9	175.7	-72.3	-87.7	0	0	0	111.7	F152 Q153 T154 S160 L198	F152-Y156 HydrophobicContact CE1-CE2 4.01Å; F152-Y156 HydrophobicContact CZ-CE2 4.29Å; Q153-Y156 PolarHBondContact O-N 2.89Å; T154-Y156 VanDerWaalsContact C-N 3.33Å; T154-Y156 PolarHBondContact O-N 3.37Å; Y156-S160 WeakPolarHBondContact O-CB 3.39Å; Y156-S160 PolarHBondContact O-N 3.22Å; Y156-L198 HydrophobicContact CD1-CD1 3.91Å; Y156-L198 HydrophobicContact CD2-CD1 3.98Å; Y156-L198 HydrophobicContact CE1-CD1 3.58Å; Y156-L198 HydrophobicContact CE2-CB 4.48Å; Y156-L198 HydrophobicContact CE2-CD1 3.67Å; Y156-L198 HydrophobicContact CE2-CD2 4.39Å; Y156-L198 HydrophobicContact CE2-CG 4.38Å; Y156-L198 HydrophobicContact CG-CD1 4.1Å; Y156-L198 VanDerWaalsContact CZ-CD1 3.46Å
157	H	93.1	Very high	92.7	Very high	114 Å²	114	55.3 Å²	55.3	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-65	-44.8	177.7	-176.4	70.3	0	0	0	111.4	T154 V155 S160 R161	T154-H157 WeakPolarHBondContact O-CB 3.31Å; T154-H157 PolarHBondContact O-N 3.49Å; T154-H157 VanDerWaalsContact O-N 3.1Å; V155-H157 VanDerWaalsContact C-N 3.35Å; V155-H157 PolarHBondContact O-N 2.76Å; H157-S160 PolarHBondContact O-N 3.04Å; H157-R161 WeakPolarHBondContact O-CB 3.46Å; H157-R161 PolarHBondContact O-N 3.13Å
158	Y	94.4	Very high	92.3	Very high	22 Å²	22	54.9 Å²	54.9	9%	0.086	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-39.5	-179.6	-73.1	7.1	0	0	0	112.4	V77 G78 P128 P129 T154 V155 R161 M162	V77-Y158 HydrophobicContact CB-CD2 4.13Å; V77-Y158 HydrophobicContact CG1-CD2 3.33Å; V77-Y158 HydrophobicContact CG1-CE2 3.64Å; V77-Y158 HydrophobicContact CG1-CG 4.25Å; G78-Y158 WeakPolarHBondContact O-CE2 3.27Å; P128-Y158 HydrophobicContact CB-CD1 4.1Å; P128-Y158 HydrophobicContact CB-CE1 3.55Å; P129-Y158 HydrophobicContact CG-CG 4.35Å; T154-Y158 HydrophobicContact CG2-CD1 3.79Å; T154-Y158 HydrophobicContact CG2-CD2 3.96Å; T154-Y158 HydrophobicContact CG2-CE1 3.41Å; T154-Y158 VanDerWaalsContact CG2-CE1 3.41Å; T154-Y158 HydrophobicContact CG2-CE2 3.66Å; T154-Y158 HydrophobicContact CG2-CG 4.06Å; T154-Y158 PolarHBondContact O-N 2.75Å; V155-Y158 PolarHBondContact O-N 3.39Å; Y158-R161 PolarHBondContact O-N 2.75Å; Y158-M162 WeakPolarHBondContact O-CB 3.14Å; Y158-M162 PolarHBondContact O-N 2.68Å
159	Y	93.4	Very high	91.7	Very high	40 Å²	40	57.2 Å²	57.2	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-45	172.5	172.1	-106	0	0	0	112.2	F142 V155 M162 A163 T168 L173 L202	F142-Y159 HydrophobicContact CE2-CD2 4.17Å; F142-Y159 HydrophobicContact CZ-CD2 4.25Å; V155-Y159 WeakPolarHBondContact O-CB 3.28Å; V155-Y159 PolarHBondContact O-N 2.88Å; Y159-M162 PolarHBondContact O-N 2.83Å; Y159-A163 WeakPolarHBondContact O-CB 3.46Å; Y159-A163 PolarHBondContact O-N 2.97Å; Y159-T168 HydrophobicContact CD2-CG2 4.37Å; Y159-T168 HydrophobicContact CE2-CG2 3.88Å; Y159-T168 PolarHBondContact OH-OG1 3.02Å; Y159-L173 HydrophobicContact CD2-CD1 4.07Å; Y159-L173 HydrophobicContact CE2-CD1 3.7Å; Y159-L202 VanDerWaalsContact CB-CD2 3.48Å; Y159-L202 HydrophobicContact CD1-CD2 3.63Å; Y159-L202 HydrophobicContact CD2-CD2 3.47Å; Y159-L202 VanDerWaalsContact CD2-CD2 3.47Å; Y159-L202 HydrophobicContact CE1-CD2 4.2Å; Y159-L202 HydrophobicContact CE2-CD2 4.07Å; Y159-L202 HydrophobicContact CG-CD2 3.22Å
160	S	92.1	Very high	91.2	Very high	65 Å²	65	59 Å²	59	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-47.9	176.2	-176.2	0	0	0	0	111.6	Y156 H157 M162 A163 N164	Y156-S160 WeakPolarHBondContact O-CB 3.39Å; Y156-S160 PolarHBondContact O-N 3.22Å; H157-S160 PolarHBondContact O-N 3.04Å; S160-M162 VanDerWaalsContact C-N 3.34Å; S160-M162 PolarHBondContact O-N 2.87Å; S160-A163 PolarHBondContact O-N 2.83Å; S160-N164 PolarHBondContact O-N 2.95Å; S160-N164 PolarHBondContact O-ND2 2.87Å
161	R	92.1	Very high	91	Very high	65 Å²	65	53.9 Å²	53.9	25%	0.245	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-40.1	175.8	179.2	167.9	159.4	140.3	-8.5	112.3	P128 P129 H157 Y158 N164 Y165	P128-R161 PolarHBondContact O-NE 3.41Å; P128-R161 PolarHBondContact O-NH2 2.75Å; P129-R161 PolarHBondContact O-NE 3.12Å; H157-R161 WeakPolarHBondContact O-CB 3.46Å; H157-R161 PolarHBondContact O-N 3.13Å; Y158-R161 PolarHBondContact O-N 2.75Å; R161-N164 PolarHBondContact O-N 3.47Å; R161-Y165 HydrophobicContact CG-CE2 3.88Å; R161-Y165 VanDerWaalsContact O-CD2 3.25Å; R161-Y165 WeakPolarHBondContact O-CD2 3.21Å
162	M	90.3	Very high	91	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-41.2	174.4	175.4	160.2	-74	0	0	113	P129 F133 A134 V140 F142 Y158 Y159 S160 N164 Y165 R166 T168	P129-M162 HydrophobicContact CB-CE 4.17Å; F133-M162 HydrophobicContact CD1-CE 3.65Å; F133-M162 HydrophobicContact CE1-CE 3.51Å; A134-M162 HydrophobicContact CB-CE 4.11Å; A134-M162 HydrophobicContact CB-CG 4.47Å; V140-M162 HydrophobicContact CB-SD 4.42Å; V140-M162 HydrophobicContact CG1-SD 4.42Å; V140-M162 HydrophobicContact CG2-CE 3.9Å; V140-M162 HydrophobicContact CG2-SD 3.8Å; F142-M162 HydrophobicContact CZ-SD 4.47Å; Y158-M162 WeakPolarHBondContact O-CB 3.14Å; Y158-M162 PolarHBondContact O-N 2.68Å; Y159-M162 PolarHBondContact O-N 2.83Å; S160-M162 VanDerWaalsContact C-N 3.34Å; S160-M162 PolarHBondContact O-N 2.87Å; M162-N164 PolarHBondContact O-N 2.91Å; M162-Y165 PolarHBondContact O-N 2.86Å; M162-R166 PolarHBondContact O-N 2.86Å; M162-T168 HydrophobicContact CG-CG2 4.13Å
163	A	89.9	Confident	90.9	Very high	42 Å²	42	55.1 Å²	55.1	35%	0.347	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-26.2	179.1	0	0	0	0	0	113.2	Y159 S160 Y165 T168	Y159-A163 WeakPolarHBondContact O-CB 3.46Å; Y159-A163 PolarHBondContact O-N 2.97Å; S160-A163 PolarHBondContact O-N 2.83Å; A163-Y165 VanDerWaalsContact C-N 3.35Å; A163-T168 HydrophobicContact CB-CG2 4.15Å
164	N	92.4	Very high	91.1	Very high	130 Å²	130	49.7 Å²	49.7	70%	0.695	25%	0.252	S	S	*	.	H	α-helix	trans	-70.8	-26.8	172.6	-64.4	-27.7	0	0	0	113.3	S160 R161 M162	S160-N164 PolarHBondContact O-N 2.95Å; S160-N164 PolarHBondContact O-ND2 2.87Å; R161-N164 PolarHBondContact O-N 3.47Å; M162-N164 PolarHBondContact O-N 2.91Å
165	Y	90.4	Very high	91.2	Very high	102 Å²	102	48.5 Å²	48.5	40%	0.4	25%	0.245	S	C	.	.	H	α-helix	trans	-94.8	-34.1	-178.7	-62.3	-47.4	0	0	0	113.6	P129 A131 A134 R161 M162 A163	P129-Y165 WeakPolarHBondContact O-CE2 3.36Å; A131-Y165 HydrophobicContact CB-CD1 3.68Å; A131-Y165 HydrophobicContact CB-CD2 4.32Å; A131-Y165 HydrophobicContact CB-CE1 3.86Å; A131-Y165 HydrophobicContact CB-CE2 4.47Å; A131-Y165 HydrophobicContact CB-CG 3.94Å; A134-Y165 HydrophobicContact CB-CD2 4.43Å; R161-Y165 HydrophobicContact CG-CE2 3.88Å; R161-Y165 VanDerWaalsContact O-CD2 3.25Å; R161-Y165 WeakPolarHBondContact O-CD2 3.21Å; M162-Y165 PolarHBondContact O-N 2.86Å; A163-Y165 VanDerWaalsContact C-N 3.35Å
166	R	89.8	Confident	91.3	Very high	54 Å²	54	48.4 Å²	48.4	20%	0.204	25%	0.245	C	C	.	.	S	Bend	trans	-152.3	146.8	-179.4	-172.3	171.4	162.1	-154.8	-1.9	112.3	A134 M135 V137 M162 T168 I171	A134-R166 HydrophobicContact CB-CB 4.47Å; A134-R166 WeakPolarHBondContact O-CD 3.24Å; A134-R166 PolarHBondContact O-NH1 2.85Å; M135-R166 HydrophobicContact SD-CB 4.35Å; M135-R166 HydrophobicContact SD-CG 4.33Å; V137-R166 PolarHBondContact O-NH1 2.92Å; M162-R166 PolarHBondContact O-N 2.86Å; R166-T168 PolarHBondContact O-N 3.12Å; R166-I171 HydrophobicContact CB-CD1 4.34Å; R166-I171 HydrophobicContact CG-CD1 4.02Å
167	N	87.4	Confident	91.5	Very high	70 Å²	70	44.3 Å²	44.3	37%	0.374	23%	0.228	S	C	.	.			trans	-64.4	106.6	179.3	178.9	16.3	0	0	0	112.4	S169 E170	N167-S169 PolarHBondContact ND2-OG 2.96Å; N167-S169 PolarHBondContact O-N 3.48Å; N167-S169 PolarHBondContact OD1-N 2.92Å; N167-S169 PolarHBondContact OD1-OG 3.01Å; N167-S169 VanDerWaalsContact OD1-OG 3.06Å; N167-E170 WeakPolarHBondContact CB-OE1 3.17Å; N167-E170 PolarHBondContact ND2-OE1 2.94Å; N167-E170 PolarHBondContact O-N 3.33Å
168	T	83.9	Confident	91.7	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.043	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	8.1	-179.2	54.6	0	0	0	0	115.2	Y159 M162 A163 R166 K203	Y159-T168 HydrophobicContact CD2-CG2 4.37Å; Y159-T168 HydrophobicContact CE2-CG2 3.88Å; Y159-T168 PolarHBondContact OH-OG1 3.02Å; M162-T168 HydrophobicContact CG-CG2 4.13Å; A163-T168 HydrophobicContact CB-CG2 4.15Å; R166-T168 PolarHBondContact O-N 3.12Å; T168-K203 VanDerWaalsContact C-NZ 3.32Å; T168-K203 WeakPolarHBondContact OG1-CE 3.39Å; T168-K203 PolarHBondContact OG1-NZ 2.88Å
169	S	82.1	Confident	91.7	Very high	82 Å²	82	39.8 Å²	39.8	57%	0.573	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.6	165.5	65.2	0	0	0	0	113.9	N167 K203	N167-S169 PolarHBondContact ND2-OG 2.96Å; N167-S169 PolarHBondContact O-N 3.48Å; N167-S169 PolarHBondContact OD1-N 2.92Å; N167-S169 PolarHBondContact OD1-OG 3.01Å; N167-S169 VanDerWaalsContact OD1-OG 3.06Å; S169-K203 VanDerWaalsContact N-NZ 3.18Å
170	E	83.5	Confident	91.6	Very high	95 Å²	95	39 Å²	39	44%	0.444	21%	0.207	S	C	.	.	S	Bend	trans	-98	-7.7	178.9	-68.1	160.8	-142.1	0	0	112.8	N167	N167-E170 WeakPolarHBondContact CB-OE1 3.17Å; N167-E170 PolarHBondContact ND2-OE1 2.94Å; N167-E170 PolarHBondContact O-N 3.33Å
171	I	90.6	Very high	91.3	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.041	20%	0.202	C	C	.	.	S	Bend	trans	-117	124.2	-175.5	-51.9	175.5	0	0	0	107.5	V140 R166 L173	V140-I171 HydrophobicContact CG2-CG2 4.15Å; R166-I171 HydrophobicContact CB-CD1 4.34Å; R166-I171 HydrophobicContact CG-CD1 4.02Å; I171-L173 HydrophobicContact CB-CD2 4.46Å; I171-L173 HydrophobicContact CG2-CD2 4.1Å; I171-L173 PolarHBondContact O-N 3.08Å
172	P	93.5	Very high	91.2	Very high	20 Å²	20	37.9 Å²	37.9	13%	0.13	21%	0.206	C	C	.	.			trans	-65	129.7	168.1	-19.9	33.7	0	0	0	110.9	D138 A139 V140 K228	D138-P172 WeakPolarHBondContact O-CD 3.3Å; A139-P172 WeakPolarHBondContact CA-O 3.16Å; A139-P172 HydrophobicContact CB-CB 4.05Å; A139-P172 HydrophobicContact CB-CG 4.26Å; A139-P172 WeakPolarHBondContact CB-O 3.35Å; V140-P172 PolarHBondContact N-O 3.32Å; P172-K228 HydrophobicContact CB-CB 3.67Å; P172-K228 HydrophobicContact CB-CD 4.2Å; P172-K228 HydrophobicContact CB-CG 4.48Å; P172-K228 HydrophobicContact CG-CB 3.9Å
173	L	94.8	Very high	91.1	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	146.6	175.4	-53.1	-178.3	0	0	0	110	V140 F142 Y159 I171 C205	V140-L173 HydrophobicContact CB-CD2 4.02Å; V140-L173 WeakPolarHBondContact O-CA 3.44Å; F142-L173 HydrophobicContact CE2-CD1 4.34Å; F142-L173 HydrophobicContact CE2-CD2 4.11Å; Y159-L173 HydrophobicContact CD2-CD1 4.07Å; Y159-L173 HydrophobicContact CE2-CD1 3.7Å; I171-L173 HydrophobicContact CB-CD2 4.46Å; I171-L173 HydrophobicContact CG2-CD2 4.1Å; I171-L173 PolarHBondContact O-N 3.08Å; L173-C205 HydrophobicContact CB-CB 3.95Å; L173-C205 WeakPolarHBondContact O-CB 3.39Å
174	V	96.6	Very high	90.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.6	169.2	180	0	0	0	0	108.6	V140 I141 F142 V176 Y208 V221 V225	V140-V174 PolarHBondContact O-N 2.97Å; I141-V174 WeakPolarHBondContact CA-O 3.33Å; F142-V174 PolarHBondContact N-O 3.38Å; V174-V176 HydrophobicContact CG1-CG2 4.31Å; V174-Y208 HydrophobicContact CG1-CD2 3.77Å; V174-Y208 HydrophobicContact CG1-CE2 4.03Å; V174-V221 HydrophobicContact CG1-CG1 4.24Å; V174-V225 HydrophobicContact CB-CG2 4.04Å; V174-V225 HydrophobicContact CG2-CG2 3.49Å; V174-V225 VanDerWaalsContact CG2-CG2 3.49Å
175	L	97.4	Very high	90.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.3	176.6	179.4	69.4	0	0	0	109.5	F142 F144 V155 L198 L202 C205 T206 Y207 Y208	F142-L175 HydrophobicContact CB-CD1 4.06Å; F144-L175 HydrophobicContact CD1-CD1 3.74Å; F144-L175 HydrophobicContact CD1-CG 4.32Å; F144-L175 HydrophobicContact CE1-CD1 3.75Å; F144-L175 HydrophobicContact CE1-CD2 4.15Å; F144-L175 HydrophobicContact CE1-CG 3.83Å; V155-L175 HydrophobicContact CG1-CD1 4.03Å; L175-L198 HydrophobicContact CD1-CD2 3.83Å; L175-L198 HydrophobicContact CD1-CG 4.28Å; L175-L198 HydrophobicContact CD2-CB 4.18Å; L175-L198 HydrophobicContact CD2-CD2 3.89Å; L175-L198 HydrophobicContact CD2-CG 3.76Å; L175-L202 HydrophobicContact CB-CD1 4.33Å; L175-L202 HydrophobicContact CD1-CD1 3.89Å; L175-L202 HydrophobicContact CD2-CD1 4.31Å; L175-L202 HydrophobicContact CG-CD1 4.4Å; L175-C205 VanDerWaalsContact CB-SG 3.58Å; L175-T206 PolarHBondContact N-O 2.94Å; L175-Y207 HydrophobicContact CB-CD2 4.39Å; L175-Y207 HydrophobicContact CD2-CD2 3.88Å; L175-Y207 HydrophobicContact CG-CD2 3.97Å; L175-Y207 WeakPolarHBondContact O-CA 3.14Å; L175-Y208 PolarHBondContact O-N 2.84Å
176	V	97.9	Very high	90.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.5	-178.1	178.5	0	0	0	0	110.3	L87 I141 F142 V143 F144 V174 T178 Y208 T210 V221	L87-V176 HydrophobicContact CD2-CG1 3.93Å; I141-V176 HydrophobicContact CG2-CB 4.29Å; I141-V176 HydrophobicContact CG2-CG2 3.55Å; F142-V176 PolarHBondContact O-N 2.95Å; V143-V176 WeakPolarHBondContact CA-O 3.47Å; V143-V176 HydrophobicContact CG1-CB 4.49Å; V143-V176 HydrophobicContact CG1-CG1 4.42Å; F144-V176 WeakPolarHBondContact CD1-O 3.27Å; F144-V176 WeakPolarHBondContact CE1-O 3.28Å; F144-V176 PolarHBondContact N-O 3.42Å; V174-V176 HydrophobicContact CG1-CG2 4.31Å; V176-T178 HydrophobicContact CG1-CG2 4.43Å; V176-Y208 WeakPolarHBondContact CA-O 3.19Å; V176-T210 HydrophobicContact CG1-CG2 3.74Å; V176-T210 WeakPolarHBondContact CG1-OG1 3.38Å; V176-V221 HydrophobicContact CG2-CG1 3.78Å; V176-V221 HydrophobicContact CG2-CG2 4.01Å
177	G	96.9	Very high	90.3	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117	165.9	0	0	0	0	0	110	F144 Y208 E209 T210	F144-G177 CarbonylContact O-C 3.48Å; F144-G177 VanDerWaalsContact O-CA 3.31Å; F144-G177 WeakPolarHBondContact O-CA 3.46Å; G177-Y208 PolarHBondContact N-O 2.7Å; G177-E209 CarbonylContact O-C 3.55Å; G177-E209 VanDerWaalsContact O-CA 3.29Å; G177-E209 WeakPolarHBondContact O-CA 3.24Å; G177-T210 PolarHBondContact O-N 3.2Å
178	T	96	Very high	90.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	148.4	174	57.2	0	0	0	0	111	S82 V143 F144 S145 L146 V176 T210	S82-T178 WeakPolarHBondContact O-CG2 3.44Å; S82-T178 PolarHBondContact O-OG1 2.87Å; V143-T178 HydrophobicContact CG1-CG2 3.71Å; F144-T178 PolarHBondContact O-N 2.82Å; F144-T178 PolarHBondContact O-OG1 3.44Å; S145-T178 WeakPolarHBondContact CA-OG1 3.26Å; L146-T178 VanDerWaalsContact CB-O 3.31Å; L146-T178 WeakPolarHBondContact CB-O 3.41Å; L146-T178 WeakPolarHBondContact CD1-O 3.31Å; L146-T178 VanDerWaalsContact CG-O 3.32Å; L146-T178 WeakPolarHBondContact CG-O 3.35Å; L146-T178 PolarHBondContact N-O 2.81Å; V176-T178 HydrophobicContact CG1-CG2 4.43Å; T178-T210 CarbonylContact C-O 3.5Å; T178-T210 WeakPolarHBondContact CA-O 3.14Å
179	Q	94.8	Very high	91.2	Very high	41 Å²	41	47.7 Å²	47.7	19%	0.192	28%	0.282	C	S	.	.			trans	-111.7	11.8	178.6	-65.3	-178.3	-5	0	0	112.1	L146 A181 I182 E209 T210 C211 Y214	L146-Q179 HydrophobicContact CD1-CG 3.53Å; Q179-A181 PolarHBondContact O-N 3.41Å; Q179-I182 HydrophobicContact CB-CD1 3.7Å; Q179-I182 HydrophobicContact CB-CG1 4.27Å; Q179-I182 HydrophobicContact CG-CD1 3.81Å; Q179-I182 WeakPolarHBondContact O-CG1 3.48Å; Q179-I182 PolarHBondContact O-N 2.98Å; Q179-E209 PolarHBondContact NE2-OE2 3.41Å; Q179-T210 PolarHBondContact N-O 2.91Å; Q179-C211 HydrophobicContact CB-CB 4.22Å; Q179-Y214 PolarHBondContact OE1-OH 2.87Å; Q179-Y214 VanDerWaalsContact OE1-OH 3.1Å
180	D	90.2	Very high	91.8	Very high	22 Å²	22	43.8 Å²	43.8	12%	0.118	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.8	-158.3	-76.6	-69.2	0	0	0	115.2	Y96 C211 A212 T213	Y96-D180 HydrophobicContact CE2-CB 4.41Å; D180-C211 PolarHBondContact OD1-SG 3.38Å; D180-C211 WeakPolarHBondContact OD2-CA 3.14Å; D180-A212 WeakPolarHBondContact OD1-CA 3.37Å; D180-A212 PolarHBondContact OD1-N 2.82Å; D180-A212 PolarHBondContact OD2-N 3.44Å; D180-T213 PolarHBondContact OD1-N 3.42Å; D180-T213 PolarHBondContact OD1-OG1 3.49Å
181	A	86.6	Confident	92.3	Very high	42 Å²	42	42.9 Å²	42.9	35%	0.347	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	7.1	170	0	0	0	0	0	114	E147 Q179 S183	E147-A181 HydrophobicContact CG-CB 4.06Å; E147-A181 WeakPolarHBondContact OE1-CB 3.34Å; E147-A181 PolarHBondContact OE1-N 2.8Å; Q179-A181 PolarHBondContact O-N 3.41Å; A181-S183 PolarHBondContact O-N 3.33Å; A181-S183 PolarHBondContact O-OG 3.32Å
182	I	89.3	Confident	92.4	Very high	65 Å²	65	45.1 Å²	45.1	33%	0.333	27%	0.265	S	S	.	.			trans	-62.9	122	175.8	-58	-178.3	0	0	0	109.7	L146 E147 Q179 N186 R188	L146-I182 HydrophobicContact CB-CD1 4.14Å; E147-I182 WeakPolarHBondContact OE2-CG1 3.43Å; Q179-I182 HydrophobicContact CB-CD1 3.7Å; Q179-I182 HydrophobicContact CB-CG1 4.27Å; Q179-I182 HydrophobicContact CG-CD1 3.81Å; Q179-I182 WeakPolarHBondContact O-CG1 3.48Å; Q179-I182 PolarHBondContact O-N 2.98Å; I182-N186 WeakPolarHBondContact CA-O 3.49Å; I182-R188 HydrophobicContact CD1-CB 4.22Å
183	S	88.3	Confident	92.4	Very high	51 Å²	51	49.6 Å²	49.6	36%	0.357	29%	0.292	S	S	.	.	S	Bend	trans	-152.2	175.1	-177.9	55.6	0	0	0	0	111.2	A181 T185 N186	A181-S183 PolarHBondContact O-N 3.33Å; A181-S183 PolarHBondContact O-OG 3.32Å; S183-T185 PolarHBondContact O-N 2.99Å; S183-T185 PolarHBondContact OG-OG1 2.93Å; S183-N186 PolarHBondContact N-O 2.83Å; S183-N186 CarbonylContact O-C 3.56Å; S183-N186 VanDerWaalsContact O-C 3.28Å; S183-N186 PolarHBondContact O-N 2.83Å; S183-N186 VanDerWaalsContact O-O 3.11Å; S183-N186 WeakPolarHBondContact OG-CB 3.42Å; S183-N186 PolarHBondContact OG-N 3.1Å; S183-N186 VanDerWaalsContact OG-N 3.08Å
184	S	84.4	Confident	92.4	Very high	129 Å²	129	52.7 Å²	52.7	90%	0.902	30%	0.303	S	S	*	.	S	Bend	trans	-64.4	-22.2	173	49.7	0	0	0	0	113.3
185	T	84.9	Confident	92.3	Very high	127 Å²	127	52.6 Å²	52.6	78%	0.779	30%	0.302	S	S	*	.	S	Bend	trans	-97	-16	176.1	44.9	0	0	0	0	113.6	S183	S183-T185 PolarHBondContact O-N 2.99Å; S183-T185 PolarHBondContact OG-OG1 2.93Å
186	N	86.4	Confident	92.1	Very high	65 Å²	65	59.1 Å²	59.1	35%	0.348	33%	0.327	S	S	.	.	S	Bend	trans	-135	86.6	176.9	-166.1	19.6	0	0	0	110.2	E147 I182 S183	E147-N186 WeakPolarHBondContact CG-ND2 3.49Å; I182-N186 WeakPolarHBondContact CA-O 3.49Å; S183-N186 PolarHBondContact N-O 2.83Å; S183-N186 CarbonylContact O-C 3.56Å; S183-N186 VanDerWaalsContact O-C 3.28Å; S183-N186 PolarHBondContact O-N 2.83Å; S183-N186 VanDerWaalsContact O-O 3.11Å; S183-N186 WeakPolarHBondContact OG-CB 3.42Å; S183-N186 PolarHBondContact OG-N 3.1Å; S183-N186 VanDerWaalsContact OG-N 3.08Å
187	P	90.8	Very high	92	Very high	84 Å²	84	65.2 Å²	65.2	55%	0.545	35%	0.354	S	S	.	.			trans	-79.7	153.3	-174.1	32.5	-35.5	0	0	0	112.6	V189	P187-V189 WeakPolarHBondContact O-CG1 3.39Å; P187-V189 PolarHBondContact O-N 2.74Å
188	R	94.4	Very high	91.8	Very high	88 Å²	88	65.2 Å²	65.2	33%	0.332	35%	0.354	S	S	.	.			trans	-56.5	127	174	177.4	170.6	178.5	152.7	6.2	112.2	L146 I182 I190 E209	L146-R188 HydrophobicContact CB-CG 4.25Å; I182-R188 HydrophobicContact CD1-CB 4.22Å; R188-I190 PolarHBondContact NE-O 3.17Å; R188-I190 PolarHBondContact NH2-O 2.76Å; R188-I190 VanDerWaalsContact NH2-O 3.09Å; R188-E209 IonicContact CZ-OE1 2.76Å; R188-E209 IonicContact CZ-OE2 3.4Å; R188-E209 VanDerWaalsContact NH1-CD 3.31Å; R188-E209 IonicContact NH1-OE1 3.61Å; R188-E209 PolarHBondContact NH1-OE1 3Å; R188-E209 IonicContact NH1-OE2 2.8Å; R188-E209 PolarHBondContact NH1-OE2 3.18Å; R188-E209 IonicContact NH2-OE1 2.7Å; R188-E209 PolarHBondContact NH2-OE1 3.22Å; R188-E209 IonicContact NH2-OE2 3.91Å
189	V	94.9	Very high	91.7	Very high	67 Å²	67	65.7 Å²	65.7	41%	0.406	36%	0.357	S	S	.	.			trans	-109	-22.6	178.5	-52.5	0	0	0	0	113.6	L146 E147 E149 P187 R194	L146-V189 PolarHBondContact O-N 3.32Å; E147-V189 VanDerWaalsContact O-CG2 3.32Å; E147-V189 WeakPolarHBondContact O-CG2 3.47Å; E149-V189 HydrophobicContact CB-CG2 4.23Å; P187-V189 WeakPolarHBondContact O-CG1 3.39Å; P187-V189 PolarHBondContact O-N 2.74Å; V189-R194 PolarHBondContact O-NH1 2.88Å
190	I	95.6	Very high	91.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.366	C	S	.	.	S	Bend	trans	-99.1	109.7	177.4	-51.5	-57.3	0	0	0	110.4	F144 L146 E149 F152 R188 R194 A195	F144-I190 HydrophobicContact CE2-CB 4.21Å; F144-I190 HydrophobicContact CE2-CG1 4.25Å; F144-I190 HydrophobicContact CE2-CG2 3.84Å; F144-I190 HydrophobicContact CZ-CG2 4.43Å; L146-I190 HydrophobicContact CD2-CB 4.05Å; L146-I190 HydrophobicContact CD2-CG2 4.28Å; L146-I190 PolarHBondContact O-N 2.7Å; E149-I190 VanDerWaalsContact OE2-CD1 3.31Å; E149-I190 WeakPolarHBondContact OE2-CD1 3.36Å; F152-I190 HydrophobicContact CB-CD1 3.7Å; F152-I190 HydrophobicContact CB-CG1 3.98Å; F152-I190 HydrophobicContact CD1-CD1 3.82Å; F152-I190 HydrophobicContact CD2-CD1 4.19Å; F152-I190 HydrophobicContact CD2-CG1 4.23Å; F152-I190 HydrophobicContact CD2-CG2 3.8Å; F152-I190 HydrophobicContact CE2-CG2 3.82Å; F152-I190 HydrophobicContact CG-CD1 3.63Å; F152-I190 HydrophobicContact CG-CG1 4.06Å; F152-I190 HydrophobicContact CG-CG2 4.34Å; F152-I190 HydrophobicContact CZ-CG2 4.4Å; R188-I190 PolarHBondContact NE-O 3.17Å; R188-I190 PolarHBondContact NH2-O 2.76Å; R188-I190 VanDerWaalsContact NH2-O 3.09Å; I190-R194 HydrophobicContact CG2-CB 4.21Å; I190-A195 HydrophobicContact CG2-CB 4.33Å
191	D	93.1	Very high	91.5	Very high	77 Å²	77	70 Å²	70	41%	0.412	38%	0.381	S	S	.	.			trans	-74.3	164.1	173.1	71.4	49.6	0	0	0	113.2	V193 R194 A195	D191-V193 VanDerWaalsContact C-N 3.25Å; D191-V193 PolarHBondContact O-N 2.8Å; D191-V193 VanDerWaalsContact OD1-CA 3.31Å; D191-V193 WeakPolarHBondContact OD1-CA 3.42Å; D191-V193 VanDerWaalsContact OD1-CB 3.27Å; D191-V193 WeakPolarHBondContact OD1-CB 3.11Å; D191-V193 PolarHBondContact OD1-N 2.74Å; D191-R194 PolarHBondContact O-N 3.37Å; D191-R194 WeakPolarHBondContact OD1-CG 3.43Å; D191-R194 PolarHBondContact OD1-N 3.09Å; D191-A195 PolarHBondContact O-N 3.41Å; D191-A195 VanDerWaalsContact O-N 3.08Å
192	D	93.3	Very high	91.6	Very high	55 Å²	55	68.1 Å²	68.1	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-27.5	178.9	175.4	68	0	0	0	113.1	R196	D192-R196 VanDerWaalsContact CG-NE 3.27Å; D192-R196 WeakPolarHBondContact O-CB 3.19Å; D192-R196 VanDerWaalsContact O-CG 3.29Å; D192-R196 WeakPolarHBondContact O-CG 3.17Å; D192-R196 PolarHBondContact O-N 3.26Å; D192-R196 IonicContact OD1-CZ 3.24Å; D192-R196 IonicContact OD1-NE 3.16Å; D192-R196 PolarHBondContact OD1-NE 3.26Å; D192-R196 VanDerWaalsContact OD1-NE 3.1Å; D192-R196 IonicContact OD1-NH2 2.75Å; D192-R196 PolarHBondContact OD1-NH2 3.41Å; D192-R196 IonicContact OD2-CZ 3.74Å; D192-R196 IonicContact OD2-NE 2.67Å; D192-R196 PolarHBondContact OD2-NE 2.84Å; D192-R196 IonicContact OD2-NH2 3.74Å; D192-R196 PolarHBondContact OD2-NH2 2.92Å
193	V	94.2	Very high	91.3	Very high	113 Å²	113	69.9 Å²	69.9	69%	0.685	37%	0.37	S	S	*	.	H	α-helix	trans	-71.8	-44.4	179.3	-175.5	0	0	0	0	110.2	D191 K197	D191-V193 VanDerWaalsContact C-N 3.25Å; D191-V193 PolarHBondContact O-N 2.8Å; D191-V193 VanDerWaalsContact OD1-CA 3.31Å; D191-V193 WeakPolarHBondContact OD1-CA 3.42Å; D191-V193 VanDerWaalsContact OD1-CB 3.27Å; D191-V193 WeakPolarHBondContact OD1-CB 3.11Å; D191-V193 PolarHBondContact OD1-N 2.74Å; V193-K197 WeakPolarHBondContact O-CB 3.23Å; V193-K197 PolarHBondContact O-N 2.98Å
194	R	95.2	Very high	91.1	Very high	78 Å²	78	76.9 Å²	76.9	29%	0.294	39%	0.389	S	S	.	.	H	α-helix	trans	-62	-44.6	173	-68	-179.7	65.1	-168	-1.2	111.3	E149 F152 V189 I190 D191 K197 L198	E149-R194 IonicContact OE1-CZ 3.32Å; E149-R194 IonicContact OE1-NH2 2.67Å; E149-R194 PolarHBondContact OE1-NH2 2.88Å; E149-R194 IonicContact OE2-CZ 2.84Å; E149-R194 IonicContact OE2-NH1 3.83Å; E149-R194 PolarHBondContact OE2-NH1 2.78Å; E149-R194 IonicContact OE2-NH2 3.36Å; E149-R194 PolarHBondContact OE2-NH2 2.8Å; F152-R194 HydrophobicContact CZ-CB 4.17Å; V189-R194 PolarHBondContact O-NH1 2.88Å; I190-R194 HydrophobicContact CG2-CB 4.21Å; D191-R194 PolarHBondContact O-N 3.37Å; D191-R194 WeakPolarHBondContact OD1-CG 3.43Å; D191-R194 PolarHBondContact OD1-N 3.09Å; R194-K197 WeakPolarHBondContact O-CB 3.38Å; R194-K197 PolarHBondContact O-N 2.76Å; R194-L198 PolarHBondContact O-N 2.82Å
195	A	93.7	Very high	91.4	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-66	-44.2	179.1	0	0	0	0	0	112.9	F144 I190 D191 K197 L198 S199 Y207	F144-A195 HydrophobicContact CZ-CB 4.03Å; I190-A195 HydrophobicContact CG2-CB 4.33Å; D191-A195 PolarHBondContact O-N 3.41Å; D191-A195 VanDerWaalsContact O-N 3.08Å; A195-K197 VanDerWaalsContact C-N 3.31Å; A195-K197 PolarHBondContact O-N 3.23Å; A195-L198 PolarHBondContact O-N 2.85Å; A195-S199 PolarHBondContact O-N 3.03Å; A195-Y207 HydrophobicContact CB-CD1 4.37Å; A195-Y207 HydrophobicContact CB-CD2 4.36Å; A195-Y207 HydrophobicContact CB-CE1 3.71Å; A195-Y207 HydrophobicContact CB-CE2 3.69Å; A195-Y207 VanDerWaalsContact CB-OH 3.32Å; A195-Y207 WeakPolarHBondContact CB-OH 3.27Å
196	R	93.9	Very high	91.8	Very high	136 Å²	136	67.5 Å²	67.5	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-67	-27.9	172.3	-70.6	-173	-146.7	-89.9	-3.3	113.2	D192 N200 Y207	D192-R196 VanDerWaalsContact CG-NE 3.27Å; D192-R196 WeakPolarHBondContact O-CB 3.19Å; D192-R196 VanDerWaalsContact O-CG 3.29Å; D192-R196 WeakPolarHBondContact O-CG 3.17Å; D192-R196 PolarHBondContact O-N 3.26Å; D192-R196 IonicContact OD1-CZ 3.24Å; D192-R196 IonicContact OD1-NE 3.16Å; D192-R196 PolarHBondContact OD1-NE 3.26Å; D192-R196 VanDerWaalsContact OD1-NE 3.1Å; D192-R196 IonicContact OD1-NH2 2.75Å; D192-R196 PolarHBondContact OD1-NH2 3.41Å; D192-R196 IonicContact OD2-CZ 3.74Å; D192-R196 IonicContact OD2-NE 2.67Å; D192-R196 PolarHBondContact OD2-NE 2.84Å; D192-R196 IonicContact OD2-NH2 3.74Å; D192-R196 PolarHBondContact OD2-NH2 2.92Å; R196-N200 PolarHBondContact O-N 2.87Å; R196-N200 VanDerWaalsContact O-N 3.08Å; R196-N200 PolarHBondContact O-ND2 3.36Å; R196-Y207 HydrophobicContact CG-CD1 4.23Å
197	K	94.4	Very high	92.3	Very high	129 Å²	129	66 Å²	66	56%	0.561	32%	0.316	S	S	*	.	H	α-helix	trans	-64	-53.9	170.9	-173.8	-170.3	169.1	-169.7	0	110	V193 R194 A195 S199 N200 D201	V193-K197 WeakPolarHBondContact O-CB 3.23Å; V193-K197 PolarHBondContact O-N 2.98Å; R194-K197 WeakPolarHBondContact O-CB 3.38Å; R194-K197 PolarHBondContact O-N 2.76Å; A195-K197 VanDerWaalsContact C-N 3.31Å; A195-K197 PolarHBondContact O-N 3.23Å; K197-S199 VanDerWaalsContact C-N 3.25Å; K197-S199 PolarHBondContact O-N 3.48Å; K197-N200 PolarHBondContact O-N 3.34Å; K197-D201 WeakPolarHBondContact CE-OD2 3.45Å; K197-D201 PolarHBondContact O-N 2.94Å
198	L	93	Very high	92.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-53.1	-44.2	174.9	171.2	59.4	0	0	0	111.1	F152 V155 Y156 L175 R194 A195 N200 D201 L202	F152-L198 HydrophobicContact CD2-CD2 3.79Å; F152-L198 HydrophobicContact CE2-CB 3.9Å; F152-L198 HydrophobicContact CE2-CD2 3.44Å; F152-L198 VanDerWaalsContact CE2-CD2 3.44Å; F152-L198 HydrophobicContact CE2-CG 4.32Å; F152-L198 HydrophobicContact CZ-CB 3.95Å; F152-L198 HydrophobicContact CZ-CD2 4.07Å; V155-L198 HydrophobicContact CB-CD2 4.26Å; V155-L198 HydrophobicContact CG1-CD1 4.21Å; V155-L198 HydrophobicContact CG1-CD2 4.01Å; Y156-L198 HydrophobicContact CD1-CD1 3.91Å; Y156-L198 HydrophobicContact CD2-CD1 3.98Å; Y156-L198 HydrophobicContact CE1-CD1 3.58Å; Y156-L198 HydrophobicContact CE2-CB 4.48Å; Y156-L198 HydrophobicContact CE2-CD1 3.67Å; Y156-L198 HydrophobicContact CE2-CD2 4.39Å; Y156-L198 HydrophobicContact CE2-CG 4.38Å; Y156-L198 HydrophobicContact CG-CD1 4.1Å; Y156-L198 VanDerWaalsContact CZ-CD1 3.46Å; L175-L198 HydrophobicContact CD1-CD2 3.83Å; L175-L198 HydrophobicContact CD1-CG 4.28Å; L175-L198 HydrophobicContact CD2-CB 4.18Å; L175-L198 HydrophobicContact CD2-CD2 3.89Å; L175-L198 HydrophobicContact CD2-CG 3.76Å; R194-L198 PolarHBondContact O-N 2.82Å; A195-L198 PolarHBondContact O-N 2.85Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 2.94Å; L198-D201 PolarHBondContact O-N 3.3Å; L198-L202 HydrophobicContact CD1-CD1 3.72Å; L198-L202 HydrophobicContact CD1-CD2 4.22Å; L198-L202 HydrophobicContact CD1-CG 3.7Å; L198-L202 HydrophobicContact CG-CD1 3.87Å; L198-L202 HydrophobicContact CG-CG 4.26Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 VanDerWaalsContact O-CG 3.24Å; L198-L202 WeakPolarHBondContact O-CG 3.36Å; L198-L202 PolarHBondContact O-N 3.19Å
199	S	93.5	Very high	92.8	Very high	11 Å²	11	61.9 Å²	61.9	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-32.4	178.5	114.1	0	0	0	0	113.6	A195 K197 R204 C205	A195-S199 PolarHBondContact O-N 3.03Å; K197-S199 VanDerWaalsContact C-N 3.25Å; K197-S199 PolarHBondContact O-N 3.48Å; S199-R204 CarbonylContact O-C 3.49Å; S199-R204 WeakPolarHBondContact O-CA 3.44Å; S199-R204 PolarHBondContact O-N 3.5Å; S199-R204 VanDerWaalsContact O-N 3.13Å; S199-C205 PolarHBondContact O-N 2.96Å; S199-C205 PolarHBondContact OG-O 2.87Å; S199-C205 VanDerWaalsContact OG-O 3.1Å
200	N	92.3	Very high	92.8	Very high	71 Å²	71	58.7 Å²	58.7	38%	0.38	27%	0.273	S	S	.	.	H	α-helix	trans	-71.1	-43.9	171.9	-82.3	-85.5	0	0	0	112	R196 K197 L198 L202 K203 R204	R196-N200 PolarHBondContact O-N 2.87Å; R196-N200 VanDerWaalsContact O-N 3.08Å; R196-N200 PolarHBondContact O-ND2 3.36Å; K197-N200 PolarHBondContact O-N 3.34Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 2.94Å; N200-L202 VanDerWaalsContact C-N 3.28Å; N200-L202 PolarHBondContact O-N 2.93Å; N200-K203 PolarHBondContact O-N 3.32Å; N200-R204 PolarHBondContact O-N 2.86Å; N200-R204 PolarHBondContact OD1-NE 3.25Å; N200-R204 VanDerWaalsContact OD1-NE 3.13Å
201	D	89.8	Confident	92.8	Very high	83 Å²	83	58.9 Å²	58.9	44%	0.444	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-35.1	178.4	-64.6	-20.8	0	0	0	111.2	K197 L198 K203	K197-D201 WeakPolarHBondContact CE-OD2 3.45Å; K197-D201 PolarHBondContact O-N 2.94Å; L198-D201 PolarHBondContact O-N 3.3Å; D201-K203 PolarHBondContact O-N 2.93Å
202	L	88.4	Confident	92.7	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	46.3	169.7	-65	176.7	0	0	0	113.4	F142 V155 Y159 L175 L198 N200 R204 C205	F142-L202 HydrophobicContact CD2-CD1 4.41Å; V155-L202 HydrophobicContact CG1-CD1 4Å; Y159-L202 VanDerWaalsContact CB-CD2 3.48Å; Y159-L202 HydrophobicContact CD1-CD2 3.63Å; Y159-L202 HydrophobicContact CD2-CD2 3.47Å; Y159-L202 VanDerWaalsContact CD2-CD2 3.47Å; Y159-L202 HydrophobicContact CE1-CD2 4.2Å; Y159-L202 HydrophobicContact CE2-CD2 4.07Å; Y159-L202 HydrophobicContact CG-CD2 3.22Å; L175-L202 HydrophobicContact CB-CD1 4.33Å; L175-L202 HydrophobicContact CD1-CD1 3.89Å; L175-L202 HydrophobicContact CD2-CD1 4.31Å; L175-L202 HydrophobicContact CG-CD1 4.4Å; L198-L202 HydrophobicContact CD1-CD1 3.72Å; L198-L202 HydrophobicContact CD1-CD2 4.22Å; L198-L202 HydrophobicContact CD1-CG 3.7Å; L198-L202 HydrophobicContact CG-CD1 3.87Å; L198-L202 HydrophobicContact CG-CG 4.26Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 VanDerWaalsContact O-CG 3.24Å; L198-L202 WeakPolarHBondContact O-CG 3.36Å; L198-L202 PolarHBondContact O-N 3.19Å; N200-L202 VanDerWaalsContact C-N 3.28Å; N200-L202 PolarHBondContact O-N 2.93Å; L202-R204 PolarHBondContact O-N 3.46Å; L202-C205 PolarHBondContact O-N 2.94Å
203	K	83.1	Confident	92.5	Very high	101 Å²	101	55.6 Å²	55.6	44%	0.439	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	32.1	-178.9	-72.1	175.9	171.4	173.7	0	114.1	T168 S169 N200 D201	T168-K203 VanDerWaalsContact C-NZ 3.32Å; T168-K203 WeakPolarHBondContact OG1-CE 3.39Å; T168-K203 PolarHBondContact OG1-NZ 2.88Å; S169-K203 VanDerWaalsContact N-NZ 3.18Å; N200-K203 PolarHBondContact O-N 3.32Å; D201-K203 PolarHBondContact O-N 2.93Å
204	R	83.6	Confident	92.3	Very high	198 Å²	198	57.1 Å²	57.1	75%	0.747	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	44.9	178.8	-42.1	-176.7	86.2	-175.9	7	112.8	S199 N200 L202	S199-R204 CarbonylContact O-C 3.49Å; S199-R204 WeakPolarHBondContact O-CA 3.44Å; S199-R204 PolarHBondContact O-N 3.5Å; S199-R204 VanDerWaalsContact O-N 3.13Å; N200-R204 PolarHBondContact O-N 2.86Å; N200-R204 PolarHBondContact OD1-NE 3.25Å; N200-R204 VanDerWaalsContact OD1-NE 3.13Å; L202-R204 PolarHBondContact O-N 3.46Å
205	C	90.8	Very high	92	Very high	14 Å²	14	54.8 Å²	54.8	10%	0.095	25%	0.253	C	S	.	.			trans	-63.8	158.9	172.6	72.7	0	0	0	0	111.5	L173 L175 S199 L202	L173-C205 HydrophobicContact CB-CB 3.95Å; L173-C205 WeakPolarHBondContact O-CB 3.39Å; L175-C205 VanDerWaalsContact CB-SG 3.58Å; S199-C205 PolarHBondContact O-N 2.96Å; S199-C205 PolarHBondContact OG-O 2.87Å; S199-C205 VanDerWaalsContact OG-O 3.1Å; L202-C205 PolarHBondContact O-N 2.94Å
206	T	94.5	Very high	92	Very high	46 Å²	46	57.2 Å²	57.2	28%	0.282	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	146.2	168.3	46.3	0	0	0	0	109.5	L175 D224 K228	L175-T206 PolarHBondContact N-O 2.94Å; T206-D224 PolarHBondContact OG1-OD2 2.68Å; T206-K228 PolarHBondContact OG1-NZ 3.08Å
207	Y	96.8	Very high	92.1	Very high	32 Å²	32	52.3 Å²	52.3	13%	0.125	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.1	173.8	170.1	-120.8	0	0	0	108.8	F144 L175 A195 R196 E209	F144-Y207 HydrophobicContact CE1-CE2 4.02Å; F144-Y207 AromaticContact CZ-CE2 3.93Å; F144-Y207 HydrophobicContact CZ-CE2 3.93Å; L175-Y207 HydrophobicContact CB-CD2 4.39Å; L175-Y207 HydrophobicContact CD2-CD2 3.88Å; L175-Y207 HydrophobicContact CG-CD2 3.97Å; L175-Y207 WeakPolarHBondContact O-CA 3.14Å; A195-Y207 HydrophobicContact CB-CD1 4.37Å; A195-Y207 HydrophobicContact CB-CD2 4.36Å; A195-Y207 HydrophobicContact CB-CE1 3.71Å; A195-Y207 HydrophobicContact CB-CE2 3.69Å; A195-Y207 VanDerWaalsContact CB-OH 3.32Å; A195-Y207 WeakPolarHBondContact CB-OH 3.27Å; R196-Y207 HydrophobicContact CG-CD1 4.23Å; Y207-E209 HydrophobicContact CE1-CG 3.89Å; Y207-E209 HydrophobicContact CE2-CG 4.32Å; Y207-E209 VanDerWaalsContact OH-CD 3.29Å; Y207-E209 WeakPolarHBondContact OH-CG 3.28Å; Y207-E209 PolarHBondContact OH-OE1 3.44Å
208	Y	97.5	Very high	92.1	Very high	55 Å²	55	46.4 Å²	46.4	22%	0.216	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.4	172.5	-66	-81.8	0	0	0	110.1	V174 L175 V176 G177 V221 D224	V174-Y208 HydrophobicContact CG1-CD2 3.77Å; V174-Y208 HydrophobicContact CG1-CE2 4.03Å; L175-Y208 PolarHBondContact O-N 2.84Å; V176-Y208 WeakPolarHBondContact CA-O 3.19Å; G177-Y208 PolarHBondContact N-O 2.7Å; Y208-V221 HydrophobicContact CD2-CG2 3.83Å; Y208-V221 HydrophobicContact CG-CG2 3.84Å; Y208-D224 HydrophobicContact CE2-CB 4.31Å; Y208-D224 WeakPolarHBondContact CE2-OD2 3.22Å; Y208-D224 PolarHBondContact OH-OD2 3.08Å
209	E	96.7	Very high	92.2	Very high	32 Å²	32	51.2 Å²	51.2	15%	0.15	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130	161.2	-64.5	-167.7	-172.4	0	0	109.1	L146 G177 Q179 R188 Y207 N217	L146-E209 HydrophobicContact CD1-CB 4.46Å; L146-E209 HydrophobicContact CD1-CG 4.04Å; G177-E209 CarbonylContact O-C 3.55Å; G177-E209 VanDerWaalsContact O-CA 3.29Å; G177-E209 WeakPolarHBondContact O-CA 3.24Å; Q179-E209 PolarHBondContact NE2-OE2 3.41Å; R188-E209 IonicContact CZ-OE1 2.76Å; R188-E209 IonicContact CZ-OE2 3.4Å; R188-E209 VanDerWaalsContact NH1-CD 3.31Å; R188-E209 IonicContact NH1-OE1 3.61Å; R188-E209 PolarHBondContact NH1-OE1 3Å; R188-E209 IonicContact NH1-OE2 2.8Å; R188-E209 PolarHBondContact NH1-OE2 3.18Å; R188-E209 IonicContact NH2-OE1 2.7Å; R188-E209 PolarHBondContact NH2-OE1 3.22Å; R188-E209 IonicContact NH2-OE2 3.91Å; Y207-E209 HydrophobicContact CE1-CG 3.89Å; Y207-E209 HydrophobicContact CE2-CG 4.32Å; Y207-E209 VanDerWaalsContact OH-CD 3.29Å; Y207-E209 WeakPolarHBondContact OH-CG 3.28Å; Y207-E209 PolarHBondContact OH-OE1 3.44Å; E209-N217 WeakPolarHBondContact O-CB 3.47Å; E209-N217 PolarHBondContact O-ND2 3.43Å
210	T	96.6	Very high	92.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.8	-177.6	54.8	0	0	0	0	111.4	L87 V176 G177 T178 Q179 L216 N217 V221	L87-T210 HydrophobicContact CD1-CG2 4.13Å; V176-T210 HydrophobicContact CG1-CG2 3.74Å; V176-T210 WeakPolarHBondContact CG1-OG1 3.38Å; G177-T210 PolarHBondContact O-N 3.2Å; T178-T210 CarbonylContact C-O 3.5Å; T178-T210 WeakPolarHBondContact CA-O 3.14Å; Q179-T210 PolarHBondContact N-O 2.91Å; T210-L216 VanDerWaalsContact CA-O 3.23Å; T210-L216 WeakPolarHBondContact CA-O 3.33Å; T210-L216 WeakPolarHBondContact CB-O 3.2Å; T210-N217 HydrophobicContact CG2-CB 3.95Å; T210-V221 HydrophobicContact CG2-CG2 3.74Å
211	C	94.5	Very high	92.5	Very high	4 Å²	4	55 Å²	55	3%	0.027	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-139.7	115.3	166.6	-178.5	0	0	0	0	108.3	Q179 D180 T213 Y214 G215 L216	Q179-C211 HydrophobicContact CB-CB 4.22Å; D180-C211 PolarHBondContact OD1-SG 3.38Å; D180-C211 WeakPolarHBondContact OD2-CA 3.14Å; C211-T213 VanDerWaalsContact C-N 3.25Å; C211-T213 PolarHBondContact O-N 3.39Å; C211-T213 VanDerWaalsContact SG-CB 3.54Å; C211-Y214 HydrophobicContact CB-CD1 4.01Å; C211-Y214 HydrophobicContact CB-CE1 3.53Å; C211-Y214 HydrophobicContact CB-CE2 4.31Å; C211-Y214 WeakPolarHBondContact SG-CD1 3.41Å; C211-Y214 WeakPolarHBondContact SG-CE1 3.17Å; C211-G215 CarbonylContact O-C 3.53Å; C211-G215 VanDerWaalsContact O-CA 3.25Å; C211-G215 WeakPolarHBondContact O-CA 3.45Å; C211-G215 PolarHBondContact O-N 2.96Å; C211-L216 HydrophobicContact CB-CB 4.02Å; C211-L216 PolarHBondContact N-O 2.84Å; C211-L216 PolarHBondContact O-N 2.69Å
212	A	91.9	Very high	92.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.9	175.2	0	0	0	0	0	112.1	A86 R90 Y96 D180 Y214	A86-A212 HydrophobicContact CB-CB 3.99Å; A86-A212 WeakPolarHBondContact O-CB 3.34Å; R90-A212 HydrophobicContact CB-CB 3.9Å; R90-A212 VanDerWaalsContact CD-O 3.24Å; R90-A212 WeakPolarHBondContact CD-O 3.39Å; R90-A212 HydrophobicContact CG-CB 4.39Å; R90-A212 VanDerWaalsContact CG-O 3.25Å; R90-A212 WeakPolarHBondContact CG-O 3.48Å; R90-A212 PolarHBondContact NH1-O 3.3Å; Y96-A212 HydrophobicContact CD2-CB 3.67Å; Y96-A212 HydrophobicContact CE2-CB 3.99Å; D180-A212 WeakPolarHBondContact OD1-CA 3.37Å; D180-A212 PolarHBondContact OD1-N 2.82Å; D180-A212 PolarHBondContact OD2-N 3.44Å; A212-Y214 PolarHBondContact O-N 2.9Å
213	T	89.3	Confident	93.2	Very high	63 Å²	63	53.6 Å²	53.6	39%	0.387	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-46.6	-179.5	-54.8	0	0	0	0	112.8	R90 Y96 D180 C211	R90-T213 VanDerWaalsContact NH1-C 3.32Å; R90-T213 PolarHBondContact NH1-O 3.08Å; Y96-T213 HydrophobicContact CD1-CG2 4.37Å; D180-T213 PolarHBondContact OD1-N 3.42Å; D180-T213 PolarHBondContact OD1-OG1 3.49Å; C211-T213 VanDerWaalsContact C-N 3.25Å; C211-T213 PolarHBondContact O-N 3.39Å; C211-T213 VanDerWaalsContact SG-CB 3.54Å
214	Y	88.8	Confident	93.8	Very high	144 Å²	144	49.8 Å²	49.8	57%	0.565	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118	7.5	178.7	59.6	-89.6	0	0	0	114.7	Q179 C211 A212 L216	Q179-Y214 PolarHBondContact OE1-OH 2.87Å; Q179-Y214 VanDerWaalsContact OE1-OH 3.1Å; C211-Y214 HydrophobicContact CB-CD1 4.01Å; C211-Y214 HydrophobicContact CB-CE1 3.53Å; C211-Y214 HydrophobicContact CB-CE2 4.31Å; C211-Y214 WeakPolarHBondContact SG-CD1 3.41Å; C211-Y214 WeakPolarHBondContact SG-CE1 3.17Å; A212-Y214 PolarHBondContact O-N 2.9Å; Y214-L216 HydrophobicContact CD2-CB 4.1Å; Y214-L216 HydrophobicContact CE2-CB 3.6Å; Y214-L216 HydrophobicContact CE2-CD2 4.21Å; Y214-L216 HydrophobicContact CE2-CG 4.38Å
215	G	88.4	Confident	94.5	Very high	29 Å²	29	40.4 Å²	40.4	30%	0.299	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	19.9	171.7	0	0	0	0	0	115.4	C211 N217	C211-G215 CarbonylContact O-C 3.53Å; C211-G215 VanDerWaalsContact O-CA 3.25Å; C211-G215 WeakPolarHBondContact O-CA 3.45Å; C211-G215 PolarHBondContact O-N 2.96Å; G215-N217 PolarHBondContact O-N 3.49Å
216	L	95	Very high	94.7	Very high	52 Å²	52	39.8 Å²	39.8	27%	0.272	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-60.9	124	179.5	176.8	63.7	0	0	0	110.9	T210 C211 Y214 V218	T210-L216 VanDerWaalsContact CA-O 3.23Å; T210-L216 WeakPolarHBondContact CA-O 3.33Å; T210-L216 WeakPolarHBondContact CB-O 3.2Å; C211-L216 HydrophobicContact CB-CB 4.02Å; C211-L216 PolarHBondContact N-O 2.84Å; C211-L216 PolarHBondContact O-N 2.69Å; Y214-L216 HydrophobicContact CD2-CB 4.1Å; Y214-L216 HydrophobicContact CE2-CB 3.6Å; Y214-L216 HydrophobicContact CE2-CD2 4.21Å; Y214-L216 HydrophobicContact CE2-CG 4.38Å; L216-V218 WeakPolarHBondContact O-CG2 3.31Å; L216-V218 PolarHBondContact O-N 2.94Å
217	N	94.4	Very high	94.7	Very high	33 Å²	33	41.9 Å²	41.9	18%	0.176	20%	0.197	C	C	.	.	S	Bend	trans	56.5	-5.7	176.5	-67.8	-40.4	0	0	0	117.5	E209 T210 G215 E219 R220 V221	E209-N217 WeakPolarHBondContact O-CB 3.47Å; E209-N217 PolarHBondContact O-ND2 3.43Å; T210-N217 HydrophobicContact CG2-CB 3.95Å; G215-N217 PolarHBondContact O-N 3.49Å; N217-E219 PolarHBondContact O-N 3.42Å; N217-R220 WeakPolarHBondContact O-CA 3.24Å; N217-R220 VanDerWaalsContact O-CB 3.31Å; N217-R220 WeakPolarHBondContact O-CB 3Å; N217-R220 PolarHBondContact O-N 2.75Å; N217-R220 WeakPolarHBondContact OD1-CD 3.38Å; N217-R220 PolarHBondContact OD1-NH1 3.45Å; N217-V221 PolarHBondContact O-N 3.44Å
218	V	95.2	Very high	94.6	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-49.4	-59.3	-174.6	-179.4	0	0	0	0	112.3	L87 R90 Y91 L216 R220 V221 F222	L87-V218 HydrophobicContact CD1-CB 4.29Å; L87-V218 HydrophobicContact CD1-CG1 3.96Å; L87-V218 HydrophobicContact CD1-CG2 3.86Å; R90-V218 HydrophobicContact CB-CG1 4.5Å; R90-V218 HydrophobicContact CG-CG1 4.36Å; R90-V218 HydrophobicContact CG-CG2 4.19Å; Y91-V218 HydrophobicContact CD2-CG1 4.39Å; L216-V218 WeakPolarHBondContact O-CG2 3.31Å; L216-V218 PolarHBondContact O-N 2.94Å; V218-R220 PolarHBondContact O-N 2.57Å; V218-V221 PolarHBondContact O-N 3.01Å; V218-F222 HydrophobicContact CG1-CE2 4.49Å; V218-F222 WeakPolarHBondContact O-CD2 3.37Å
219	E	94.6	Very high	94.5	Very high	100 Å²	100	40.1 Å²	40.1	47%	0.467	19%	0.191	S	C	.	.	H	α-helix	trans	-60.7	-30	179.1	-163.8	67.4	-151.1	0	0	112.6	Y91 K109 N217 Q223	Y91-E219 VanDerWaalsContact CD2-OE2 3.31Å; Y91-E219 WeakPolarHBondContact CD2-OE2 3.28Å; Y91-E219 VanDerWaalsContact CE2-CD 3.47Å; Y91-E219 WeakPolarHBondContact CE2-OE1 3.41Å; Y91-E219 WeakPolarHBondContact CE2-OE2 3.31Å; K109-E219 IonicContact NZ-OE1 2.76Å; K109-E219 IonicContact NZ-OE2 2.79Å; K109-E219 PolarHBondContact NZ-OE2 2.88Å; N217-E219 PolarHBondContact O-N 3.42Å; E219-Q223 VanDerWaalsContact O-CB 3.28Å; E219-Q223 WeakPolarHBondContact O-CB 3.11Å; E219-Q223 PolarHBondContact O-N 2.88Å; E219-Q223 VanDerWaalsContact O-N 3.08Å
220	R	95.6	Very high	94.3	Very high	163 Å²	163	38.9 Å²	38.9	62%	0.615	19%	0.185	S	C	*	.	H	α-helix	trans	-71	-36.8	179.9	-59	180	-179.3	155.4	-4.9	112.1	N217 V218 D224	N217-R220 WeakPolarHBondContact O-CA 3.24Å; N217-R220 VanDerWaalsContact O-CB 3.31Å; N217-R220 WeakPolarHBondContact O-CB 3Å; N217-R220 PolarHBondContact O-N 2.75Å; N217-R220 WeakPolarHBondContact OD1-CD 3.38Å; N217-R220 PolarHBondContact OD1-NH1 3.45Å; V218-R220 PolarHBondContact O-N 2.57Å; R220-D224 WeakPolarHBondContact O-CB 3.31Å; R220-D224 PolarHBondContact O-N 2.99Å
221	V	97.3	Very high	94.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-54.7	176.6	173.6	0	0	0	0	110	I141 V174 V176 Y208 T210 N217 V218 Q223 D224 V225	I141-V221 HydrophobicContact CD1-CG1 3.86Å; I141-V221 HydrophobicContact CG1-CG1 4.44Å; I141-V221 HydrophobicContact CG2-CG1 4.31Å; V174-V221 HydrophobicContact CG1-CG1 4.24Å; V176-V221 HydrophobicContact CG2-CG1 3.78Å; V176-V221 HydrophobicContact CG2-CG2 4.01Å; Y208-V221 HydrophobicContact CD2-CG2 3.83Å; Y208-V221 HydrophobicContact CG-CG2 3.84Å; T210-V221 HydrophobicContact CG2-CG2 3.74Å; N217-V221 PolarHBondContact O-N 3.44Å; V218-V221 PolarHBondContact O-N 3.01Å; V221-Q223 VanDerWaalsContact C-N 3.32Å; V221-Q223 PolarHBondContact O-N 2.89Å; V221-D224 PolarHBondContact O-N 3.47Å; V221-V225 VanDerWaalsContact O-CG2 3.27Å; V221-V225 WeakPolarHBondContact O-CG2 3.06Å; V221-V225 PolarHBondContact O-N 2.63Å
222	F	96.9	Very high	93.8	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-35.9	-178.7	-73.7	-87.6	0	0	0	112.4	I76 L87 V88 Y91 L120 I122 I141 V218 A226	I76-F222 HydrophobicContact CD1-CE1 3.78Å; I76-F222 HydrophobicContact CD1-CZ 3.73Å; L87-F222 HydrophobicContact CG-CE2 4.46Å; V88-F222 HydrophobicContact CG2-CZ 4.4Å; Y91-F222 HydrophobicContact CD1-CB 4.4Å; Y91-F222 AromaticContact CD1-CD1 3.72Å; Y91-F222 HydrophobicContact CD1-CD1 3.72Å; Y91-F222 AromaticContact CD1-CD2 3.75Å; Y91-F222 HydrophobicContact CD1-CD2 3.75Å; Y91-F222 AromaticContact CD1-CE1 3.8Å; Y91-F222 HydrophobicContact CD1-CE1 3.8Å; Y91-F222 AromaticContact CD1-CE2 3.85Å; Y91-F222 HydrophobicContact CD1-CE2 3.85Å; Y91-F222 AromaticContact CD1-CG 3.68Å; Y91-F222 HydrophobicContact CD1-CG 3.68Å; Y91-F222 AromaticContact CD1-CZ 3.88Å; Y91-F222 HydrophobicContact CD1-CZ 3.88Å; Y91-F222 HydrophobicContact CD2-CB 3.93Å; Y91-F222 AromaticContact CD2-CD2 3.41Å; Y91-F222 HydrophobicContact CD2-CD2 3.41Å; Y91-F222 VanDerWaalsContact CD2-CD2 3.41Å; Y91-F222 HydrophobicContact CD2-CE2 4.05Å; Y91-F222 AromaticContact CD2-CG 3.73Å; Y91-F222 HydrophobicContact CD2-CG 3.73Å; Y91-F222 HydrophobicContact CE1-CB 3.96Å; Y91-F222 AromaticContact CE1-CD1 3.64Å; Y91-F222 HydrophobicContact CE1-CD1 3.64Å; Y91-F222 HydrophobicContact CE1-CD2 4.18Å; Y91-F222 HydrophobicContact CE1-CE1 4.14Å; Y91-F222 AromaticContact CE1-CG 3.66Å; Y91-F222 HydrophobicContact CE1-CG 3.66Å; Y91-F222 HydrophobicContact CE2-CB 3.42Å; Y91-F222 VanDerWaalsContact CE2-CB 3.42Å; Y91-F222 AromaticContact CE2-CD2 3.87Å; Y91-F222 HydrophobicContact CE2-CD2 3.87Å; Y91-F222 AromaticContact CE2-CG 3.69Å; Y91-F222 HydrophobicContact CE2-CG 3.69Å; Y91-F222 HydrophobicContact CG-CB 4.4Å; Y91-F222 HydrophobicContact CG-CD1 4.21Å; Y91-F222 AromaticContact CG-CD2 3.34Å; Y91-F222 HydrophobicContact CG-CD2 3.34Å; Y91-F222 HydrophobicContact CG-CE1 4.33Å; Y91-F222 AromaticContact CG-CE2 3.52Å; Y91-F222 HydrophobicContact CG-CE2 3.52Å; Y91-F222 AromaticContact CG-CG 3.73Å; Y91-F222 HydrophobicContact CG-CG 3.73Å; Y91-F222 HydrophobicContact CG-CZ 4.02Å; Y91-F222 VanDerWaalsContact CZ-CB 3.46Å; Y91-F222 AromaticContact CZ-CG 3.68Å; L120-F222 HydrophobicContact CD2-CD1 4.28Å; I122-F222 HydrophobicContact CD1-CD1 4.32Å; I122-F222 HydrophobicContact CD1-CE1 3.84Å; I122-F222 HydrophobicContact CG1-CE1 4.37Å; I141-F222 HydrophobicContact CD1-CD1 4.3Å; I141-F222 HydrophobicContact CD1-CE1 4.05Å; I141-F222 HydrophobicContact CD1-CZ 4.27Å; V218-F222 HydrophobicContact CG1-CE2 4.49Å; V218-F222 WeakPolarHBondContact O-CD2 3.37Å; F222-A226 WeakPolarHBondContact O-CB 3.37Å; F222-A226 PolarHBondContact O-N 3.01Å
223	Q	96.5	Very high	93.7	Very high	53 Å²	53	46.7 Å²	46.7	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-69.5	-40.3	176.4	-168.1	68.3	-2.3	0	0	113	V112 E219 V221 A226 Q227	V112-Q223 PolarHBondContact O-NE2 2.73Å; E219-Q223 VanDerWaalsContact O-CB 3.28Å; E219-Q223 WeakPolarHBondContact O-CB 3.11Å; E219-Q223 PolarHBondContact O-N 2.88Å; E219-Q223 VanDerWaalsContact O-N 3.08Å; V221-Q223 VanDerWaalsContact C-N 3.32Å; V221-Q223 PolarHBondContact O-N 2.89Å; Q223-A226 PolarHBondContact O-N 2.93Å; Q223-Q227 WeakPolarHBondContact O-CB 3.39Å; Q223-Q227 VanDerWaalsContact O-CG 3.23Å; Q223-Q227 WeakPolarHBondContact O-CG 3.23Å; Q223-Q227 PolarHBondContact O-N 3.36Å
224	D	96	Very high	93.5	Very high	22 Å²	22	48.1 Å²	48.1	12%	0.118	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-45.7	173.1	172.2	48.3	0	0	0	111.3	T206 Y208 R220 V221 A226 Q227 K228	T206-D224 PolarHBondContact OG1-OD2 2.68Å; Y208-D224 HydrophobicContact CE2-CB 4.31Å; Y208-D224 WeakPolarHBondContact CE2-OD2 3.22Å; Y208-D224 PolarHBondContact OH-OD2 3.08Å; R220-D224 WeakPolarHBondContact O-CB 3.31Å; R220-D224 PolarHBondContact O-N 2.99Å; V221-D224 PolarHBondContact O-N 3.47Å; D224-A226 PolarHBondContact O-N 2.85Å; D224-Q227 PolarHBondContact O-N 3.2Å; D224-K228 VanDerWaalsContact CG-NZ 3.29Å; D224-K228 WeakPolarHBondContact O-CB 3.42Å; D224-K228 VanDerWaalsContact O-CG 3.31Å; D224-K228 WeakPolarHBondContact O-CG 3.41Å; D224-K228 PolarHBondContact O-N 3Å; D224-K228 WeakPolarHBondContact OD1-CE 3.32Å; D224-K228 IonicContact OD1-NZ 2.78Å; D224-K228 PolarHBondContact OD1-NZ 3.11Å; D224-K228 VanDerWaalsContact OD1-NZ 3.16Å; D224-K228 WeakPolarHBondContact OD2-CE 3.31Å; D224-K228 IonicContact OD2-NZ 2.75Å; D224-K228 PolarHBondContact OD2-NZ 2.66Å
225	V	96.4	Very high	93.2	Very high	1 Å²	1	49 Å²	49	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-50.6	175.3	173	0	0	0	0	111.3	V74 A139 I141 V174 V221 Q227 K228 I229	V74-V225 HydrophobicContact CB-CG1 4.46Å; V74-V225 HydrophobicContact CG1-CG1 4.08Å; V74-V225 HydrophobicContact CG2-CG1 3.51Å; A139-V225 HydrophobicContact CB-CG1 3.64Å; I141-V225 HydrophobicContact CD1-CG2 4.07Å; I141-V225 HydrophobicContact CG1-CG2 3.83Å; V174-V225 HydrophobicContact CB-CG2 4.04Å; V174-V225 HydrophobicContact CG2-CG2 3.49Å; V174-V225 VanDerWaalsContact CG2-CG2 3.49Å; V221-V225 VanDerWaalsContact O-CG2 3.27Å; V221-V225 WeakPolarHBondContact O-CG2 3.06Å; V221-V225 PolarHBondContact O-N 2.63Å; V225-Q227 PolarHBondContact O-N 2.76Å; V225-K228 PolarHBondContact O-N 2.99Å; V225-I229 HydrophobicContact CG1-CD1 4.16Å; V225-I229 WeakPolarHBondContact O-CG1 3.3Å; V225-I229 PolarHBondContact O-N 3.42Å
226	A	96	Very high	92.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-41.2	-179.5	0	0	0	0	0	112.5	L72 I111 V113 F222 Q223 D224 K228 I229 V230	L72-A226 HydrophobicContact CD1-CB 3.96Å; I111-A226 HydrophobicContact CD1-CB 3.49Å; I111-A226 VanDerWaalsContact CD1-CB 3.49Å; I111-A226 HydrophobicContact CG1-CB 4.34Å; V113-A226 HydrophobicContact CG2-CB 3.73Å; F222-A226 WeakPolarHBondContact O-CB 3.37Å; F222-A226 PolarHBondContact O-N 3.01Å; Q223-A226 PolarHBondContact O-N 2.93Å; D224-A226 PolarHBondContact O-N 2.85Å; A226-K228 VanDerWaalsContact C-N 3.34Å; A226-K228 PolarHBondContact O-N 2.84Å; A226-I229 PolarHBondContact O-N 3.42Å; A226-V230 WeakPolarHBondContact O-CG2 3.29Å; A226-V230 PolarHBondContact O-N 3.07Å; A226-V230 VanDerWaalsContact O-N 3.08Å
227	Q	95.2	Very high	91.5	Very high	91 Å²	91	56.5 Å²	56.5	43%	0.425	26%	0.264	S	S	.	.	H	α-helix	trans	-58.9	-43.3	172.6	-77.4	174.5	4.9	0	0	111.9	V113 Q223 D224 V225 V230 A231	V113-Q227 HydrophobicContact CG1-CG 3.93Å; Q223-Q227 WeakPolarHBondContact O-CB 3.39Å; Q223-Q227 VanDerWaalsContact O-CG 3.23Å; Q223-Q227 WeakPolarHBondContact O-CG 3.23Å; Q223-Q227 PolarHBondContact O-N 3.36Å; D224-Q227 PolarHBondContact O-N 3.2Å; V225-Q227 PolarHBondContact O-N 2.76Å; Q227-V230 PolarHBondContact O-N 3.19Å; Q227-A231 VanDerWaalsContact O-CB 3.32Å; Q227-A231 WeakPolarHBondContact O-CB 3.43Å; Q227-A231 PolarHBondContact O-N 2.92Å
228	K	94.3	Very high	90.2	Very high	48 Å²	48	62.2 Å²	62.2	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-37.9	178.1	-75.1	165.5	171	165.5	0	113.8	P172 T206 D224 V225 A226 A231 T232	P172-K228 HydrophobicContact CB-CB 3.67Å; P172-K228 HydrophobicContact CB-CD 4.2Å; P172-K228 HydrophobicContact CB-CG 4.48Å; P172-K228 HydrophobicContact CG-CB 3.9Å; T206-K228 PolarHBondContact OG1-NZ 3.08Å; D224-K228 VanDerWaalsContact CG-NZ 3.29Å; D224-K228 WeakPolarHBondContact O-CB 3.42Å; D224-K228 VanDerWaalsContact O-CG 3.31Å; D224-K228 WeakPolarHBondContact O-CG 3.41Å; D224-K228 PolarHBondContact O-N 3Å; D224-K228 WeakPolarHBondContact OD1-CE 3.32Å; D224-K228 IonicContact OD1-NZ 2.78Å; D224-K228 PolarHBondContact OD1-NZ 3.11Å; D224-K228 VanDerWaalsContact OD1-NZ 3.16Å; D224-K228 WeakPolarHBondContact OD2-CE 3.31Å; D224-K228 IonicContact OD2-NZ 2.75Å; D224-K228 PolarHBondContact OD2-NZ 2.66Å; V225-K228 PolarHBondContact O-N 2.99Å; A226-K228 VanDerWaalsContact C-N 3.34Å; A226-K228 PolarHBondContact O-N 2.84Å; K228-A231 PolarHBondContact O-N 3.36Å; K228-T232 VanDerWaalsContact O-CB 3.3Å; K228-T232 WeakPolarHBondContact O-CB 3.32Å; K228-T232 PolarHBondContact O-N 2.84Å; K228-T232 PolarHBondContact O-OG1 2.9Å
229	I	94.3	Very high	88.4	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-50.7	172.8	-63	164.1	0	0	0	109.4	L72 V74 D138 A139 V225 A226 A231 T232 R233	L72-I229 HydrophobicContact CB-CD1 4.17Å; L72-I229 HydrophobicContact CD2-CB 4.04Å; L72-I229 HydrophobicContact CD2-CG2 3.47Å; L72-I229 VanDerWaalsContact CD2-CG2 3.47Å; V74-I229 HydrophobicContact CG2-CD1 3.88Å; D138-I229 HydrophobicContact CB-CB 4.34Å; D138-I229 HydrophobicContact CB-CD1 3.77Å; D138-I229 HydrophobicContact CB-CG1 3.77Å; D138-I229 HydrophobicContact CB-CG2 3.6Å; A139-I229 HydrophobicContact CB-CD1 3.78Å; A139-I229 HydrophobicContact CB-CG1 3.54Å; V225-I229 HydrophobicContact CG1-CD1 4.16Å; V225-I229 WeakPolarHBondContact O-CG1 3.3Å; V225-I229 PolarHBondContact O-N 3.42Å; A226-I229 PolarHBondContact O-N 3.42Å; I229-A231 VanDerWaalsContact C-N 3.34Å; I229-A231 PolarHBondContact O-N 3.2Å; I229-T232 PolarHBondContact O-N 2.68Å; I229-R233 HydrophobicContact CG2-CG 4.34Å; I229-R233 WeakPolarHBondContact O-CB 3.5Å; I229-R233 WeakPolarHBondContact O-CG 3.26Å; I229-R233 PolarHBondContact O-N 3.14Å
230	V	93.4	Very high	86.6	Confident	6 Å²	6	68.1 Å²	68.1	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-41.6	-179.9	170.7	0	0	0	0	111.3	L72 V113 Y118 A226 Q227 K234	L72-V230 HydrophobicContact CD1-CG2 4.39Å; L72-V230 HydrophobicContact CD2-CG2 4Å; V113-V230 HydrophobicContact CB-CG2 4.35Å; V113-V230 HydrophobicContact CG1-CB 4.13Å; V113-V230 HydrophobicContact CG1-CG1 4.24Å; V113-V230 HydrophobicContact CG1-CG2 4.01Å; Y118-V230 HydrophobicContact CE1-CG2 4.01Å; Y118-V230 HydrophobicContact CE2-CG2 4.15Å; A226-V230 WeakPolarHBondContact O-CG2 3.29Å; A226-V230 PolarHBondContact O-N 3.07Å; A226-V230 VanDerWaalsContact O-N 3.08Å; Q227-V230 PolarHBondContact O-N 3.19Å; V230-K234 HydrophobicContact CG1-CD 4.15Å; V230-K234 WeakPolarHBondContact O-CB 3.18Å; V230-K234 VanDerWaalsContact O-CG 3.24Å; V230-K234 WeakPolarHBondContact O-CG 3.39Å; V230-K234 PolarHBondContact O-N 3.2Å
231	A	91.4	Very high	84	Confident	54 Å²	54	62.6 Å²	62.6	45%	0.446	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-42.3	175.4	0	0	0	0	0	112.8	Q227 K228 I229 K234 K235	Q227-A231 VanDerWaalsContact O-CB 3.32Å; Q227-A231 WeakPolarHBondContact O-CB 3.43Å; Q227-A231 PolarHBondContact O-N 2.92Å; K228-A231 PolarHBondContact O-N 3.36Å; I229-A231 VanDerWaalsContact C-N 3.34Å; I229-A231 PolarHBondContact O-N 3.2Å; A231-K234 PolarHBondContact O-N 3.4Å; A231-K235 WeakPolarHBondContact O-CB 3.37Å; A231-K235 PolarHBondContact O-N 3.37Å
232	T	89.1	Confident	81.3	Confident	42 Å²	42	69 Å²	69	26%	0.258	37%	0.369	S	S	.	.	H	α-helix	trans	-65.1	-46	178.6	-59.5	0	0	0	0	111.1	K228 I229 K234 K235 Q236	K228-T232 VanDerWaalsContact O-CB 3.3Å; K228-T232 WeakPolarHBondContact O-CB 3.32Å; K228-T232 PolarHBondContact O-N 2.84Å; K228-T232 PolarHBondContact O-OG1 2.9Å; I229-T232 PolarHBondContact O-N 2.68Å; T232-K234 PolarHBondContact O-N 3.33Å; T232-K235 WeakPolarHBondContact O-CB 3.37Å; T232-K235 PolarHBondContact O-N 2.83Å; T232-Q236 WeakPolarHBondContact O-CG 3.41Å; T232-Q236 PolarHBondContact O-N 2.67Å
233	R	88.7	Confident	78.3	Confident	71 Å²	71	75 Å²	75	27%	0.268	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-41.3	175.1	-70.6	174.5	172.9	-170	-1.3	112.2	E71 D138 I229 K235 Q236 Q237	E71-R233 VanDerWaalsContact O-CZ 3.28Å; E71-R233 PolarHBondContact O-NH1 2.89Å; E71-R233 PolarHBondContact O-NH2 2.76Å; D138-R233 IonicContact OD1-CZ 2.95Å; D138-R233 VanDerWaalsContact OD1-CZ 3.24Å; D138-R233 IonicContact OD1-NE 3.73Å; D138-R233 PolarHBondContact OD1-NE 2.81Å; D138-R233 IonicContact OD1-NH2 3.72Å; D138-R233 PolarHBondContact OD1-NH2 2.75Å; D138-R233 IonicContact OD2-CZ 3.09Å; D138-R233 IonicContact OD2-NH2 2.56Å; D138-R233 PolarHBondContact OD2-NH2 3.05Å; I229-R233 HydrophobicContact CG2-CG 4.34Å; I229-R233 WeakPolarHBondContact O-CB 3.5Å; I229-R233 WeakPolarHBondContact O-CG 3.26Å; I229-R233 PolarHBondContact O-N 3.14Å; R233-K235 PolarHBondContact O-N 3.25Å; R233-Q236 PolarHBondContact O-N 2.68Å; R233-Q237 WeakPolarHBondContact O-CG 3.49Å; R233-Q237 PolarHBondContact O-N 2.84Å
234	K	85.8	Confident	75.6	Confident	93 Å²	93	82.3 Å²	82.3	40%	0.404	44%	0.441	S	S	.	.	H	α-helix	trans	-60	-43.5	172.5	-76.1	170.3	-177.3	175.4	0	111.9	D114 V230 A231 T232 Q237 L238	D114-K234 IonicContact OD2-NZ 2.65Å; D114-K234 PolarHBondContact OD2-NZ 2.97Å; V230-K234 HydrophobicContact CG1-CD 4.15Å; V230-K234 WeakPolarHBondContact O-CB 3.18Å; V230-K234 VanDerWaalsContact O-CG 3.24Å; V230-K234 WeakPolarHBondContact O-CG 3.39Å; V230-K234 PolarHBondContact O-N 3.2Å; A231-K234 PolarHBondContact O-N 3.4Å; T232-K234 PolarHBondContact O-N 3.33Å; K234-Q237 PolarHBondContact O-N 3.4Å; K234-L238 WeakPolarHBondContact O-CG 3.3Å; K234-L238 PolarHBondContact O-N 2.8Å; K234-L238 VanDerWaalsContact O-N 3.09Å
235	K	83.1	Confident	72.6	Confident	164 Å²	164	87.1 Å²	87.1	71%	0.713	48%	0.477	S	S	*	.	H	α-helix	trans	-62	-44.6	176.7	-174.2	-178.2	177.8	-174.9	0	111.6	A231 T232 R233 L238 S239	A231-K235 WeakPolarHBondContact O-CB 3.37Å; A231-K235 PolarHBondContact O-N 3.37Å; T232-K235 WeakPolarHBondContact O-CB 3.37Å; T232-K235 PolarHBondContact O-N 2.83Å; R233-K235 PolarHBondContact O-N 3.25Å; K235-L238 PolarHBondContact O-N 3.16Å; K235-S239 PolarHBondContact O-N 3.43Å; K235-S239 VanDerWaalsContact O-N 3.12Å; K235-S239 PolarHBondContact O-OG 3.29Å
236	Q	77.1	Confident	69.5	Low	94 Å²	94	95 Å²	95	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-61.3	-43.3	176.4	-73.1	168.6	-14.4	0	0	112.1	T232 R233 L238 S239	T232-Q236 WeakPolarHBondContact O-CG 3.41Å; T232-Q236 PolarHBondContact O-N 2.67Å; R233-Q236 PolarHBondContact O-N 2.68Å; Q236-L238 VanDerWaalsContact C-N 3.32Å; Q236-L238 PolarHBondContact O-N 2.87Å; Q236-S239 WeakPolarHBondContact CA-OG 3.22Å; Q236-S239 PolarHBondContact O-N 2.74Å; Q236-S239 PolarHBondContact O-OG 3Å
237	Q	70.6	Confident	67	Low	144 Å²	144	100.5 Å²	100.5	67%	0.673	55%	0.553	S	S	*	*	H	α-helix	trans	-61.6	-37.5	175.3	-73.2	175.2	0.1	0	0	112.7	R233 K234 I240	R233-Q237 WeakPolarHBondContact O-CG 3.49Å; R233-Q237 PolarHBondContact O-N 2.84Å; K234-Q237 PolarHBondContact O-N 3.4Å; Q237-I240 PolarHBondContact O-N 3.46Å
238	L	66.4	Low	64	Low	153 Å²	153	103.5 Å²	103.5	80%	0.801	57%	0.573	S	S	*	*	H	α-helix	trans	-73.8	-22.9	177.7	-70.7	168.2	0	0	0	113.7	K234 K235 Q236	K234-L238 WeakPolarHBondContact O-CG 3.3Å; K234-L238 PolarHBondContact O-N 2.8Å; K234-L238 VanDerWaalsContact O-N 3.09Å; K235-L238 PolarHBondContact O-N 3.16Å; Q236-L238 VanDerWaalsContact C-N 3.32Å; Q236-L238 PolarHBondContact O-N 2.87Å
239	S	58.8	Low	60.9	Low	93 Å²	93	106.5 Å²	106.5	65%	0.65	60%	0.599	S	S	*	*	H	α-helix	trans	-79.9	-10.7	174.3	46.9	0	0	0	0	114.8	K235 Q236 G241	K235-S239 PolarHBondContact O-N 3.43Å; K235-S239 VanDerWaalsContact O-N 3.12Å; K235-S239 PolarHBondContact O-OG 3.29Å; Q236-S239 WeakPolarHBondContact CA-OG 3.22Å; Q236-S239 PolarHBondContact O-N 2.74Å; Q236-S239 PolarHBondContact O-OG 3Å; S239-G241 PolarHBondContact O-N 2.96Å
240	I	55.8	Low	58.3	Low	135 Å²	135	112.3 Å²	112.3	69%	0.692	64%	0.637	S	S	*	*	S	Bend	trans	-93.5	95.4	179.4	-61.5	170.3	0	0	0	109.5	Q237	Q237-I240 PolarHBondContact O-N 3.46Å
241	G	41.6	Very low	55.3	Low	47 Å²	47	117.2 Å²	117.2	49%	0.485	67%	0.672	S	S	.	*			trans	-65.5	153.3	175.3	0	0	0	0	0	113.4	S239 C243	S239-G241 PolarHBondContact O-N 2.96Å; G241-C243 PolarHBondContact O-N 2.9Å
242	P	40.8	Very low	52.2	Low	134 Å²	134	123.3 Å²	123.3	87%	0.87	69%	0.691	S	S	*	*			trans	-77	87.2	-168.1	31.2	-36.9	0	0	0	113.8
243	C	32.4	Very low	49.3	Very low	129 Å²	129	126 Å²	126	87%	0.872	71%	0.711	S	S	*	*			trans	-80.4	133.6	165.7	-65.8	0	0	0	0	110.9	G241	G241-C243 PolarHBondContact O-N 2.9Å
244	K	40.3	Very low	46.3	Very low	206 Å²	206	127.4 Å²	127.4	90%	0.896	73%	0.732	S	S	*	*			trans	-96.8	114.3	-172.7	-67	174.2	179.6	171.6	0	112.9
245	S	33.4	Very low	43.6	Very low	122 Å²	122	129.5 Å²	129.5	85%	0.853	75%	0.752	S	S	*	*			trans	-169.2	162.6	146.5	37.9	0	0	0	0	112.5
246	L	31.1	Very low	40.8	Very low	167 Å²	167	128 Å²	128	87%	0.874	76%	0.761	S	S	*	*			trans	-142.9	167.2	-175.4	-75.9	165.3	0	0	0	107.9
247	P	42.7	Very low	38.4	Very low	115 Å²	115	129.2 Å²	129.2	75%	0.747	78%	0.78	S	S	*	*			cis	-130.8	-175.2	-23.6	34.9	-15.1	0	0	0	113.5
248	N	32.8	Very low	36.2	Very low	155 Å²	155	127 Å²	127	83%	0.829	79%	0.786	S	S	*	*			trans	-69.6	169.6	173.4	-49.2	-8.6	0	0	0	112
249	S	29.8	Very low	34.3	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	79%	0.788	S	S	*	*			cis	-158.8	-172.7	23.8	-48.8	0	0	0	0	109
250	P	39.3	Very low	32.7	Very low	125 Å²	125	129.8 Å²	129.8	81%	0.812	79%	0.793	S	S	*	*			cis	-130.7	-168.7	-3.7	42	-23.1	0	0	0	115
251	S	30.7	Very low	31.3	Very low	108 Å²	108	128.8 Å²	128.8	76%	0.755	80%	0.798	S	S	*	*			trans	-69.2	162	-171.6	-35.1	0	0	0	0	117
252	H	26.9	Very low	30.5	Very low	182 Å²	182	131.2 Å²	131.2	84%	0.843	81%	0.814	S	S	*	*				-163.9	143.8	120.5	-106	-74.5	0	0	0	114
253	S	27.1	Very low	29.9	Very low	98 Å²	98	131.2 Å²	131.2	69%	0.685	81%	0.811	S	S	*	*			trans	57.1	128.8	151.1	59.2	0	0	0	0	124.3
254	S	26.5	Very low	29.6	Very low	101 Å²	101	133 Å²	133	71%	0.706	81%	0.806	S	S	*	*			trans	71.6	121.6	130.6	64.3	0	0	0	0	123.5
255	V	27.9	Very low	29	Very low	137 Å²	137	129.8 Å²	129.8	83%	0.83	80%	0.797	S	S	*	*			trans	58.1	116.9	137	-175.6	0	0	0	0	119.1
256	C	25.2	Very low	28.6	Very low	133 Å²	133	129.2 Å²	129.2	90%	0.899	79%	0.793	S	S	*	*			trans	-157.8	116.6	163	-107.9	0	0	0	0	112
257	S	26	Very low	28.5	Very low	120 Å²	120	130.2 Å²	130.2	84%	0.839	79%	0.793	S	S	*	*			trans	-163.9	76.3	162.6	60.3	0	0	0	0	114.6
258	A	25.2	Very low	27.7	Very low	97 Å²	97	131.4 Å²	131.4	80%	0.802	80%	0.798	S	S	*	*			trans	-172.5	142.1	153.6	0	0	0	0	0	109.6
259	Q	26.6	Very low	27.5	Very low	181 Å²	181	129.2 Å²	129.2	85%	0.846	80%	0.795	S	S	*	*			cis	-156.4	134.8	-16.5	-124.6	-179.2	-7.4	0	0	110.7
260	V	25	Very low	27.5	Very low	123 Å²	123	131.7 Å²	131.7	75%	0.745	80%	0.8	S	S	*	*			trans	30	108.5	139.6	-173.5	0	0	0	0	121.3
261	S	26.2	Very low	27	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	80%	0.803	S	S	*	*			trans	61.2	136.6	131.9	-53.7	0	0	0	0	125.9
262	A	25.3	Very low	26.8	Very low	98 Å²	98	128.8 Å²	128.8	81%	0.81	81%	0.81	S	S	*	*			trans	-142.4	118.1	143.1	0	0	0	0	0	107.8
263	V	27.9	Very low	26.8	Very low	134 Å²	134	124.1 Å²	124.1	81%	0.812	81%	0.811	S	S	*	*				80.2	84.9	74.1	179.9	0	0	0	0	115.2
264	H	26.2	Very low	26.8	Very low	166 Å²	166	124.3 Å²	124.3	77%	0.769	81%	0.812	S	S	*	*			trans	53.9	140.1	130.5	-96.4	-123.4	0	0	0	125.6
265	I	26.6	Very low	26.8	Very low	139 Å²	139	126.8 Å²	126.8	71%	0.713	82%	0.817	S	S	*	*			trans	75.8	116.9	144.7	-66.2	162.7	0	0	0	121.2
266	S	25.3	Very low	27	Very low	109 Å²	109	124.5 Å²	124.5	76%	0.762	81%	0.807	S	S	*	*				-172.9	122.4	125.1	38.3	0	0	0	0	107.1
267	Q	28.5	Very low	27	Very low	189 Å²	189	125.1 Å²	125.1	88%	0.883	80%	0.801	S	S	*	*				52.6	124.2	65.9	-84.9	-165.7	-7.1	0	0	115.2
268	T	26.7	Very low	27	Very low	139 Å²	139	130 Å²	130	85%	0.853	80%	0.803	S	S	*	*			trans	-118.2	127.2	-174.6	51.3	0	0	0	0	111.8
269	S	28.3	Very low	27.2	Very low	109 Å²	109	129 Å²	129	76%	0.762	79%	0.789	S	S	*	*			trans	-165.4	148.1	143.4	54.4	0	0	0	0	112.1
270	N	30.5	Very low	27.3	Very low	163 Å²	163	125.2 Å²	125.2	87%	0.872	78%	0.783	S	S	*	*			trans	27.4	114	154.2	-51.4	-7.9	0	0	0	117.9
271	G	28.1	Very low	27.3	Very low	85 Å²	85	124.6 Å²	124.6	88%	0.876	79%	0.785	S	S	*	*			cis	110.8	133.3	30.1	0	0	0	0	0	111.5
272	G	26.5	Very low	27.5	Very low	87 Å²	87	125.5 Å²	125.5	90%	0.897	79%	0.785	S	S	*	*			trans	114.9	150.1	167.9	0	0	0	0	0	116
273	G	26.8	Very low	28.3	Very low	84 Å²	84	125.9 Å²	125.9	87%	0.866	78%	0.779	S	S	*	*			trans	112.2	72.2	163.1	0	0	0	0	0	117.6
274	S	28.2	Very low	28.2	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	78%	0.778	S	S	*	*			trans	-40.8	145	160.9	174.5	0	0	0	0	116.5
275	L	26.4	Very low	28.4	Very low	154 Å²	154	123 Å²	123	81%	0.806	78%	0.779	S	S	*	*			trans	32.6	140.1	138.1	-52	172.8	0	0	0	120.1
276	S	31.3	Very low	29.1	Very low	89 Å²	89	121.4 Å²	121.4	62%	0.622	78%	0.777	S	S	*	*			cis	-169.7	-178.6	0	44.4	0	0	0	0	111.6
277	D	26.5	Very low	29.1	Very low	146 Å²	146	121.2 Å²	121.2	78%	0.781	78%	0.776	S	S	*	*			trans	87.7	149.1	154.1	-61.4	-62.2	0	0	0	122.3
278	Y	25.3	Very low	28.9	Very low	223 Å²	223	118.5 Å²	118.5	88%	0.875	77%	0.772	S	S	*	*			trans	73.6	144	160.9	-129.3	-101.5	0	0	0	119.6
279	S	28.1	Very low	28.7	Very low	74 Å²	74	116.7 Å²	116.7	52%	0.517	77%	0.765	S	S	.	*			cis	-171.9	154.1	-38.7	-173	0	0	0	0	108.9
280	S	28.8	Very low	28.7	Very low	102 Å²	102	119.2 Å²	119.2	71%	0.713	77%	0.765	S	S	*	*			trans	62.3	162.4	159.2	64.6	0	0	0	0	117.3
281	S	25.8	Very low	28.7	Very low	111 Å²	111	118.3 Å²	118.3	78%	0.776	75%	0.753	S	S	*	*			cis	-152.6	164.4	0.6	5.7	0	0	0	0	111.9
282	V	29.7	Very low	28.8	Very low	134 Å²	134	119.2 Å²	119.2	81%	0.812	74%	0.735	S	S	*	*			trans	-72.9	-177	162.4	-61.2	0	0	0	0	110.7
283	P	43.1	Very low	28.9	Very low	106 Å²	106	121.3 Å²	121.3	69%	0.688	73%	0.725	S	S	*	*			cis	-145.5	-170.3	7.2	42.5	-21.2	0	0	0	117.7
284	S	24.8	Very low	29	Very low	112 Å²	112	125.2 Å²	125.2	78%	0.783	71%	0.713	S	S	*	*			trans	92.6	132.2	139.8	-68.4	0	0	0	0	123.5
285	T	32.2	Very low	29.1	Very low	128 Å²	128	126.5 Å²	126.5	79%	0.785	71%	0.711	S	S	*	*			trans	-77	-172.6	156.2	52.4	0	0	0	0	109.6
286	P	40.8	Very low	29	Very low	104 Å²	104	125.9 Å²	125.9	68%	0.675	71%	0.708	S	S	*	*			cis	-157.2	177.5	29.2	46	-23.5	0	0	0	121.5
287	S	25.1	Very low	28.8	Very low	106 Å²	106	127.1 Å²	127.1	74%	0.741	71%	0.712	S	S	*	*			trans	69.1	157	149	77	0	0	0	0	118.3
288	T	24	Very low	29.7	Very low	131 Å²	131	125.5 Å²	125.5	80%	0.804	71%	0.709	S	S	*	*			cis	-119.3	-158.9	3.7	54.1	0	0	0	0	109.3
289	S	23.6	Very low	31	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	70%	0.698	S	S	*	*			cis	-155	159.4	4.4	58.2	0	0	0	0	114.1
290	Q	27.7	Very low	30.8	Very low	162 Å²	162	122.3 Å²	122.3	76%	0.757	71%	0.712	S	S	*	*			trans	-7.7	151.2	144.9	-61.4	-165.6	27.1	0	0	119.9
291	K	30.7	Very low	30.7	Very low	144 Å²	144	121.1 Å²	121.1	63%	0.626	71%	0.708	S	S	*	*			cis	-165.3	148.1	7.7	-129.4	-177.1	171.8	-137.1	0	113.5
292	E	29.6	Very low	30.8	Very low	105 Å²	105	123.5 Å²	123.5	49%	0.491	71%	0.712	S	S	.	*			trans	57.3	154.6	142.7	-80.2	174.7	154.2	0	0	121.5	R294	E292-R294 IonicContact OE1-CZ 3.33Å; E292-R294 IonicContact OE1-NH1 2.71Å; E292-R294 PolarHBondContact OE1-NH1 3.46Å; E292-R294 IonicContact OE1-NH2 3.03Å; E292-R294 PolarHBondContact OE1-NH2 3.28Å
293	L	29.2	Very low	30.5	Very low	131 Å²	131	123.4 Å²	123.4	69%	0.686	71%	0.712	S	S	*	*			cis	-126.7	123.5	-4.3	-96.7	118	0	0	0	109
294	R	28.8	Very low	30.3	Very low	165 Å²	165	124 Å²	124	62%	0.623	72%	0.716	S	S	*	*				75.2	116.2	102.3	-66.7	-153.6	179.6	74.9	6.9	115.1	E292	E292-R294 IonicContact OE1-CZ 3.33Å; E292-R294 IonicContact OE1-NH1 2.71Å; E292-R294 PolarHBondContact OE1-NH1 3.46Å; E292-R294 IonicContact OE1-NH2 3.03Å; E292-R294 PolarHBondContact OE1-NH2 3.28Å
295	I	30.1	Very low	30.4	Very low	129 Å²	129	124.7 Å²	124.7	66%	0.662	72%	0.715	S	S	*	*				78.4	138.4	66.9	-71.6	170.7	0	0	0	110.4
296	D	24.3	Very low	30.7	Very low	141 Å²	141	123.9 Å²	123.9	75%	0.754	71%	0.713	S	S	*	*			cis	-108.6	158.2	9.9	-78.5	-74.2	0	0	0	113.1
297	V	27.2	Very low	30	Very low	114 Å²	114	124.9 Å²	124.9	69%	0.691	72%	0.716	S	S	*	*			cis	99.3	139.9	25.7	171.8	0	0	0	0	113.8
298	P	44.6	Very low	30	Very low	113 Å²	113	130.2 Å²	130.2	73%	0.734	72%	0.72	S	S	*	*			trans	-112.3	-118.2	-161.2	24.8	1.3	0	0	0	110.2
299	P	52.8	Low	30.2	Very low	97 Å²	97	131.5 Å²	131.5	63%	0.63	72%	0.715	S	S	*	*			cis	-134.8	-149.5	-30.2	33.9	-10.2	0	0	0	113
300	T	24.2	Very low	30.2	Very low	133 Å²	133	134.3 Å²	134.3	82%	0.816	72%	0.717	S	S	*	*			trans	82.3	158.1	163.8	75	0	0	0	0	118.5
301	A	27.3	Very low	30.1	Very low	76 Å²	76	131.3 Å²	131.3	63%	0.628	71%	0.713	S	S	*	*			cis	-173.7	174	-35.8	0	0	0	0	0	109.6
302	N	26.9	Very low	30	Very low	161 Å²	161	133.6 Å²	133.6	86%	0.861	72%	0.723	S	S	*	*			trans	94.6	133.5	158	-53.6	-27	0	0	0	120.4
303	T	24.7	Very low	30	Very low	133 Å²	133	139 Å²	139	82%	0.816	74%	0.739	S	S	*	*			trans	-80.2	178.5	165.1	26.9	0	0	0	0	111.7
304	P	36.9	Very low	30.1	Very low	117 Å²	117	143.3 Å²	143.3	76%	0.76	75%	0.746	S	S	*	*			cis	-131.3	-161	3.6	33.8	-10.6	0	0	0	115.1
305	T	28.8	Very low	30.2	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	74%	0.743	S	S	*	*			trans	-59.2	169.6	168.1	41.7	0	0	0	0	113.7
306	P	37.3	Very low	30.1	Very low	112 Å²	112	140 Å²	140	73%	0.727	75%	0.748	S	S	*	*			cis	-154.7	-178.3	34.7	45.4	-23.2	0	0	0	121
307	V	25.6	Very low	30.3	Very low	124 Å²	124	140 Å²	140	75%	0.752	75%	0.748	S	S	*	*			trans	71.5	98.3	143.9	162.4	0	0	0	0	121.1
308	R	25.5	Very low	30.3	Very low	219 Å²	219	143.6 Å²	143.6	83%	0.826	76%	0.755	S	S	*	*				82.8	141.3	116.2	-162.7	-179.5	-168.2	-178.1	6	121.5
309	K	28.1	Very low	29.5	Very low	158 Å²	158	144.3 Å²	144.3	69%	0.687	76%	0.757	S	S	*	*			trans	94.6	106.3	153.4	-102.3	-179.8	176.9	-175.3	0	121
310	Q	24.5	Very low	28.4	Very low	160 Å²	160	144.1 Å²	144.1	75%	0.748	76%	0.758	S	S	*	*				73.3	103.7	126	-76.7	176.1	-38.5	0	0	122.8
311	S	25.2	Very low	28.7	Very low	98 Å²	98	149.2 Å²	149.2	69%	0.685	76%	0.762	S	S	*	*				84.6	136.8	107.8	-153.6	0	0	0	0	121.1
312	K	29.2	Very low	28.9	Very low	193 Å²	193	155.2 Å²	155.2	84%	0.839	77%	0.774	S	S	*	*			trans	70.1	155.2	166.1	-66.1	161.8	-175.2	175.5	0	115.9
313	R	29.3	Very low	28.9	Very low	219 Å²	219	150.7 Å²	150.7	83%	0.826	77%	0.765	S	S	*	*			cis	-172.4	162.1	-26.7	-173.3	-178.6	-177	-148.3	3.7	106.3
314	R	31.2	Very low	28.9	Very low	220 Å²	220	150.4 Å²	150.4	83%	0.83	77%	0.769	S	S	*	*			trans	76	157.1	170	-78.8	-177	152.5	-173.7	-7.3	116.3
315	S	31	Very low	28.5	Very low	78 Å²	78	152 Å²	152	55%	0.545	77%	0.771	S	S	.	*			cis	-177.9	144.1	-37.4	50.9	0	0	0	0	111
316	N	28.1	Very low	28.8	Very low	146 Å²	146	151 Å²	151	78%	0.781	77%	0.767	S	S	*	*			trans	41.2	114.5	141.4	-50.8	14.8	0	0	0	119.9
317	L	28.6	Very low	28.3	Very low	142 Å²	142	153.1 Å²	153.1	74%	0.743	77%	0.772	S	S	*	*				-168.5	152.2	118.6	-117.8	62.1	0	0	0	106.3
318	F	27.7	Very low	28.6	Very low	190 Å²	190	156.3 Å²	156.3	83%	0.833	78%	0.775	S	S	*	*			cis	-121.3	172	21.5	-79.4	-98.5	0	0	0	114.3
319	T	27.5	Very low	28.8	Very low	128 Å²	128	154.4 Å²	154.4	79%	0.785	78%	0.776	S	S	*	*			trans	-146.6	153.6	177.2	52.6	0	0	0	0	113.5
320	S	28.2	Very low	28.9	Very low	92 Å²	92	155.9 Å²	155.9	64%	0.643	78%	0.783	S	S	*	*			trans	73.8	124.7	146.6	-162.2	0	0	0	0	121.5
321	R	31	Very low	29.5	Very low	241 Å²	241	156.2 Å²	156.2	91%	0.909	78%	0.781	S	S	*	*				-176.7	134.7	108.8	-87.5	156.8	-168	-147.8	3.7	107.6
322	K	31.4	Very low	29.4	Very low	202 Å²	202	155 Å²	155	88%	0.878	78%	0.784	S	S	*	*			cis	92.1	116.6	13.2	-163.7	-172.3	176.7	-173.4	0	117.2
323	G	27.2	Very low	29.3	Very low	66 Å²	66	152.6 Å²	152.6	68%	0.68	78%	0.78	S	S	*	*			trans	151	149.6	153.1	0	0	0	0	0	112.8
324	S	25.1	Very low	29.3	Very low	126 Å²	126	147.6 Å²	147.6	88%	0.881	77%	0.766	S	S	*	*			cis	-171.5	156.5	-26.8	23.6	0	0	0	0	110.4
325	D	27.8	Very low	29.1	Very low	151 Å²	151	143 Å²	143	81%	0.807	77%	0.767	S	S	*	*			trans	-108.4	148.8	-173.8	-173.9	36.9	0	0	0	111.5
326	P	35.3	Very low	29.1	Very low	106 Å²	106	148 Å²	148	69%	0.688	77%	0.774	S	S	*	*			trans	-141.5	159.9	135.8	40.1	-27	0	0	0	113.2
327	D	26.7	Very low	29	Very low	157 Å²	157	145.4 Å²	145.4	84%	0.84	77%	0.773	S	S	*	*			cis	-150	176	14.1	-141.3	-33.7	0	0	0	112.9
328	K	32.1	Very low	29.1	Very low	190 Å²	190	145.1 Å²	145.1	83%	0.826	77%	0.772	S	S	*	*			trans	-152.6	123.7	-165.9	-157.5	-177.1	-153.6	164.1	0	114.8
329	E	29.6	Very low	29.4	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	77%	0.772	S	S	*	*			trans	-168.4	152.8	146.9	-108	176.1	-146.1	0	0	108.5
330	K	30.1	Very low	29.4	Very low	189 Å²	189	143 Å²	143	82%	0.822	77%	0.773	S	S	*	*			cis	-145.5	155.2	38.6	-143.8	170	-168.5	170.8	0	111.9
331	K	36.3	Very low	29.2	Very low	166 Å²	166	142.3 Å²	142.3	72%	0.722	78%	0.78	S	S	*	*			trans	-134.9	144.6	173.5	-103.7	-166	173.9	-166.7	0	111.9
332	G	24.2	Very low	29.7	Very low	72 Å²	72	137.4 Å²	137.4	74%	0.742	78%	0.782	S	S	*	*			trans	-127.1	111.5	145.7	0	0	0	0	0	106.1
333	L	27.1	Very low	30.2	Very low	143 Å²	143	130.7 Å²	130.7	75%	0.749	77%	0.77	S	S	*	*				75.3	133.4	71.7	-90.5	93	0	0	0	113.9
334	E	30.3	Very low	31.4	Very low	115 Å²	115	133.9 Å²	133.9	54%	0.537	76%	0.762	S	S	.	*			cis	-169.8	158.2	-38.6	-123.3	173.7	177.9	0	0	109.4	R336	E334-R336 HydrophobicContact CG-CG 4.24Å; E334-R336 WeakPolarHBondContact OE1-CD 3.45Å; E334-R336 IonicContact OE1-CZ 2.81Å; E334-R336 IonicContact OE1-NE 2.81Å; E334-R336 IonicContact OE1-NH1 2.74Å; E334-R336 PolarHBondContact OE1-NH1 3.17Å
335	S	26.1	Very low	32.8	Very low	123 Å²	123	130.9 Å²	130.9	86%	0.86	75%	0.745	S	S	*	*				-160.3	139.5	127.4	-167	0	0	0	0	109.3
336	R	30.7	Very low	34.8	Very low	183 Å²	183	129.9 Å²	129.9	69%	0.691	74%	0.738	S	S	*	*			trans	-151.5	141.6	-168.3	-67.6	165.5	81.3	-168.3	-0.9	111.9	E334	E334-R336 HydrophobicContact CG-CG 4.24Å; E334-R336 WeakPolarHBondContact OE1-CD 3.45Å; E334-R336 IonicContact OE1-CZ 2.81Å; E334-R336 IonicContact OE1-NE 2.81Å; E334-R336 IonicContact OE1-NH1 2.74Å; E334-R336 PolarHBondContact OE1-NH1 3.17Å
337	A	27	Very low	36.9	Very low	91 Å²	91	125.6 Å²	125.6	75%	0.752	71%	0.71	S	S	*	*			trans	-170.3	136	143.9	0	0	0	0	0	107
338	D	28.9	Very low	39.6	Very low	137 Å²	137	122.8 Å²	122.8	73%	0.733	69%	0.694	S	S	*	*			cis	-149.7	171.1	-10	-113.3	-35.8	0	0	0	110
339	S	34	Very low	42.2	Very low	117 Å²	117	116.3 Å²	116.3	82%	0.818	67%	0.666	S	S	*	*			trans	-135.8	96.8	177.3	-59.6	0	0	0	0	111.8
340	I	27.9	Very low	45.1	Very low	157 Å²	157	112.5 Å²	112.5	81%	0.805	65%	0.648	S	S	*	*			trans	-136	130.3	175.8	-66.1	179.2	0	0	0	109.5
341	G	25.3	Very low	48	Very low	77 Å²	77	104.2 Å²	104.2	79%	0.794	62%	0.617	S	S	*	*			trans	95.4	144.4	164.9	0	0	0	0	0	115.7
342	S	41.5	Very low	50.5	Low	137 Å²	137	99.2 Å²	99.2	96%	0.958	60%	0.597	S	S	*	*	S	Bend	trans	-86.5	109.3	164.3	-177.4	0	0	0	0	108.5
343	G	41.6	Very low	53.7	Low	61 Å²	61	95.9 Å²	95.9	63%	0.629	56%	0.562	S	S	*	*	S	Bend	trans	137.3	117.3	165.7	0	0	0	0	0	116.4
344	R	51.7	Low	56.7	Low	133 Å²	133	91.5 Å²	91.5	50%	0.502	54%	0.539	S	S	.	.	S	Bend	trans	68.7	156.4	162.3	-51.9	-174.5	-168.2	154.5	7.7	117	Y387 M388	R344-Y387 PolarHBondContact NH1-O 3.3Å; R344-M388 PolarHBondContact NH1-O 3.45Å; R344-M388 PolarHBondContact NH2-O 2.98Å
345	A	55.4	Low	59.6	Low	63 Å²	63	87.4 Å²	87.4	52%	0.521	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-67	139.1	174.6	0	0	0	0	0	110.7	P347	A345-P347 WeakPolarHBondContact O-CD 3.45Å
346	I	69.8	Low	62.5	Low	131 Å²	131	83.9 Å²	83.9	67%	0.672	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-78.8	120.7	179.7	-57.9	175.6	0	0	0	108.2
347	P	78.9	Confident	64.6	Low	16 Å²	16	77.1 Å²	77.1	10%	0.104	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-73.2	134.9	179.7	29.5	-34	0	0	0	111.4	A345 K349 Q350 T371 L372	A345-P347 WeakPolarHBondContact O-CD 3.45Å; P347-K349 PolarHBondContact O-N 3.16Å; P347-Q350 HydrophobicContact CG-CB 4.05Å; P347-Q350 HydrophobicContact CG-CG 4.25Å; P347-Q350 VanDerWaalsContact CG-OE1 3.25Å; P347-T371 HydrophobicContact CB-CG2 4.45Å; P347-T371 HydrophobicContact CG-CG2 4.33Å; P347-L372 CarbonylContact C-O 3.57Å; P347-L372 VanDerWaalsContact CA-O 3.26Å; P347-L372 WeakPolarHBondContact CA-O 3.25Å; P347-L372 VanDerWaalsContact CB-O 3.28Å; P347-L372 WeakPolarHBondContact CB-O 3.38Å
348	I	83.4	Confident	66.3	Low	98 Å²	98	76.4 Å²	76.4	50%	0.503	47%	0.47	S	S	.	.	S	Bend	trans	-53.6	-38.4	173.7	-69.4	178.4	0	0	0	111.5	L372 D374 Q533	I348-L372 HydrophobicContact CG2-CD2 4.49Å; I348-L372 PolarHBondContact N-O 2.84Å; I348-D374 HydrophobicContact CD1-CB 3.85Å; I348-D374 HydrophobicContact CG1-CB 4.24Å; I348-Q533 VanDerWaalsContact CD1-OE1 3.24Å
349	K	87.1	Confident	67.5	Low	53 Å²	53	80 Å²	80	23%	0.23	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139	175.9	-164.9	179.8	177.8	91.4	0	110.5	P347 T371 L372 A525 W526 A529	P347-K349 PolarHBondContact O-N 3.16Å; K349-T371 CarbonylContact O-C 3.55Å; K349-T371 WeakPolarHBondContact O-CA 3.43Å; K349-L372 HydrophobicContact CB-CB 4.21Å; K349-L372 HydrophobicContact CB-CD2 4.38Å; K349-L372 PolarHBondContact N-O 3.47Å; K349-L372 PolarHBondContact O-N 2.9Å; K349-A525 WeakPolarHBondContact CD-O 3.37Å; K349-A525 WeakPolarHBondContact CE-O 3.34Å; K349-A525 PolarHBondContact NZ-O 3.33Å; K349-W526 HydrophobicContact CB-CH2 4.25Å; K349-W526 HydrophobicContact CB-CZ3 4.13Å; K349-W526 HydrophobicContact CD-CD2 3.62Å; K349-W526 HydrophobicContact CD-CE3 3.64Å; K349-W526 HydrophobicContact CD-CG 4.13Å; K349-W526 HydrophobicContact CD-CH2 4.26Å; K349-W526 HydrophobicContact CD-CZ2 4.26Å; K349-W526 HydrophobicContact CD-CZ3 3.96Å; K349-W526 VanDerWaalsContact CE-CG 3.47Å; K349-W526 HydrophobicContact CG-CD2 4.34Å; K349-W526 HydrophobicContact CG-CE3 4.23Å; K349-W526 HydrophobicContact CG-CH2 3.95Å; K349-W526 HydrophobicContact CG-CZ2 4.07Å; K349-W526 HydrophobicContact CG-CZ3 4.03Å; K349-A529 HydrophobicContact CD-CB 3.71Å
350	Q	90.8	Very high	68.1	Low	100 Å²	100	77 Å²	77	47%	0.467	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.7	177.8	58.8	-174.5	-5.2	0	0	111.4	P347 Y369 V370 T371	P347-Q350 HydrophobicContact CG-CB 4.05Å; P347-Q350 HydrophobicContact CG-CG 4.25Å; P347-Q350 VanDerWaalsContact CG-OE1 3.25Å; Q350-Y369 PolarHBondContact OE1-OH 3.49Å; Q350-V370 VanDerWaalsContact CA-O 3.28Å; Q350-V370 WeakPolarHBondContact CA-O 3.44Å; Q350-T371 HydrophobicContact CB-CG2 3.95Å
351	G	89.6	Confident	69.2	Low	16 Å²	16	78.3 Å²	78.3	17%	0.165	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.8	-172.7	-175	0	0	0	0	0	113.8	Y369 V370	G351-Y369 WeakPolarHBondContact O-CA 3.37Å; G351-Y369 WeakPolarHBondContact O-CD2 3.32Å; G351-V370 PolarHBondContact N-O 3.29Å; G351-V370 PolarHBondContact O-N 3.09Å
352	M	90.1	Very high	70.5	Confident	61 Å²	61	80.8 Å²	80.8	30%	0.3	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	111.4	-179.8	-68	-68.5	-50.3	0	0	111	K367 K368 Y369	M352-K367 HydrophobicContact CB-CG 4.5Å; M352-K367 HydrophobicContact CE-CB 4.11Å; M352-K367 HydrophobicContact CE-CD 3.89Å; M352-K367 HydrophobicContact CE-CG 3.65Å; M352-K368 CarbonylContact C-O 3.53Å; M352-K368 VanDerWaalsContact CA-O 3.32Å; M352-K368 WeakPolarHBondContact CA-O 3.45Å; M352-Y369 HydrophobicContact CG-CD2 4.35Å; M352-Y369 HydrophobicContact SD-CD2 3.62Å; M352-Y369 HydrophobicContact SD-CG 4.22Å
353	L	91.4	Very high	71.6	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.005	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	152.4	176.1	-65.3	175.6	0	0	0	111.6	K367 K368 V370 F503 F515 A517 W526	L353-K367 CarbonylContact O-C 3.59Å; L353-K367 WeakPolarHBondContact O-CA 3.25Å; L353-K368 PolarHBondContact N-O 3.47Å; L353-K368 PolarHBondContact O-N 3.46Å; L353-V370 HydrophobicContact CB-CG2 3.95Å; L353-V370 HydrophobicContact CD1-CB 4.31Å; L353-V370 HydrophobicContact CD1-CG1 4.36Å; L353-V370 HydrophobicContact CD1-CG2 4.1Å; L353-V370 HydrophobicContact CG-CG2 4.23Å; L353-F503 HydrophobicContact CD1-CE1 3.89Å; L353-F503 HydrophobicContact CD1-CZ 3.67Å; L353-F503 HydrophobicContact CD2-CE1 4.41Å; L353-F515 HydrophobicContact CB-CD1 4.13Å; L353-F515 HydrophobicContact CD1-CB 4.37Å; L353-F515 HydrophobicContact CD1-CD1 4.14Å; L353-F515 HydrophobicContact CD1-CG 4.45Å; L353-A517 HydrophobicContact CD2-CB 3.86Å; L353-W526 HydrophobicContact CD1-CD2 3.99Å; L353-W526 HydrophobicContact CD1-CE3 4.48Å; L353-W526 HydrophobicContact CD1-CG 4.18Å; L353-W526 HydrophobicContact CD1-CZ2 4.47Å; L353-W526 HydrophobicContact CD2-CG 4.48Å
354	L	90.1	Very high	73.4	Confident	52 Å²	52	84 Å²	84	27%	0.272	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.3	164.2	-70.2	169.7	0	0	0	108.5	W365 K367 F515 E516	L354-W365 HydrophobicContact CB-CE3 4.11Å; L354-K367 HydrophobicContact CD2-CB 4.2Å; L354-K367 HydrophobicContact CD2-CG 4.2Å; L354-F515 CarbonylContact O-C 3.56Å; L354-F515 VanDerWaalsContact O-CA 3.25Å; L354-F515 WeakPolarHBondContact O-CA 3.35Å; L354-E516 HydrophobicContact CB-CB 3.93Å; L354-E516 HydrophobicContact CB-CG 4.3Å; L354-E516 HydrophobicContact CD1-CG 4.12Å; L354-E516 PolarHBondContact N-O 2.89Å; L354-E516 PolarHBondContact O-N 3.12Å
355	K	90.6	Very high	74.9	Confident	29 Å²	29	81.2 Å²	81.2	13%	0.126	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.1	-176.8	-161.8	-80.7	163.4	-159.6	0	110	K366 K368 Y380 H514 F515	K355-K366 PolarHBondContact N-O 3.25Å; K355-K366 PolarHBondContact O-N 3.45Å; K355-K368 HydrophobicContact CB-CB 4.48Å; K355-K368 HydrophobicContact CB-CG 3.77Å; K355-Y380 HydrophobicContact CD-CE2 4.16Å; K355-Y380 HydrophobicContact CG-CD2 4.44Å; K355-Y380 HydrophobicContact CG-CE2 4.38Å; K355-H514 WeakPolarHBondContact CA-O 3.5Å; K355-F515 HydrophobicContact CB-CD1 4.04Å; K355-F515 HydrophobicContact CB-CE1 4.05Å; K355-F515 HydrophobicContact CG-CD1 3.74Å; K355-F515 HydrophobicContact CG-CE1 3.44Å; K355-F515 VanDerWaalsContact CG-CE1 3.44Å; K355-F515 HydrophobicContact CG-CZ 4.02Å
356	R	86.6	Confident	76.5	Confident	48 Å²	48	82.5 Å²	82.5	18%	0.181	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.1	-177	-154.8	160.4	65.6	-144.7	1.7	112	K363 W365 E502 H514	R356-K363 HydrophobicContact CG-CB 4.49Å; R356-W365 HydrophobicContact CB-CD2 3.89Å; R356-W365 HydrophobicContact CB-CE3 3.63Å; R356-W365 HydrophobicContact CB-CH2 4Å; R356-W365 HydrophobicContact CB-CZ2 4.26Å; R356-W365 HydrophobicContact CB-CZ3 3.69Å; R356-W365 HydrophobicContact CG-CD2 4.07Å; R356-W365 HydrophobicContact CG-CE3 4.33Å; R356-W365 HydrophobicContact CG-CZ2 4.43Å; R356-E502 IonicContact CZ-OE1 3.47Å; R356-E502 IonicContact CZ-OE2 2.92Å; R356-E502 VanDerWaalsContact NH1-CD 3.3Å; R356-E502 IonicContact NH1-OE1 2.99Å; R356-E502 PolarHBondContact NH1-OE1 3.46Å; R356-E502 IonicContact NH1-OE2 3.49Å; R356-E502 PolarHBondContact NH1-OE2 3.27Å; R356-E502 IonicContact NH2-OE1 3.38Å; R356-E502 PolarHBondContact NH2-OE1 2.9Å; R356-H514 HydrophobicContact CB-CB 3.86Å; R356-H514 PolarHBondContact N-O 3.34Å; R356-H514 VanDerWaalsContact N-O 3.09Å; R356-H514 PolarHBondContact NH2-CE1 3.29Å; R356-H514 VanDerWaalsContact NH2-CG 3.31Å; R356-H514 PolarHBondContact NH2-ND1 2.95Å
357	S	74.8	Confident	77.5	Confident	42 Å²	42	82 Å²	82	29%	0.294	42%	0.417	S	S	.	.			trans	-62.3	142	171.3	-177.8	0	0	0	0	111.3	S360 E364	S357-S360 VanDerWaalsContact CB-OG 3.24Å; S357-S360 WeakPolarHBondContact CB-OG 3.3Å; S357-S360 PolarHBondContact OG-OG 2.84Å; S357-E364 PolarHBondContact N-O 3.41Å
358	G	63.2	Low	78.1	Confident	76 Å²	76	83.2 Å²	83.2	78%	0.784	42%	0.421	S	S	*	.	S	Bend	trans	-118.8	11.2	177.6	0	0	0	0	0	114.1
359	K	53	Low	78.5	Confident	213 Å²	213	79.7 Å²	79.7	93%	0.926	40%	0.402	S	S	*	.	S	Bend	trans	-130.9	10.4	-177.4	-72.7	-162.6	173.7	-167.2	0	114.1
360	S	46.8	Very low	78.7	Confident	53 Å²	53	77.2 Å²	77.2	37%	0.371	39%	0.391	S	S	.	.	S	Bend	trans	-126	141.3	-175.7	49.3	0	0	0	0	111	S357 N362	S357-S360 VanDerWaalsContact CB-OG 3.24Å; S357-S360 WeakPolarHBondContact CB-OG 3.3Å; S357-S360 PolarHBondContact OG-OG 2.84Å; S360-N362 WeakPolarHBondContact CB-O 3.33Å; S360-N362 PolarHBondContact O-N 3.35Å; S360-N362 PolarHBondContact OG-O 3.37Å
361	L	50.7	Low	78.7	Confident	184 Å²	184	72.5 Å²	72.5	96%	0.963	37%	0.369	S	S	*	.	S	Bend	trans	-58.6	-32.5	174.5	-73.1	163.4	0	0	0	111.6
362	N	54.2	Low	78.7	Confident	130 Å²	130	71.8 Å²	71.8	70%	0.695	36%	0.361	S	S	*	.	S	Bend	trans	-85.6	124.3	168.7	-62.9	-2.8	0	0	0	109.9	S360 E364	S360-N362 WeakPolarHBondContact CB-O 3.33Å; S360-N362 PolarHBondContact O-N 3.35Å; S360-N362 PolarHBondContact OG-O 3.37Å; N362-E364 PolarHBondContact O-N 3.12Å
363	K	63.4	Low	78.4	Confident	165 Å²	165	69.7 Å²	69.7	72%	0.717	35%	0.352	S	S	*	.			trans	-77.3	54.9	179.6	-67	-179.6	-178.9	172.4	0	112.7	R356 W365	R356-K363 HydrophobicContact CG-CB 4.49Å; K363-W365 PolarHBondContact O-N 2.96Å
364	E	80.6	Confident	77.9	Confident	99 Å²	99	74.4 Å²	74.4	46%	0.463	38%	0.378	S	S	.	.			trans	-70.2	130	-174.1	-157.2	-169.1	152.8	0	0	112.5	S357 N362 K366	S357-E364 PolarHBondContact N-O 3.41Å; N362-E364 PolarHBondContact O-N 3.12Å; E364-K366 HydrophobicContact CG-CG 4.49Å; E364-K366 WeakPolarHBondContact OE1-CE 3.47Å; E364-K366 IonicContact OE1-NZ 2.62Å; E364-K366 PolarHBondContact OE1-NZ 3.09Å; E364-K366 WeakPolarHBondContact OE2-CE 3.43Å; E364-K366 IonicContact OE2-NZ 2.67Å; E364-K366 PolarHBondContact OE2-NZ 3.06Å
365	W	83.5	Confident	77.2	Confident	76 Å²	76	77.2 Å²	77.2	29%	0.288	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.4	168.7	-70.1	107.4	0	0	0	110.2	L354 R356 K363 E502 H514 E516	L354-W365 HydrophobicContact CB-CE3 4.11Å; R356-W365 HydrophobicContact CB-CD2 3.89Å; R356-W365 HydrophobicContact CB-CE3 3.63Å; R356-W365 HydrophobicContact CB-CH2 4Å; R356-W365 HydrophobicContact CB-CZ2 4.26Å; R356-W365 HydrophobicContact CB-CZ3 3.69Å; R356-W365 HydrophobicContact CG-CD2 4.07Å; R356-W365 HydrophobicContact CG-CE3 4.33Å; R356-W365 HydrophobicContact CG-CZ2 4.43Å; K363-W365 PolarHBondContact O-N 2.96Å; W365-E502 HydrophobicContact CH2-CB 4.49Å; W365-E502 HydrophobicContact CH2-CG 4.07Å; W365-H514 HydrophobicContact CH2-CB 4.18Å; W365-H514 HydrophobicContact CZ3-CB 4.41Å; W365-E516 VanDerWaalsContact CD2-OE2 3.24Å; W365-E516 VanDerWaalsContact CE2-OE2 3.27Å; W365-E516 HydrophobicContact CE3-CB 4.12Å; W365-E516 HydrophobicContact CH2-CB 3.78Å; W365-E516 HydrophobicContact CZ2-CB 4.34Å; W365-E516 HydrophobicContact CZ3-CB 3.64Å
366	K	88.2	Confident	76.8	Confident	90 Å²	90	75.9 Å²	75.9	39%	0.391	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.9	177.1	-59.3	-174	-168.3	-95	0	110.8	K355 E364	K355-K366 PolarHBondContact N-O 3.25Å; K355-K366 PolarHBondContact O-N 3.45Å; E364-K366 HydrophobicContact CG-CG 4.49Å; E364-K366 WeakPolarHBondContact OE1-CE 3.47Å; E364-K366 IonicContact OE1-NZ 2.62Å; E364-K366 PolarHBondContact OE1-NZ 3.09Å; E364-K366 WeakPolarHBondContact OE2-CE 3.43Å; E364-K366 IonicContact OE2-NZ 2.67Å; E364-K366 PolarHBondContact OE2-NZ 3.06Å
367	K	91.3	Very high	76.9	Confident	119 Å²	119	75 Å²	75	52%	0.517	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	139.6	175.8	-137.6	177.1	177	165	0	110.4	M352 L353 L354	M352-K367 HydrophobicContact CB-CG 4.5Å; M352-K367 HydrophobicContact CE-CB 4.11Å; M352-K367 HydrophobicContact CE-CD 3.89Å; M352-K367 HydrophobicContact CE-CG 3.65Å; L353-K367 CarbonylContact O-C 3.59Å; L353-K367 WeakPolarHBondContact O-CA 3.25Å; L354-K367 HydrophobicContact CD2-CB 4.2Å; L354-K367 HydrophobicContact CD2-CG 4.2Å
368	K	91.6	Very high	77.7	Confident	43 Å²	43	73 Å²	73	19%	0.187	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144.9	179	-63	-64.8	149.6	-127.5	0	110	M352 L353 K355 V370 Y380 H381	M352-K368 CarbonylContact C-O 3.53Å; M352-K368 VanDerWaalsContact CA-O 3.32Å; M352-K368 WeakPolarHBondContact CA-O 3.45Å; L353-K368 PolarHBondContact N-O 3.47Å; L353-K368 PolarHBondContact O-N 3.46Å; K355-K368 HydrophobicContact CB-CB 4.48Å; K355-K368 HydrophobicContact CB-CG 3.77Å; K368-V370 HydrophobicContact CB-CG2 4.35Å; K368-Y380 HydrophobicContact CD-CD2 4.49Å; K368-Y380 HydrophobicContact CG-CD2 4.23Å; K368-H381 WeakPolarHBondContact CA-O 3.47Å; K368-H381 WeakPolarHBondContact CB-O 3.33Å; K368-H381 VanDerWaalsContact CD-O 3.27Å; K368-H381 WeakPolarHBondContact CD-O 3.35Å
369	Y	90.8	Very high	79	Confident	24 Å²	24	70 Å²	70	9%	0.094	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.9	166.3	-169.7	-107.1	0	0	0	108.1	Q350 G351 M352 T371 Y380 H381 L384 Y387	Q350-Y369 PolarHBondContact OE1-OH 3.49Å; G351-Y369 WeakPolarHBondContact O-CA 3.37Å; G351-Y369 WeakPolarHBondContact O-CD2 3.32Å; M352-Y369 HydrophobicContact CG-CD2 4.35Å; M352-Y369 HydrophobicContact SD-CD2 3.62Å; M352-Y369 HydrophobicContact SD-CG 4.22Å; Y369-T371 HydrophobicContact CD1-CG2 3.95Å; Y369-T371 HydrophobicContact CE1-CG2 3.48Å; Y369-T371 VanDerWaalsContact CE1-CG2 3.48Å; Y369-Y380 CarbonylContact O-C 3.57Å; Y369-Y380 VanDerWaalsContact O-CA 3.28Å; Y369-Y380 WeakPolarHBondContact O-CA 3.44Å; Y369-H381 PolarHBondContact N-O 3.06Å; Y369-H381 PolarHBondContact O-N 2.87Å; Y369-L384 HydrophobicContact CD1-CD1 4.21Å; Y369-L384 HydrophobicContact CD2-CB 4.23Å; Y369-L384 HydrophobicContact CD2-CD1 4.3Å; Y369-L384 HydrophobicContact CE1-CD1 3.75Å; Y369-L384 HydrophobicContact CE2-CD1 3.86Å; Y369-L384 HydrophobicContact CG-CB 4.34Å; Y369-L384 HydrophobicContact CG-CD1 4.45Å; Y369-Y387 AromaticContact CD1-CD1 3.91Å; Y369-Y387 HydrophobicContact CD1-CD1 3.91Å; Y369-Y387 HydrophobicContact CD1-CD2 4.46Å; Y369-Y387 AromaticContact CD1-CG 3.78Å; Y369-Y387 HydrophobicContact CD1-CG 3.78Å; Y369-Y387 AromaticContact CE1-CD1 3.46Å; Y369-Y387 HydrophobicContact CE1-CD1 3.46Å; Y369-Y387 VanDerWaalsContact CE1-CD1 3.46Å; Y369-Y387 HydrophobicContact CE1-CD2 4.49Å; Y369-Y387 AromaticContact CE1-CE1 3.87Å; Y369-Y387 HydrophobicContact CE1-CE1 3.87Å; Y369-Y387 AromaticContact CE1-CG 3.8Å; Y369-Y387 HydrophobicContact CE1-CG 3.8Å
370	V	91.9	Very high	80.9	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.9	-174.2	-175.6	0	0	0	0	109.1	Q350 G351 L353 K368 L378 T379 F515 W526	Q350-V370 VanDerWaalsContact CA-O 3.28Å; Q350-V370 WeakPolarHBondContact CA-O 3.44Å; G351-V370 PolarHBondContact N-O 3.29Å; G351-V370 PolarHBondContact O-N 3.09Å; L353-V370 HydrophobicContact CB-CG2 3.95Å; L353-V370 HydrophobicContact CD1-CB 4.31Å; L353-V370 HydrophobicContact CD1-CG1 4.36Å; L353-V370 HydrophobicContact CD1-CG2 4.1Å; L353-V370 HydrophobicContact CG-CG2 4.23Å; K368-V370 HydrophobicContact CB-CG2 4.35Å; V370-L378 HydrophobicContact CG1-CD1 4.2Å; V370-L378 HydrophobicContact CG1-CD2 3.75Å; V370-L378 HydrophobicContact CG1-CG 3.98Å; V370-T379 WeakPolarHBondContact CA-O 3.36Å; V370-F515 HydrophobicContact CG2-CE1 4.1Å; V370-W526 HydrophobicContact CB-CH2 4.08Å; V370-W526 HydrophobicContact CB-CZ2 4.43Å; V370-W526 HydrophobicContact CG1-CH2 3.92Å; V370-W526 HydrophobicContact CG1-CZ3 4Å
371	T	90.3	Very high	83	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137	176.8	67.2	0	0	0	0	110.7	P347 K349 Q350 Y369 L378 T379 Y387	P347-T371 HydrophobicContact CB-CG2 4.45Å; P347-T371 HydrophobicContact CG-CG2 4.33Å; K349-T371 CarbonylContact O-C 3.55Å; K349-T371 WeakPolarHBondContact O-CA 3.43Å; Q350-T371 HydrophobicContact CB-CG2 3.95Å; Y369-T371 HydrophobicContact CD1-CG2 3.95Å; Y369-T371 HydrophobicContact CE1-CG2 3.48Å; Y369-T371 VanDerWaalsContact CE1-CG2 3.48Å; T371-L378 CarbonylContact O-C 3.47Å; T371-L378 WeakPolarHBondContact O-CA 3.39Å; T371-T379 PolarHBondContact N-O 2.85Å; T371-T379 PolarHBondContact O-N 3.14Å; T371-T379 PolarHBondContact OG1-OG1 2.97Å; T371-Y387 HydrophobicContact CG2-CD2 4.19Å; T371-Y387 HydrophobicContact CG2-CE1 4.3Å; T371-Y387 HydrophobicContact CG2-CE2 3.77Å
372	L	89.1	Confident	84.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.6	174.3	174.2	64.5	0	0	0	108.6	P347 I348 K349 L378 L398 W526 A529 I530 Q533	P347-L372 CarbonylContact C-O 3.57Å; P347-L372 VanDerWaalsContact CA-O 3.26Å; P347-L372 WeakPolarHBondContact CA-O 3.25Å; P347-L372 VanDerWaalsContact CB-O 3.28Å; P347-L372 WeakPolarHBondContact CB-O 3.38Å; I348-L372 HydrophobicContact CG2-CD2 4.49Å; I348-L372 PolarHBondContact N-O 2.84Å; K349-L372 HydrophobicContact CB-CB 4.21Å; K349-L372 HydrophobicContact CB-CD2 4.38Å; K349-L372 PolarHBondContact N-O 3.47Å; K349-L372 PolarHBondContact O-N 2.9Å; L372-L378 HydrophobicContact CD1-CB 4.19Å; L372-L378 HydrophobicContact CD1-CD1 4.43Å; L372-L398 HydrophobicContact CD1-CD1 3.35Å; L372-W526 HydrophobicContact CB-CZ3 4.19Å; L372-A529 HydrophobicContact CD2-CB 3.83Å; L372-I530 HydrophobicContact CD2-CG1 4.31Å; L372-Q533 HydrophobicContact CD1-CB 4.21Å; L372-Q533 HydrophobicContact CD1-CG 4.09Å; L372-Q533 HydrophobicContact CD2-CB 4.37Å
373	C	85.4	Confident	86.3	Confident	17 Å²	17	48.3 Å²	48.3	12%	0.115	24%	0.235	C	C	.	.			trans	-105	157.1	-179.5	-63.5	0	0	0	0	112.3	N375 G376 V377	C373-N375 VanDerWaalsContact C-N 3.28Å; C373-N375 WeakPolarHBondContact CB-OD1 3.42Å; C373-N375 PolarHBondContact O-N 3.45Å; C373-G376 PolarHBondContact O-N 2.92Å; C373-G376 VanDerWaalsContact O-N 3.16Å; C373-V377 PolarHBondContact N-O 3.25Å
374	D	79.3	Confident	87.1	Confident	101 Å²	101	44.4 Å²	44.4	54%	0.54	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.9	178.7	60.6	-21	0	0	0	114.1	I348 G376 Q533	I348-D374 HydrophobicContact CD1-CB 3.85Å; I348-D374 HydrophobicContact CG1-CB 4.24Å; D374-G376 PolarHBondContact O-N 3.23Å; D374-G376 VanDerWaalsContact O-N 3.16Å; D374-Q533 PolarHBondContact O-NE2 3.43Å
375	N	76.2	Confident	87.1	Confident	110 Å²	110	45.2 Å²	45.2	59%	0.588	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	2	171.2	71.8	-5	0	0	0	114.8	C373 V377	C373-N375 VanDerWaalsContact C-N 3.28Å; C373-N375 WeakPolarHBondContact CB-OD1 3.42Å; C373-N375 PolarHBondContact O-N 3.45Å; N375-V377 WeakPolarHBondContact OD1-CB 3.41Å; N375-V377 PolarHBondContact OD1-N 3.39Å
376	G	82.8	Confident	87.1	Confident	2 Å²	2	42.9 Å²	42.9	2%	0.021	22%	0.218	C	C	.	.	S	Bend	trans	82.7	11.4	-180	0	0	0	0	0	115.2	C373 D374 L398	C373-G376 PolarHBondContact O-N 2.92Å; C373-G376 VanDerWaalsContact O-N 3.16Å; D374-G376 PolarHBondContact O-N 3.23Å; D374-G376 VanDerWaalsContact O-N 3.16Å; G376-L398 WeakPolarHBondContact O-CB 3.17Å; G376-L398 WeakPolarHBondContact O-CG 3.46Å; G376-L398 PolarHBondContact O-N 2.85Å
377	V	87.8	Confident	86.7	Confident	29 Å²	29	40.3 Å²	40.3	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.4	175.6	-174.5	0	0	0	0	110.6	C373 N375 T379 E395	C373-V377 PolarHBondContact N-O 3.25Å; N375-V377 WeakPolarHBondContact OD1-CB 3.41Å; N375-V377 PolarHBondContact OD1-N 3.39Å; V377-T379 HydrophobicContact CG1-CG2 3.98Å; V377-E395 HydrophobicContact CG1-CB 3.89Å; V377-E395 HydrophobicContact CG1-CG 4.34Å
378	L	91.9	Very high	85.9	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.1	166.7	-177.9	150.7	0	0	0	109.5	V370 T371 L372 E395 I396 L398 I505 F515 W526 I530	V370-L378 HydrophobicContact CG1-CD1 4.2Å; V370-L378 HydrophobicContact CG1-CD2 3.75Å; V370-L378 HydrophobicContact CG1-CG 3.98Å; T371-L378 CarbonylContact O-C 3.47Å; T371-L378 WeakPolarHBondContact O-CA 3.39Å; L372-L378 HydrophobicContact CD1-CB 4.19Å; L372-L378 HydrophobicContact CD1-CD1 4.43Å; L378-E395 CarbonylContact O-C 3.56Å; L378-I396 HydrophobicContact CD2-CD1 4.07Å; L378-I396 PolarHBondContact N-O 2.78Å; L378-I396 PolarHBondContact O-N 3.44Å; L378-L398 HydrophobicContact CB-CD1 4.15Å; L378-L398 HydrophobicContact CB-CD2 4.1Å; L378-L398 HydrophobicContact CB-CG 4.19Å; L378-I505 HydrophobicContact CD1-CD1 4.16Å; L378-I505 HydrophobicContact CD2-CD1 4.44Å; L378-F515 HydrophobicContact CD2-CZ 4.31Å; L378-W526 HydrophobicContact CD1-CZ3 4.46Å; L378-I530 HydrophobicContact CD1-CD1 3.59Å; L378-I530 HydrophobicContact CD1-CG1 3.77Å
379	T	91.1	Very high	85.1	Confident	11 Å²	11	43.5 Å²	43.5	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	150.9	178.8	90.6	0	0	0	0	111.7	V370 T371 V377 H381 K394 E395	V370-T379 WeakPolarHBondContact CA-O 3.36Å; T371-T379 PolarHBondContact N-O 2.85Å; T371-T379 PolarHBondContact O-N 3.14Å; T371-T379 PolarHBondContact OG1-OG1 2.97Å; V377-T379 HydrophobicContact CG1-CG2 3.98Å; T379-H381 PolarHBondContact OG1-CE1 3.4Å; T379-H381 VanDerWaalsContact OG1-CE1 3.24Å; T379-H381 PolarHBondContact OG1-ND1 2.87Å; T379-K394 CarbonylContact C-O 3.56Å; T379-K394 VanDerWaalsContact CA-O 3.25Å; T379-K394 WeakPolarHBondContact CA-O 3.33Å; T379-E395 HydrophobicContact CG2-CG 4.04Å
380	Y	92.4	Very high	84.2	Confident	27 Å²	27	47.8 Å²	47.8	11%	0.106	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.7	172.8	65.8	-80.8	0	0	0	112.8	K355 K368 Y369 K394 I396 F515	K355-Y380 HydrophobicContact CD-CE2 4.16Å; K355-Y380 HydrophobicContact CG-CD2 4.44Å; K355-Y380 HydrophobicContact CG-CE2 4.38Å; K368-Y380 HydrophobicContact CD-CD2 4.49Å; K368-Y380 HydrophobicContact CG-CD2 4.23Å; Y369-Y380 CarbonylContact O-C 3.57Å; Y369-Y380 VanDerWaalsContact O-CA 3.28Å; Y369-Y380 WeakPolarHBondContact O-CA 3.44Å; Y380-K394 HydrophobicContact CD1-CB 4.11Å; Y380-K394 WeakPolarHBondContact CD1-O 3.37Å; Y380-K394 HydrophobicContact CD2-CB 4.43Å; Y380-K394 HydrophobicContact CE1-CB 3.63Å; Y380-K394 HydrophobicContact CE2-CB 4Å; Y380-K394 HydrophobicContact CE2-CD 4.07Å; Y380-K394 HydrophobicContact CG-CB 4.48Å; Y380-K394 PolarHBondContact N-O 3.13Å; Y380-K394 PolarHBondContact O-N 2.9Å; Y380-I396 HydrophobicContact CD1-CD1 4.25Å; Y380-I396 HydrophobicContact CD1-CG1 4.44Å; Y380-I396 HydrophobicContact CE1-CD1 3.96Å; Y380-I396 HydrophobicContact CE1-CG1 4.07Å; Y380-F515 HydrophobicContact CD1-CZ 4.16Å; Y380-F515 HydrophobicContact CG-CE1 4.49Å; Y380-F515 HydrophobicContact CG-CZ 4.38Å
381	H	90.6	Very high	83	Confident	7 Å²	7	50.4 Å²	50.4	3%	0.032	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.8	-169.2	-70.4	75.8	0	0	0	111.3	K368 Y369 T379 S383 D386 Y387 V391 G393	K368-H381 WeakPolarHBondContact CA-O 3.47Å; K368-H381 WeakPolarHBondContact CB-O 3.33Å; K368-H381 VanDerWaalsContact CD-O 3.27Å; K368-H381 WeakPolarHBondContact CD-O 3.35Å; Y369-H381 PolarHBondContact N-O 3.06Å; Y369-H381 PolarHBondContact O-N 2.87Å; T379-H381 PolarHBondContact OG1-CE1 3.4Å; T379-H381 VanDerWaalsContact OG1-CE1 3.24Å; T379-H381 PolarHBondContact OG1-ND1 2.87Å; H381-S383 VanDerWaalsContact C-N 3.32Å; H381-S383 PolarHBondContact O-N 2.94Å; H381-D386 HydrophobicContact CB-CB 4.33Å; H381-Y387 VanDerWaalsContact CD2-CA 3.48Å; H381-Y387 WeakPolarHBondContact CD2-CA 3.45Å; H381-Y387 AromaticContact CE1-CD2 3.67Å; H381-Y387 AromaticContact ND1-CD2 3.79Å; H381-V391 PolarHBondContact CD2-O 3.27Å; H381-G393 WeakPolarHBondContact CD2-CA 3.2Å; H381-G393 WeakPolarHBondContact NE2-CA 3.42Å
382	P	87.9	Confident	82.2	Confident	51 Å²	51	57 Å²	57	33%	0.331	30%	0.296	S	S	.	.	S	Bend	trans	-58.4	-39.6	177.6	-25.1	34.8	0	0	0	114.2	D386 H392	P382-D386 WeakPolarHBondContact CB-OD2 3.35Å; P382-D386 HydrophobicContact CG-CB 4.46Å; P382-D386 WeakPolarHBondContact CG-OD2 3.36Å; P382-H392 HydrophobicContact CG-CB 3.73Å
383	S	86.9	Confident	81.9	Confident	41 Å²	41	58.8 Å²	58.8	29%	0.287	31%	0.314	S	S	.	.	S	Bend	trans	-145.8	174	174.2	82.4	0	0	0	0	111.7	H381 H385 D386 Y387	H381-S383 VanDerWaalsContact C-N 3.32Å; H381-S383 PolarHBondContact O-N 2.94Å; S383-H385 PolarHBondContact O-N 3.46Å; S383-H385 WeakPolarHBondContact OG-CB 3.47Å; S383-H385 PolarHBondContact OG-N 3.09Å; S383-D386 VanDerWaalsContact CB-OD1 3.3Å; S383-D386 WeakPolarHBondContact CB-OD1 3.31Å; S383-D386 PolarHBondContact N-OD1 3.15Å; S383-D386 PolarHBondContact O-N 3.07Å; S383-D386 PolarHBondContact OG-N 2.54Å; S383-D386 PolarHBondContact OG-OD1 3.3Å; S383-Y387 PolarHBondContact O-N 2.85Å
384	L	78.8	Confident	82	Confident	82 Å²	82	63.9 Å²	63.9	43%	0.429	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-30.4	168.6	173.4	62.2	0	0	0	112.1	Y369 Y387 M388	Y369-L384 HydrophobicContact CD1-CD1 4.21Å; Y369-L384 HydrophobicContact CD2-CB 4.23Å; Y369-L384 HydrophobicContact CD2-CD1 4.3Å; Y369-L384 HydrophobicContact CE1-CD1 3.75Å; Y369-L384 HydrophobicContact CE2-CD1 3.86Å; Y369-L384 HydrophobicContact CG-CB 4.34Å; Y369-L384 HydrophobicContact CG-CD1 4.45Å; L384-Y387 HydrophobicContact CD1-CD1 4.17Å; L384-Y387 PolarHBondContact O-N 3.49Å; L384-M388 HydrophobicContact CD1-CG 4.26Å; L384-M388 HydrophobicContact CD1-SD 4.47Å; L384-M388 HydrophobicContact CG-SD 4.3Å; L384-M388 WeakPolarHBondContact O-CB 3.28Å; L384-M388 VanDerWaalsContact O-CG 3.31Å; L384-M388 WeakPolarHBondContact O-CG 3.33Å; L384-M388 PolarHBondContact O-N 3.5Å
385	H	80.9	Confident	82.5	Confident	116 Å²	116	66 Å²	66	54%	0.537	34%	0.341	S	S	.	.	H	α-helix	trans	-71.7	-43.4	179.5	-165.6	62.2	0	0	0	111.4	S383 Y387 M388 Q389	S383-H385 PolarHBondContact O-N 3.46Å; S383-H385 WeakPolarHBondContact OG-CB 3.47Å; S383-H385 PolarHBondContact OG-N 3.09Å; H385-Y387 VanDerWaalsContact C-N 3.3Å; H385-Y387 PolarHBondContact O-N 3.04Å; H385-M388 CarbonylContact O-C 3.42Å; H385-M388 PolarHBondContact O-N 3.06Å; H385-M388 VanDerWaalsContact O-N 3.15Å; H385-Q389 PolarHBondContact CE1-NE2 3.09Å; H385-Q389 PolarHBondContact NE2-NE2 2.66Å; H385-Q389 PolarHBondContact O-N 2.75Å
386	D	83.4	Confident	83.1	Confident	28 Å²	28	61 Å²	61	15%	0.15	31%	0.314	C	S	.	.	H	α-helix	trans	-56.1	-44.9	171.7	-62.7	69.8	0	0	0	111.1	H381 P382 S383 Q389 N390 V391 H392	H381-D386 HydrophobicContact CB-CB 4.33Å; P382-D386 WeakPolarHBondContact CB-OD2 3.35Å; P382-D386 HydrophobicContact CG-CB 4.46Å; P382-D386 WeakPolarHBondContact CG-OD2 3.36Å; S383-D386 VanDerWaalsContact CB-OD1 3.3Å; S383-D386 WeakPolarHBondContact CB-OD1 3.31Å; S383-D386 PolarHBondContact N-OD1 3.15Å; S383-D386 PolarHBondContact O-N 3.07Å; S383-D386 PolarHBondContact OG-N 2.54Å; S383-D386 PolarHBondContact OG-OD1 3.3Å; D386-Q389 CarbonylContact O-C 3.54Å; D386-Q389 PolarHBondContact O-N 3.05Å; D386-N390 PolarHBondContact O-N 3.12Å; D386-V391 HydrophobicContact CB-CG2 4.22Å; D386-V391 PolarHBondContact O-N 3.15Å; D386-H392 IonicContact OD2-CG 3.97Å; D386-H392 IonicContact OD2-ND1 3.29Å; D386-H392 PolarHBondContact OD2-ND1 3.49Å
387	Y	80.1	Confident	83.2	Confident	35 Å²	35	64.9 Å²	64.9	14%	0.137	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-52.4	172.4	173	-108.3	0	0	0	111.3	R344 Y369 T371 H381 S383 L384 H385 Q389 N390	R344-Y387 PolarHBondContact NH1-O 3.3Å; Y369-Y387 AromaticContact CD1-CD1 3.91Å; Y369-Y387 HydrophobicContact CD1-CD1 3.91Å; Y369-Y387 HydrophobicContact CD1-CD2 4.46Å; Y369-Y387 AromaticContact CD1-CG 3.78Å; Y369-Y387 HydrophobicContact CD1-CG 3.78Å; Y369-Y387 AromaticContact CE1-CD1 3.46Å; Y369-Y387 HydrophobicContact CE1-CD1 3.46Å; Y369-Y387 VanDerWaalsContact CE1-CD1 3.46Å; Y369-Y387 HydrophobicContact CE1-CD2 4.49Å; Y369-Y387 AromaticContact CE1-CE1 3.87Å; Y369-Y387 HydrophobicContact CE1-CE1 3.87Å; Y369-Y387 AromaticContact CE1-CG 3.8Å; Y369-Y387 HydrophobicContact CE1-CG 3.8Å; T371-Y387 HydrophobicContact CG2-CD2 4.19Å; T371-Y387 HydrophobicContact CG2-CE1 4.3Å; T371-Y387 HydrophobicContact CG2-CE2 3.77Å; H381-Y387 VanDerWaalsContact CD2-CA 3.48Å; H381-Y387 WeakPolarHBondContact CD2-CA 3.45Å; H381-Y387 AromaticContact CE1-CD2 3.67Å; H381-Y387 AromaticContact ND1-CD2 3.79Å; S383-Y387 PolarHBondContact O-N 2.85Å; L384-Y387 HydrophobicContact CD1-CD1 4.17Å; L384-Y387 PolarHBondContact O-N 3.49Å; H385-Y387 VanDerWaalsContact C-N 3.3Å; H385-Y387 PolarHBondContact O-N 3.04Å; Y387-Q389 PolarHBondContact O-N 2.7Å; Y387-Q389 VanDerWaalsContact O-N 3.12Å; Y387-N390 PolarHBondContact O-N 3.11Å
388	M	75.8	Confident	83.2	Confident	121 Å²	121	63.5 Å²	63.5	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-58.9	-25.5	177.9	-73.1	-178.1	75.1	0	0	113.5	R344 L384 H385	R344-M388 PolarHBondContact NH1-O 3.45Å; R344-M388 PolarHBondContact NH2-O 2.98Å; L384-M388 HydrophobicContact CD1-CG 4.26Å; L384-M388 HydrophobicContact CD1-SD 4.47Å; L384-M388 HydrophobicContact CG-SD 4.3Å; L384-M388 WeakPolarHBondContact O-CB 3.28Å; L384-M388 VanDerWaalsContact O-CG 3.31Å; L384-M388 WeakPolarHBondContact O-CG 3.33Å; L384-M388 PolarHBondContact O-N 3.5Å; H385-M388 CarbonylContact O-C 3.42Å; H385-M388 PolarHBondContact O-N 3.06Å; H385-M388 VanDerWaalsContact O-N 3.15Å
389	Q	73.6	Confident	82.5	Confident	108 Å²	108	66.6 Å²	66.6	51%	0.505	34%	0.342	S	S	.	.	H	α-helix	trans	-93.4	-6.7	174.8	-73.9	173	-16.4	0	0	114.5	H385 D386 Y387 V391	H385-Q389 PolarHBondContact CE1-NE2 3.09Å; H385-Q389 PolarHBondContact NE2-NE2 2.66Å; H385-Q389 PolarHBondContact O-N 2.75Å; D386-Q389 CarbonylContact O-C 3.54Å; D386-Q389 PolarHBondContact O-N 3.05Å; Y387-Q389 PolarHBondContact O-N 2.7Å; Y387-Q389 VanDerWaalsContact O-N 3.12Å; Q389-V391 VanDerWaalsContact C-N 3.33Å; Q389-V391 HydrophobicContact CB-CG1 4.41Å; Q389-V391 HydrophobicContact CB-CG2 3.9Å
390	N	72.9	Confident	81.9	Confident	114 Å²	114	72.1 Å²	72.1	61%	0.61	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	38.5	-175.1	-154.7	62.3	0	0	0	113.6	D386 Y387	D386-N390 PolarHBondContact O-N 3.12Å; Y387-N390 PolarHBondContact O-N 3.11Å
391	V	65.6	Low	81.5	Confident	57 Å²	57	71.3 Å²	71.3	35%	0.345	36%	0.36	S	S	.	.			trans	-118.8	150.4	-179.4	-64.1	0	0	0	0	111.3	H381 D386 Q389 G393	H381-V391 PolarHBondContact CD2-O 3.27Å; D386-V391 HydrophobicContact CB-CG2 4.22Å; D386-V391 PolarHBondContact O-N 3.15Å; Q389-V391 VanDerWaalsContact C-N 3.33Å; Q389-V391 HydrophobicContact CB-CG1 4.41Å; Q389-V391 HydrophobicContact CB-CG2 3.9Å; V391-G393 PolarHBondContact O-N 3.39Å
392	H	73	Confident	81.3	Confident	140 Å²	140	74 Å²	74	65%	0.648	38%	0.377	S	S	*	.	S	Bend	trans	56.2	11.8	178.4	-50.9	120.3	0	0	0	116.8	P382 D386	P382-H392 HydrophobicContact CG-CB 3.73Å; D386-H392 IonicContact OD2-CG 3.97Å; D386-H392 IonicContact OD2-ND1 3.29Å; D386-H392 PolarHBondContact OD2-ND1 3.49Å
393	G	83.2	Confident	81.4	Confident	36 Å²	36	72.4 Å²	72.4	37%	0.371	37%	0.366	S	S	.	.			trans	-60.8	152.6	173.4	0	0	0	0	0	113.1	H381 V391	H381-G393 WeakPolarHBondContact CD2-CA 3.2Å; H381-G393 WeakPolarHBondContact NE2-CA 3.42Å; V391-G393 PolarHBondContact O-N 3.39Å
394	K	87.8	Confident	81.4	Confident	125 Å²	125	75.9 Å²	75.9	54%	0.543	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.1	172.6	-67.7	-174.6	-179.7	180	0	109.8	T379 Y380	T379-K394 CarbonylContact C-O 3.56Å; T379-K394 VanDerWaalsContact CA-O 3.25Å; T379-K394 WeakPolarHBondContact CA-O 3.33Å; Y380-K394 HydrophobicContact CD1-CB 4.11Å; Y380-K394 WeakPolarHBondContact CD1-O 3.37Å; Y380-K394 HydrophobicContact CD2-CB 4.43Å; Y380-K394 HydrophobicContact CE1-CB 3.63Å; Y380-K394 HydrophobicContact CE2-CB 4Å; Y380-K394 HydrophobicContact CE2-CD 4.07Å; Y380-K394 HydrophobicContact CG-CB 4.48Å; Y380-K394 PolarHBondContact N-O 3.13Å; Y380-K394 PolarHBondContact O-N 2.9Å
395	E	89.5	Confident	81.6	Confident	146 Å²	146	72.9 Å²	72.9	68%	0.682	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	152.7	-170.6	-52.5	-168.2	145.8	0	0	111.5	V377 L378 T379	V377-E395 HydrophobicContact CG1-CB 3.89Å; V377-E395 HydrophobicContact CG1-CG 4.34Å; L378-E395 CarbonylContact O-C 3.56Å; T379-E395 HydrophobicContact CG2-CG 4.04Å
396	I	88.8	Confident	81.5	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.015	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	106.8	174.4	-53.8	-179.8	0	0	0	106.2	L378 Y380 L398 T401 I505 W513 F515	L378-I396 HydrophobicContact CD2-CD1 4.07Å; L378-I396 PolarHBondContact N-O 2.78Å; L378-I396 PolarHBondContact O-N 3.44Å; Y380-I396 HydrophobicContact CD1-CD1 4.25Å; Y380-I396 HydrophobicContact CD1-CG1 4.44Å; Y380-I396 HydrophobicContact CE1-CD1 3.96Å; Y380-I396 HydrophobicContact CE1-CG1 4.07Å; I396-L398 HydrophobicContact CG2-CD2 4.21Å; I396-L398 PolarHBondContact O-N 3.26Å; I396-T401 HydrophobicContact CG2-CG2 4.15Å; I396-I505 HydrophobicContact CD1-CD1 4.37Å; I396-I505 HydrophobicContact CG2-CG2 4.26Å; I396-W513 HydrophobicContact CD1-CB 3.91Å; I396-W513 HydrophobicContact CD1-CD2 3.59Å; I396-W513 HydrophobicContact CD1-CE3 4.17Å; I396-W513 HydrophobicContact CD1-CG 3.45Å; I396-W513 VanDerWaalsContact CD1-CG 3.45Å; I396-W513 HydrophobicContact CG1-CD2 4.15Å; I396-W513 HydrophobicContact CG1-CG 4.37Å; I396-W513 HydrophobicContact CG1-CZ2 4.35Å; I396-W513 HydrophobicContact CG2-CD2 4.42Å; I396-W513 HydrophobicContact CG2-CE3 4.13Å; I396-W513 HydrophobicContact CG2-CH2 4.12Å; I396-W513 HydrophobicContact CG2-CZ2 4.41Å; I396-W513 HydrophobicContact CG2-CZ3 3.98Å; I396-F515 HydrophobicContact CD1-CE2 4.06Å; I396-F515 HydrophobicContact CD1-CZ 4.19Å
397	D	86	Confident	80.6	Confident	84 Å²	84	72 Å²	72	45%	0.449	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	116.3	165.9	161.9	29.1	0	0	0	108.7	L399 T401	D397-L399 WeakPolarHBondContact OD1-CB 3.49Å; D397-L399 PolarHBondContact OD1-N 3.35Å; D397-T401 WeakPolarHBondContact O-CG2 3.44Å
398	L	86.8	Confident	79.7	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.397	C	S	.	.	S	Bend	trans	-82.1	-21.4	-178.1	-62.3	178	0	0	0	113.5	L372 G376 L378 I396 R400 T401 I505 I530 Q533 I534	L372-L398 HydrophobicContact CD1-CD1 3.35Å; G376-L398 WeakPolarHBondContact O-CB 3.17Å; G376-L398 WeakPolarHBondContact O-CG 3.46Å; G376-L398 PolarHBondContact O-N 2.85Å; L378-L398 HydrophobicContact CB-CD1 4.15Å; L378-L398 HydrophobicContact CB-CD2 4.1Å; L378-L398 HydrophobicContact CB-CG 4.19Å; I396-L398 HydrophobicContact CG2-CD2 4.21Å; I396-L398 PolarHBondContact O-N 3.26Å; L398-R400 PolarHBondContact O-N 2.91Å; L398-T401 WeakPolarHBondContact CA-OG1 3.25Å; L398-T401 PolarHBondContact O-N 2.9Å; L398-T401 PolarHBondContact O-OG1 2.85Å; L398-I505 HydrophobicContact CD2-CD1 4.45Å; L398-I505 HydrophobicContact CD2-CG2 4.45Å; L398-I530 HydrophobicContact CD1-CG2 3.93Å; L398-I530 HydrophobicContact CD2-CG2 3.84Å; L398-Q533 HydrophobicContact CD1-CB 4.37Å; L398-Q533 HydrophobicContact CD1-CG 4.17Å; L398-I534 HydrophobicContact CB-CG1 3.87Å
399	L	77.3	Confident	77.9	Confident	66 Å²	66	80.5 Å²	80.5	35%	0.346	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.5	-174.7	-174.1	69.3	0	0	0	112.6	D397	D397-L399 WeakPolarHBondContact OD1-CB 3.49Å; D397-L399 PolarHBondContact OD1-N 3.35Å
400	R	78.7	Confident	76.3	Confident	128 Å²	128	80.9 Å²	80.9	48%	0.483	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	34.2	-178.8	-50.1	-165.1	78.6	-151.4	4.3	112.4	L398 S507 L508	L398-R400 PolarHBondContact O-N 2.91Å; R400-S507 CarbonylContact O-C 3.5Å; R400-S507 WeakPolarHBondContact O-CA 3.37Å; R400-L508 HydrophobicContact CB-CD1 4.08Å; R400-L508 HydrophobicContact CB-CG 4.4Å; R400-L508 PolarHBondContact O-N 3.26Å
401	T	84.8	Confident	74.7	Confident	10 Å²	10	81.4 Å²	81.4	6%	0.061	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	168.1	178.3	68.3	0	0	0	0	113.7	I396 D397 L398 I505 V506 W513	I396-T401 HydrophobicContact CG2-CG2 4.15Å; D397-T401 WeakPolarHBondContact O-CG2 3.44Å; L398-T401 WeakPolarHBondContact CA-OG1 3.25Å; L398-T401 PolarHBondContact O-N 2.9Å; L398-T401 PolarHBondContact O-OG1 2.85Å; T401-I505 HydrophobicContact CG2-CG2 3.91Å; T401-V506 CarbonylContact C-O 3.57Å; T401-V506 VanDerWaalsContact CA-O 3.29Å; T401-V506 WeakPolarHBondContact CA-O 3.01Å; T401-W513 HydrophobicContact CG2-CZ3 4.39Å
402	T	86.1	Confident	73.1	Confident	63 Å²	63	89.8 Å²	89.8	39%	0.387	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.4	170.2	53.9	0	0	0	0	108.8	V506	T402-V506 PolarHBondContact N-O 3.27Å; T402-V506 PolarHBondContact O-N 2.85Å; T402-V506 PolarHBondContact OG1-O 2.92Å
403	V	89.2	Confident	71	Confident	18 Å²	18	88 Å²	88	11%	0.109	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	145.1	171.8	-167.5	0	0	0	0	109.3	F503 I504 V527 I530 E531 I534	V403-F503 HydrophobicContact CG1-CD2 3.96Å; V403-I504 CarbonylContact C-O 3.49Å; V403-V527 HydrophobicContact CB-CG1 4.48Å; V403-V527 HydrophobicContact CG1-CB 4.34Å; V403-V527 HydrophobicContact CG1-CG1 3.94Å; V403-V527 HydrophobicContact CG1-CG2 3.96Å; V403-I530 HydrophobicContact CG2-CB 3.94Å; V403-I530 HydrophobicContact CG2-CG2 3.35Å; V403-E531 HydrophobicContact CB-CG 4.19Å; V403-E531 HydrophobicContact CG2-CG 4.16Å; V403-I534 HydrophobicContact CG2-CD1 4.08Å
404	K	87.1	Confident	68.3	Low	113 Å²	113	92.4 Å²	92.4	49%	0.491	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	125.2	177.4	-60.4	-178.1	-174.8	175.5	0	110	I504 V506	K404-I504 PolarHBondContact N-O 3.41Å; K404-I504 PolarHBondContact O-N 2.9Å; K404-V506 HydrophobicContact CD-CG2 4.08Å
405	V	84.1	Confident	65.5	Low	20 Å²	20	92.1 Å²	92.1	12%	0.121	50%	0.501	C	S	.	.			trans	-93.9	124.5	167.7	-176.4	0	0	0	0	107.9	K408 F503 V527	V405-K408 HydrophobicContact CB-CB 4.35Å; V405-K408 HydrophobicContact CB-CD 4.15Å; V405-K408 HydrophobicContact CB-CG 4.39Å; V405-K408 HydrophobicContact CG1-CD 4.09Å; V405-K408 HydrophobicContact CG1-CG 4.27Å; V405-K408 PolarHBondContact O-N 2.83Å; V405-F503 HydrophobicContact CG2-CB 4.35Å; V405-V527 HydrophobicContact CG2-CG1 4.34Å; V405-V527 HydrophobicContact CG2-CG2 3.82Å
406	P	77.6	Confident	62.5	Low	38 Å²	38	89.5 Å²	89.5	25%	0.247	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	145.4	173.4	-26	36.2	0	0	0	112.1	K408 E502 I504	P406-K408 PolarHBondContact O-N 3.25Å; P406-E502 WeakPolarHBondContact CD-O 3.48Å; P406-E502 HydrophobicContact CG-CB 4.42Å; P406-E502 HydrophobicContact CG-CG 4.25Å; P406-I504 HydrophobicContact CG-CD1 4.09Å; P406-I504 HydrophobicContact CG-CG1 4.44Å
407	G	64.6	Low	59.5	Low	87 Å²	87	95.1 Å²	95.1	90%	0.897	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	-31.8	-178.6	0	0	0	0	0	116.2
408	K	62.2	Low	56.8	Low	99 Å²	99	95.1 Å²	95.1	43%	0.43	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-76.7	134.1	176.8	-68.3	-173.6	180	176.5	0	111.2	V405 P406 Y520 D524	V405-K408 HydrophobicContact CB-CB 4.35Å; V405-K408 HydrophobicContact CB-CD 4.15Å; V405-K408 HydrophobicContact CB-CG 4.39Å; V405-K408 HydrophobicContact CG1-CD 4.09Å; V405-K408 HydrophobicContact CG1-CG 4.27Å; V405-K408 PolarHBondContact O-N 2.83Å; P406-K408 PolarHBondContact O-N 3.25Å; K408-Y520 PolarHBondContact NZ-OH 2.85Å; K408-D524 IonicContact NZ-OD1 3.78Å; K408-D524 PolarHBondContact NZ-OD1 3.48Å; K408-D524 IonicContact NZ-OD2 3.78Å; K408-D524 PolarHBondContact NZ-OD2 2.73Å
409	R	38.4	Very low	54	Low	236 Å²	236	101.1 Å²	101.1	89%	0.891	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-75.1	142.6	170.8	-60.8	-176.1	-168.2	169.7	6.2	109.6
410	P	39.1	Very low	51.6	Low	116 Å²	116	105.6 Å²	105.6	75%	0.753	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-58.3	143.4	173.2	-23.9	34	0	0	0	112	R412	P410-R412 PolarHBondContact O-N 3.47Å
411	P	39.8	Very low	49.2	Very low	125 Å²	125	105 Å²	105	81%	0.812	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-55.7	131.4	171.7	-25.3	34.9	0	0	0	111.4	A413	P411-A413 PolarHBondContact O-N 3Å
412	R	30.6	Very low	46.5	Very low	232 Å²	232	108.9 Å²	108.9	88%	0.875	66%	0.659	S	S	*	*			trans	-77.8	113.6	176	-173.2	-177.6	-171.7	-172.6	2.3	108.5	P410 T414	P410-R412 PolarHBondContact O-N 3.47Å; R412-T414 PolarHBondContact O-N 3.26Å
413	A	29.6	Very low	43.9	Very low	103 Å²	103	111.6 Å²	111.6	85%	0.851	68%	0.678	S	S	*	*			trans	-58	105.5	178	0	0	0	0	0	111.3	P411	P411-A413 PolarHBondContact O-N 3Å
414	T	27.7	Very low	40.9	Very low	128 Å²	128	120.5 Å²	120.5	79%	0.785	72%	0.715	S	S	*	*			trans	-84.3	116.3	169.7	43.7	0	0	0	0	108.9	R412 A416	R412-T414 PolarHBondContact O-N 3.26Å; T414-A416 PolarHBondContact O-N 3.24Å
415	S	27.3	Very low	38.1	Very low	119 Å²	119	121.3 Å²	121.3	83%	0.832	73%	0.73	S	S	*	*			trans	-63.5	103.5	171.6	-177.5	0	0	0	0	109.6	C417	S415-C417 PolarHBondContact O-N 3.23Å
416	A	27	Very low	35.4	Very low	91 Å²	91	128.4 Å²	128.4	75%	0.752	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-70.6	121.6	171.3	0	0	0	0	0	109	T414 A418	T414-A416 PolarHBondContact O-N 3.24Å; A416-A418 PolarHBondContact O-N 3.42Å
417	C	26.9	Very low	33	Very low	122 Å²	122	130 Å²	130	82%	0.824	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-63.9	135.6	171.5	-68.3	0	0	0	0	109.7	S415	S415-C417 PolarHBondContact O-N 3.23Å
418	A	28.7	Very low	31.3	Very low	84 Å²	84	134.2 Å²	134.2	69%	0.694	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-63.5	137.3	175.7	0	0	0	0	0	110.6	A416 I420	A416-A418 PolarHBondContact O-N 3.42Å; A418-I420 PolarHBondContact O-N 3.1Å
419	P	27.6	Very low	29.6	Very low	125 Å²	125	133.7 Å²	133.7	81%	0.812	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.1	121.2	174.8	28.4	-33	0	0	0	110.2	S421	P419-S421 PolarHBondContact O-N 2.92Å
420	I	27.6	Very low	29.3	Very low	161 Å²	161	131.3 Å²	131.3	83%	0.826	80%	0.801	S	S	*	*			trans	-77.7	105.5	173.6	-58.9	173.6	0	0	0	108.4	A418 S422	A418-I420 PolarHBondContact O-N 3.1Å; I420-S422 PolarHBondContact O-N 2.94Å
421	S	27.3	Very low	28.7	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	80%	0.802	S	S	*	*			trans	-92.8	85.9	171	59	0	0	0	0	110.7	P419	P419-S421 PolarHBondContact O-N 2.92Å
422	S	28.1	Very low	28.3	Very low	92 Å²	92	134.6 Å²	134.6	64%	0.643	80%	0.803	S	S	*	*			trans	-81.1	146.4	165.4	50.8	0	0	0	0	111	I420	I420-S422 PolarHBondContact O-N 2.94Å
423	P	31.1	Very low	28.2	Very low	120 Å²	120	128.2 Å²	128.2	78%	0.779	79%	0.794	S	S	*	*			trans	-67.4	137	170.4	-15.7	30.1	0	0	0	110.5	T425	P423-T425 PolarHBondContact O-N 3.35Å
424	K	25.9	Very low	28	Very low	204 Å²	204	128.2 Å²	128.2	89%	0.887	79%	0.787	S	S	*	*			trans	-79	116	171.3	-70.4	-177.6	178.6	179.6	0	110.3
425	T	28.3	Very low	27.9	Very low	131 Å²	131	129.5 Å²	129.5	80%	0.804	79%	0.788	S	S	*	*			trans	-101.7	133.9	158.3	46.8	0	0	0	0	109.4	P423	P423-T425 PolarHBondContact O-N 3.35Å
426	N	28.3	Very low	27.9	Very low	169 Å²	169	131.6 Å²	131.6	90%	0.904	79%	0.785	S	S	*	*			trans	-83.1	130.5	166	-77.1	-16.8	0	0	0	108.2
427	G	28	Very low	27.8	Very low	72 Å²	72	135.2 Å²	135.2	74%	0.742	79%	0.79	S	S	*	*			trans	179.9	63.2	-175.1	0	0	0	0	0	116.6
428	L	28.9	Very low	27.7	Very low	174 Å²	174	134.3 Å²	134.3	91%	0.911	79%	0.785	S	S	*	*			trans	18.3	109.9	154.3	-74.6	158	0	0	0	120.8
429	A	26.2	Very low	28.5	Very low	88 Å²	88	135.1 Å²	135.1	73%	0.727	78%	0.783	S	S	*	*				84.4	147.3	124.3	0	0	0	0	0	122.9
430	K	31.1	Very low	28.4	Very low	186 Å²	186	136.4 Å²	136.4	81%	0.809	78%	0.783	S	S	*	*			trans	74.5	105.1	165.6	-66.5	-176.3	175.5	-178.2	0	119.4
431	D	26.8	Very low	28.4	Very low	143 Å²	143	133 Å²	133	77%	0.765	77%	0.774	S	S	*	*				23.9	141	108.6	-33	-47.4	0	0	0	117.4
432	M	31.5	Very low	28.2	Very low	168 Å²	168	133.8 Å²	133.8	83%	0.828	77%	0.768	S	S	*	*			cis	-162.7	158.1	31.9	-167.4	121.9	73	0	0	112.7
433	S	28	Very low	28.2	Very low	98 Å²	98	135.8 Å²	135.8	69%	0.685	78%	0.777	S	S	*	*			trans	25.7	124.3	153.3	66	0	0	0	0	121.5
434	S	25.1	Very low	28	Very low	102 Å²	102	133.5 Å²	133.5	71%	0.713	78%	0.775	S	S	*	*			trans	-48.8	149.6	144.9	53.8	0	0	0	0	114
435	L	27.3	Very low	28.3	Very low	155 Å²	155	132.7 Å²	132.7	81%	0.812	78%	0.78	S	S	*	*				-175.9	168.9	110.2	-95.2	172.3	0	0	0	112.6
436	H	27	Very low	28.2	Very low	163 Å²	163	129.5 Å²	129.5	76%	0.755	77%	0.773	S	S	*	*			trans	-62.4	162.8	-178.4	-62.6	-119	0	0	0	114.3
437	I	24.7	Very low	28.2	Very low	168 Å²	168	129.3 Å²	129.3	86%	0.862	77%	0.772	S	S	*	*				-174.8	149.4	113.6	-94.9	157.4	0	0	0	111.6
438	S	24.2	Very low	28.2	Very low	103 Å²	103	130.8 Å²	130.8	72%	0.72	77%	0.771	S	S	*	*			trans	-102	-156.8	174.9	-41.5	0	0	0	0	109.5
439	P	46.1	Very low	28.2	Very low	101 Å²	101	128.5 Å²	128.5	66%	0.656	76%	0.763	S	S	*	*			cis	-131.4	-168	-21.9	42.3	-25.6	0	0	0	112.9
440	N	25	Very low	28.2	Very low	152 Å²	152	129.7 Å²	129.7	81%	0.813	77%	0.765	S	S	*	*			trans	66.9	156	157.6	-67.4	8.2	0	0	0	118.2
441	S	27.4	Very low	28	Very low	90 Å²	90	126.8 Å²	126.8	63%	0.629	77%	0.768	S	S	*	*			cis	-160.7	-177.3	-17.7	46.3	0	0	0	0	110.8
442	D	23	Very low	28	Very low	130 Å²	130	125.4 Å²	125.4	70%	0.695	77%	0.77	S	S	*	*			trans	80.7	86.9	156.4	-54.4	-52.3	0	0	0	122
443	T	28.6	Very low	28.5	Very low	135 Å²	135	123.7 Å²	123.7	83%	0.828	77%	0.771	S	S	*	*				41.5	130.5	115.6	61	0	0	0	0	123.5
444	G	26.4	Very low	28.5	Very low	71 Å²	71	123.9 Å²	123.9	73%	0.732	77%	0.773	S	S	*	*			trans	121.5	147.3	144.4	0	0	0	0	0	115.3
445	L	31.8	Very low	28.8	Very low	188 Å²	188	126.5 Å²	126.5	98%	0.984	78%	0.777	S	S	*	*			cis	-158.6	159	-9.8	-100.2	176.3	0	0	0	108.6
446	G	26.5	Very low	28.9	Very low	64 Å²	64	123.7 Å²	123.7	66%	0.66	77%	0.771	S	S	*	*			trans	161.6	108.6	166	0	0	0	0	0	116.7
447	D	28.9	Very low	29	Very low	164 Å²	164	121.3 Å²	121.3	88%	0.877	77%	0.772	S	S	*	*			trans	52.3	151.8	148	-63.5	-18.4	0	0	0	123.1
448	S	27.3	Very low	29.2	Very low	103 Å²	103	118 Å²	118	72%	0.72	76%	0.764	S	S	*	*			cis	-160.9	165.3	-35.7	-140.8	0	0	0	0	112.1
449	V	28.9	Very low	29.4	Very low	126 Å²	126	119.9 Å²	119.9	76%	0.764	77%	0.771	S	S	*	*			trans	-56.6	167.7	-177.9	-66.7	0	0	0	0	116.7
450	C	27.5	Very low	28.6	Very low	113 Å²	113	120.4 Å²	120.4	76%	0.764	78%	0.778	S	S	*	*			cis	-174.7	159.3	-20.6	-99.5	0	0	0	0	109.2
451	S	25.9	Very low	29.8	Very low	125 Å²	125	118.6 Å²	118.6	87%	0.874	77%	0.774	S	S	*	*			trans	174.9	150.1	132.5	-81.7	0	0	0	0	113.9
452	S	27.5	Very low	29.8	Very low	114 Å²	114	123.3 Å²	123.3	80%	0.797	78%	0.783	S	S	*	*			trans	-105	-175.9	176.4	-49.5	0	0	0	0	111.8
453	P	40.7	Very low	30.1	Very low	132 Å²	132	124.5 Å²	124.5	86%	0.857	79%	0.788	S	S	*	*				-139.5	168	87.4	28.8	-9.5	0	0	0	116
454	S	28.7	Very low	30.2	Very low	103 Å²	103	125.6 Å²	125.6	72%	0.72	79%	0.789	S	S	*	*			trans	-85.5	165.4	173.6	45.7	0	0	0	0	112
455	I	31.8	Very low	30.7	Very low	156 Å²	156	127.8 Å²	127.8	80%	0.8	79%	0.791	S	S	*	*				-178.9	166	80.1	48.3	169.3	0	0	0	109.5
456	S	28.4	Very low	31.1	Very low	97 Å²	97	124.7 Å²	124.7	68%	0.678	78%	0.782	S	S	*	*			cis	-169.3	-168.5	-16.6	56.6	0	0	0	0	109.7
457	S	29.3	Very low	31.7	Very low	112 Å²	112	127 Å²	127	78%	0.783	79%	0.785	S	S	*	*			trans	75.7	144.7	171.3	78.9	0	0	0	0	118.6
458	S	28.9	Very low	32	Very low	98 Å²	98	124.7 Å²	124.7	69%	0.685	78%	0.782	S	S	*	*			cis	-163.9	153.5	-25.1	46.4	0	0	0	0	112.5
459	T	29.3	Very low	32.7	Very low	143 Å²	143	124.8 Å²	124.8	88%	0.877	78%	0.78	S	S	*	*			trans	64.7	157.5	164.7	55.7	0	0	0	0	121.3
460	S	28.6	Very low	32.8	Very low	113 Å²	113	127.3 Å²	127.3	79%	0.79	78%	0.783	S	S	*	*			trans	-145.1	-169.9	-168	15	0	0	0	0	109.4
461	P	50.3	Low	32.9	Very low	113 Å²	113	127 Å²	127	73%	0.734	79%	0.788	S	S	*	*			cis	-130.7	178.5	-35.9	37	-21.7	0	0	0	113.1
462	K	27.4	Very low	33.1	Very low	190 Å²	190	127.9 Å²	127.9	83%	0.826	78%	0.784	S	S	*	*			trans	172.6	116.8	145.2	-97.4	157.1	-177.6	176.7	0	111
463	L	30.4	Very low	33.3	Very low	154 Å²	154	134.1 Å²	134.1	81%	0.806	79%	0.79	S	S	*	*				94.4	108	84.6	-82.1	-171.8	0	0	0	114.7
464	D	28.9	Very low	32.8	Very low	158 Å²	158	136.8 Å²	136.8	85%	0.845	79%	0.788	S	S	*	*			trans	-73.9	151.3	157.8	-60.8	-72.5	0	0	0	112.1
465	P	38.4	Very low	33	Very low	117 Å²	117	141.9 Å²	141.9	76%	0.76	80%	0.797	S	S	*	*			trans	-137.6	-175	148	46	-32.2	0	0	0	111.4
466	P	39.4	Very low	32.9	Very low	123 Å²	123	142.8 Å²	142.8	80%	0.799	80%	0.798	S	S	*	*				-122.1	-177.1	-119.8	15.8	12.6	0	0	0	114.9
467	P	38.3	Very low	32.9	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	81%	0.807	S	S	*	*			trans	-97.7	146.5	-165.5	35.6	-35.4	0	0	0	118.2
468	S	36.7	Very low	33	Very low	116 Å²	116	155 Å²	155	81%	0.811	81%	0.812	S	S	*	*			trans	73.8	164.5	156.6	86.8	0	0	0	0	116.7
469	P	41.9	Very low	33	Very low	104 Å²	104	159.4 Å²	159.4	68%	0.675	82%	0.818	S	S	*	*			cis	-145.1	174.4	26.5	43.9	-23.6	0	0	0	120.4
470	H	29.8	Very low	33	Very low	179 Å²	179	161.5 Å²	161.5	83%	0.829	82%	0.815	S	S	*	*			trans	45.7	127.9	149.3	-70.8	-48.1	0	0	0	124.9
471	A	30.1	Very low	32.9	Very low	106 Å²	106	161.2 Å²	161.2	88%	0.876	81%	0.813	S	S	*	*				-150.7	137.1	127.5	0	0	0	0	0	112.1
472	N	29.7	Very low	31.9	Very low	145 Å²	145	161.8 Å²	161.8	78%	0.775	82%	0.815	S	S	*	*			trans	-108.5	138.6	-179.4	-117.9	-55.2	0	0	0	110.9
473	R	32	Very low	31.8	Very low	244 Å²	244	157.7 Å²	157.7	92%	0.921	81%	0.81	S	S	*	*			trans	-163.7	112.3	155.2	-117	166.7	120.7	169.5	1.1	115.1
474	K	29.9	Very low	31.7	Very low	188 Å²	188	157.9 Å²	157.9	82%	0.817	81%	0.812	S	S	*	*			trans	-62.9	143.5	168.6	-66	170.5	177.2	171.7	0	110.9
475	K	32.4	Very low	31.7	Very low	211 Å²	211	160.1 Å²	160.1	92%	0.917	82%	0.815	S	S	*	*			trans	-109.5	127.5	161.3	-80.7	-176.5	176.5	175.1	0	110
476	H	30.9	Very low	31.4	Very low	175 Å²	175	164.1 Å²	164.1	81%	0.81	82%	0.82	S	S	*	*			trans	-80.4	136	-175.6	-99.8	-124.9	0	0	0	113.1	R478	H476-R478 PolarHBondContact O-N 2.87Å
477	R	28.3	Very low	30.9	Very low	230 Å²	230	162.6 Å²	162.6	87%	0.868	82%	0.818	S	S	*	*			trans	-66.8	108.3	165.4	175.5	177.5	170.6	-172.7	-1.6	109.5	K479	R477-K479 PolarHBondContact O-N 3.37Å; R477-K479 VanDerWaalsContact O-N 3.13Å
478	R	32.2	Very low	30.5	Very low	235 Å²	235	165.2 Å²	165.2	89%	0.887	83%	0.826	S	S	*	*			trans	-72.3	100.8	-174.4	-164.9	-179.3	-164.3	179.4	6	111.7	H476	H476-R478 PolarHBondContact O-N 2.87Å
479	K	27.6	Very low	30	Very low	191 Å²	191	163.3 Å²	163.3	83%	0.83	82%	0.824	S	S	*	*			trans	-76.9	144.1	153.7	-69.1	-175.7	177.9	-178.3	0	108.5	R477	R477-K479 PolarHBondContact O-N 3.37Å; R477-K479 VanDerWaalsContact O-N 3.13Å
480	K	28.7	Very low	29.4	Very low	187 Å²	187	166.7 Å²	166.7	81%	0.813	84%	0.836	S	S	*	*			trans	-130.6	139.8	158.4	-171.1	-178.8	178.8	-171.8	0	107.6
481	S	26.5	Very low	29.3	Very low	107 Å²	107	164.1 Å²	164.1	75%	0.748	84%	0.838	S	S	*	*			trans	-135.4	124.7	-171.4	49.8	0	0	0	0	111.1
482	T	29.2	Very low	29.2	Very low	125 Å²	125	162.7 Å²	162.7	77%	0.767	83%	0.834	S	S	*	*			trans	-159.2	131.5	166.5	40.5	0	0	0	0	105.6
483	S	27	Very low	29.2	Very low	103 Å²	103	162.3 Å²	162.3	72%	0.72	84%	0.837	S	S	*	*			cis	-161.9	146.1	-2	40.5	0	0	0	0	109.1
484	N	27	Very low	29.3	Very low	158 Å²	158	154.8 Å²	154.8	85%	0.845	83%	0.827	S	S	*	*			trans	-84.8	137.1	171.2	-76.5	0.9	0	0	0	110.6
485	F	28.8	Very low	29.7	Very low	206 Å²	206	154.6 Å²	154.6	90%	0.904	83%	0.829	S	S	*	*			trans	-123.4	148.1	146.8	-95.3	-88.8	0	0	0	108
486	K	32	Very low	29.9	Very low	201 Å²	201	153.5 Å²	153.5	87%	0.874	83%	0.827	S	S	*	*			trans	-117.2	138.7	172.9	-77.3	-174.1	172	-171.6	0	108.9
487	A	28.8	Very low	30.2	Very low	91 Å²	91	154.1 Å²	154.1	75%	0.752	83%	0.83	S	S	*	*			trans	-165.3	113	144.3	0	0	0	0	0	109.5
488	D	30.2	Very low	31.1	Very low	168 Å²	168	151 Å²	151	90%	0.898	83%	0.825	S	S	*	*			trans	24.7	146.2	137.3	-44.1	-29.8	0	0	0	122.2
489	G	26	Very low	32.2	Very low	76 Å²	76	147.6 Å²	147.6	78%	0.784	82%	0.819	S	S	*	*			trans	151.7	108.4	163	0	0	0	0	0	114.2
490	L	30.1	Very low	34	Very low	174 Å²	174	141.3 Å²	141.3	91%	0.911	80%	0.795	S	S	*	*			trans	-101.4	126.5	164.6	-78.2	86.9	0	0	0	110.3
491	S	28.1	Very low	36.7	Very low	126 Å²	126	134 Å²	134	88%	0.881	77%	0.765	S	S	*	*			trans	169.5	153.5	136.6	40.6	0	0	0	0	108.2
492	G	28.2	Very low	39.6	Very low	76 Å²	76	130.6 Å²	130.6	78%	0.784	74%	0.737	S	S	*	*			trans	-110.5	145.2	-173.5	0	0	0	0	0	112.9
493	T	28.4	Very low	42.6	Very low	137 Å²	137	124.7 Å²	124.7	84%	0.84	70%	0.7	S	S	*	*			trans	-111.8	137.3	144.3	49.6	0	0	0	0	107.7
494	A	34.6	Very low	45.6	Very low	86 Å²	86	121.2 Å²	121.2	71%	0.711	67%	0.674	S	S	*	*			trans	-74.9	176.1	157.7	0	0	0	0	0	108.9
495	E	39.4	Very low	48.6	Very low	183 Å²	183	113.7 Å²	113.7	86%	0.855	63%	0.633	S	S	*	*			trans	68	128.6	-174.5	-56.4	152.4	-142	0	0	111.6
496	E	36.3	Very low	51.4	Low	189 Å²	189	104.9 Å²	104.9	88%	0.883	60%	0.597	S	S	*	*			cis	-112.7	125.9	11.1	-61.4	165.1	141.8	0	0	111
497	Q	37.6	Very low	53.9	Low	187 Å²	187	96 Å²	96	87%	0.874	56%	0.559	S	S	*	*			trans	-92.9	108.7	154.1	-74.9	-173.1	9.4	0	0	106.8	E499	Q497-E499 PolarHBondContact O-N 3.01Å
498	E	46.2	Very low	56	Low	164 Å²	164	97.5 Å²	97.5	77%	0.766	55%	0.554	S	S	*	*			trans	-56.4	111.6	168.2	-75.5	-173.4	127.2	0	0	108.7	N500	E498-N500 VanDerWaalsContact C-N 3.3Å; E498-N500 PolarHBondContact O-N 3.11Å; E498-N500 PolarHBondContact O-ND2 2.69Å
499	E	55.3	Low	58.2	Low	164 Å²	164	94.1 Å²	94.1	77%	0.766	54%	0.54	S	S	*	.			trans	-64.9	92.5	174.3	-66.7	-167	160	0	0	108.6	Q497 L501	Q497-E499 PolarHBondContact O-N 3.01Å; E499-L501 VanDerWaalsContact C-N 3.25Å; E499-L501 PolarHBondContact O-N 3.1Å
500	N	66.3	Low	60.7	Low	59 Å²	59	93.3 Å²	93.3	32%	0.316	53%	0.531	S	S	.	.			trans	-72.3	78.1	-172.7	-91.8	-99.8	0	0	0	110.8	E498 E502 R523	E498-N500 VanDerWaalsContact C-N 3.3Å; E498-N500 PolarHBondContact O-N 3.11Å; E498-N500 PolarHBondContact O-ND2 2.69Å; N500-E502 PolarHBondContact O-N 3.39Å; N500-R523 WeakPolarHBondContact O-CD 3.21Å; N500-R523 PolarHBondContact O-NH1 3.07Å
501	L	83.7	Confident	63.3	Low	35 Å²	35	89.2 Å²	89.2	18%	0.183	51%	0.508	C	S	.	.			trans	-68.1	-9.9	174.8	-59.6	-176.4	0	0	0	112.7	E499 E516 A517 T519	E499-L501 VanDerWaalsContact C-N 3.25Å; E499-L501 PolarHBondContact O-N 3.1Å; L501-E516 HydrophobicContact CB-CG 4.12Å; L501-E516 WeakPolarHBondContact O-CA 3.42Å; L501-A517 WeakPolarHBondContact CD1-O 3.42Å; L501-A517 PolarHBondContact O-N 3.22Å; L501-T519 VanDerWaalsContact CD2-C 3.5Å
502	E	88.4	Confident	66.1	Low	34 Å²	34	86.4 Å²	86.4	16%	0.159	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.9	173.8	-179.8	166.7	-170.9	0	0	112.4	R356 W365 P406 N500 I504 H514 F515	R356-E502 IonicContact CZ-OE1 3.47Å; R356-E502 IonicContact CZ-OE2 2.92Å; R356-E502 VanDerWaalsContact NH1-CD 3.3Å; R356-E502 IonicContact NH1-OE1 2.99Å; R356-E502 PolarHBondContact NH1-OE1 3.46Å; R356-E502 IonicContact NH1-OE2 3.49Å; R356-E502 PolarHBondContact NH1-OE2 3.27Å; R356-E502 IonicContact NH2-OE1 3.38Å; R356-E502 PolarHBondContact NH2-OE1 2.9Å; W365-E502 HydrophobicContact CH2-CB 4.49Å; W365-E502 HydrophobicContact CH2-CG 4.07Å; P406-E502 WeakPolarHBondContact CD-O 3.48Å; P406-E502 HydrophobicContact CG-CB 4.42Å; P406-E502 HydrophobicContact CG-CG 4.25Å; N500-E502 PolarHBondContact O-N 3.39Å; E502-I504 HydrophobicContact CG-CG1 4.19Å; E502-H514 WeakPolarHBondContact OE1-CB 3.34Å; E502-H514 IonicContact OE1-CE1 2.88Å; E502-H514 IonicContact OE1-CG 3.97Å; E502-H514 IonicContact OE1-ND1 3.35Å; E502-H514 PolarHBondContact OE1-ND1 2.91Å; E502-F515 CarbonylContact C-O 3.56Å; E502-F515 VanDerWaalsContact CA-O 3.25Å; E502-F515 WeakPolarHBondContact CA-O 3.37Å
503	F	91.6	Very high	69.1	Low	1 Å²	1	84.4 Å²	84.4	0%	0.004	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152.1	160.7	71.8	-85.4	0	0	0	110.4	L353 V403 V405 I505 F515 R523 W526 V527 I530	L353-F503 HydrophobicContact CD1-CE1 3.89Å; L353-F503 HydrophobicContact CD1-CZ 3.67Å; L353-F503 HydrophobicContact CD2-CE1 4.41Å; V403-F503 HydrophobicContact CG1-CD2 3.96Å; V405-F503 HydrophobicContact CG2-CB 4.35Å; F503-I505 HydrophobicContact CD2-CG1 4.48Å; F503-I505 HydrophobicContact CE2-CD1 4.47Å; F503-I505 HydrophobicContact CE2-CG1 4.26Å; F503-F515 HydrophobicContact CD1-CB 4.03Å; F503-F515 HydrophobicContact CD2-CB 4.37Å; F503-F515 HydrophobicContact CE1-CB 3.6Å; F503-F515 HydrophobicContact CE2-CB 3.97Å; F503-F515 HydrophobicContact CE2-CD2 4.2Å; F503-F515 HydrophobicContact CE2-CG 4.37Å; F503-F515 HydrophobicContact CG-CB 4.42Å; F503-F515 HydrophobicContact CZ-CB 3.58Å; F503-F515 HydrophobicContact CZ-CD2 4.4Å; F503-F515 HydrophobicContact CZ-CG 4.13Å; F503-F515 PolarHBondContact N-O 3.3Å; F503-F515 PolarHBondContact O-N 3.04Å; F503-R523 HydrophobicContact CB-CG 4.28Å; F503-R523 HydrophobicContact CD1-CG 3.95Å; F503-W526 HydrophobicContact CE1-CB 4.15Å; F503-W526 HydrophobicContact CZ-CB 4.01Å; F503-V527 HydrophobicContact CB-CG2 3.8Å; F503-V527 HydrophobicContact CD1-CG2 4.5Å; F503-V527 HydrophobicContact CD2-CG2 4.19Å; F503-V527 HydrophobicContact CG-CG2 3.93Å; F503-I530 HydrophobicContact CE2-CD1 3.7Å; F503-I530 HydrophobicContact CZ-CD1 4.2Å
504	I	90.2	Very high	72.1	Confident	30 Å²	30	79.8 Å²	79.8	15%	0.154	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.3	-170.6	-46.7	174.2	0	0	0	108.9	V403 K404 P406 E502 V506 W513	V403-I504 CarbonylContact C-O 3.49Å; K404-I504 PolarHBondContact N-O 3.41Å; K404-I504 PolarHBondContact O-N 2.9Å; P406-I504 HydrophobicContact CG-CD1 4.09Å; P406-I504 HydrophobicContact CG-CG1 4.44Å; E502-I504 HydrophobicContact CG-CG1 4.19Å; I504-V506 HydrophobicContact CG2-CG2 3.8Å; I504-W513 WeakPolarHBondContact CA-O 3.47Å
505	I	90.7	Very high	74.9	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.3	166.4	-51.5	179.9	0	0	0	107.5	L378 I396 L398 T401 F503 T512 W513 F515 I530	L378-I505 HydrophobicContact CD1-CD1 4.16Å; L378-I505 HydrophobicContact CD2-CD1 4.44Å; I396-I505 HydrophobicContact CD1-CD1 4.37Å; I396-I505 HydrophobicContact CG2-CG2 4.26Å; L398-I505 HydrophobicContact CD2-CD1 4.45Å; L398-I505 HydrophobicContact CD2-CG2 4.45Å; T401-I505 HydrophobicContact CG2-CG2 3.91Å; F503-I505 HydrophobicContact CD2-CG1 4.48Å; F503-I505 HydrophobicContact CE2-CD1 4.47Å; F503-I505 HydrophobicContact CE2-CG1 4.26Å; I505-T512 CarbonylContact O-C 3.47Å; I505-T512 WeakPolarHBondContact O-CA 3.38Å; I505-W513 HydrophobicContact CB-CB 4.47Å; I505-W513 HydrophobicContact CB-CE3 4.17Å; I505-W513 HydrophobicContact CG2-CE3 4.1Å; I505-W513 HydrophobicContact CG2-CZ3 4.46Å; I505-W513 PolarHBondContact N-O 3.32Å; I505-W513 PolarHBondContact O-N 3.02Å; I505-F515 HydrophobicContact CD1-CD2 4.2Å; I505-F515 HydrophobicContact CD1-CE2 3.89Å; I505-F515 HydrophobicContact CG1-CD2 4.34Å; I505-F515 HydrophobicContact CG1-CE2 4.38Å; I505-I530 HydrophobicContact CD1-CD1 4.13Å
506	V	87.1	Confident	77.4	Confident	22 Å²	22	69.4 Å²	69.4	13%	0.133	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120	-177.4	-176.3	0	0	0	0	109.8	T401 T402 K404 I504 Q511 T512	T401-V506 CarbonylContact C-O 3.57Å; T401-V506 VanDerWaalsContact CA-O 3.29Å; T401-V506 WeakPolarHBondContact CA-O 3.01Å; T402-V506 PolarHBondContact N-O 3.27Å; T402-V506 PolarHBondContact O-N 2.85Å; T402-V506 PolarHBondContact OG1-O 2.92Å; K404-V506 HydrophobicContact CD-CG2 4.08Å; I504-V506 HydrophobicContact CG2-CG2 3.8Å; V506-Q511 WeakPolarHBondContact CA-O 3.28Å; V506-T512 HydrophobicContact CG1-CG2 4.23Å; V506-T512 HydrophobicContact CG2-CG2 4.05Å
507	S	83.9	Confident	79.9	Confident	13 Å²	13	60.5 Å²	60.5	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	158.3	175.5	73.7	0	0	0	0	112.7	R400 T509 G510 Q511	R400-S507 CarbonylContact O-C 3.5Å; R400-S507 WeakPolarHBondContact O-CA 3.37Å; S507-T509 PolarHBondContact O-N 3.27Å; S507-T509 VanDerWaalsContact O-N 3.14Å; S507-T509 PolarHBondContact OG-N 2.93Å; S507-T509 PolarHBondContact OG-OG1 2.97Å; S507-G510 PolarHBondContact O-N 3.42Å; S507-G510 PolarHBondContact OG-N 3.1Å; S507-Q511 PolarHBondContact N-O 3.46Å; S507-Q511 WeakPolarHBondContact OG-CB 3.5Å; S507-Q511 PolarHBondContact OG-N 3.09Å
508	L	73.3	Confident	82.2	Confident	123 Å²	123	55.9 Å²	55.9	64%	0.644	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.9	166.6	-67.7	179	0	0	0	113.1	R400	R400-L508 HydrophobicContact CB-CD1 4.08Å; R400-L508 HydrophobicContact CB-CG 4.4Å; R400-L508 PolarHBondContact O-N 3.26Å
509	T	77.7	Confident	84.2	Confident	98 Å²	98	50.9 Å²	50.9	60%	0.601	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	6.1	173.7	54.1	0	0	0	0	113.6	S507 Q511	S507-T509 PolarHBondContact O-N 3.27Å; S507-T509 VanDerWaalsContact O-N 3.14Å; S507-T509 PolarHBondContact OG-N 2.93Å; S507-T509 PolarHBondContact OG-OG1 2.97Å; T509-Q511 VanDerWaalsContact C-N 3.34Å; T509-Q511 PolarHBondContact O-N 3.05Å
510	G	78.1	Confident	85.6	Confident	58 Å²	58	48.3 Å²	48.3	60%	0.598	27%	0.268	S	S	*	.	S	Bend	trans	78.9	8.6	176.5	0	0	0	0	0	115.4	S507	S507-G510 PolarHBondContact O-N 3.42Å; S507-G510 PolarHBondContact OG-N 3.1Å
511	Q	83.4	Confident	86.5	Confident	89 Å²	89	51.4 Å²	51.4	42%	0.416	28%	0.28	S	S	.	.			trans	-76.2	139.6	172.1	-61	-173.3	2.9	0	0	109.7	V506 S507 T509 W513	V506-Q511 WeakPolarHBondContact CA-O 3.28Å; S507-Q511 PolarHBondContact N-O 3.46Å; S507-Q511 WeakPolarHBondContact OG-CB 3.5Å; S507-Q511 PolarHBondContact OG-N 3.09Å; T509-Q511 VanDerWaalsContact C-N 3.34Å; T509-Q511 PolarHBondContact O-N 3.05Å; Q511-W513 HydrophobicContact CB-CH2 3.7Å; Q511-W513 HydrophobicContact CB-CZ2 4.02Å; Q511-W513 HydrophobicContact CB-CZ3 4.12Å
512	T	87.8	Confident	86.7	Confident	67 Å²	67	51.9 Å²	51.9	41%	0.411	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.3	178.8	68.6	0	0	0	0	112.2	I505 V506 H514	I505-T512 CarbonylContact O-C 3.47Å; I505-T512 WeakPolarHBondContact O-CA 3.38Å; V506-T512 HydrophobicContact CG1-CG2 4.23Å; V506-T512 HydrophobicContact CG2-CG2 4.05Å; T512-H514 PolarHBondContact OG1-NE2 3.21Å; T512-H514 VanDerWaalsContact OG1-NE2 3.16Å
513	W	91.1	Very high	86.7	Confident	34 Å²	34	50.6 Å²	50.6	13%	0.129	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	111.6	171.4	-56.4	-98.3	0	0	0	108.9	I396 T401 I504 I505 Q511 F515	I396-W513 HydrophobicContact CD1-CB 3.91Å; I396-W513 HydrophobicContact CD1-CD2 3.59Å; I396-W513 HydrophobicContact CD1-CE3 4.17Å; I396-W513 HydrophobicContact CD1-CG 3.45Å; I396-W513 VanDerWaalsContact CD1-CG 3.45Å; I396-W513 HydrophobicContact CG1-CD2 4.15Å; I396-W513 HydrophobicContact CG1-CG 4.37Å; I396-W513 HydrophobicContact CG1-CZ2 4.35Å; I396-W513 HydrophobicContact CG2-CD2 4.42Å; I396-W513 HydrophobicContact CG2-CE3 4.13Å; I396-W513 HydrophobicContact CG2-CH2 4.12Å; I396-W513 HydrophobicContact CG2-CZ2 4.41Å; I396-W513 HydrophobicContact CG2-CZ3 3.98Å; T401-W513 HydrophobicContact CG2-CZ3 4.39Å; I504-W513 WeakPolarHBondContact CA-O 3.47Å; I505-W513 HydrophobicContact CB-CB 4.47Å; I505-W513 HydrophobicContact CB-CE3 4.17Å; I505-W513 HydrophobicContact CG2-CE3 4.1Å; I505-W513 HydrophobicContact CG2-CZ3 4.46Å; I505-W513 PolarHBondContact N-O 3.32Å; I505-W513 PolarHBondContact O-N 3.02Å; Q511-W513 HydrophobicContact CB-CH2 3.7Å; Q511-W513 HydrophobicContact CB-CZ2 4.02Å; Q511-W513 HydrophobicContact CB-CZ3 4.12Å; W513-F515 HydrophobicContact CB-CD2 4.18Å; W513-F515 HydrophobicContact CB-CE2 3.58Å; W513-F515 HydrophobicContact CB-CZ 4.36Å
514	H	91.1	Very high	86.5	Confident	39 Å²	39	52.5 Å²	52.5	18%	0.181	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121	178.5	-62.9	-88.4	0	0	0	109.5	K355 R356 W365 E502 T512	K355-H514 WeakPolarHBondContact CA-O 3.5Å; R356-H514 HydrophobicContact CB-CB 3.86Å; R356-H514 PolarHBondContact N-O 3.34Å; R356-H514 VanDerWaalsContact N-O 3.09Å; R356-H514 PolarHBondContact NH2-CE1 3.29Å; R356-H514 VanDerWaalsContact NH2-CG 3.31Å; R356-H514 PolarHBondContact NH2-ND1 2.95Å; W365-H514 HydrophobicContact CH2-CB 4.18Å; W365-H514 HydrophobicContact CZ3-CB 4.41Å; E502-H514 WeakPolarHBondContact OE1-CB 3.34Å; E502-H514 IonicContact OE1-CE1 2.88Å; E502-H514 IonicContact OE1-CG 3.97Å; E502-H514 IonicContact OE1-ND1 3.35Å; E502-H514 PolarHBondContact OE1-ND1 2.91Å; T512-H514 PolarHBondContact OG1-NE2 3.21Å; T512-H514 VanDerWaalsContact OG1-NE2 3.16Å
515	F	92.9	Very high	86.3	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.3	178.5	-70.3	-81.3	0	0	0	110.1	L353 L354 K355 V370 L378 Y380 I396 E502 F503 I505 W513	L353-F515 HydrophobicContact CB-CD1 4.13Å; L353-F515 HydrophobicContact CD1-CB 4.37Å; L353-F515 HydrophobicContact CD1-CD1 4.14Å; L353-F515 HydrophobicContact CD1-CG 4.45Å; L354-F515 CarbonylContact O-C 3.56Å; L354-F515 VanDerWaalsContact O-CA 3.25Å; L354-F515 WeakPolarHBondContact O-CA 3.35Å; K355-F515 HydrophobicContact CB-CD1 4.04Å; K355-F515 HydrophobicContact CB-CE1 4.05Å; K355-F515 HydrophobicContact CG-CD1 3.74Å; K355-F515 HydrophobicContact CG-CE1 3.44Å; K355-F515 VanDerWaalsContact CG-CE1 3.44Å; K355-F515 HydrophobicContact CG-CZ 4.02Å; V370-F515 HydrophobicContact CG2-CE1 4.1Å; L378-F515 HydrophobicContact CD2-CZ 4.31Å; Y380-F515 HydrophobicContact CD1-CZ 4.16Å; Y380-F515 HydrophobicContact CG-CE1 4.49Å; Y380-F515 HydrophobicContact CG-CZ 4.38Å; I396-F515 HydrophobicContact CD1-CE2 4.06Å; I396-F515 HydrophobicContact CD1-CZ 4.19Å; E502-F515 CarbonylContact C-O 3.56Å; E502-F515 VanDerWaalsContact CA-O 3.25Å; E502-F515 WeakPolarHBondContact CA-O 3.37Å; F503-F515 HydrophobicContact CD1-CB 4.03Å; F503-F515 HydrophobicContact CD2-CB 4.37Å; F503-F515 HydrophobicContact CE1-CB 3.6Å; F503-F515 HydrophobicContact CE2-CB 3.97Å; F503-F515 HydrophobicContact CE2-CD2 4.2Å; F503-F515 HydrophobicContact CE2-CG 4.37Å; F503-F515 HydrophobicContact CG-CB 4.42Å; F503-F515 HydrophobicContact CZ-CB 3.58Å; F503-F515 HydrophobicContact CZ-CD2 4.4Å; F503-F515 HydrophobicContact CZ-CG 4.13Å; F503-F515 PolarHBondContact N-O 3.3Å; F503-F515 PolarHBondContact O-N 3.04Å; I505-F515 HydrophobicContact CD1-CD2 4.2Å; I505-F515 HydrophobicContact CD1-CE2 3.89Å; I505-F515 HydrophobicContact CG1-CD2 4.34Å; I505-F515 HydrophobicContact CG1-CE2 4.38Å; W513-F515 HydrophobicContact CB-CD2 4.18Å; W513-F515 HydrophobicContact CB-CE2 3.58Å; W513-F515 HydrophobicContact CB-CZ 4.36Å
516	E	92	Very high	86.4	Confident	49 Å²	49	52.9 Å²	52.9	23%	0.229	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132	-179.4	167.9	-171	-169.5	0	0	108	L354 W365 L501	L354-E516 HydrophobicContact CB-CB 3.93Å; L354-E516 HydrophobicContact CB-CG 4.3Å; L354-E516 HydrophobicContact CD1-CG 4.12Å; L354-E516 PolarHBondContact N-O 2.89Å; L354-E516 PolarHBondContact O-N 3.12Å; W365-E516 VanDerWaalsContact CD2-OE2 3.24Å; W365-E516 VanDerWaalsContact CE2-OE2 3.27Å; W365-E516 HydrophobicContact CE3-CB 4.12Å; W365-E516 HydrophobicContact CH2-CB 3.78Å; W365-E516 HydrophobicContact CZ2-CB 4.34Å; W365-E516 HydrophobicContact CZ3-CB 3.64Å; L501-E516 HydrophobicContact CB-CG 4.12Å; L501-E516 WeakPolarHBondContact O-CA 3.42Å
517	A	90.5	Very high	86.5	Confident	2 Å²	2	52.3 Å²	52.3	2%	0.017	29%	0.289	C	S	.	.			trans	-97	170	-179.3	0	0	0	0	0	111.5	L353 L501 E522 R523	L353-A517 HydrophobicContact CD2-CB 3.86Å; L501-A517 WeakPolarHBondContact CD1-O 3.42Å; L501-A517 PolarHBondContact O-N 3.22Å; A517-E522 HydrophobicContact CB-CB 4.06Å; A517-E522 HydrophobicContact CB-CG 3.89Å; A517-R523 HydrophobicContact CB-CB 3.87Å
518	T	85.6	Confident	86.8	Confident	91 Å²	91	58.2 Å²	58.2	56%	0.558	32%	0.315	S	S	*	.	S	Bend	trans	-85.6	-19.1	179.5	61.1	0	0	0	0	114.2	E522	T518-E522 WeakPolarHBondContact CB-OE2 3.39Å; T518-E522 PolarHBondContact N-OE2 3.42Å; T518-E522 PolarHBondContact OG1-OE2 3.13Å
519	T	87.8	Confident	87.4	Confident	58 Å²	58	53.4 Å²	53.4	36%	0.356	29%	0.293	S	S	.	.	S	Bend	trans	-143.1	165.4	172.6	85.4	0	0	0	0	111.6	L501 E521 E522 R523	L501-T519 VanDerWaalsContact CD2-C 3.5Å; T519-E521 VanDerWaalsContact C-N 3.28Å; T519-E521 WeakPolarHBondContact CB-OE2 3.46Å; T519-E521 PolarHBondContact O-N 3.32Å; T519-E521 PolarHBondContact OG1-N 2.74Å; T519-E521 PolarHBondContact OG1-OE2 3.18Å; T519-E522 PolarHBondContact O-N 3.01Å; T519-E522 PolarHBondContact OG1-N 3.3Å; T519-E522 VanDerWaalsContact OG1-N 3.14Å; T519-R523 PolarHBondContact O-N 3.09Å
520	Y	84.3	Confident	87.9	Confident	110 Å²	110	48.7 Å²	48.7	43%	0.431	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-39.9	175.9	177.7	-72.8	0	0	0	111.5	K408 R523 D524	K408-Y520 PolarHBondContact NZ-OH 2.85Å; Y520-R523 WeakPolarHBondContact O-CB 3.39Å; Y520-R523 PolarHBondContact O-N 3.11Å; Y520-D524 WeakPolarHBondContact CE1-OD2 3.29Å; Y520-D524 PolarHBondContact O-N 2.98Å; Y520-D524 PolarHBondContact OH-OD2 3.49Å
521	E	86.3	Confident	88.4	Confident	125 Å²	125	49.9 Å²	49.9	58%	0.584	26%	0.255	S	S	*	.	H	α-helix	trans	-70.3	-41.1	-179.1	-52.9	66.4	-139.4	0	0	110.6	T519 R523 A525	T519-E521 VanDerWaalsContact C-N 3.28Å; T519-E521 WeakPolarHBondContact CB-OE2 3.46Å; T519-E521 PolarHBondContact O-N 3.32Å; T519-E521 PolarHBondContact OG1-N 2.74Å; T519-E521 PolarHBondContact OG1-OE2 3.18Å; E521-R523 VanDerWaalsContact C-N 3.34Å; E521-A525 WeakPolarHBondContact O-CB 3.38Å; E521-A525 PolarHBondContact O-N 3.23Å
522	E	87.2	Confident	88.4	Confident	45 Å²	45	49.1 Å²	49.1	21%	0.21	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-43.8	172.9	-178.5	177.7	-147.7	0	0	110.4	A517 T518 T519 A525 W526	A517-E522 HydrophobicContact CB-CB 4.06Å; A517-E522 HydrophobicContact CB-CG 3.89Å; T518-E522 WeakPolarHBondContact CB-OE2 3.39Å; T518-E522 PolarHBondContact N-OE2 3.42Å; T518-E522 PolarHBondContact OG1-OE2 3.13Å; T519-E522 PolarHBondContact O-N 3.01Å; T519-E522 PolarHBondContact OG1-N 3.3Å; T519-E522 VanDerWaalsContact OG1-N 3.14Å; E522-A525 PolarHBondContact O-N 3Å; E522-W526 PolarHBondContact O-N 2.75Å
523	R	87.7	Confident	88.2	Confident	6 Å²	6	46.8 Å²	46.8	2%	0.023	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-57.3	176	-171.6	-157.7	64.7	-131.4	-16.8	111.1	N500 F503 A517 T519 Y520 E521 A525 W526 V527	N500-R523 WeakPolarHBondContact O-CD 3.21Å; N500-R523 PolarHBondContact O-NH1 3.07Å; F503-R523 HydrophobicContact CB-CG 4.28Å; F503-R523 HydrophobicContact CD1-CG 3.95Å; A517-R523 HydrophobicContact CB-CB 3.87Å; T519-R523 PolarHBondContact O-N 3.09Å; Y520-R523 WeakPolarHBondContact O-CB 3.39Å; Y520-R523 PolarHBondContact O-N 3.11Å; E521-R523 VanDerWaalsContact C-N 3.34Å; R523-A525 VanDerWaalsContact C-N 3.3Å; R523-A525 PolarHBondContact O-N 3.47Å; R523-W526 PolarHBondContact O-N 2.87Å; R523-W526 VanDerWaalsContact O-N 3.07Å; R523-V527 HydrophobicContact CG-CG2 4.41Å; R523-V527 WeakPolarHBondContact O-CG2 3.17Å; R523-V527 PolarHBondContact O-N 2.95Å
524	D	87.2	Confident	87.9	Confident	42 Å²	42	46 Å²	46	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-31.8	-175.7	-80.2	4.5	0	0	0	111.6	K408 Y520 W526 V527 Q528	K408-D524 IonicContact NZ-OD1 3.78Å; K408-D524 PolarHBondContact NZ-OD1 3.48Å; K408-D524 IonicContact NZ-OD2 3.78Å; K408-D524 PolarHBondContact NZ-OD2 2.73Å; Y520-D524 WeakPolarHBondContact CE1-OD2 3.29Å; Y520-D524 PolarHBondContact O-N 2.98Å; Y520-D524 PolarHBondContact OH-OD2 3.49Å; D524-W526 VanDerWaalsContact C-N 3.32Å; D524-W526 PolarHBondContact O-N 2.81Å; D524-V527 PolarHBondContact O-N 2.89Å; D524-Q528 WeakPolarHBondContact O-CB 3.3Å; D524-Q528 PolarHBondContact O-N 2.88Å
525	A	87.6	Confident	87.4	Confident	36 Å²	36	48.9 Å²	48.9	30%	0.298	26%	0.258	S	S	.	.	H	α-helix	trans	-72.9	-17.2	172.5	0	0	0	0	0	114.4	K349 E521 E522 R523 A529	K349-A525 WeakPolarHBondContact CD-O 3.37Å; K349-A525 WeakPolarHBondContact CE-O 3.34Å; K349-A525 PolarHBondContact NZ-O 3.33Å; E521-A525 WeakPolarHBondContact O-CB 3.38Å; E521-A525 PolarHBondContact O-N 3.23Å; E522-A525 PolarHBondContact O-N 3Å; R523-A525 VanDerWaalsContact C-N 3.3Å; R523-A525 PolarHBondContact O-N 3.47Å; A525-A529 WeakPolarHBondContact O-CB 3.25Å
526	W	91.4	Very high	86.6	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-83.7	-45.9	166.4	-88.1	105.2	0	0	0	111.4	K349 L353 V370 L372 L378 F503 E522 R523 D524 Q528 A529 I530	K349-W526 HydrophobicContact CB-CH2 4.25Å; K349-W526 HydrophobicContact CB-CZ3 4.13Å; K349-W526 HydrophobicContact CD-CD2 3.62Å; K349-W526 HydrophobicContact CD-CE3 3.64Å; K349-W526 HydrophobicContact CD-CG 4.13Å; K349-W526 HydrophobicContact CD-CH2 4.26Å; K349-W526 HydrophobicContact CD-CZ2 4.26Å; K349-W526 HydrophobicContact CD-CZ3 3.96Å; K349-W526 VanDerWaalsContact CE-CG 3.47Å; K349-W526 HydrophobicContact CG-CD2 4.34Å; K349-W526 HydrophobicContact CG-CE3 4.23Å; K349-W526 HydrophobicContact CG-CH2 3.95Å; K349-W526 HydrophobicContact CG-CZ2 4.07Å; K349-W526 HydrophobicContact CG-CZ3 4.03Å; L353-W526 HydrophobicContact CD1-CD2 3.99Å; L353-W526 HydrophobicContact CD1-CE3 4.48Å; L353-W526 HydrophobicContact CD1-CG 4.18Å; L353-W526 HydrophobicContact CD1-CZ2 4.47Å; L353-W526 HydrophobicContact CD2-CG 4.48Å; V370-W526 HydrophobicContact CB-CH2 4.08Å; V370-W526 HydrophobicContact CB-CZ2 4.43Å; V370-W526 HydrophobicContact CG1-CH2 3.92Å; V370-W526 HydrophobicContact CG1-CZ3 4Å; L372-W526 HydrophobicContact CB-CZ3 4.19Å; L378-W526 HydrophobicContact CD1-CZ3 4.46Å; F503-W526 HydrophobicContact CE1-CB 4.15Å; F503-W526 HydrophobicContact CZ-CB 4.01Å; E522-W526 PolarHBondContact O-N 2.75Å; R523-W526 PolarHBondContact O-N 2.87Å; R523-W526 VanDerWaalsContact O-N 3.07Å; D524-W526 VanDerWaalsContact C-N 3.32Å; D524-W526 PolarHBondContact O-N 2.81Å; W526-Q528 PolarHBondContact O-N 3.01Å; W526-A529 PolarHBondContact O-N 3.23Å; W526-I530 HydrophobicContact CE3-CD1 4.29Å; W526-I530 WeakPolarHBondContact O-CD1 3.19Å; W526-I530 VanDerWaalsContact O-CG1 3.24Å; W526-I530 WeakPolarHBondContact O-CG1 3.37Å; W526-I530 PolarHBondContact O-N 3.3Å
527	V	90.1	Very high	85.6	Confident	10 Å²	10	49.2 Å²	49.2	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-51.2	176.7	172.9	0	0	0	0	110.2	V403 V405 F503 R523 D524 A529 I530 E531	V403-V527 HydrophobicContact CB-CG1 4.48Å; V403-V527 HydrophobicContact CG1-CB 4.34Å; V403-V527 HydrophobicContact CG1-CG1 3.94Å; V403-V527 HydrophobicContact CG1-CG2 3.96Å; V405-V527 HydrophobicContact CG2-CG1 4.34Å; V405-V527 HydrophobicContact CG2-CG2 3.82Å; F503-V527 HydrophobicContact CB-CG2 3.8Å; F503-V527 HydrophobicContact CD1-CG2 4.5Å; F503-V527 HydrophobicContact CD2-CG2 4.19Å; F503-V527 HydrophobicContact CG-CG2 3.93Å; R523-V527 HydrophobicContact CG-CG2 4.41Å; R523-V527 WeakPolarHBondContact O-CG2 3.17Å; R523-V527 PolarHBondContact O-N 2.95Å; D524-V527 PolarHBondContact O-N 2.89Å; V527-A529 VanDerWaalsContact C-N 3.34Å; V527-A529 PolarHBondContact O-N 3.08Å; V527-I530 PolarHBondContact O-N 3.31Å; V527-E531 HydrophobicContact CG1-CG 4.22Å; V527-E531 WeakPolarHBondContact O-CB 3.37Å; V527-E531 WeakPolarHBondContact O-CG 3.35Å; V527-E531 PolarHBondContact O-N 2.94Å
528	Q	88.8	Confident	84.6	Confident	136 Å²	136	53 Å²	53	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-59.6	-40.6	178.6	-173.9	-176.6	18	0	0	112.7	D524 W526 S532	D524-Q528 WeakPolarHBondContact O-CB 3.3Å; D524-Q528 PolarHBondContact O-N 2.88Å; W526-Q528 PolarHBondContact O-N 3.01Å; Q528-S532 WeakPolarHBondContact O-CB 3.24Å; Q528-S532 PolarHBondContact O-N 3.36Å
529	A	86.4	Confident	83.6	Confident	22 Å²	22	54.6 Å²	54.6	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-67.7	-41	178.8	0	0	0	0	0	111.8	K349 L372 A525 W526 V527 Q533	K349-A529 HydrophobicContact CD-CB 3.71Å; L372-A529 HydrophobicContact CD2-CB 3.83Å; A525-A529 WeakPolarHBondContact O-CB 3.25Å; W526-A529 PolarHBondContact O-N 3.23Å; V527-A529 VanDerWaalsContact C-N 3.34Å; V527-A529 PolarHBondContact O-N 3.08Å; A529-Q533 WeakPolarHBondContact O-CB 3.48Å; A529-Q533 PolarHBondContact O-N 3Å
530	I	88.6	Confident	82.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.2	-43.2	177.7	-62.5	162.9	0	0	0	110.4	L372 L378 L398 V403 F503 I505 W526 V527 Q533 I534	L372-I530 HydrophobicContact CD2-CG1 4.31Å; L378-I530 HydrophobicContact CD1-CD1 3.59Å; L378-I530 HydrophobicContact CD1-CG1 3.77Å; L398-I530 HydrophobicContact CD1-CG2 3.93Å; L398-I530 HydrophobicContact CD2-CG2 3.84Å; V403-I530 HydrophobicContact CG2-CB 3.94Å; V403-I530 HydrophobicContact CG2-CG2 3.35Å; F503-I530 HydrophobicContact CE2-CD1 3.7Å; F503-I530 HydrophobicContact CZ-CD1 4.2Å; I505-I530 HydrophobicContact CD1-CD1 4.13Å; W526-I530 HydrophobicContact CE3-CD1 4.29Å; W526-I530 WeakPolarHBondContact O-CD1 3.19Å; W526-I530 VanDerWaalsContact O-CG1 3.24Å; W526-I530 WeakPolarHBondContact O-CG1 3.37Å; W526-I530 PolarHBondContact O-N 3.3Å; V527-I530 PolarHBondContact O-N 3.31Å; I530-Q533 PolarHBondContact O-N 3.27Å; I530-I534 HydrophobicContact CG2-CD1 3.92Å; I530-I534 VanDerWaalsContact O-CG1 3.24Å; I530-I534 WeakPolarHBondContact O-CG1 3.46Å; I530-I534 PolarHBondContact O-N 3.32Å
531	E	88.2	Confident	80.5	Confident	83 Å²	83	51.7 Å²	51.7	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-43.1	174.6	-73	-179.3	160.8	0	0	111.9	V403 V527 Q533 I534 L535	V403-E531 HydrophobicContact CB-CG 4.19Å; V403-E531 HydrophobicContact CG2-CG 4.16Å; V527-E531 HydrophobicContact CG1-CG 4.22Å; V527-E531 WeakPolarHBondContact O-CB 3.37Å; V527-E531 WeakPolarHBondContact O-CG 3.35Å; V527-E531 PolarHBondContact O-N 2.94Å; E531-Q533 VanDerWaalsContact C-N 3.33Å; E531-Q533 PolarHBondContact O-N 3.49Å; E531-I534 PolarHBondContact O-N 2.78Å; E531-L535 WeakPolarHBondContact O-CB 3.4Å; E531-L535 VanDerWaalsContact O-CG 3.3Å; E531-L535 WeakPolarHBondContact O-CG 3.5Å; E531-L535 PolarHBondContact O-N 3.07Å
532	S	83.3	Confident	78.3	Confident	73 Å²	73	51.3 Å²	51.3	51%	0.51	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-38.7	174.7	-170.3	0	0	0	0	112.1	Q528 L535 A536	Q528-S532 WeakPolarHBondContact O-CB 3.24Å; Q528-S532 PolarHBondContact O-N 3.36Å; S532-L535 PolarHBondContact O-N 2.84Å; S532-A536 WeakPolarHBondContact O-CB 3.42Å; S532-A536 PolarHBondContact O-N 3.22Å
533	Q	85	Confident	76.1	Confident	17 Å²	17	52.6 Å²	52.6	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-70.1	-40.7	176.4	-174.8	60.8	38	0	0	111.7	I348 L372 D374 L398 A529 I530 E531 L535 A536 S537	I348-Q533 VanDerWaalsContact CD1-OE1 3.24Å; L372-Q533 HydrophobicContact CD1-CB 4.21Å; L372-Q533 HydrophobicContact CD1-CG 4.09Å; L372-Q533 HydrophobicContact CD2-CB 4.37Å; D374-Q533 PolarHBondContact O-NE2 3.43Å; L398-Q533 HydrophobicContact CD1-CB 4.37Å; L398-Q533 HydrophobicContact CD1-CG 4.17Å; A529-Q533 WeakPolarHBondContact O-CB 3.48Å; A529-Q533 PolarHBondContact O-N 3Å; I530-Q533 PolarHBondContact O-N 3.27Å; E531-Q533 VanDerWaalsContact C-N 3.33Å; E531-Q533 PolarHBondContact O-N 3.49Å; Q533-L535 VanDerWaalsContact C-N 3.32Å; Q533-L535 PolarHBondContact O-N 3.22Å; Q533-A536 PolarHBondContact O-N 3.15Å; Q533-S537 PolarHBondContact NE2-OG 3.08Å; Q533-S537 WeakPolarHBondContact O-CB 3.37Å; Q533-S537 PolarHBondContact O-N 2.92Å; Q533-S537 PolarHBondContact O-OG 3.4Å
534	I	84.1	Confident	73.8	Confident	17 Å²	17	56 Å²	56	9%	0.087	32%	0.324	C	S	.	.	H	α-helix	trans	-58.5	-46	172.8	-70.1	164.5	0	0	0	110.1	L398 V403 I530 E531 S537 L538	L398-I534 HydrophobicContact CB-CG1 3.87Å; V403-I534 HydrophobicContact CG2-CD1 4.08Å; I530-I534 HydrophobicContact CG2-CD1 3.92Å; I530-I534 VanDerWaalsContact O-CG1 3.24Å; I530-I534 WeakPolarHBondContact O-CG1 3.46Å; I530-I534 PolarHBondContact O-N 3.32Å; E531-I534 PolarHBondContact O-N 2.78Å; I534-S537 PolarHBondContact O-N 3.4Å; I534-L538 HydrophobicContact CG2-CD1 3.8Å; I534-L538 HydrophobicContact CG2-CG 4.39Å; I534-L538 WeakPolarHBondContact O-CB 3.43Å; I534-L538 VanDerWaalsContact O-CG 3.22Å; I534-L538 WeakPolarHBondContact O-CG 3.26Å; I534-L538 PolarHBondContact O-N 3.37Å
535	L	80.9	Confident	71.5	Confident	100 Å²	100	60.6 Å²	60.6	52%	0.524	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-44.3	177.4	-72.4	168.7	0	0	0	112.3	E531 S532 Q533 L538 Q539	E531-L535 WeakPolarHBondContact O-CB 3.4Å; E531-L535 VanDerWaalsContact O-CG 3.3Å; E531-L535 WeakPolarHBondContact O-CG 3.5Å; E531-L535 PolarHBondContact O-N 3.07Å; S532-L535 PolarHBondContact O-N 2.84Å; Q533-L535 VanDerWaalsContact C-N 3.32Å; Q533-L535 PolarHBondContact O-N 3.22Å; L535-L538 PolarHBondContact O-N 3.27Å; L535-Q539 WeakPolarHBondContact O-CB 3.41Å; L535-Q539 VanDerWaalsContact O-CG 3.28Å; L535-Q539 WeakPolarHBondContact O-CG 3.43Å; L535-Q539 PolarHBondContact O-N 2.91Å
536	A	75.4	Confident	69	Low	45 Å²	45	63.3 Å²	63.3	37%	0.372	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-45.5	176.6	0	0	0	0	0	112	S532 Q533 Q539 S540	S532-A536 WeakPolarHBondContact O-CB 3.42Å; S532-A536 PolarHBondContact O-N 3.22Å; Q533-A536 PolarHBondContact O-N 3.15Å; A536-Q539 PolarHBondContact O-N 3.09Å; A536-S540 PolarHBondContact O-N 3.32Å
537	S	70.9	Confident	66.5	Low	14 Å²	14	70.7 Å²	70.7	10%	0.098	38%	0.383	C	S	.	.	H	α-helix	trans	-64.2	-41.6	176.2	-64.4	0	0	0	0	111.8	Q533 I534 S540 C541	Q533-S537 PolarHBondContact NE2-OG 3.08Å; Q533-S537 WeakPolarHBondContact O-CB 3.37Å; Q533-S537 PolarHBondContact O-N 2.92Å; Q533-S537 PolarHBondContact O-OG 3.4Å; I534-S537 PolarHBondContact O-N 3.4Å; S537-S540 PolarHBondContact O-N 3.24Å; S537-S540 PolarHBondContact O-OG 2.83Å; S537-C541 PolarHBondContact O-N 3.19Å; S537-C541 VanDerWaalsContact O-N 3.1Å
538	L	69.4	Low	64.3	Low	80 Å²	80	73.3 Å²	73.3	42%	0.419	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-44.3	174	-73	170.5	0	0	0	112.2	I534 L535 S540 C541 E542	I534-L538 HydrophobicContact CG2-CD1 3.8Å; I534-L538 HydrophobicContact CG2-CG 4.39Å; I534-L538 WeakPolarHBondContact O-CB 3.43Å; I534-L538 VanDerWaalsContact O-CG 3.22Å; I534-L538 WeakPolarHBondContact O-CG 3.26Å; I534-L538 PolarHBondContact O-N 3.37Å; L535-L538 PolarHBondContact O-N 3.27Å; L538-S540 VanDerWaalsContact C-N 3.29Å; L538-S540 PolarHBondContact O-N 3.05Å; L538-C541 CarbonylContact O-C 3.58Å; L538-C541 WeakPolarHBondContact O-CB 3.38Å; L538-C541 PolarHBondContact O-N 3.12Å; L538-C541 VanDerWaalsContact O-N 3.11Å; L538-E542 PolarHBondContact O-N 3.02Å
539	Q	66	Low	61.9	Low	125 Å²	125	75.7 Å²	75.7	58%	0.584	41%	0.405	S	S	*	.	H	α-helix	trans	-63.5	-32.7	175.8	-74	172.9	-2.8	0	0	112.2	L535 A536 E542 S543	L535-Q539 WeakPolarHBondContact O-CB 3.41Å; L535-Q539 VanDerWaalsContact O-CG 3.28Å; L535-Q539 WeakPolarHBondContact O-CG 3.43Å; L535-Q539 PolarHBondContact O-N 2.91Å; A536-Q539 PolarHBondContact O-N 3.09Å; Q539-E542 PolarHBondContact O-N 3.19Å; Q539-S543 PolarHBondContact O-N 2.92Å
540	S	56.4	Low	59.7	Low	60 Å²	60	80.3 Å²	80.3	42%	0.42	43%	0.426	S	S	.	.	H	α-helix	trans	-68.7	-33.5	172.6	80.4	0	0	0	0	112.9	A536 S537 L538 S543 S544	A536-S540 PolarHBondContact O-N 3.32Å; S537-S540 PolarHBondContact O-N 3.24Å; S537-S540 PolarHBondContact O-OG 2.83Å; L538-S540 VanDerWaalsContact C-N 3.29Å; L538-S540 PolarHBondContact O-N 3.05Å; S540-S543 PolarHBondContact O-OG 3.09Å; S540-S544 PolarHBondContact O-N 3.37Å; S540-S544 PolarHBondContact O-OG 3.46Å
541	C	49	Very low	57.9	Low	47 Å²	47	83.1 Å²	83.1	32%	0.318	44%	0.444	S	S	.	.	H	α-helix	trans	-72.7	-30.9	170.7	-67.5	0	0	0	0	112.4	S537 L538 K545	S537-C541 PolarHBondContact O-N 3.19Å; S537-C541 VanDerWaalsContact O-N 3.1Å; L538-C541 CarbonylContact O-C 3.58Å; L538-C541 WeakPolarHBondContact O-CB 3.38Å; L538-C541 PolarHBondContact O-N 3.12Å; L538-C541 VanDerWaalsContact O-N 3.11Å; C541-K545 WeakPolarHBondContact O-CG 3.18Å; C541-K545 PolarHBondContact O-N 3.45Å; C541-K545 VanDerWaalsContact O-N 3.15Å
542	E	40.9	Very low	56.5	Low	117 Å²	117	82 Å²	82	55%	0.547	44%	0.444	S	S	.	.	H	α-helix	trans	-72.7	-34.3	171.8	-70.4	-169.6	147.7	0	0	112.5	L538 Q539 S544 K545 N546	L538-E542 PolarHBondContact O-N 3.02Å; Q539-E542 PolarHBondContact O-N 3.19Å; E542-S544 VanDerWaalsContact C-N 3.28Å; E542-S544 PolarHBondContact O-N 2.95Å; E542-K545 PolarHBondContact O-N 2.92Å; E542-N546 WeakPolarHBondContact O-CB 3.49Å; E542-N546 PolarHBondContact O-N 2.9Å
543	S	39.7	Very low	55.4	Low	72 Å²	72	84.4 Å²	84.4	50%	0.503	45%	0.448	S	S	.	.	H	α-helix	trans	-63.5	-37.5	172.6	81	0	0	0	0	111.3	Q539 S540 N546 K547	Q539-S543 PolarHBondContact O-N 2.92Å; S540-S543 PolarHBondContact O-OG 3.09Å; S543-N546 PolarHBondContact O-N 3.42Å; S543-K547 WeakPolarHBondContact O-CB 3.28Å; S543-K547 PolarHBondContact O-N 3.05Å
544	S	40.8	Very low	54.7	Low	77 Å²	77	86 Å²	86	54%	0.538	46%	0.461	S	S	.	.	H	α-helix	trans	-63.3	-41.3	173.4	-56.9	0	0	0	0	112.3	S540 E542 S548	S540-S544 PolarHBondContact O-N 3.37Å; S540-S544 PolarHBondContact O-OG 3.46Å; E542-S544 VanDerWaalsContact C-N 3.28Å; E542-S544 PolarHBondContact O-N 2.95Å; S544-S548 PolarHBondContact O-N 2.83Å
545	K	38.8	Very low	54.3	Low	140 Å²	140	87.3 Å²	87.3	61%	0.609	47%	0.467	S	S	*	.	H	α-helix	trans	-73.9	-33	176.3	-72	172.8	-178.8	175.2	0	113.6	C541 E542 S548 R549	C541-K545 WeakPolarHBondContact O-CG 3.18Å; C541-K545 PolarHBondContact O-N 3.45Å; C541-K545 VanDerWaalsContact O-N 3.15Å; E542-K545 PolarHBondContact O-N 2.92Å; K545-S548 WeakPolarHBondContact CA-OG 3.33Å; K545-S548 PolarHBondContact O-N 3.48Å; K545-S548 PolarHBondContact O-OG 3.41Å; K545-S548 VanDerWaalsContact O-OG 3.05Å; K545-R549 WeakPolarHBondContact O-CB 3.32Å; K545-R549 PolarHBondContact O-N 3.28Å
546	N	34.3	Very low	54.3	Low	92 Å²	92	85.5 Å²	85.5	49%	0.492	47%	0.466	S	S	.	.	H	α-helix	trans	-72.4	-36	173.5	-74.4	-17.9	0	0	0	110.4	E542 S543 R549 L550	E542-N546 WeakPolarHBondContact O-CB 3.49Å; E542-N546 PolarHBondContact O-N 2.9Å; S543-N546 PolarHBondContact O-N 3.42Å; N546-R549 PolarHBondContact O-N 3.33Å; N546-L550 VanDerWaalsContact O-CB 3.32Å; N546-L550 WeakPolarHBondContact O-CB 3.24Å; N546-L550 VanDerWaalsContact O-CG 3.24Å; N546-L550 WeakPolarHBondContact O-CG 3.37Å; N546-L550 PolarHBondContact O-N 2.88Å
547	K	39.9	Very low	54.8	Low	157 Å²	157	89.1 Å²	89.1	68%	0.683	48%	0.477	S	S	*	.	H	α-helix	trans	-60.4	-51.1	168.4	-162.9	177.1	-175.3	-174.7	0	110.4	S543 R549 L550 T551	S543-K547 WeakPolarHBondContact O-CB 3.28Å; S543-K547 PolarHBondContact O-N 3.05Å; K547-R549 VanDerWaalsContact C-N 3.3Å; K547-R549 PolarHBondContact O-N 3.24Å; K547-L550 PolarHBondContact O-N 2.93Å; K547-T551 WeakPolarHBondContact O-CG2 3.39Å; K547-T551 PolarHBondContact O-N 3Å; K547-T551 PolarHBondContact O-OG1 3.25Å
548	S	43.2	Very low	55.5	Low	65 Å²	65	89.6 Å²	89.6	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-31.5	179.3	76.6	0	0	0	0	113.9	S544 K545 T551 S552	S544-S548 PolarHBondContact O-N 2.83Å; K545-S548 WeakPolarHBondContact CA-OG 3.33Å; K545-S548 PolarHBondContact O-N 3.48Å; K545-S548 PolarHBondContact O-OG 3.41Å; K545-S548 VanDerWaalsContact O-OG 3.05Å; S548-T551 VanDerWaalsContact CA-OG1 3.28Å; S548-T551 WeakPolarHBondContact CA-OG1 3.14Å; S548-T551 PolarHBondContact O-OG1 3.18Å; S548-S552 WeakPolarHBondContact O-CB 3.39Å; S548-S552 PolarHBondContact O-N 2.84Å; S548-S552 PolarHBondContact O-OG 3.35Å
549	R	39.1	Very low	56.5	Low	187 Å²	187	86.6 Å²	86.6	71%	0.706	47%	0.465	S	S	*	.	H	α-helix	trans	-80	-32.6	179.4	-167.8	176.1	-172.5	-173.1	2	113	K545 N546 K547 S552 Q553	K545-R549 WeakPolarHBondContact O-CB 3.32Å; K545-R549 PolarHBondContact O-N 3.28Å; N546-R549 PolarHBondContact O-N 3.33Å; K547-R549 VanDerWaalsContact C-N 3.3Å; K547-R549 PolarHBondContact O-N 3.24Å; R549-S552 WeakPolarHBondContact CA-OG 2.96Å; R549-S552 PolarHBondContact O-OG 3.47Å; R549-Q553 PolarHBondContact O-N 3.34Å
550	L	39.1	Very low	57.7	Low	119 Å²	119	84.9 Å²	84.9	62%	0.623	46%	0.457	S	S	*	.	H	α-helix	trans	-71.2	-43	169	-72.1	167.8	0	0	0	110.5	N546 K547 S552 Q553 S554	N546-L550 VanDerWaalsContact O-CB 3.32Å; N546-L550 WeakPolarHBondContact O-CB 3.24Å; N546-L550 VanDerWaalsContact O-CG 3.24Å; N546-L550 WeakPolarHBondContact O-CG 3.37Å; N546-L550 PolarHBondContact O-N 2.88Å; K547-L550 PolarHBondContact O-N 2.93Å; L550-S552 PolarHBondContact O-N 3.49Å; L550-Q553 PolarHBondContact O-N 3.37Å; L550-S554 PolarHBondContact O-N 2.83Å; L550-S554 PolarHBondContact O-OG 2.67Å
551	T	52.4	Low	59.4	Low	59 Å²	59	84.9 Å²	84.9	36%	0.362	46%	0.458	S	S	.	.	H	α-helix	trans	-62.4	-43.5	175	56.8	0	0	0	0	111.4	K547 S548 Q553 S554 E555	K547-T551 WeakPolarHBondContact O-CG2 3.39Å; K547-T551 PolarHBondContact O-N 3Å; K547-T551 PolarHBondContact O-OG1 3.25Å; S548-T551 VanDerWaalsContact CA-OG1 3.28Å; S548-T551 WeakPolarHBondContact CA-OG1 3.14Å; S548-T551 PolarHBondContact O-OG1 3.18Å; T551-Q553 PolarHBondContact O-N 2.76Å; T551-S554 WeakPolarHBondContact CA-OG 3.37Å; T551-S554 CarbonylContact O-C 3.55Å; T551-S554 PolarHBondContact O-N 3.13Å; T551-S554 VanDerWaalsContact O-N 3.13Å; T551-S554 PolarHBondContact O-OG 2.7Å; T551-E555 WeakPolarHBondContact O-CB 3.35Å; T551-E555 PolarHBondContact O-N 3.39Å
552	S	58.2	Low	61.6	Low	58 Å²	58	82.7 Å²	82.7	41%	0.406	44%	0.443	S	S	.	.	H	α-helix	trans	-61.5	-28.7	176.8	63.9	0	0	0	0	113.3	S548 R549 L550 A556	S548-S552 WeakPolarHBondContact O-CB 3.39Å; S548-S552 PolarHBondContact O-N 2.84Å; S548-S552 PolarHBondContact O-OG 3.35Å; R549-S552 WeakPolarHBondContact CA-OG 2.96Å; R549-S552 PolarHBondContact O-OG 3.47Å; L550-S552 PolarHBondContact O-N 3.49Å; S552-A556 VanDerWaalsContact O-CB 3.31Å; S552-A556 WeakPolarHBondContact O-CB 3.28Å; S552-A556 PolarHBondContact O-N 3.47Å
553	Q	59.8	Low	64.1	Low	124 Å²	124	79.6 Å²	79.6	58%	0.579	43%	0.426	S	S	*	.	H	α-helix	trans	-77.3	-40.7	174.9	-168	173.1	7.9	0	0	111.6	R549 L550 T551 M557	R549-Q553 PolarHBondContact O-N 3.34Å; L550-Q553 PolarHBondContact O-N 3.37Å; T551-Q553 PolarHBondContact O-N 2.76Å; Q553-M557 HydrophobicContact CG-CE 4.44Å; Q553-M557 WeakPolarHBondContact O-CG 3.31Å; Q553-M557 PolarHBondContact O-N 3.1Å; Q553-M557 VanDerWaalsContact O-N 3.13Å
554	S	71.3	Confident	66.7	Low	51 Å²	51	81.7 Å²	81.7	36%	0.357	43%	0.432	S	S	.	.	H	α-helix	trans	-67.9	-34.7	172.7	53.3	0	0	0	0	113	L550 T551 M557 A558	L550-S554 PolarHBondContact O-N 2.83Å; L550-S554 PolarHBondContact O-OG 2.67Å; T551-S554 WeakPolarHBondContact CA-OG 3.37Å; T551-S554 CarbonylContact O-C 3.55Å; T551-S554 PolarHBondContact O-N 3.13Å; T551-S554 VanDerWaalsContact O-N 3.13Å; T551-S554 PolarHBondContact O-OG 2.7Å; S554-M557 PolarHBondContact O-N 3.43Å; S554-A558 VanDerWaalsContact O-CB 3.28Å; S554-A558 WeakPolarHBondContact O-CB 3.43Å; S554-A558 PolarHBondContact O-N 2.92Å
555	E	75.8	Confident	69.3	Low	45 Å²	45	80.3 Å²	80.3	21%	0.21	42%	0.417	C	S	.	.	H	α-helix	trans	-66.6	-47.4	176.4	-178.4	176.9	-167.9	0	0	110.5	T551 M557 A558 L559 W616 M618 I621	T551-E555 WeakPolarHBondContact O-CB 3.35Å; T551-E555 PolarHBondContact O-N 3.39Å; E555-M557 VanDerWaalsContact C-N 3.31Å; E555-M557 PolarHBondContact O-N 3.17Å; E555-A558 PolarHBondContact O-N 3.38Å; E555-A558 VanDerWaalsContact O-N 3.1Å; E555-L559 HydrophobicContact CG-CD1 4.16Å; E555-L559 WeakPolarHBondContact O-CB 3.4Å; E555-L559 WeakPolarHBondContact O-CG 3.17Å; E555-L559 PolarHBondContact O-N 2.77Å; E555-W616 PolarHBondContact OE1-N 2.89Å; E555-M618 HydrophobicContact CB-CE 4.39Å; E555-I621 HydrophobicContact CG-CD1 4.29Å
556	A	80.8	Confident	72	Confident	61 Å²	61	82.1 Å²	82.1	50%	0.504	42%	0.42	S	S	.	.	H	α-helix	trans	-58.8	-40.1	172.6	0	0	0	0	0	112.7	S552 Q560	S552-A556 VanDerWaalsContact O-CB 3.31Å; S552-A556 WeakPolarHBondContact O-CB 3.28Å; S552-A556 PolarHBondContact O-N 3.47Å; A556-Q560 WeakPolarHBondContact O-CB 3.44Å; A556-Q560 PolarHBondContact O-N 3.01Å
557	M	84.6	Confident	74.8	Confident	122 Å²	122	79.3 Å²	79.3	60%	0.601	41%	0.413	S	S	*	.	H	α-helix	trans	-67.8	-36.3	174.2	-70.6	-173.7	-61.4	0	0	112.5	Q553 S554 E555 Q560 S561	Q553-M557 HydrophobicContact CG-CE 4.44Å; Q553-M557 WeakPolarHBondContact O-CG 3.31Å; Q553-M557 PolarHBondContact O-N 3.1Å; Q553-M557 VanDerWaalsContact O-N 3.13Å; S554-M557 PolarHBondContact O-N 3.43Å; E555-M557 VanDerWaalsContact C-N 3.31Å; E555-M557 PolarHBondContact O-N 3.17Å; M557-Q560 PolarHBondContact O-N 3.35Å; M557-S561 PolarHBondContact O-N 3.16Å
558	A	86.2	Confident	77.6	Confident	23 Å²	23	72 Å²	72	19%	0.19	38%	0.381	C	S	.	.	H	α-helix	trans	-75.9	-36.9	179.4	0	0	0	0	0	112.5	S554 E555 Q560 S561 I562 I621	S554-A558 VanDerWaalsContact O-CB 3.28Å; S554-A558 WeakPolarHBondContact O-CB 3.43Å; S554-A558 PolarHBondContact O-N 2.92Å; E555-A558 PolarHBondContact O-N 3.38Å; E555-A558 VanDerWaalsContact O-N 3.1Å; A558-Q560 VanDerWaalsContact C-N 3.29Å; A558-Q560 PolarHBondContact O-N 3.49Å; A558-S561 CarbonylContact O-C 3.58Å; A558-S561 WeakPolarHBondContact O-CA 3.35Å; A558-S561 VanDerWaalsContact O-CB 3.24Å; A558-S561 WeakPolarHBondContact O-CB 3.33Å; A558-S561 PolarHBondContact O-N 3.3Å; A558-I562 WeakPolarHBondContact O-CG1 3.31Å; A558-I562 PolarHBondContact O-N 3.32Å; A558-I621 HydrophobicContact CB-CD1 4.3Å; A558-I621 HydrophobicContact CB-CG2 3.64Å
559	L	90.3	Very high	80.1	Confident	17 Å²	17	71.6 Å²	71.6	9%	0.089	38%	0.379	C	S	.	.	H	α-helix	trans	-61.5	-36.7	168	-71.3	169.5	0	0	0	111.7	E555 I562 R563 L611 W616	E555-L559 HydrophobicContact CG-CD1 4.16Å; E555-L559 WeakPolarHBondContact O-CB 3.4Å; E555-L559 WeakPolarHBondContact O-CG 3.17Å; E555-L559 PolarHBondContact O-N 2.77Å; L559-I562 HydrophobicContact CD2-CD1 4.27Å; L559-I562 PolarHBondContact O-N 2.94Å; L559-R563 WeakPolarHBondContact O-CG 3.32Å; L559-R563 PolarHBondContact O-N 2.95Å; L559-L611 HydrophobicContact CD2-CG 4.33Å; L559-W616 HydrophobicContact CD2-CB 4.26Å; L559-W616 HydrophobicContact CD2-CD2 3.88Å; L559-W616 HydrophobicContact CD2-CG 3.7Å
560	Q	90.3	Very high	82.9	Confident	89 Å²	89	66.4 Å²	66.4	42%	0.416	36%	0.362	S	S	.	.	H	α-helix	trans	-68.3	-35.3	170.2	-168.3	60	49.6	0	0	112.2	A556 M557 A558 I562 R563 N564	A556-Q560 WeakPolarHBondContact O-CB 3.44Å; A556-Q560 PolarHBondContact O-N 3.01Å; M557-Q560 PolarHBondContact O-N 3.35Å; A558-Q560 VanDerWaalsContact C-N 3.29Å; A558-Q560 PolarHBondContact O-N 3.49Å; Q560-I562 VanDerWaalsContact C-N 3.33Å; Q560-I562 PolarHBondContact O-N 3.36Å; Q560-R563 PolarHBondContact O-N 2.86Å; Q560-N564 PolarHBondContact NE2-OD1 3.21Å; Q560-N564 WeakPolarHBondContact O-CB 3.13Å; Q560-N564 PolarHBondContact O-N 3.13Å; Q560-N564 PolarHBondContact O-OD1 2.74Å
561	S	92.1	Very high	85.7	Confident	61 Å²	61	60.8 Å²	60.8	43%	0.427	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-41.6	172.1	-161.3	0	0	0	0	111.7	M557 A558 N564 M565	M557-S561 PolarHBondContact O-N 3.16Å; A558-S561 CarbonylContact O-C 3.58Å; A558-S561 WeakPolarHBondContact O-CA 3.35Å; A558-S561 VanDerWaalsContact O-CB 3.24Å; A558-S561 WeakPolarHBondContact O-CB 3.33Å; A558-S561 PolarHBondContact O-N 3.3Å; S561-N564 CarbonylContact O-C 3.53Å; S561-N564 PolarHBondContact O-N 3.01Å; S561-M565 PolarHBondContact O-N 3.17Å; S561-M565 VanDerWaalsContact O-N 3.17Å
562	I	95.3	Very high	87.8	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-46	174.1	-66.2	162.9	0	0	0	110.7	A558 L559 Q560 N564 M565 N568 L589 L611 I621 M624 S625	A558-I562 WeakPolarHBondContact O-CG1 3.31Å; A558-I562 PolarHBondContact O-N 3.32Å; L559-I562 HydrophobicContact CD2-CD1 4.27Å; L559-I562 PolarHBondContact O-N 2.94Å; Q560-I562 VanDerWaalsContact C-N 3.33Å; Q560-I562 PolarHBondContact O-N 3.36Å; I562-N564 PolarHBondContact O-N 3.05Å; I562-M565 WeakPolarHBondContact O-CB 3.1Å; I562-M565 PolarHBondContact O-N 2.97Å; I562-N568 WeakPolarHBondContact O-CB 3.32Å; I562-N568 PolarHBondContact O-ND2 2.88Å; I562-L589 HydrophobicContact CG2-CD1 4.22Å; I562-L589 HydrophobicContact CG2-CD2 4.09Å; I562-L589 HydrophobicContact CG2-CG 4.43Å; I562-L611 HydrophobicContact CG2-CD2 4.42Å; I562-I621 HydrophobicContact CD1-CB 4.33Å; I562-I621 HydrophobicContact CD1-CG1 4.36Å; I562-I621 HydrophobicContact CD1-CG2 3.99Å; I562-M624 HydrophobicContact CD1-CB 3.67Å; I562-M624 HydrophobicContact CG1-CB 3.85Å; I562-M624 HydrophobicContact CG2-CB 3.92Å; I562-M624 HydrophobicContact CG2-CE 4.43Å; I562-S625 VanDerWaalsContact CG1-OG 3.3Å; I562-S625 WeakPolarHBondContact CG1-OG 3.36Å
563	R	95.1	Very high	89.7	Confident	53 Å²	53	55.3 Å²	55.3	20%	0.2	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-33	175.1	-73.1	175.3	167.5	116.9	-2.6	113	L559 Q560 M565 N580 L611 D612	L559-R563 WeakPolarHBondContact O-CG 3.32Å; L559-R563 PolarHBondContact O-N 2.95Å; Q560-R563 PolarHBondContact O-N 2.86Å; R563-M565 VanDerWaalsContact C-N 3.35Å; R563-N580 PolarHBondContact NE-OD1 3.49Å; R563-N580 VanDerWaalsContact NE-OD1 3.14Å; R563-N580 PolarHBondContact NH2-ND2 2.74Å; R563-N580 PolarHBondContact NH2-OD1 2.8Å; R563-L611 HydrophobicContact CG-CD2 3.83Å; R563-D612 IonicContact CZ-OD1 3.95Å; R563-D612 IonicContact NH1-OD1 3.56Å; R563-D612 IonicContact NH2-OD1 3.41Å; R563-D612 PolarHBondContact NH2-OD1 3.36Å; R563-D612 IonicContact NH2-OD2 2.69Å; R563-D612 PolarHBondContact NH2-OD2 3.48Å
564	N	94	Very high	91.4	Very high	116 Å²	116	49.4 Å²	49.4	62%	0.62	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.4	-180	-66.4	-1.3	0	0	0	114.1	Q560 S561 I562	Q560-N564 PolarHBondContact NE2-OD1 3.21Å; Q560-N564 WeakPolarHBondContact O-CB 3.13Å; Q560-N564 PolarHBondContact O-N 3.13Å; Q560-N564 PolarHBondContact O-OD1 2.74Å; S561-N564 CarbonylContact O-C 3.53Å; S561-N564 PolarHBondContact O-N 3.01Å; I562-N564 PolarHBondContact O-N 3.05Å
565	M	94.7	Very high	92.6	Very high	48 Å²	48	50.5 Å²	50.5	24%	0.236	27%	0.271	C	S	.	.	S	Bend	trans	-63.1	158.8	175.1	-75.2	-66.8	-74.6	0	0	111.9	S561 I562 R563 G567 N568 S625	S561-M565 PolarHBondContact O-N 3.17Å; S561-M565 VanDerWaalsContact O-N 3.17Å; I562-M565 WeakPolarHBondContact O-CB 3.1Å; I562-M565 PolarHBondContact O-N 2.97Å; R563-M565 VanDerWaalsContact C-N 3.35Å; M565-G567 PolarHBondContact O-N 3.19Å; M565-N568 HydrophobicContact CB-CB 4.13Å; M565-N568 WeakPolarHBondContact O-CB 3.29Å; M565-N568 PolarHBondContact O-N 2.9Å; M565-S625 WeakPolarHBondContact CE-O 3.44Å; M565-S625 VanDerWaalsContact SD-O 3.39Å
566	R	94.9	Very high	93.6	Very high	178 Å²	178	49.9 Å²	49.9	67%	0.672	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	129.6	-178.5	-64.9	-164.6	-175.5	-177.2	0	112.1	N568 N629 E630	R566-N568 PolarHBondContact O-N 2.7Å; R566-N629 PolarHBondContact O-N 2.79Å; R566-E630 HydrophobicContact CB-CB 3.66Å; R566-E630 HydrophobicContact CB-CG 4.29Å; R566-E630 WeakPolarHBondContact CB-OE2 3.3Å; R566-E630 VanDerWaalsContact CD-CD 3.4Å; R566-E630 WeakPolarHBondContact CD-OE1 3.21Å; R566-E630 WeakPolarHBondContact CD-OE2 3.33Å; R566-E630 IonicContact CZ-OE1 2.79Å; R566-E630 IonicContact NE-OE1 2.67Å; R566-E630 IonicContact NH1-OE1 3.8Å; R566-E630 PolarHBondContact NH1-OE1 3.18Å; R566-E630 PolarHBondContact O-N 2.92Å
567	G	94.9	Very high	94.3	Very high	32 Å²	32	52.9 Å²	52.9	33%	0.33	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	-15.6	-173.3	0	0	0	0	0	115.6	M565 S569 H570	M565-G567 PolarHBondContact O-N 3.19Å; G567-S569 PolarHBondContact O-N 2.71Å; G567-S569 VanDerWaalsContact O-N 3.08Å; G567-H570 PolarHBondContact O-N 3.35Å; G567-H570 VanDerWaalsContact O-N 3.1Å
568	N	97.4	Very high	94.7	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.3	-173	-80.7	13.1	0	0	0	114.7	I562 M565 R566 H570 P579 L589 G628 N629	I562-N568 WeakPolarHBondContact O-CB 3.32Å; I562-N568 PolarHBondContact O-ND2 2.88Å; M565-N568 HydrophobicContact CB-CB 4.13Å; M565-N568 WeakPolarHBondContact O-CB 3.29Å; M565-N568 PolarHBondContact O-N 2.9Å; R566-N568 PolarHBondContact O-N 2.7Å; N568-H570 PolarHBondContact O-N 3.5Å; N568-P579 WeakPolarHBondContact O-CD 3.36Å; N568-P579 VanDerWaalsContact O-CG 3.24Å; N568-P579 WeakPolarHBondContact O-CG 3.35Å; N568-L589 HydrophobicContact CB-CD1 3.75Å; N568-L589 HydrophobicContact CB-CG 4.26Å; N568-G628 VanDerWaalsContact OD1-CA 3.28Å; N568-G628 WeakPolarHBondContact OD1-CA 3.4Å; N568-N629 WeakPolarHBondContact OD1-CB 3.28Å; N568-N629 PolarHBondContact OD1-N 3.23Å; N568-N629 PolarHBondContact OD1-OD1 3.1Å
569	S	96.5	Very high	95.2	Very high	58 Å²	58	51.8 Å²	51.8	41%	0.406	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.2	168.4	52.4	0	0	0	0	113.7	G567 Q577 N578	G567-S569 PolarHBondContact O-N 2.71Å; G567-S569 VanDerWaalsContact O-N 3.08Å; S569-Q577 CarbonylContact O-C 3.45Å; S569-Q577 WeakPolarHBondContact O-CA 3.39Å; S569-N578 PolarHBondContact O-N 3.27Å
570	H	97.1	Very high	95.5	Very high	78 Å²	78	53.5 Å²	53.5	36%	0.361	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-133.7	145	-177.1	-61.8	73.2	0	0	0	110.5	G567 N568 V572 D575 T576 N629	G567-H570 PolarHBondContact O-N 3.35Å; G567-H570 VanDerWaalsContact O-N 3.1Å; N568-H570 PolarHBondContact O-N 3.5Å; H570-V572 PolarHBondContact O-N 3.28Å; H570-D575 HydrophobicContact CB-CB 4.34Å; H570-D575 PolarHBondContact CD2-O 2.97Å; H570-D575 VanDerWaalsContact CD2-O 3.27Å; H570-T576 CarbonylContact C-O 3.56Å; H570-N629 PolarHBondContact O-ND2 3.41Å
571	C	97.8	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.			trans	-57.5	129.6	179.9	176.6	0	0	0	0	111.6	D573 C574 D575 T576 C591	C571-D573 PolarHBondContact O-N 2.76Å; C571-C574 PolarHBondContact O-N 2.73Å; C571-D575 WeakPolarHBondContact O-CA 3.26Å; C571-D575 PolarHBondContact O-N 3.46Å; C571-T576 WeakPolarHBondContact CB-O 3.4Å; C571-T576 PolarHBondContact N-O 3.17Å; C571-C591 HydrophobicContact CB-CB 4.13Å; C571-C591 PolarHBondContact SG-N 2.9Å
572	V	97.5	Very high	96.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.9	-176.4	68.6	0	0	0	0	113.9	H570 A588 L589 M590 N629 N633 K645 K662	H570-V572 PolarHBondContact O-N 3.28Å; V572-A588 HydrophobicContact CB-CB 4.09Å; V572-A588 HydrophobicContact CG1-CB 4.06Å; V572-A588 HydrophobicContact CG2-CB 3.87Å; V572-L589 WeakPolarHBondContact CB-O 3.42Å; V572-L589 WeakPolarHBondContact CG1-O 3.23Å; V572-L589 PolarHBondContact N-O 3.2Å; V572-M590 HydrophobicContact CG1-CB 4.21Å; V572-M590 HydrophobicContact CG1-CE 4.33Å; V572-N629 HydrophobicContact CB-CB 4.31Å; V572-N629 HydrophobicContact CG2-CB 4.23Å; V572-N629 PolarHBondContact N-ND2 2.93Å; V572-N633 WeakPolarHBondContact CG2-OD1 3.42Å; V572-N633 PolarHBondContact O-ND2 3.4Å; V572-N633 PolarHBondContact O-OD1 3.2Å; V572-K645 WeakPolarHBondContact O-CE 3.35Å; V572-K645 PolarHBondContact O-NZ 3.4Å; V572-K662 PolarHBondContact O-NZ 3.29Å; V572-K662 VanDerWaalsContact O-NZ 3.13Å
573	D	97.7	Very high	96.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-23.6	-173.1	-51.1	-56.7	0	0	0	115.9	C571 H598 K645 P646 I659 K662 Y663	C571-D573 PolarHBondContact O-N 2.76Å; D573-H598 IonicContact OD2-CD2 3.94Å; D573-H598 IonicContact OD2-NE2 3.79Å; D573-H598 PolarHBondContact OD2-NE2 3.45Å; D573-K645 VanDerWaalsContact O-CE 3.24Å; D573-K645 WeakPolarHBondContact O-CE 3.45Å; D573-K645 WeakPolarHBondContact O-CG 3.4Å; D573-P646 WeakPolarHBondContact O-CD 3.28Å; D573-P646 WeakPolarHBondContact O-CG 3.44Å; D573-I659 HydrophobicContact CB-CD1 4.06Å; D573-I659 HydrophobicContact CB-CG1 3.84Å; D573-K662 IonicContact OD1-NZ 2.65Å; D573-K662 PolarHBondContact OD1-NZ 2.93Å; D573-Y663 WeakPolarHBondContact OD1-CE2 3.35Å; D573-Y663 PolarHBondContact OD1-OH 3.45Å
574	C	96	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.8	16.5	-173.9	71.6	0	0	0	0	114.1	C571 T576 C594 P646 K655	C571-C574 PolarHBondContact O-N 2.73Å; C574-T576 PolarHBondContact O-N 3.02Å; C574-T576 PolarHBondContact SG-OG1 3Å; C574-C594 PolarHBondContact SG-SG 3.38Å; C574-P646 VanDerWaalsContact CA-O 3.28Å; C574-P646 WeakPolarHBondContact CA-O 3.42Å; C574-P646 HydrophobicContact CB-CB 4.47Å; C574-P646 HydrophobicContact CB-CG 4.01Å; C574-K655 HydrophobicContact CB-CG 4.34Å
575	D	95.8	Very high	96.3	Very high	74 Å²	74	40.8 Å²	40.8	40%	0.396	21%	0.208	S	C	.	.			trans	52	18	174.5	-51.2	-35.9	0	0	0	116.2	H570 C571 Q577 K645	H570-D575 HydrophobicContact CB-CB 4.34Å; H570-D575 PolarHBondContact CD2-O 2.97Å; H570-D575 VanDerWaalsContact CD2-O 3.27Å; C571-D575 WeakPolarHBondContact O-CA 3.26Å; C571-D575 PolarHBondContact O-N 3.46Å; D575-Q577 PolarHBondContact O-N 3.41Å; D575-K645 WeakPolarHBondContact OD1-CE 3.46Å; D575-K645 IonicContact OD1-NZ 3.68Å; D575-K645 PolarHBondContact OD1-NZ 3.09Å; D575-K645 IonicContact OD2-NZ 3.49Å
576	T	96.2	Very high	96.4	Very high	32 Å²	32	38.7 Å²	38.7	20%	0.196	20%	0.198	C	C	.	.			trans	-59.7	123.3	171.2	-56.5	0	0	0	0	111.2	H570 C571 C574 C591 L648	H570-T576 CarbonylContact C-O 3.56Å; C571-T576 WeakPolarHBondContact CB-O 3.4Å; C571-T576 PolarHBondContact N-O 3.17Å; C574-T576 PolarHBondContact O-N 3.02Å; C574-T576 PolarHBondContact SG-OG1 3Å; T576-C591 HydrophobicContact CG2-CB 3.87Å; T576-L648 HydrophobicContact CG2-CD2 3.88Å
577	Q	96	Very high	96.5	Very high	125 Å²	125	30.2 Å²	30.2	58%	0.584	17%	0.166	S	C	*	.	B	Isolated β-bridge	trans	-60.9	150.5	-175.6	-64.6	175	34.7	0	0	113.3	S569 D575	S569-Q577 CarbonylContact O-C 3.45Å; S569-Q577 WeakPolarHBondContact O-CA 3.39Å; D575-Q577 PolarHBondContact O-N 3.41Å
578	N	93.6	Very high	96.7	Very high	120 Å²	120	28.7 Å²	28.7	64%	0.642	15%	0.15	S	C	*	.	S	Bend	trans	53.4	58.5	175.5	-55.3	-60.5	0	0	0	114.6	S569 N580	S569-N578 PolarHBondContact O-N 3.27Å; N578-N580 PolarHBondContact O-N 3.11Å
579	P	96.6	Very high	96.7	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.013	15%	0.149	C	C	.	.			trans	-66.1	118.3	177.4	29.2	-36.8	0	0	0	112.8	N568 L589 M590	N568-P579 WeakPolarHBondContact O-CD 3.36Å; N568-P579 VanDerWaalsContact O-CG 3.24Å; N568-P579 WeakPolarHBondContact O-CG 3.35Å; P579-L589 HydrophobicContact CB-CB 3.87Å; P579-L589 HydrophobicContact CG-CB 3.61Å; P579-L589 HydrophobicContact CG-CD1 4.32Å; P579-M590 WeakPolarHBondContact CB-O 3.36Å
580	N	95.3	Very high	96.8	Very high	52 Å²	52	25.8 Å²	25.8	28%	0.278	13%	0.13	S	C	.	.			trans	-104.4	15.3	178	-76.3	-5.4	0	0	0	114.3	R563 N578 L611 D612	R563-N580 PolarHBondContact NE-OD1 3.49Å; R563-N580 VanDerWaalsContact NE-OD1 3.14Å; R563-N580 PolarHBondContact NH2-ND2 2.74Å; R563-N580 PolarHBondContact NH2-OD1 2.8Å; N578-N580 PolarHBondContact O-N 3.11Å; N580-L611 PolarHBondContact O-N 3.27Å; N580-D612 WeakPolarHBondContact CB-OD2 3.46Å; N580-D612 VanDerWaalsContact CG-OD2 3.29Å; N580-D612 PolarHBondContact ND2-OD2 2.84Å
581	W	98	Very high	96.8	Very high	38 Å²	38	22.6 Å²	22.6	14%	0.144	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	155.1	168.2	-65.9	83.6	0	0	0	109.9	L589 M590 I592 V608 R609 L613	W581-L589 CarbonylContact O-C 3.57Å; W581-L589 VanDerWaalsContact O-CA 3.24Å; W581-L589 WeakPolarHBondContact O-CA 3.46Å; W581-M590 HydrophobicContact CB-CG 3.89Å; W581-M590 WeakPolarHBondContact CB-O 3.49Å; W581-M590 PolarHBondContact N-O 3.15Å; W581-M590 VanDerWaalsContact N-O 3.13Å; W581-M590 PolarHBondContact O-N 3.17Å; W581-I592 VanDerWaalsContact CD1-CA 3.48Å; W581-V608 HydrophobicContact CE3-CG1 3.92Å; W581-R609 CarbonylContact C-O 3.53Å; W581-R609 WeakPolarHBondContact CA-O 3.32Å; W581-L613 HydrophobicContact CH2-CD1 4.34Å; W581-L613 HydrophobicContact CZ2-CD1 4.33Å
582	A	98.1	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.6	-179.1	0	0	0	0	0	111.2	A588 L589 V608 R609 L611 W616 M624	A582-A588 CarbonylContact C-O 3.57Å; A582-A588 VanDerWaalsContact CA-O 3.27Å; A582-A588 WeakPolarHBondContact CA-O 3.45Å; A582-L589 HydrophobicContact CB-CD2 3.72Å; A582-V608 CarbonylContact O-C 3.57Å; A582-V608 VanDerWaalsContact O-CA 3.28Å; A582-V608 WeakPolarHBondContact O-CA 3.41Å; A582-R609 PolarHBondContact N-O 3.3Å; A582-R609 PolarHBondContact O-N 3.13Å; A582-L611 HydrophobicContact CB-CD1 3.85Å; A582-W616 HydrophobicContact CB-CH2 3.86Å; A582-W616 HydrophobicContact CB-CZ2 4.29Å; A582-M624 HydrophobicContact CB-CE 3.73Å; A582-M624 HydrophobicContact CB-SD 4.23Å
583	S	98.1	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115	157.6	-178.7	0	0	0	0	109.6	N585 L586 G587 A588 S606 R607	S583-N585 PolarHBondContact O-N 3Å; S583-N585 PolarHBondContact OG-OD1 3.22Å; S583-L586 PolarHBondContact O-N 3.06Å; S583-G587 PolarHBondContact O-N 3.48Å; S583-A588 PolarHBondContact N-O 3.44Å; S583-A588 PolarHBondContact O-N 2.84Å; S583-S606 WeakPolarHBondContact CB-OG 3.49Å; S583-S606 PolarHBondContact OG-OG 3.4Å; S583-R607 PolarHBondContact OG-N 2.85Å
584	L	96.4	Very high	96.7	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.047	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-61.6	-48.5	-170.5	-62.1	173.7	0	0	0	112.2	L586 G587 R607 R609 W616 L620 M624 W737	L584-L586 PolarHBondContact O-N 3Å; L584-G587 PolarHBondContact O-N 2.87Å; L584-R607 HydrophobicContact CB-CB 4.2Å; L584-R607 HydrophobicContact CD1-CB 4.49Å; L584-R607 WeakPolarHBondContact CG-O 3.29Å; L584-R607 PolarHBondContact N-O 2.92Å; L584-R609 HydrophobicContact CD1-CG 3.81Å; L584-R609 HydrophobicContact CD2-CG 4.26Å; L584-R609 HydrophobicContact CG-CG 4.08Å; L584-W616 HydrophobicContact CD2-CH2 3.63Å; L584-W616 HydrophobicContact CD2-CZ3 3.58Å; L584-L620 HydrophobicContact CD1-CD1 3.98Å; L584-L620 HydrophobicContact CD1-CD2 4.24Å; L584-L620 HydrophobicContact CD2-CB 4.26Å; L584-L620 HydrophobicContact CD2-CD1 4.12Å; L584-M624 HydrophobicContact CD2-CG 4.44Å; L584-M624 HydrophobicContact CD2-SD 4.41Å; L584-W737 VanDerWaalsContact C-CZ3 3.47Å; L584-W737 HydrophobicContact CB-CH2 3.69Å; L584-W737 HydrophobicContact CB-CZ2 4.3Å; L584-W737 HydrophobicContact CB-CZ3 3.85Å; L584-W737 VanDerWaalsContact O-CZ3 3.29Å; L584-W737 WeakPolarHBondContact O-CZ3 3.44Å
585	N	94.6	Very high	96.8	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.032	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-76.7	-6.1	-177.3	68	-74.9	0	0	0	114.5	S583 L605 S606 R607 W737 Y738	S583-N585 PolarHBondContact O-N 3Å; S583-N585 PolarHBondContact OG-OD1 3.22Å; N585-L605 PolarHBondContact ND2-O 2.96Å; N585-S606 WeakPolarHBondContact OD1-CA 3.19Å; N585-R607 WeakPolarHBondContact OD1-CB 3.32Å; N585-R607 WeakPolarHBondContact OD1-CG 3.42Å; N585-R607 PolarHBondContact OD1-N 3.34Å; N585-W737 HydrophobicContact CB-CB 4.26Å; N585-W737 HydrophobicContact CB-CD2 4.38Å; N585-W737 HydrophobicContact CB-CE3 3.83Å; N585-Y738 HydrophobicContact CB-CE2 4.19Å; N585-Y738 WeakPolarHBondContact O-CE2 3.4Å; N585-Y738 PolarHBondContact O-OH 3Å
586	L	96.9	Very high	96.8	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-104.9	-11	171.7	-58	175.5	0	0	0	111.8	S583 L584 A588 W636 Y663	S583-L586 PolarHBondContact O-N 3.06Å; L584-L586 PolarHBondContact O-N 3Å; L586-A588 HydrophobicContact CB-CB 4.32Å; L586-A588 PolarHBondContact O-N 3.08Å; L586-W636 HydrophobicContact CD2-CZ2 3.77Å; L586-Y663 HydrophobicContact CD1-CD1 3.86Å; L586-Y663 HydrophobicContact CD1-CE1 3.53Å; L586-Y663 HydrophobicContact CD1-CE2 4.44Å; L586-Y663 HydrophobicContact CD1-CG 4.44Å; L586-Y663 HydrophobicContact CD2-CD1 4.06Å; L586-Y663 HydrophobicContact CD2-CE1 3.97Å; L586-Y663 HydrophobicContact CG-CE1 4.32Å
587	G	96.8	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	17.9	-179.3	0	0	0	0	0	115.2	S583 L584 M624 G628	S583-G587 PolarHBondContact O-N 3.48Å; L584-G587 PolarHBondContact O-N 2.87Å; G587-M624 VanDerWaalsContact C-CE 3.45Å; G587-G628 WeakPolarHBondContact O-CA 3.44Å; G587-G628 PolarHBondContact O-N 3.39Å
588	A	98	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.9	-161.8	0	0	0	0	0	113.6	V572 A582 S583 L586 N629 A632	V572-A588 HydrophobicContact CB-CB 4.09Å; V572-A588 HydrophobicContact CG1-CB 4.06Å; V572-A588 HydrophobicContact CG2-CB 3.87Å; A582-A588 CarbonylContact C-O 3.57Å; A582-A588 VanDerWaalsContact CA-O 3.27Å; A582-A588 WeakPolarHBondContact CA-O 3.45Å; S583-A588 PolarHBondContact N-O 3.44Å; S583-A588 PolarHBondContact O-N 2.84Å; L586-A588 HydrophobicContact CB-CB 4.32Å; L586-A588 PolarHBondContact O-N 3.08Å; A588-N629 VanDerWaalsContact CA-OD1 3.23Å; A588-N629 WeakPolarHBondContact CA-OD1 3.3Å; A588-N629 WeakPolarHBondContact CB-OD1 3.49Å; A588-A632 HydrophobicContact CB-CB 3.96Å
589	L	98.4	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.4	175.6	-58.8	-169	0	0	0	113	I562 N568 V572 P579 W581 A582 L611 M624 N629	I562-L589 HydrophobicContact CG2-CD1 4.22Å; I562-L589 HydrophobicContact CG2-CD2 4.09Å; I562-L589 HydrophobicContact CG2-CG 4.43Å; N568-L589 HydrophobicContact CB-CD1 3.75Å; N568-L589 HydrophobicContact CB-CG 4.26Å; V572-L589 WeakPolarHBondContact CB-O 3.42Å; V572-L589 WeakPolarHBondContact CG1-O 3.23Å; V572-L589 PolarHBondContact N-O 3.2Å; P579-L589 HydrophobicContact CB-CB 3.87Å; P579-L589 HydrophobicContact CG-CB 3.61Å; P579-L589 HydrophobicContact CG-CD1 4.32Å; W581-L589 CarbonylContact O-C 3.57Å; W581-L589 VanDerWaalsContact O-CA 3.24Å; W581-L589 WeakPolarHBondContact O-CA 3.46Å; A582-L589 HydrophobicContact CB-CD2 3.72Å; L589-L611 HydrophobicContact CD1-CD2 4.12Å; L589-L611 HydrophobicContact CD2-CD1 3.62Å; L589-L611 HydrophobicContact CD2-CD2 4.13Å; L589-M624 HydrophobicContact CD2-CE 3.61Å; L589-M624 HydrophobicContact CG-CE 4.43Å; L589-N629 PolarHBondContact N-OD1 3.43Å; L589-N629 PolarHBondContact O-ND2 3.11Å
590	M	98	Very high	97.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.5	-176.9	57.1	-170.3	54.3	0	0	112	V572 P579 W581 C594 H598	V572-M590 HydrophobicContact CG1-CB 4.21Å; V572-M590 HydrophobicContact CG1-CE 4.33Å; P579-M590 WeakPolarHBondContact CB-O 3.36Å; W581-M590 HydrophobicContact CB-CG 3.89Å; W581-M590 WeakPolarHBondContact CB-O 3.49Å; W581-M590 PolarHBondContact N-O 3.15Å; W581-M590 VanDerWaalsContact N-O 3.13Å; W581-M590 PolarHBondContact O-N 3.17Å; M590-C594 HydrophobicContact CB-CB 4.14Å; M590-H598 HydrophobicContact CE-CB 4.31Å; M590-H598 HydrophobicContact SD-CB 3.87Å
591	C	97.3	Very high	97.1	Very high	11 Å²	11	24.2 Å²	24.2	7%	0.074	12%	0.12	C	C	.	.			trans	-74.9	168.5	173.2	72.7	0	0	0	0	111.2	C571 T576 E593 C594 S595	C571-C591 HydrophobicContact CB-CB 4.13Å; C571-C591 PolarHBondContact SG-N 2.9Å; T576-C591 HydrophobicContact CG2-CB 3.87Å; C591-E593 VanDerWaalsContact C-N 3.28Å; C591-E593 PolarHBondContact O-N 3.49Å; C591-C594 PolarHBondContact O-N 3.1Å; C591-C594 VanDerWaalsContact SG-SG 3.63Å; C591-S595 WeakPolarHBondContact O-CB 3.44Å; C591-S595 PolarHBondContact O-N 3.13Å
592	I	96	Very high	96.8	Very high	122 Å²	122	23.7 Å²	23.7	63%	0.626	13%	0.125	S	C	*	.	H	α-helix	trans	-58.8	-36.9	-178.6	-172.1	165.2	0	0	0	113.1	W581 S595 G596	W581-I592 VanDerWaalsContact CD1-CA 3.48Å; I592-S595 PolarHBondContact O-N 3.1Å; I592-S595 PolarHBondContact O-OG 3.43Å; I592-G596 PolarHBondContact O-N 2.9Å
593	E	96.8	Very high	96.5	Very high	60 Å²	60	28.8 Å²	28.8	28%	0.28	16%	0.157	S	C	.	.	H	α-helix	trans	-66.6	-53.6	179.2	-172.6	-179.4	-168.8	0	0	111.7	C591 S595 G596 I597 R652 K655	C591-E593 VanDerWaalsContact C-N 3.28Å; C591-E593 PolarHBondContact O-N 3.49Å; E593-S595 VanDerWaalsContact C-N 3.26Å; E593-S595 PolarHBondContact O-N 2.78Å; E593-G596 WeakPolarHBondContact O-CA 3.28Å; E593-G596 PolarHBondContact O-N 3.23Å; E593-I597 PolarHBondContact O-N 3.03Å; E593-R652 WeakPolarHBondContact OE1-CA 3.31Å; E593-R652 WeakPolarHBondContact OE1-CB 3.37Å; E593-K655 HydrophobicContact CG-CD 4.46Å; E593-K655 IonicContact OE1-NZ 3.76Å; E593-K655 WeakPolarHBondContact OE2-CD 3.49Å; E593-K655 WeakPolarHBondContact OE2-CE 3.27Å; E593-K655 IonicContact OE2-NZ 2.89Å; E593-K655 PolarHBondContact OE2-NZ 2.84Å
594	C	97.9	Very high	95.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-36.4	175.4	-64.1	0	0	0	0	111.8	C574 M590 C591 G596 I597 H598 I659	C574-C594 PolarHBondContact SG-SG 3.38Å; M590-C594 HydrophobicContact CB-CB 4.14Å; C591-C594 PolarHBondContact O-N 3.1Å; C591-C594 VanDerWaalsContact SG-SG 3.63Å; C594-G596 PolarHBondContact O-N 3.42Å; C594-I597 PolarHBondContact O-N 3.36Å; C594-H598 PolarHBondContact O-CD2 3.05Å; C594-H598 PolarHBondContact O-N 3.31Å; C594-I659 HydrophobicContact CB-CD1 3.82Å
595	S	97.9	Very high	95.8	Very high	4 Å²	4	37 Å²	37	3%	0.028	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-33	173.4	89.8	0	0	0	0	113	C591 I592 E593 R599	C591-S595 WeakPolarHBondContact O-CB 3.44Å; C591-S595 PolarHBondContact O-N 3.13Å; I592-S595 PolarHBondContact O-N 3.1Å; I592-S595 PolarHBondContact O-OG 3.43Å; E593-S595 VanDerWaalsContact C-N 3.26Å; E593-S595 PolarHBondContact O-N 2.78Å; S595-R599 VanDerWaalsContact O-CG 3.26Å; S595-R599 WeakPolarHBondContact O-CG 3.34Å; S595-R599 PolarHBondContact O-N 2.86Å; S595-R599 VanDerWaalsContact O-N 3.1Å
596	G	96.8	Very high	95.9	Very high	20 Å²	20	36.9 Å²	36.9	21%	0.206	20%	0.195	C	C	.	.	H	α-helix	trans	-69.1	-32.9	174.5	0	0	0	0	0	113.1	I592 E593 C594	I592-G596 PolarHBondContact O-N 2.9Å; E593-G596 WeakPolarHBondContact O-CA 3.28Å; E593-G596 PolarHBondContact O-N 3.23Å; C594-G596 PolarHBondContact O-N 3.42Å
597	I	98	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-76.2	-44.2	174.6	-60.8	163.6	0	0	0	110.1	E593 C594 R599 N600 L601 R652 K655 E656 I659	E593-I597 PolarHBondContact O-N 3.03Å; C594-I597 PolarHBondContact O-N 3.36Å; I597-R599 PolarHBondContact O-N 3.39Å; I597-N600 WeakPolarHBondContact O-CA 3.41Å; I597-N600 WeakPolarHBondContact O-CB 3.35Å; I597-N600 PolarHBondContact O-N 3.42Å; I597-L601 PolarHBondContact O-N 2.95Å; I597-R652 HydrophobicContact CD1-CG 4.39Å; I597-K655 HydrophobicContact CD1-CB 3.86Å; I597-E656 HydrophobicContact CD1-CB 4Å; I597-E656 HydrophobicContact CG1-CB 4.24Å; I597-E656 HydrophobicContact CG2-CB 3.93Å; I597-E656 HydrophobicContact CG2-CG 3.81Å; I597-I659 HydrophobicContact CB-CD1 4.02Å; I597-I659 HydrophobicContact CD1-CD1 3.91Å; I597-I659 HydrophobicContact CG2-CB 4Å; I597-I659 HydrophobicContact CG2-CD1 3.97Å; I597-I659 HydrophobicContact CG2-CG2 3.67Å
598	H	98.1	Very high	95.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-30.3	176	-90.3	-99.7	0	0	0	113.5	D573 M590 C594 N600 L601 S606 V608 Y663	D573-H598 IonicContact OD2-CD2 3.94Å; D573-H598 IonicContact OD2-NE2 3.79Å; D573-H598 PolarHBondContact OD2-NE2 3.45Å; M590-H598 HydrophobicContact CE-CB 4.31Å; M590-H598 HydrophobicContact SD-CB 3.87Å; C594-H598 PolarHBondContact O-CD2 3.05Å; C594-H598 PolarHBondContact O-N 3.31Å; H598-N600 VanDerWaalsContact C-N 3.32Å; H598-L601 PolarHBondContact O-N 2.92Å; H598-S606 WeakPolarHBondContact ND1-CB 3.45Å; H598-S606 PolarHBondContact ND1-OG 2.84Å; H598-V608 HydrophobicContact CB-CG2 3.69Å; H598-Y663 AromaticContact CE1-CD2 3.46Å; H598-Y663 VanDerWaalsContact CE1-CD2 3.46Å; H598-Y663 WeakPolarHBondContact CE1-CD2 3.24Å; H598-Y663 AromaticContact CE1-CE2 3.22Å; H598-Y663 WeakPolarHBondContact CE1-CE2 3.34Å; H598-Y663 AromaticContact CE1-CZ 3.86Å; H598-Y663 AromaticContact NE2-CD2 3.72Å; H598-Y663 AromaticContact NE2-CE2 3.34Å; H598-Y663 VanDerWaalsContact NE2-CE2 3.34Å; H598-Y663 WeakPolarHBondContact NE2-CE2 3.22Å
599	R	96.6	Very high	95.8	Very high	130 Å²	130	45.2 Å²	45.2	49%	0.491	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-34.4	170.3	-74.7	166.1	-175.9	-80.8	1.8	112.6	S595 I597 L601 G602 V608	S595-R599 VanDerWaalsContact O-CG 3.26Å; S595-R599 WeakPolarHBondContact O-CG 3.34Å; S595-R599 PolarHBondContact O-N 2.86Å; S595-R599 VanDerWaalsContact O-N 3.1Å; I597-R599 PolarHBondContact O-N 3.39Å; R599-L601 VanDerWaalsContact C-N 3.31Å; R599-L601 PolarHBondContact O-N 2.83Å; R599-G602 PolarHBondContact O-N 3.28Å; R599-V608 HydrophobicContact CG-CB 4.14Å; R599-V608 HydrophobicContact CG-CG1 4.32Å; R599-V608 HydrophobicContact CG-CG2 4.08Å
600	N	96.2	Very high	95.7	Very high	96 Å²	96	45.4 Å²	45.4	51%	0.513	23%	0.229	S	C	.	.	H	α-helix	trans	-76.9	-13.8	178.9	-66.4	-3.1	0	0	0	113.5	I597 H598 G602	I597-N600 WeakPolarHBondContact O-CA 3.41Å; I597-N600 WeakPolarHBondContact O-CB 3.35Å; I597-N600 PolarHBondContact O-N 3.42Å; H598-N600 VanDerWaalsContact C-N 3.32Å; N600-G602 VanDerWaalsContact C-N 3.34Å
601	L	94.7	Very high	95.5	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.047	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.6	170.6	-58.6	-176.9	0	0	0	112.7	I597 H598 R599 H604 L605 I659 R660 E664	I597-L601 PolarHBondContact O-N 2.95Å; H598-L601 PolarHBondContact O-N 2.92Å; R599-L601 VanDerWaalsContact C-N 3.31Å; R599-L601 PolarHBondContact O-N 2.83Å; L601-H604 PolarHBondContact O-CE1 3.14Å; L601-H604 VanDerWaalsContact O-CE1 3.27Å; L601-L605 HydrophobicContact CB-CB 4.09Å; L601-L605 HydrophobicContact CB-CD1 4.07Å; L601-I659 HydrophobicContact CD1-CG2 3.84Å; L601-I659 HydrophobicContact CG-CG2 4.44Å; L601-R660 HydrophobicContact CD2-CG 4.03Å; L601-E664 HydrophobicContact CD2-CB 4.42Å
602	G	91.4	Very high	95.1	Very high	26 Å²	26	49.5 Å²	49.5	27%	0.268	25%	0.25	S	C	.	.			trans	83.8	161.6	-175.9	0	0	0	0	0	114.7	R599 N600 H604 L605 S606	R599-G602 PolarHBondContact O-N 3.28Å; N600-G602 VanDerWaalsContact C-N 3.34Å; G602-H604 PolarHBondContact O-N 3.4Å; G602-H604 VanDerWaalsContact O-N 3.16Å; G602-L605 PolarHBondContact O-N 3.16Å; G602-L605 VanDerWaalsContact O-N 3.16Å; G602-S606 PolarHBondContact O-N 3.16Å
603	T	91.6	Very high	94.7	Very high	107 Å²	107	50.1 Å²	50.1	66%	0.656	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.3	-169.3	49.1	0	0	0	0	115.6	R607	T603-R607 VanDerWaalsContact O-CG 3.32Å; T603-R607 WeakPolarHBondContact O-CG 3.5Å; T603-R607 PolarHBondContact O-NE 2.8Å
604	H	86.5	Confident	94.4	Very high	144 Å²	144	50.3 Å²	50.3	67%	0.667	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-28.2	174.9	66.8	-77.3	0	0	0	112	L601 G602	L601-H604 PolarHBondContact O-CE1 3.14Å; L601-H604 VanDerWaalsContact O-CE1 3.27Å; G602-H604 PolarHBondContact O-N 3.4Å; G602-H604 VanDerWaalsContact O-N 3.16Å
605	L	93.2	Very high	93.9	Very high	38 Å²	38	57.3 Å²	57.3	20%	0.199	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-40.2	171.6	-66.8	174.9	0	0	0	112.2	N585 L601 G602 E664	N585-L605 PolarHBondContact ND2-O 2.96Å; L601-L605 HydrophobicContact CB-CB 4.09Å; L601-L605 HydrophobicContact CB-CD1 4.07Å; G602-L605 PolarHBondContact O-N 3.16Å; G602-L605 VanDerWaalsContact O-N 3.16Å; L605-E664 HydrophobicContact CD1-CB 4.01Å; L605-E664 HydrophobicContact CD1-CG 4.33Å
606	S	96.8	Very high	93.4	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.028	29%	0.294	C	S	.	.			trans	-147.9	120.2	-172.3	-174.6	0	0	0	0	114.5	S583 N585 H598 G602	S583-S606 WeakPolarHBondContact CB-OG 3.49Å; S583-S606 PolarHBondContact OG-OG 3.4Å; N585-S606 WeakPolarHBondContact OD1-CA 3.19Å; H598-S606 WeakPolarHBondContact ND1-CB 3.45Å; H598-S606 PolarHBondContact ND1-OG 2.84Å; G602-S606 PolarHBondContact O-N 3.16Å
607	R	96.3	Very high	93	Very high	67 Å²	67	59.3 Å²	59.3	25%	0.253	30%	0.303	S	S	.	.			trans	-101.4	86.7	-178.9	-61.6	179.4	-171.9	-143.7	3.6	110.5	S583 L584 N585 T603 W737	S583-R607 PolarHBondContact OG-N 2.85Å; L584-R607 HydrophobicContact CB-CB 4.2Å; L584-R607 HydrophobicContact CD1-CB 4.49Å; L584-R607 WeakPolarHBondContact CG-O 3.29Å; L584-R607 PolarHBondContact N-O 2.92Å; N585-R607 WeakPolarHBondContact OD1-CB 3.32Å; N585-R607 WeakPolarHBondContact OD1-CG 3.42Å; N585-R607 PolarHBondContact OD1-N 3.34Å; T603-R607 VanDerWaalsContact O-CG 3.32Å; T603-R607 WeakPolarHBondContact O-CG 3.5Å; T603-R607 PolarHBondContact O-NE 2.8Å; R607-W737 PolarHBondContact NH2-O 2.95Å
608	V	97.6	Very high	92.4	Very high	10 Å²	10	63 Å²	63	6%	0.061	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.7	-170.5	-177.9	0	0	0	0	113.6	W581 A582 H598 R599	W581-V608 HydrophobicContact CE3-CG1 3.92Å; A582-V608 CarbonylContact O-C 3.57Å; A582-V608 VanDerWaalsContact O-CA 3.28Å; A582-V608 WeakPolarHBondContact O-CA 3.41Å; H598-V608 HydrophobicContact CB-CG2 3.69Å; R599-V608 HydrophobicContact CG-CB 4.14Å; R599-V608 HydrophobicContact CG-CG1 4.32Å; R599-V608 HydrophobicContact CG-CG2 4.08Å
609	R	96.5	Very high	91.9	Very high	102 Å²	102	64.6 Å²	64.6	39%	0.385	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157.5	171.3	-72.3	-63.5	-178.1	-84.7	4.5	112.3	W581 A582 L584 D614 W616	W581-R609 CarbonylContact C-O 3.53Å; W581-R609 WeakPolarHBondContact CA-O 3.32Å; A582-R609 PolarHBondContact N-O 3.3Å; A582-R609 PolarHBondContact O-N 3.13Å; L584-R609 HydrophobicContact CD1-CG 3.81Å; L584-R609 HydrophobicContact CD2-CG 4.26Å; L584-R609 HydrophobicContact CG-CG 4.08Å; R609-D614 VanDerWaalsContact CA-OD2 3.29Å; R609-D614 WeakPolarHBondContact CA-OD2 3.43Å; R609-D614 WeakPolarHBondContact CD-OD2 3.45Å; R609-W616 HydrophobicContact CB-CH2 4.2Å; R609-W616 HydrophobicContact CB-CZ2 3.83Å
610	S	95.9	Very high	91.6	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.8	170.6	-176.3	0	0	0	0	111.2	D612 L613 D614 W616	S610-D612 VanDerWaalsContact C-N 3.26Å; S610-D612 PolarHBondContact O-N 3.32Å; S610-D612 PolarHBondContact OG-N 3.42Å; S610-L613 PolarHBondContact OG-N 3.33Å; S610-D614 PolarHBondContact N-OD2 3.04Å; S610-W616 PolarHBondContact O-NE1 3.29Å
611	L	92.6	Very high	91.5	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.1	171.9	-84.7	70.9	0	0	0	113.4	L559 I562 R563 N580 A582 L589 W616	L559-L611 HydrophobicContact CD2-CG 4.33Å; I562-L611 HydrophobicContact CG2-CD2 4.42Å; R563-L611 HydrophobicContact CG-CD2 3.83Å; N580-L611 PolarHBondContact O-N 3.27Å; A582-L611 HydrophobicContact CB-CD1 3.85Å; L589-L611 HydrophobicContact CD1-CD2 4.12Å; L589-L611 HydrophobicContact CD2-CD1 3.62Å; L589-L611 HydrophobicContact CD2-CD2 4.13Å; L611-W616 HydrophobicContact CD1-CZ2 3.99Å; L611-W616 HydrophobicContact CG-CZ2 4.31Å
612	D	88.8	Confident	91.4	Very high	93 Å²	93	58.2 Å²	58.2	50%	0.497	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-12.7	-173.5	-55.2	-48.9	0	0	0	114.1	R563 N580 S610	R563-D612 IonicContact CZ-OD1 3.95Å; R563-D612 IonicContact NH1-OD1 3.56Å; R563-D612 IonicContact NH2-OD1 3.41Å; R563-D612 PolarHBondContact NH2-OD1 3.36Å; R563-D612 IonicContact NH2-OD2 2.69Å; R563-D612 PolarHBondContact NH2-OD2 3.48Å; N580-D612 WeakPolarHBondContact CB-OD2 3.46Å; N580-D612 VanDerWaalsContact CG-OD2 3.29Å; N580-D612 PolarHBondContact ND2-OD2 2.84Å; S610-D612 VanDerWaalsContact C-N 3.26Å; S610-D612 PolarHBondContact O-N 3.32Å; S610-D612 PolarHBondContact OG-N 3.42Å
613	L	88.4	Confident	91.6	Very high	135 Å²	135	57 Å²	57	71%	0.707	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	-14.7	-170.4	-54.7	175.7	0	0	0	115.2	W581 S610	W581-L613 HydrophobicContact CH2-CD1 4.34Å; W581-L613 HydrophobicContact CZ2-CD1 4.33Å; S610-L613 PolarHBondContact OG-N 3.33Å
614	D	90.8	Very high	91.8	Very high	65 Å²	65	52 Å²	52	35%	0.348	26%	0.257	S	S	.	.	S	Bend	trans	-112.9	152.7	177.8	-65.4	-53.8	0	0	0	109.9	R609 S610 W616	R609-D614 VanDerWaalsContact CA-OD2 3.29Å; R609-D614 WeakPolarHBondContact CA-OD2 3.43Å; R609-D614 WeakPolarHBondContact CD-OD2 3.45Å; S610-D614 PolarHBondContact N-OD2 3.04Å; D614-W616 PolarHBondContact O-NE1 2.92Å
615	D	87.3	Confident	92.1	Very high	146 Å²	146	46.7 Å²	46.7	78%	0.781	24%	0.236	S	C	*	.			trans	-70.9	144.8	173.8	-62.1	-50	0	0	0	111.8	P617	D615-P617 WeakPolarHBondContact O-CD 3.27Å
616	W	88.3	Confident	92.2	Very high	6 Å²	6	47.2 Å²	47.2	2%	0.023	24%	0.243	C	C	.	.			trans	-119.9	89	-178.1	-76.1	85.7	0	0	0	114.2	E555 L559 A582 L584 R609 S610 L611 D614 L620 I621 M624	E555-W616 PolarHBondContact OE1-N 2.89Å; L559-W616 HydrophobicContact CD2-CB 4.26Å; L559-W616 HydrophobicContact CD2-CD2 3.88Å; L559-W616 HydrophobicContact CD2-CG 3.7Å; A582-W616 HydrophobicContact CB-CH2 3.86Å; A582-W616 HydrophobicContact CB-CZ2 4.29Å; L584-W616 HydrophobicContact CD2-CH2 3.63Å; L584-W616 HydrophobicContact CD2-CZ3 3.58Å; R609-W616 HydrophobicContact CB-CH2 4.2Å; R609-W616 HydrophobicContact CB-CZ2 3.83Å; S610-W616 PolarHBondContact O-NE1 3.29Å; L611-W616 HydrophobicContact CD1-CZ2 3.99Å; L611-W616 HydrophobicContact CG-CZ2 4.31Å; D614-W616 PolarHBondContact O-NE1 2.92Å; W616-L620 HydrophobicContact CE3-CB 3.85Å; W616-L620 HydrophobicContact CZ3-CB 4.01Å; W616-I621 HydrophobicContact CB-CD1 3.93Å; W616-I621 HydrophobicContact CB-CG1 3.88Å; W616-I621 HydrophobicContact CE3-CG1 4.24Å; W616-I621 WeakPolarHBondContact O-CD1 3.39Å; W616-M624 HydrophobicContact CH2-CG 4.03Å; W616-M624 HydrophobicContact CZ3-CG 3.62Å
617	P	88.4	Confident	92.2	Very high	60 Å²	60	47.3 Å²	47.3	39%	0.39	24%	0.243	S	C	.	.			trans	-54.1	147.6	166.2	-24.8	33.7	0	0	0	112.9	D615 E619 L620 I621	D615-P617 WeakPolarHBondContact O-CD 3.27Å; P617-E619 WeakPolarHBondContact CB-OE2 3.4Å; P617-E619 PolarHBondContact O-N 2.79Å; P617-E619 VanDerWaalsContact O-N 3.11Å; P617-L620 HydrophobicContact CB-CG 4.44Å; P617-L620 HydrophobicContact CG-CD1 4.49Å; P617-L620 PolarHBondContact O-N 2.81Å; P617-L620 VanDerWaalsContact O-N 3.08Å; P617-I621 PolarHBondContact O-N 3.42Å; P617-I621 VanDerWaalsContact O-N 3.1Å
618	M	85.1	Confident	92.2	Very high	77 Å²	77	44.1 Å²	44.1	38%	0.379	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-24.1	-172.3	-67.2	-67.4	126.9	0	0	112.9	E555 I621 K622	E555-M618 HydrophobicContact CB-CE 4.39Å; M618-I621 HydrophobicContact CE-CD1 3.66Å; M618-I621 PolarHBondContact O-N 3.23Å; M618-I621 HydrophobicContact SD-CD1 4.19Å; M618-K622 WeakPolarHBondContact O-CB 3.24Å; M618-K622 VanDerWaalsContact O-CG 3.27Å; M618-K622 WeakPolarHBondContact O-CG 3.42Å; M618-K622 PolarHBondContact O-N 2.8Å
619	E	86.4	Confident	92.2	Very high	35 Å²	35	43.8 Å²	43.8	16%	0.164	23%	0.229	C	C	.	.	H	α-helix	trans	-68.5	-46.1	178.3	-55.4	61.8	-128.4	0	0	109.6	P617 K622 V623 V767	P617-E619 WeakPolarHBondContact CB-OE2 3.4Å; P617-E619 PolarHBondContact O-N 2.79Å; P617-E619 VanDerWaalsContact O-N 3.11Å; E619-K622 PolarHBondContact O-N 2.81Å; E619-V623 WeakPolarHBondContact O-CG2 3.42Å; E619-V623 PolarHBondContact O-N 3.29Å; E619-V767 HydrophobicContact CB-CG2 4.03Å; E619-V767 HydrophobicContact CG-CG2 3.56Å
620	L	91.7	Very high	92.2	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.12	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-41.4	175	-54.1	-168	0	0	0	110.9	L584 W616 P617 K622 V623 M624 W737	L584-L620 HydrophobicContact CD1-CD1 3.98Å; L584-L620 HydrophobicContact CD1-CD2 4.24Å; L584-L620 HydrophobicContact CD2-CB 4.26Å; L584-L620 HydrophobicContact CD2-CD1 4.12Å; W616-L620 HydrophobicContact CE3-CB 3.85Å; W616-L620 HydrophobicContact CZ3-CB 4.01Å; P617-L620 HydrophobicContact CB-CG 4.44Å; P617-L620 HydrophobicContact CG-CD1 4.49Å; P617-L620 PolarHBondContact O-N 2.81Å; P617-L620 VanDerWaalsContact O-N 3.08Å; L620-K622 VanDerWaalsContact C-N 3.35Å; L620-K622 PolarHBondContact O-N 3.3Å; L620-V623 PolarHBondContact O-N 3.35Å; L620-M624 WeakPolarHBondContact O-CG 3.42Å; L620-M624 PolarHBondContact O-N 2.81Å; L620-W737 HydrophobicContact CD2-CH2 3.74Å; L620-W737 HydrophobicContact CD2-CZ2 3.53Å
621	I	92.7	Very high	92.3	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.046	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-45.1	177	-65.5	176.2	0	0	0	110.7	E555 A558 I562 W616 P617 M618 V623 M624 S625	E555-I621 HydrophobicContact CG-CD1 4.29Å; A558-I621 HydrophobicContact CB-CD1 4.3Å; A558-I621 HydrophobicContact CB-CG2 3.64Å; I562-I621 HydrophobicContact CD1-CB 4.33Å; I562-I621 HydrophobicContact CD1-CG1 4.36Å; I562-I621 HydrophobicContact CD1-CG2 3.99Å; W616-I621 HydrophobicContact CB-CD1 3.93Å; W616-I621 HydrophobicContact CB-CG1 3.88Å; W616-I621 HydrophobicContact CE3-CG1 4.24Å; W616-I621 WeakPolarHBondContact O-CD1 3.39Å; P617-I621 PolarHBondContact O-N 3.42Å; P617-I621 VanDerWaalsContact O-N 3.1Å; M618-I621 HydrophobicContact CE-CD1 3.66Å; M618-I621 PolarHBondContact O-N 3.23Å; M618-I621 HydrophobicContact SD-CD1 4.19Å; I621-V623 PolarHBondContact O-N 3.12Å; I621-M624 PolarHBondContact O-N 3.07Å; I621-S625 VanDerWaalsContact O-CB 3.22Å; I621-S625 WeakPolarHBondContact O-CB 3.47Å; I621-S625 PolarHBondContact O-N 3.33Å; I621-S625 PolarHBondContact O-OG 2.74Å
622	K	92.6	Very high	92.5	Very high	69 Å²	69	45.3 Å²	45.3	30%	0.3	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-43.7	176.4	-78.3	174.1	-179.4	-177.7	0	112.6	M618 E619 L620 S625 S626 V729 V730 E763	M618-K622 WeakPolarHBondContact O-CB 3.24Å; M618-K622 VanDerWaalsContact O-CG 3.27Å; M618-K622 WeakPolarHBondContact O-CG 3.42Å; M618-K622 PolarHBondContact O-N 2.8Å; E619-K622 PolarHBondContact O-N 2.81Å; L620-K622 VanDerWaalsContact C-N 3.35Å; L620-K622 PolarHBondContact O-N 3.3Å; K622-S625 PolarHBondContact O-N 2.89Å; K622-S626 WeakPolarHBondContact O-CB 3.46Å; K622-S626 PolarHBondContact O-N 3.45Å; K622-S626 VanDerWaalsContact O-N 3.15Å; K622-S626 PolarHBondContact O-OG 2.93Å; K622-V729 HydrophobicContact CD-CG1 3.59Å; K622-V730 HydrophobicContact CB-CG2 4.01Å; K622-E763 VanDerWaalsContact NZ-CD 3.26Å; K622-E763 IonicContact NZ-OE1 3.29Å; K622-E763 PolarHBondContact NZ-OE1 3.39Å
623	V	95	Very high	92.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-51.4	176.7	178.2	0	0	0	0	110.9	E619 L620 I621 S625 S626 I627 V730 Q733 L734 W737	E619-V623 WeakPolarHBondContact O-CG2 3.42Å; E619-V623 PolarHBondContact O-N 3.29Å; L620-V623 PolarHBondContact O-N 3.35Å; I621-V623 PolarHBondContact O-N 3.12Å; V623-S625 PolarHBondContact O-N 3.13Å; V623-S626 PolarHBondContact O-N 2.95Å; V623-I627 HydrophobicContact CG1-CD1 3.82Å; V623-I627 PolarHBondContact O-N 3.18Å; V623-V730 HydrophobicContact CG2-CB 4.47Å; V623-V730 HydrophobicContact CG2-CG1 4.21Å; V623-V730 HydrophobicContact CG2-CG2 4.41Å; V623-Q733 HydrophobicContact CG2-CB 4.1Å; V623-Q733 HydrophobicContact CG2-CG 4.1Å; V623-L734 HydrophobicContact CG1-CD2 4.17Å; V623-L734 HydrophobicContact CG1-CG 4.5Å; V623-W737 HydrophobicContact CG1-CZ3 4.07Å; V623-W737 HydrophobicContact CG2-CH2 4.37Å; V623-W737 HydrophobicContact CG2-CZ3 4.39Å
624	M	96.3	Very high	93.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-28.2	179.9	-66.4	-56	-55.5	0	0	113.5	I562 A582 L584 G587 L589 W616 L620 I621 S626	I562-M624 HydrophobicContact CD1-CB 3.67Å; I562-M624 HydrophobicContact CG1-CB 3.85Å; I562-M624 HydrophobicContact CG2-CB 3.92Å; I562-M624 HydrophobicContact CG2-CE 4.43Å; A582-M624 HydrophobicContact CB-CE 3.73Å; A582-M624 HydrophobicContact CB-SD 4.23Å; L584-M624 HydrophobicContact CD2-CG 4.44Å; L584-M624 HydrophobicContact CD2-SD 4.41Å; G587-M624 VanDerWaalsContact C-CE 3.45Å; L589-M624 HydrophobicContact CD2-CE 3.61Å; L589-M624 HydrophobicContact CG-CE 4.43Å; W616-M624 HydrophobicContact CH2-CG 4.03Å; W616-M624 HydrophobicContact CZ3-CG 3.62Å; L620-M624 WeakPolarHBondContact O-CG 3.42Å; L620-M624 PolarHBondContact O-N 2.81Å; I621-M624 PolarHBondContact O-N 3.07Å; M624-S626 VanDerWaalsContact C-N 3.33Å
625	S	94.4	Very high	93.5	Very high	34 Å²	34	34.4 Å²	34.4	24%	0.238	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-4.8	176.1	-52.7	0	0	0	0	113.6	I562 M565 I621 K622 V623	I562-S625 VanDerWaalsContact CG1-OG 3.3Å; I562-S625 WeakPolarHBondContact CG1-OG 3.36Å; M565-S625 WeakPolarHBondContact CE-O 3.44Å; M565-S625 VanDerWaalsContact SD-O 3.39Å; I621-S625 VanDerWaalsContact O-CB 3.22Å; I621-S625 WeakPolarHBondContact O-CB 3.47Å; I621-S625 PolarHBondContact O-N 3.33Å; I621-S625 PolarHBondContact O-OG 2.74Å; K622-S625 PolarHBondContact O-N 2.89Å; V623-S625 PolarHBondContact O-N 3.13Å
626	S	95.1	Very high	93.9	Very high	48 Å²	48	27.9 Å²	27.9	34%	0.336	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-18.3	179.3	-57.3	0	0	0	0	113.2	K622 V623 M624 L692	K622-S626 WeakPolarHBondContact O-CB 3.46Å; K622-S626 PolarHBondContact O-N 3.45Å; K622-S626 VanDerWaalsContact O-N 3.15Å; K622-S626 PolarHBondContact O-OG 2.93Å; V623-S626 PolarHBondContact O-N 2.95Å; M624-S626 VanDerWaalsContact C-N 3.33Å; S626-L692 VanDerWaalsContact O-CD2 3.27Å; S626-L692 WeakPolarHBondContact O-CD2 3.39Å
627	I	96.3	Very high	94.2	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	16%	0.158	C	C	.	.			trans	-107.2	-89.5	-175.2	-54.6	171.7	0	0	0	110.7	V623 L631 A632 L692 I696 L734	V623-I627 HydrophobicContact CG1-CD1 3.82Å; V623-I627 PolarHBondContact O-N 3.18Å; I627-L631 HydrophobicContact CG2-CB 4.3Å; I627-L631 HydrophobicContact CG2-CD2 4.41Å; I627-L631 HydrophobicContact CG2-CG 4.37Å; I627-A632 HydrophobicContact CG2-CB 4.23Å; I627-L692 HydrophobicContact CG1-CD2 4.09Å; I627-I696 HydrophobicContact CD1-CD1 3.65Å; I627-I696 HydrophobicContact CG1-CD1 3.79Å; I627-I696 HydrophobicContact CG2-CD1 4.13Å; I627-L734 HydrophobicContact CD1-CD1 4.28Å; I627-L734 HydrophobicContact CD1-CD2 4.28Å
628	G	96.5	Very high	94.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	74.6	164.4	-173.9	0	0	0	0	0	114.2	N568 G587 E630 L631 A632	N568-G628 VanDerWaalsContact OD1-CA 3.28Å; N568-G628 WeakPolarHBondContact OD1-CA 3.4Å; G587-G628 WeakPolarHBondContact O-CA 3.44Å; G587-G628 PolarHBondContact O-N 3.39Å; G628-E630 VanDerWaalsContact C-N 3.35Å; G628-E630 PolarHBondContact O-N 3.46Å; G628-L631 PolarHBondContact O-N 3.42Å; G628-A632 WeakPolarHBondContact O-CB 3.16Å; G628-A632 PolarHBondContact O-N 2.88Å
629	N	97.8	Very high	94.2	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-29.9	-166.6	-67.9	-6.6	0	0	0	113.6	R566 N568 H570 V572 A588 L589 N633	R566-N629 PolarHBondContact O-N 2.79Å; N568-N629 WeakPolarHBondContact OD1-CB 3.28Å; N568-N629 PolarHBondContact OD1-N 3.23Å; N568-N629 PolarHBondContact OD1-OD1 3.1Å; H570-N629 PolarHBondContact O-ND2 3.41Å; V572-N629 HydrophobicContact CB-CB 4.31Å; V572-N629 HydrophobicContact CG2-CB 4.23Å; V572-N629 PolarHBondContact N-ND2 2.93Å; A588-N629 VanDerWaalsContact CA-OD1 3.23Å; A588-N629 WeakPolarHBondContact CA-OD1 3.3Å; A588-N629 WeakPolarHBondContact CB-OD1 3.49Å; L589-N629 PolarHBondContact N-OD1 3.43Å; L589-N629 PolarHBondContact O-ND2 3.11Å; N629-N633 VanDerWaalsContact O-CB 3.31Å; N629-N633 WeakPolarHBondContact O-CB 3.46Å; N629-N633 PolarHBondContact O-N 2.92Å
630	E	96.3	Very high	93.8	Very high	100 Å²	100	29.8 Å²	29.8	47%	0.467	17%	0.167	S	C	.	.	H	α-helix	trans	-62.7	-49.1	173.5	-175.9	174.9	113.5	0	0	111.1	R566 G628 S634	R566-E630 HydrophobicContact CB-CB 3.66Å; R566-E630 HydrophobicContact CB-CG 4.29Å; R566-E630 WeakPolarHBondContact CB-OE2 3.3Å; R566-E630 VanDerWaalsContact CD-CD 3.4Å; R566-E630 WeakPolarHBondContact CD-OE1 3.21Å; R566-E630 WeakPolarHBondContact CD-OE2 3.33Å; R566-E630 IonicContact CZ-OE1 2.79Å; R566-E630 IonicContact NE-OE1 2.67Å; R566-E630 IonicContact NH1-OE1 3.8Å; R566-E630 PolarHBondContact NH1-OE1 3.18Å; R566-E630 PolarHBondContact O-N 2.92Å; G628-E630 VanDerWaalsContact C-N 3.35Å; G628-E630 PolarHBondContact O-N 3.46Å; E630-S634 WeakPolarHBondContact O-CB 3.42Å; E630-S634 PolarHBondContact O-N 3.48Å
631	L	97.3	Very high	93.2	Very high	41 Å²	41	34.8 Å²	34.8	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-69.2	-43.1	178.1	-177.6	55.6	0	0	0	111.3	I627 G628 S634 V635 L692 R693	I627-L631 HydrophobicContact CG2-CB 4.3Å; I627-L631 HydrophobicContact CG2-CD2 4.41Å; I627-L631 HydrophobicContact CG2-CG 4.37Å; G628-L631 PolarHBondContact O-N 3.42Å; L631-S634 WeakPolarHBondContact O-CB 3.44Å; L631-S634 PolarHBondContact O-N 2.91Å; L631-S634 PolarHBondContact O-OG 3.09Å; L631-V635 PolarHBondContact O-N 3.43Å; L631-L692 HydrophobicContact CD2-CD2 4.24Å; L631-L692 HydrophobicContact CD2-CG 4.37Å; L631-R693 HydrophobicContact CD1-CB 3.83Å; L631-R693 HydrophobicContact CD1-CG 3.76Å
632	A	97.3	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-48.5	178.7	0	0	0	0	0	112	A588 I627 G628 S634 V635 W636	A588-A632 HydrophobicContact CB-CB 3.96Å; I627-A632 HydrophobicContact CG2-CB 4.23Å; G628-A632 WeakPolarHBondContact O-CB 3.16Å; G628-A632 PolarHBondContact O-N 2.88Å; A632-S634 VanDerWaalsContact C-N 3.32Å; A632-S634 PolarHBondContact O-N 3.1Å; A632-V635 PolarHBondContact O-N 3.31Å; A632-V635 VanDerWaalsContact O-N 3.08Å; A632-W636 VanDerWaalsContact O-CD1 3.3Å; A632-W636 PolarHBondContact O-N 3.29Å
633	N	96.6	Very high	92.2	Very high	27 Å²	27	39.9 Å²	39.9	14%	0.144	23%	0.23	C	C	.	.	H	α-helix	trans	-73.8	-22.5	177.6	-73.2	-16.7	0	0	0	112.9	V572 N629 V635 E637 E638 K645 K662	V572-N633 WeakPolarHBondContact CG2-OD1 3.42Å; V572-N633 PolarHBondContact O-ND2 3.4Å; V572-N633 PolarHBondContact O-OD1 3.2Å; N629-N633 VanDerWaalsContact O-CB 3.31Å; N629-N633 WeakPolarHBondContact O-CB 3.46Å; N629-N633 PolarHBondContact O-N 2.92Å; N633-V635 PolarHBondContact O-N 3.5Å; N633-E637 HydrophobicContact CB-CB 4.08Å; N633-E637 HydrophobicContact CB-CG 4.04Å; N633-E637 VanDerWaalsContact CG-CD 3.49Å; N633-E637 VanDerWaalsContact CG-OE2 3.24Å; N633-E637 PolarHBondContact ND2-OE2 2.93Å; N633-E637 VanDerWaalsContact ND2-OE2 3.08Å; N633-E637 CarbonylContact O-C 3.28Å; N633-E637 WeakPolarHBondContact O-CA 3.42Å; N633-E637 PolarHBondContact O-N 2.89Å; N633-E637 WeakPolarHBondContact OD1-CG 3.45Å; N633-E638 PolarHBondContact O-N 2.94Å; N633-K645 PolarHBondContact ND2-NZ 2.79Å; N633-K662 PolarHBondContact OD1-NZ 3.25Å
634	S	96	Very high	91.9	Very high	37 Å²	37	46 Å²	46	26%	0.259	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-18.7	167	87.9	0	0	0	0	113.1	E630 L631 A632 R693	E630-S634 WeakPolarHBondContact O-CB 3.42Å; E630-S634 PolarHBondContact O-N 3.48Å; L631-S634 WeakPolarHBondContact O-CB 3.44Å; L631-S634 PolarHBondContact O-N 2.91Å; L631-S634 PolarHBondContact O-OG 3.09Å; A632-S634 VanDerWaalsContact C-N 3.32Å; A632-S634 PolarHBondContact O-N 3.1Å; S634-R693 PolarHBondContact O-NH2 3.26Å; S634-R693 PolarHBondContact OG-NE 3.17Å; S634-R693 VanDerWaalsContact OG-NE 3.11Å
635	V	96.5	Very high	91.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-101.7	-48.8	173	172.1	0	0	0	0	110.5	L631 A632 N633 L669 A670 R693 I696 L697 A700	L631-V635 PolarHBondContact O-N 3.43Å; A632-V635 PolarHBondContact O-N 3.31Å; A632-V635 VanDerWaalsContact O-N 3.08Å; N633-V635 PolarHBondContact O-N 3.5Å; V635-L669 HydrophobicContact CG1-CD1 3.52Å; V635-L669 WeakPolarHBondContact O-CA 3.35Å; V635-A670 PolarHBondContact O-N 2.61Å; V635-R693 HydrophobicContact CG2-CG 3.99Å; V635-I696 HydrophobicContact CG1-CG2 4.28Å; V635-I696 HydrophobicContact CG2-CG2 4.32Å; V635-L697 HydrophobicContact CG1-CB 4.35Å; V635-L697 HydrophobicContact CG1-CD1 4.13Å; V635-L697 HydrophobicContact CG2-CB 4.44Å; V635-A700 HydrophobicContact CG1-CB 4.44Å
636	W	96.1	Very high	91.8	Very high	9 Å²	9	47.3 Å²	47.3	3%	0.034	27%	0.269	C	S	.	.	H	α-helix	trans	-92.6	-3.3	-169.9	-66.8	97.7	0	0	0	115.6	L586 A632 K662 Y663 K666 F668 L669 A700	L586-W636 HydrophobicContact CD2-CZ2 3.77Å; A632-W636 VanDerWaalsContact O-CD1 3.3Å; A632-W636 PolarHBondContact O-N 3.29Å; W636-K662 HydrophobicContact CB-CG 4.31Å; W636-K662 WeakPolarHBondContact O-CG 3.37Å; W636-Y663 HydrophobicContact CB-CE1 4.06Å; W636-Y663 AromaticContact CD2-CD1 3.7Å; W636-Y663 HydrophobicContact CD2-CD1 3.7Å; W636-Y663 AromaticContact CD2-CE1 3.66Å; W636-Y663 HydrophobicContact CD2-CE1 3.66Å; W636-Y663 AromaticContact CE3-CD1 3.5Å; W636-Y663 HydrophobicContact CE3-CD1 3.5Å; W636-Y663 AromaticContact CE3-CE1 3.93Å; W636-Y663 HydrophobicContact CE3-CE1 3.93Å; W636-Y663 HydrophobicContact CE3-CG 4.48Å; W636-Y663 HydrophobicContact CG-CD1 4.27Å; W636-Y663 AromaticContact CG-CE1 3.74Å; W636-Y663 HydrophobicContact CG-CE1 3.74Å; W636-Y663 HydrophobicContact CH2-CD1 4.24Å; W636-Y663 HydrophobicContact CZ2-CD1 4.4Å; W636-Y663 AromaticContact CZ3-CD1 3.8Å; W636-Y663 HydrophobicContact CZ3-CD1 3.8Å; W636-K666 HydrophobicContact CZ3-CG 4.4Å; W636-F668 WeakPolarHBondContact O-CB 3.42Å; W636-L669 HydrophobicContact CD2-CD1 4.2Å; W636-L669 HydrophobicContact CE3-CD1 4.08Å; W636-L669 HydrophobicContact CZ3-CD1 4.37Å; W636-A700 HydrophobicContact CH2-CB 3.73Å; W636-A700 HydrophobicContact CZ2-CB 3.45Å; W636-A700 VanDerWaalsContact CZ2-CB 3.45Å; W636-A700 HydrophobicContact CZ3-CB 4.49Å
637	E	94.7	Very high	91.5	Very high	34 Å²	34	47.8 Å²	47.8	16%	0.159	27%	0.273	C	S	.	.	S	Bend	trans	-132.1	11.5	174.8	-57.9	-169.2	153.6	0	0	113.4	N633 G639 K645 W658 K662	N633-E637 HydrophobicContact CB-CB 4.08Å; N633-E637 HydrophobicContact CB-CG 4.04Å; N633-E637 VanDerWaalsContact CG-CD 3.49Å; N633-E637 VanDerWaalsContact CG-OE2 3.24Å; N633-E637 PolarHBondContact ND2-OE2 2.93Å; N633-E637 VanDerWaalsContact ND2-OE2 3.08Å; N633-E637 CarbonylContact O-C 3.28Å; N633-E637 WeakPolarHBondContact O-CA 3.42Å; N633-E637 PolarHBondContact O-N 2.89Å; N633-E637 WeakPolarHBondContact OD1-CG 3.45Å; E637-G639 VanDerWaalsContact C-N 3.3Å; E637-G639 PolarHBondContact O-N 3.24Å; E637-K645 WeakPolarHBondContact OE1-CE 3.13Å; E637-K645 IonicContact OE1-NZ 3.84Å; E637-K645 WeakPolarHBondContact OE2-CE 3.37Å; E637-K645 IonicContact OE2-NZ 2.75Å; E637-K645 PolarHBondContact OE2-NZ 3.41Å; E637-W658 HydrophobicContact CG-CZ2 4.38Å; E637-W658 PolarHBondContact OE1-NE1 3.34Å; E637-K662 VanDerWaalsContact CD-NZ 3.32Å; E637-K662 HydrophobicContact CG-CD 4.06Å; E637-K662 VanDerWaalsContact CG-CE 3.42Å; E637-K662 VanDerWaalsContact OE1-CE 3.32Å; E637-K662 WeakPolarHBondContact OE1-CE 3.45Å; E637-K662 IonicContact OE1-NZ 3.83Å; E637-K662 PolarHBondContact OE1-NZ 3.05Å
638	E	89.4	Confident	91.1	Very high	108 Å²	108	52 Å²	52	51%	0.505	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-36	-177.8	-167.8	177.3	152	0	0	112.3	N633 F668 A670 R693	N633-E638 PolarHBondContact O-N 2.94Å; E638-F668 PolarHBondContact N-O 2.99Å; E638-A670 HydrophobicContact CB-CB 3.79Å; E638-A670 HydrophobicContact CG-CB 4.3Å; E638-A670 WeakPolarHBondContact OE2-CB 3.39Å; E638-R693 IonicContact OE2-CZ 2.74Å; E638-R693 IonicContact OE2-NH2 3.91Å; E638-R693 PolarHBondContact OE2-NH2 2.76Å
639	G	83.1	Confident	90.7	Very high	28 Å²	28	59.1 Å²	59.1	29%	0.289	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	58.1	-175.5	0	0	0	0	0	114.5	E637 Q641 F668	E637-G639 VanDerWaalsContact C-N 3.3Å; E637-G639 PolarHBondContact O-N 3.24Å; G639-Q641 VanDerWaalsContact O-CG 3.3Å; G639-Q641 WeakPolarHBondContact O-CG 3.18Å; G639-Q641 PolarHBondContact O-N 2.87Å; G639-F668 PolarHBondContact N-O 2.79Å; G639-F668 WeakPolarHBondContact O-CA 3.32Å
640	S	78.1	Confident	90.5	Very high	48 Å²	48	60.1 Å²	60.1	34%	0.336	34%	0.34	S	S	.	.			trans	-57.5	-5.8	-172.6	70.5	0	0	0	0	117.6	G642 R643	S640-G642 PolarHBondContact O-N 3.45Å; S640-G642 VanDerWaalsContact O-N 3.11Å; S640-R643 WeakPolarHBondContact O-CB 3.32Å; S640-R643 PolarHBondContact O-N 2.97Å
641	Q	79.4	Confident	90.5	Very high	128 Å²	128	58.6 Å²	58.6	60%	0.598	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	31.2	-179.4	-51.4	-168.8	1.9	0	0	114.1	G639 R643 L667	G639-Q641 VanDerWaalsContact O-CG 3.3Å; G639-Q641 WeakPolarHBondContact O-CG 3.18Å; G639-Q641 PolarHBondContact O-N 2.87Å; Q641-R643 PolarHBondContact O-N 3.45Å; Q641-L667 PolarHBondContact NE2-O 3.27Å
642	G	78.3	Confident	90.4	Very high	75 Å²	75	61.4 Å²	61.4	77%	0.773	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	6.8	-177	0	0	0	0	0	114.7	S640	S640-G642 PolarHBondContact O-N 3.45Å; S640-G642 VanDerWaalsContact O-N 3.11Å
643	R	87.1	Confident	90.4	Very high	110 Å²	110	66.9 Å²	66.9	42%	0.415	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-79.1	136.4	172.4	-56.2	-164.9	-170.3	-174.2	2.1	110.1	S640 Q641 W658 F668	S640-R643 WeakPolarHBondContact O-CB 3.32Å; S640-R643 PolarHBondContact O-N 2.97Å; Q641-R643 PolarHBondContact O-N 3.45Å; R643-W658 HydrophobicContact CB-CZ3 3.81Å; R643-F668 HydrophobicContact CB-CE1 4.26Å; R643-F668 HydrophobicContact CB-CZ 4.34Å; R643-F668 HydrophobicContact CG-CE1 4.25Å
644	T	87.4	Confident	90.3	Very high	128 Å²	128	69.5 Å²	69.5	79%	0.785	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-80.9	131.6	174.6	50	0	0	0	0	110.9	W658	T644-W658 VanDerWaalsContact C-CZ3 3.48Å; T644-W658 WeakPolarHBondContact O-CZ3 3.41Å
645	K	93.6	Very high	90.4	Very high	52 Å²	52	68 Å²	68	23%	0.226	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-60.8	138.2	170.4	-167.6	172.6	-174.4	176.2	0	110.5	V572 D573 D575 N633 E637 W658	V572-K645 WeakPolarHBondContact O-CE 3.35Å; V572-K645 PolarHBondContact O-NZ 3.4Å; D573-K645 VanDerWaalsContact O-CE 3.24Å; D573-K645 WeakPolarHBondContact O-CE 3.45Å; D573-K645 WeakPolarHBondContact O-CG 3.4Å; D575-K645 WeakPolarHBondContact OD1-CE 3.46Å; D575-K645 IonicContact OD1-NZ 3.68Å; D575-K645 PolarHBondContact OD1-NZ 3.09Å; D575-K645 IonicContact OD2-NZ 3.49Å; N633-K645 PolarHBondContact ND2-NZ 2.79Å; E637-K645 WeakPolarHBondContact OE1-CE 3.13Å; E637-K645 IonicContact OE1-NZ 3.84Å; E637-K645 WeakPolarHBondContact OE2-CE 3.37Å; E637-K645 IonicContact OE2-NZ 2.75Å; E637-K645 PolarHBondContact OE2-NZ 3.41Å; K645-W658 HydrophobicContact CB-CH2 3.97Å; K645-W658 HydrophobicContact CB-CZ2 3.84Å; K645-W658 HydrophobicContact CB-CZ3 4.44Å; K645-W658 HydrophobicContact CD-CZ2 4.41Å; K645-W658 HydrophobicContact CG-CH2 4.48Å; K645-W658 HydrophobicContact CG-CZ2 3.84Å
646	P	94.8	Very high	90.4	Very high	10 Å²	10	70.1 Å²	70.1	7%	0.065	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-66.1	147.8	178.4	27.7	-35.4	0	0	0	111.1	D573 C574 S650 K655 W658	D573-P646 WeakPolarHBondContact O-CD 3.28Å; D573-P646 WeakPolarHBondContact O-CG 3.44Å; C574-P646 VanDerWaalsContact CA-O 3.28Å; C574-P646 WeakPolarHBondContact CA-O 3.42Å; C574-P646 HydrophobicContact CB-CB 4.47Å; C574-P646 HydrophobicContact CB-CG 4.01Å; P646-S650 WeakPolarHBondContact CA-OG 3.36Å; P646-K655 HydrophobicContact CB-CG 3.9Å; P646-K655 HydrophobicContact CG-CG 4.11Å; P646-W658 VanDerWaalsContact CD-CD2 3.5Å; P646-W658 HydrophobicContact CG-CB 3.85Å; P646-W658 HydrophobicContact CG-CG 3.91Å
647	S	89.6	Confident	90.4	Very high	59 Å²	59	76.7 Å²	76.7	41%	0.413	41%	0.406	S	S	.	.			trans	-90.9	-179.4	177.1	72.6	0	0	0	0	112	D649 S650 K655	S647-D649 VanDerWaalsContact C-N 3.26Å; S647-D649 PolarHBondContact O-N 3.39Å; S647-D649 PolarHBondContact OG-N 2.88Å; S647-S650 PolarHBondContact N-OG 2.93Å; S647-S650 PolarHBondContact O-N 3.42Å; S647-S650 PolarHBondContact OG-N 3.12Å; S647-S650 PolarHBondContact OG-OG 3.34Å; S647-K655 VanDerWaalsContact O-CE 3.27Å; S647-K655 WeakPolarHBondContact O-CE 3.46Å
648	L	87.1	Confident	90.5	Very high	94 Å²	94	75.9 Å²	75.9	49%	0.492	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-51.7	164.7	-76.7	150.7	0	0	0	111.9	T576 K655	T576-L648 HydrophobicContact CG2-CD2 3.88Å; L648-K655 PolarHBondContact O-NZ 3.17Å
649	D	88.5	Confident	90.9	Very high	150 Å²	150	70.7 Å²	70.7	80%	0.802	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.9	-171.7	-49.5	-67.3	0	0	0	114	S647	S647-D649 VanDerWaalsContact C-N 3.26Å; S647-D649 PolarHBondContact O-N 3.39Å; S647-D649 PolarHBondContact OG-N 2.88Å
650	S	94.5	Very high	91.6	Very high	24 Å²	24	72.3 Å²	72.3	17%	0.168	38%	0.375	C	S	.	.	S	Bend	trans	-58.6	145.8	174.9	-71.7	0	0	0	0	111.7	P646 S647 K655	P646-S650 WeakPolarHBondContact CA-OG 3.36Å; S647-S650 PolarHBondContact N-OG 2.93Å; S647-S650 PolarHBondContact O-N 3.42Å; S647-S650 PolarHBondContact OG-N 3.12Å; S647-S650 PolarHBondContact OG-OG 3.34Å; S650-K655 WeakPolarHBondContact O-CE 3.24Å; S650-K655 PolarHBondContact O-NZ 3.26Å
651	T	96.2	Very high	92.4	Very high	68 Å²	68	70 Å²	70	42%	0.417	36%	0.359	S	S	.	.			trans	-63.6	157.6	177.6	61	0	0	0	0	111.8	E653 E654 K655	T651-E653 PolarHBondContact O-N 3.04Å; T651-E654 WeakPolarHBondContact CB-OE2 3.37Å; T651-E654 PolarHBondContact N-OE2 3.48Å; T651-E654 PolarHBondContact O-N 3.27Å; T651-E654 VanDerWaalsContact O-N 3.17Å; T651-E654 WeakPolarHBondContact OG1-CG 3.22Å; T651-E654 PolarHBondContact OG1-N 3.4Å; T651-E654 PolarHBondContact OG1-OE2 2.92Å; T651-K655 PolarHBondContact O-N 3.4Å
652	R	95.4	Very high	93.2	Very high	100 Å²	100	63.9 Å²	63.9	38%	0.377	33%	0.33	S	S	.	.	H	α-helix	trans	-57.5	-36.8	175.6	-175.6	-171.2	171.3	106.6	6.2	111.1	E593 I597 K655 E656	E593-R652 WeakPolarHBondContact OE1-CA 3.31Å; E593-R652 WeakPolarHBondContact OE1-CB 3.37Å; I597-R652 HydrophobicContact CD1-CG 4.39Å; R652-K655 PolarHBondContact O-N 2.69Å; R652-E656 WeakPolarHBondContact O-CB 3.41Å; R652-E656 PolarHBondContact O-N 3.15Å
653	E	95.6	Very high	94.1	Very high	115 Å²	115	60.4 Å²	60.4	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-70.4	-32.1	-178.3	-64.6	64.2	-142.2	0	0	111.9	T651 R657	T651-E653 PolarHBondContact O-N 3.04Å; E653-R657 VanDerWaalsContact O-CB 3.32Å; E653-R657 WeakPolarHBondContact O-CB 3.37Å; E653-R657 PolarHBondContact O-N 3.26Å; E653-R657 VanDerWaalsContact O-N 3.09Å
654	E	96	Very high	94.5	Very high	83 Å²	83	59.3 Å²	59.3	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-73.1	-43.7	170.4	-72	163.1	134.3	0	0	111.7	T651 E656 R657 W658	T651-E654 WeakPolarHBondContact CB-OE2 3.37Å; T651-E654 PolarHBondContact N-OE2 3.48Å; T651-E654 PolarHBondContact O-N 3.27Å; T651-E654 VanDerWaalsContact O-N 3.17Å; T651-E654 WeakPolarHBondContact OG1-CG 3.22Å; T651-E654 PolarHBondContact OG1-N 3.4Å; T651-E654 PolarHBondContact OG1-OE2 2.92Å; E654-E656 VanDerWaalsContact C-N 3.33Å; E654-E656 PolarHBondContact O-N 2.76Å; E654-R657 PolarHBondContact O-N 3.25Å; E654-W658 PolarHBondContact O-N 3.35Å
655	K	97.1	Very high	94.8	Very high	6 Å²	6	58.2 Å²	58.2	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-42.2	174.3	-71.6	162	175.6	156.1	0	111.3	C574 E593 I597 P646 S647 L648 S650 T651 R652 W658 I659	C574-K655 HydrophobicContact CB-CG 4.34Å; E593-K655 HydrophobicContact CG-CD 4.46Å; E593-K655 IonicContact OE1-NZ 3.76Å; E593-K655 WeakPolarHBondContact OE2-CD 3.49Å; E593-K655 WeakPolarHBondContact OE2-CE 3.27Å; E593-K655 IonicContact OE2-NZ 2.89Å; E593-K655 PolarHBondContact OE2-NZ 2.84Å; I597-K655 HydrophobicContact CD1-CB 3.86Å; P646-K655 HydrophobicContact CB-CG 3.9Å; P646-K655 HydrophobicContact CG-CG 4.11Å; S647-K655 VanDerWaalsContact O-CE 3.27Å; S647-K655 WeakPolarHBondContact O-CE 3.46Å; L648-K655 PolarHBondContact O-NZ 3.17Å; S650-K655 WeakPolarHBondContact O-CE 3.24Å; S650-K655 PolarHBondContact O-NZ 3.26Å; T651-K655 PolarHBondContact O-N 3.4Å; R652-K655 PolarHBondContact O-N 2.69Å; K655-W658 PolarHBondContact O-N 3.13Å; K655-I659 WeakPolarHBondContact O-CB 3.43Å; K655-I659 WeakPolarHBondContact O-CD1 3.3Å; K655-I659 VanDerWaalsContact O-CG1 3.31Å; K655-I659 WeakPolarHBondContact O-CG1 3.47Å; K655-I659 PolarHBondContact O-N 3.27Å
656	E	97.2	Very high	94.9	Very high	43 Å²	43	59.5 Å²	59.5	20%	0.201	29%	0.285	C	S	.	.	H	α-helix	trans	-67.8	-39.8	175.9	-179.2	156.3	176.6	0	0	112.1	I597 R652 E654 W658 I659 R660	I597-E656 HydrophobicContact CD1-CB 4Å; I597-E656 HydrophobicContact CG1-CB 4.24Å; I597-E656 HydrophobicContact CG2-CB 3.93Å; I597-E656 HydrophobicContact CG2-CG 3.81Å; R652-E656 WeakPolarHBondContact O-CB 3.41Å; R652-E656 PolarHBondContact O-N 3.15Å; E654-E656 VanDerWaalsContact C-N 3.33Å; E654-E656 PolarHBondContact O-N 2.76Å; E656-W658 VanDerWaalsContact C-N 3.32Å; E656-W658 PolarHBondContact O-N 3.05Å; E656-I659 PolarHBondContact O-N 2.86Å; E656-R660 HydrophobicContact CG-CG 4.26Å; E656-R660 WeakPolarHBondContact O-CB 3.42Å; E656-R660 WeakPolarHBondContact O-CG 3.38Å; E656-R660 PolarHBondContact O-N 3.32Å; E656-R660 IonicContact OE1-CZ 2.76Å; E656-R660 VanDerWaalsContact OE1-CZ 3.25Å; E656-R660 IonicContact OE1-NE 3.66Å; E656-R660 PolarHBondContact OE1-NE 2.69Å; E656-R660 IonicContact OE1-NH2 3Å; E656-R660 PolarHBondContact OE1-NH2 3.39Å
657	R	96.1	Very high	94.9	Very high	148 Å²	148	61.3 Å²	61.3	56%	0.558	29%	0.294	S	S	*	.	H	α-helix	trans	-63.1	-36.2	174.8	-165.4	-177.9	-55.7	108.3	8.3	112.6	E653 E654 A661	E653-R657 VanDerWaalsContact O-CB 3.32Å; E653-R657 WeakPolarHBondContact O-CB 3.37Å; E653-R657 PolarHBondContact O-N 3.26Å; E653-R657 VanDerWaalsContact O-N 3.09Å; E654-R657 PolarHBondContact O-N 3.25Å; R657-A661 VanDerWaalsContact O-CB 3.27Å; R657-A661 WeakPolarHBondContact O-CB 3.48Å; R657-A661 PolarHBondContact O-N 2.9Å
658	W	96.6	Very high	95.1	Very high	16 Å²	16	58.5 Å²	58.5	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-53.4	172.7	-177.4	-99.4	0	0	0	111.7	E637 R643 T644 K645 P646 E654 K655 E656 R660 A661 K662 F668	E637-W658 HydrophobicContact CG-CZ2 4.38Å; E637-W658 PolarHBondContact OE1-NE1 3.34Å; R643-W658 HydrophobicContact CB-CZ3 3.81Å; T644-W658 VanDerWaalsContact C-CZ3 3.48Å; T644-W658 WeakPolarHBondContact O-CZ3 3.41Å; K645-W658 HydrophobicContact CB-CH2 3.97Å; K645-W658 HydrophobicContact CB-CZ2 3.84Å; K645-W658 HydrophobicContact CB-CZ3 4.44Å; K645-W658 HydrophobicContact CD-CZ2 4.41Å; K645-W658 HydrophobicContact CG-CH2 4.48Å; K645-W658 HydrophobicContact CG-CZ2 3.84Å; P646-W658 VanDerWaalsContact CD-CD2 3.5Å; P646-W658 HydrophobicContact CG-CB 3.85Å; P646-W658 HydrophobicContact CG-CG 3.91Å; E654-W658 PolarHBondContact O-N 3.35Å; K655-W658 PolarHBondContact O-N 3.13Å; E656-W658 VanDerWaalsContact C-N 3.32Å; E656-W658 PolarHBondContact O-N 3.05Å; W658-R660 VanDerWaalsContact C-N 3.32Å; W658-R660 PolarHBondContact O-N 3.04Å; W658-A661 WeakPolarHBondContact O-CB 3.23Å; W658-A661 PolarHBondContact O-N 3.05Å; W658-A661 VanDerWaalsContact O-N 3.13Å; W658-K662 VanDerWaalsContact O-CB 3.27Å; W658-K662 WeakPolarHBondContact O-CB 3.23Å; W658-K662 PolarHBondContact O-N 2.94Å; W658-F668 AromaticContact CD2-CE2 3.68Å; W658-F668 HydrophobicContact CD2-CE2 3.68Å; W658-F668 HydrophobicContact CD2-CZ 4.26Å; W658-F668 AromaticContact CE2-CE2 3.76Å; W658-F668 AromaticContact CE3-CE2 3.67Å; W658-F668 HydrophobicContact CE3-CE2 3.67Å; W658-F668 AromaticContact CE3-CZ 3.77Å; W658-F668 HydrophobicContact CE3-CZ 3.77Å; W658-F668 HydrophobicContact CG-CE2 4.41Å; W658-F668 HydrophobicContact CH2-CD2 4.19Å; W658-F668 AromaticContact CH2-CE2 3.82Å; W658-F668 HydrophobicContact CH2-CE2 3.82Å; W658-F668 HydrophobicContact CH2-CZ 4.1Å; W658-F668 HydrophobicContact CZ2-CD2 4.03Å; W658-F668 AromaticContact CZ2-CE2 3.83Å; W658-F668 HydrophobicContact CZ2-CE2 3.83Å; W658-F668 HydrophobicContact CZ3-CE1 4.46Å; W658-F668 AromaticContact CZ3-CE2 3.74Å; W658-F668 HydrophobicContact CZ3-CE2 3.74Å; W658-F668 AromaticContact CZ3-CZ 3.69Å; W658-F668 HydrophobicContact CZ3-CZ 3.69Å
659	I	97.6	Very high	95.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-39.3	-176.7	-74.1	165.1	0	0	0	111.8	D573 C594 I597 L601 K655 E656 K662 Y663	D573-I659 HydrophobicContact CB-CD1 4.06Å; D573-I659 HydrophobicContact CB-CG1 3.84Å; C594-I659 HydrophobicContact CB-CD1 3.82Å; I597-I659 HydrophobicContact CB-CD1 4.02Å; I597-I659 HydrophobicContact CD1-CD1 3.91Å; I597-I659 HydrophobicContact CG2-CB 4Å; I597-I659 HydrophobicContact CG2-CD1 3.97Å; I597-I659 HydrophobicContact CG2-CG2 3.67Å; L601-I659 HydrophobicContact CD1-CG2 3.84Å; L601-I659 HydrophobicContact CG-CG2 4.44Å; K655-I659 WeakPolarHBondContact O-CB 3.43Å; K655-I659 WeakPolarHBondContact O-CD1 3.3Å; K655-I659 VanDerWaalsContact O-CG1 3.31Å; K655-I659 WeakPolarHBondContact O-CG1 3.47Å; K655-I659 PolarHBondContact O-N 3.27Å; E656-I659 PolarHBondContact O-N 2.86Å; I659-K662 PolarHBondContact O-N 3.39Å; I659-Y663 HydrophobicContact CG2-CD2 4.14Å; I659-Y663 WeakPolarHBondContact O-CD2 3.21Å; I659-Y663 PolarHBondContact O-N 3.25Å
660	R	96.6	Very high	95.8	Very high	61 Å²	61	47.7 Å²	47.7	23%	0.23	22%	0.217	C	C	.	.	I	π-helix	trans	-67.8	-45.2	173.3	-70.4	-177	178.5	-77.4	-3.7	112.6	L601 E656 W658 K662 E664 Q665	L601-R660 HydrophobicContact CD2-CG 4.03Å; E656-R660 HydrophobicContact CG-CG 4.26Å; E656-R660 WeakPolarHBondContact O-CB 3.42Å; E656-R660 WeakPolarHBondContact O-CG 3.38Å; E656-R660 PolarHBondContact O-N 3.32Å; E656-R660 IonicContact OE1-CZ 2.76Å; E656-R660 VanDerWaalsContact OE1-CZ 3.25Å; E656-R660 IonicContact OE1-NE 3.66Å; E656-R660 PolarHBondContact OE1-NE 2.69Å; E656-R660 IonicContact OE1-NH2 3Å; E656-R660 PolarHBondContact OE1-NH2 3.39Å; W658-R660 VanDerWaalsContact C-N 3.32Å; W658-R660 PolarHBondContact O-N 3.04Å; R660-K662 PolarHBondContact O-N 3.46Å; R660-E664 HydrophobicContact CB-CB 4.47Å; R660-E664 WeakPolarHBondContact CB-OE2 3.46Å; R660-E664 VanDerWaalsContact CD-OE2 3.32Å; R660-E664 WeakPolarHBondContact CD-OE2 3.38Å; R660-E664 WeakPolarHBondContact CG-OE2 3.44Å; R660-E664 IonicContact CZ-OE2 3.71Å; R660-E664 IonicContact NE-OE2 3.12Å; R660-E664 IonicContact NH1-OE1 3.62Å; R660-E664 PolarHBondContact NH1-OE1 3.18Å; R660-E664 IonicContact NH1-OE2 3.84Å; R660-E664 PolarHBondContact NH1-OE2 3.49Å; R660-E664 WeakPolarHBondContact O-CB 3.34Å; R660-E664 PolarHBondContact O-N 2.82Å; R660-E664 VanDerWaalsContact O-N 3.09Å; R660-Q665 PolarHBondContact O-N 3.01Å
661	A	95.9	Very high	95.6	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-57.9	-37.7	174.6	0	0	0	0	0	112.2	R657 W658 K666 L667 F668	R657-A661 VanDerWaalsContact O-CB 3.27Å; R657-A661 WeakPolarHBondContact O-CB 3.48Å; R657-A661 PolarHBondContact O-N 2.9Å; W658-A661 WeakPolarHBondContact O-CB 3.23Å; W658-A661 PolarHBondContact O-N 3.05Å; W658-A661 VanDerWaalsContact O-N 3.13Å; A661-K666 PolarHBondContact O-N 3.28Å; A661-L667 HydrophobicContact CB-CD1 4.13Å; A661-L667 WeakPolarHBondContact O-CB 3.34Å; A661-L667 PolarHBondContact O-N 3.28Å; A661-F668 HydrophobicContact CB-CE1 4.28Å; A661-F668 HydrophobicContact CB-CE2 3.83Å; A661-F668 HydrophobicContact CB-CZ 3.52Å
662	K	96.4	Very high	95.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-72.1	-55.1	-178.2	-173.2	169.9	176.7	-175.3	0	113.6	V572 D573 N633 W636 E637 W658 I659 R660 K666 F668	V572-K662 PolarHBondContact O-NZ 3.29Å; V572-K662 VanDerWaalsContact O-NZ 3.13Å; D573-K662 IonicContact OD1-NZ 2.65Å; D573-K662 PolarHBondContact OD1-NZ 2.93Å; N633-K662 PolarHBondContact OD1-NZ 3.25Å; W636-K662 HydrophobicContact CB-CG 4.31Å; W636-K662 WeakPolarHBondContact O-CG 3.37Å; E637-K662 VanDerWaalsContact CD-NZ 3.32Å; E637-K662 HydrophobicContact CG-CD 4.06Å; E637-K662 VanDerWaalsContact CG-CE 3.42Å; E637-K662 VanDerWaalsContact OE1-CE 3.32Å; E637-K662 WeakPolarHBondContact OE1-CE 3.45Å; E637-K662 IonicContact OE1-NZ 3.83Å; E637-K662 PolarHBondContact OE1-NZ 3.05Å; W658-K662 VanDerWaalsContact O-CB 3.27Å; W658-K662 WeakPolarHBondContact O-CB 3.23Å; W658-K662 PolarHBondContact O-N 2.94Å; I659-K662 PolarHBondContact O-N 3.39Å; R660-K662 PolarHBondContact O-N 3.46Å; K662-K666 WeakPolarHBondContact O-CA 3.22Å; K662-F668 HydrophobicContact CB-CD2 3.7Å; K662-F668 HydrophobicContact CB-CE2 3.96Å; K662-F668 HydrophobicContact CG-CD2 4.06Å
663	Y	96.7	Very high	94.7	Very high	2 Å²	2	49 Å²	49	1%	0.008	24%	0.235	C	C	.	.	I	π-helix	trans	-106.3	-36.7	-168.5	-60.3	-70.1	0	0	0	114.8	D573 L586 H598 W636 I659	D573-Y663 WeakPolarHBondContact OD1-CE2 3.35Å; D573-Y663 PolarHBondContact OD1-OH 3.45Å; L586-Y663 HydrophobicContact CD1-CD1 3.86Å; L586-Y663 HydrophobicContact CD1-CE1 3.53Å; L586-Y663 HydrophobicContact CD1-CE2 4.44Å; L586-Y663 HydrophobicContact CD1-CG 4.44Å; L586-Y663 HydrophobicContact CD2-CD1 4.06Å; L586-Y663 HydrophobicContact CD2-CE1 3.97Å; L586-Y663 HydrophobicContact CG-CE1 4.32Å; H598-Y663 AromaticContact CE1-CD2 3.46Å; H598-Y663 VanDerWaalsContact CE1-CD2 3.46Å; H598-Y663 WeakPolarHBondContact CE1-CD2 3.24Å; H598-Y663 AromaticContact CE1-CE2 3.22Å; H598-Y663 WeakPolarHBondContact CE1-CE2 3.34Å; H598-Y663 AromaticContact CE1-CZ 3.86Å; H598-Y663 AromaticContact NE2-CD2 3.72Å; H598-Y663 AromaticContact NE2-CE2 3.34Å; H598-Y663 VanDerWaalsContact NE2-CE2 3.34Å; H598-Y663 WeakPolarHBondContact NE2-CE2 3.22Å; W636-Y663 HydrophobicContact CB-CE1 4.06Å; W636-Y663 AromaticContact CD2-CD1 3.7Å; W636-Y663 HydrophobicContact CD2-CD1 3.7Å; W636-Y663 AromaticContact CD2-CE1 3.66Å; W636-Y663 HydrophobicContact CD2-CE1 3.66Å; W636-Y663 AromaticContact CE3-CD1 3.5Å; W636-Y663 HydrophobicContact CE3-CD1 3.5Å; W636-Y663 AromaticContact CE3-CE1 3.93Å; W636-Y663 HydrophobicContact CE3-CE1 3.93Å; W636-Y663 HydrophobicContact CE3-CG 4.48Å; W636-Y663 HydrophobicContact CG-CD1 4.27Å; W636-Y663 AromaticContact CG-CE1 3.74Å; W636-Y663 HydrophobicContact CG-CE1 3.74Å; W636-Y663 HydrophobicContact CH2-CD1 4.24Å; W636-Y663 HydrophobicContact CZ2-CD1 4.4Å; W636-Y663 AromaticContact CZ3-CD1 3.8Å; W636-Y663 HydrophobicContact CZ3-CD1 3.8Å; I659-Y663 HydrophobicContact CG2-CD2 4.14Å; I659-Y663 WeakPolarHBondContact O-CD2 3.21Å; I659-Y663 PolarHBondContact O-N 3.25Å
664	E	95.3	Very high	93.6	Very high	87 Å²	87	50.2 Å²	50.2	41%	0.407	25%	0.254	S	S	.	.	I	π-helix	trans	-83.3	-41.4	-178.3	177.5	177.7	-119.2	0	0	111.1	L601 L605 R660	L601-E664 HydrophobicContact CD2-CB 4.42Å; L605-E664 HydrophobicContact CD1-CB 4.01Å; L605-E664 HydrophobicContact CD1-CG 4.33Å; R660-E664 HydrophobicContact CB-CB 4.47Å; R660-E664 WeakPolarHBondContact CB-OE2 3.46Å; R660-E664 VanDerWaalsContact CD-OE2 3.32Å; R660-E664 WeakPolarHBondContact CD-OE2 3.38Å; R660-E664 WeakPolarHBondContact CG-OE2 3.44Å; R660-E664 IonicContact CZ-OE2 3.71Å; R660-E664 IonicContact NE-OE2 3.12Å; R660-E664 IonicContact NH1-OE1 3.62Å; R660-E664 PolarHBondContact NH1-OE1 3.18Å; R660-E664 IonicContact NH1-OE2 3.84Å; R660-E664 PolarHBondContact NH1-OE2 3.49Å; R660-E664 WeakPolarHBondContact O-CB 3.34Å; R660-E664 PolarHBondContact O-N 2.82Å; R660-E664 VanDerWaalsContact O-N 3.09Å
665	Q	94.9	Very high	92.9	Very high	105 Å²	105	49.2 Å²	49.2	49%	0.491	25%	0.254	S	S	.	.	S	Bend	trans	-98.1	-7.4	-179.4	-57.2	171.2	5.8	0	0	113.2	R660 L667	R660-Q665 PolarHBondContact O-N 3.01Å; Q665-L667 HydrophobicContact CB-CD1 4.32Å; Q665-L667 HydrophobicContact CB-CD2 4.33Å; Q665-L667 HydrophobicContact CB-CG 3.81Å; Q665-L667 PolarHBondContact O-N 3.3Å
666	K	94.9	Very high	92.1	Very high	78 Å²	78	58.4 Å²	58.4	34%	0.339	30%	0.297	S	S	.	.			trans	52	22.7	179.6	-52.7	-175.8	-175.6	-174.7	0	115.2	W636 A661 K662 F668 L669 A700 H701	W636-K666 HydrophobicContact CZ3-CG 4.4Å; A661-K666 PolarHBondContact O-N 3.28Å; K662-K666 WeakPolarHBondContact O-CA 3.22Å; K666-F668 VanDerWaalsContact C-N 3.25Å; K666-F668 PolarHBondContact O-N 3.49Å; K666-L669 HydrophobicContact CB-CB 4.2Å; K666-L669 HydrophobicContact CB-CD2 4.11Å; K666-L669 HydrophobicContact CD-CD2 4.05Å; K666-L669 HydrophobicContact CG-CD2 4.42Å; K666-L669 VanDerWaalsContact O-CB 3.23Å; K666-L669 WeakPolarHBondContact O-CB 3.4Å; K666-L669 PolarHBondContact O-N 3.4Å; K666-L669 VanDerWaalsContact O-N 3.17Å; K666-A700 WeakPolarHBondContact CD-O 3.4Å; K666-A700 VanDerWaalsContact CE-O 3.23Å; K666-A700 WeakPolarHBondContact CE-O 3.26Å; K666-A700 PolarHBondContact NZ-O 3.5Å; K666-H701 PolarHBondContact NZ-O 3.06Å
667	L	93.9	Very high	91.5	Very high	49 Å²	49	60.7 Å²	60.7	26%	0.257	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.7	-169.5	-63.1	-177.3	0	0	0	114.2	Q641 A661 Q665	Q641-L667 PolarHBondContact NE2-O 3.27Å; A661-L667 HydrophobicContact CB-CD1 4.13Å; A661-L667 WeakPolarHBondContact O-CB 3.34Å; A661-L667 PolarHBondContact O-N 3.28Å; Q665-L667 HydrophobicContact CB-CD1 4.32Å; Q665-L667 HydrophobicContact CB-CD2 4.33Å; Q665-L667 HydrophobicContact CB-CG 3.81Å; Q665-L667 PolarHBondContact O-N 3.3Å
668	F	94.9	Very high	91.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	0.3	-178	-43.4	-37.8	0	0	0	113.4	W636 E638 G639 R643 W658 A661 K662 K666 A670	W636-F668 WeakPolarHBondContact O-CB 3.42Å; E638-F668 PolarHBondContact N-O 2.99Å; G639-F668 PolarHBondContact N-O 2.79Å; G639-F668 WeakPolarHBondContact O-CA 3.32Å; R643-F668 HydrophobicContact CB-CE1 4.26Å; R643-F668 HydrophobicContact CB-CZ 4.34Å; R643-F668 HydrophobicContact CG-CE1 4.25Å; W658-F668 AromaticContact CD2-CE2 3.68Å; W658-F668 HydrophobicContact CD2-CE2 3.68Å; W658-F668 HydrophobicContact CD2-CZ 4.26Å; W658-F668 AromaticContact CE2-CE2 3.76Å; W658-F668 AromaticContact CE3-CE2 3.67Å; W658-F668 HydrophobicContact CE3-CE2 3.67Å; W658-F668 AromaticContact CE3-CZ 3.77Å; W658-F668 HydrophobicContact CE3-CZ 3.77Å; W658-F668 HydrophobicContact CG-CE2 4.41Å; W658-F668 HydrophobicContact CH2-CD2 4.19Å; W658-F668 AromaticContact CH2-CE2 3.82Å; W658-F668 HydrophobicContact CH2-CE2 3.82Å; W658-F668 HydrophobicContact CH2-CZ 4.1Å; W658-F668 HydrophobicContact CZ2-CD2 4.03Å; W658-F668 AromaticContact CZ2-CE2 3.83Å; W658-F668 HydrophobicContact CZ2-CE2 3.83Å; W658-F668 HydrophobicContact CZ3-CE1 4.46Å; W658-F668 AromaticContact CZ3-CE2 3.74Å; W658-F668 HydrophobicContact CZ3-CE2 3.74Å; W658-F668 AromaticContact CZ3-CZ 3.69Å; W658-F668 HydrophobicContact CZ3-CZ 3.69Å; A661-F668 HydrophobicContact CB-CE1 4.28Å; A661-F668 HydrophobicContact CB-CE2 3.83Å; A661-F668 HydrophobicContact CB-CZ 3.52Å; K662-F668 HydrophobicContact CB-CD2 3.7Å; K662-F668 HydrophobicContact CB-CE2 3.96Å; K662-F668 HydrophobicContact CG-CD2 4.06Å; K666-F668 VanDerWaalsContact C-N 3.25Å; K666-F668 PolarHBondContact O-N 3.49Å; F668-A670 PolarHBondContact O-N 3.2Å
669	L	95.1	Very high	91	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-64.3	132.5	-177.6	-176.4	60.7	0	0	0	110	V635 W636 K666 L697 A700	V635-L669 HydrophobicContact CG1-CD1 3.52Å; V635-L669 WeakPolarHBondContact O-CA 3.35Å; W636-L669 HydrophobicContact CD2-CD1 4.2Å; W636-L669 HydrophobicContact CE3-CD1 4.08Å; W636-L669 HydrophobicContact CZ3-CD1 4.37Å; K666-L669 HydrophobicContact CB-CB 4.2Å; K666-L669 HydrophobicContact CB-CD2 4.11Å; K666-L669 HydrophobicContact CD-CD2 4.05Å; K666-L669 HydrophobicContact CG-CD2 4.42Å; K666-L669 VanDerWaalsContact O-CB 3.23Å; K666-L669 WeakPolarHBondContact O-CB 3.4Å; K666-L669 PolarHBondContact O-N 3.4Å; K666-L669 VanDerWaalsContact O-N 3.17Å; L669-L697 HydrophobicContact CD1-CD1 4.32Å; L669-A700 HydrophobicContact CD1-CB 3.59Å; L669-A700 HydrophobicContact CD2-CB 3.9Å; L669-A700 HydrophobicContact CG-CB 4.42Å
670	A	94.6	Very high	90.8	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-53.6	143.1	177.8	0	0	0	0	0	111.6	V635 E638 F668 L697 H701	V635-A670 PolarHBondContact O-N 2.61Å; E638-A670 HydrophobicContact CB-CB 3.79Å; E638-A670 HydrophobicContact CG-CB 4.3Å; E638-A670 WeakPolarHBondContact OE2-CB 3.39Å; F668-A670 PolarHBondContact O-N 3.2Å; A670-L697 HydrophobicContact CB-CD1 3.91Å; A670-L697 WeakPolarHBondContact O-CD1 3.27Å; A670-H701 PolarHBondContact O-NE2 3.13Å
671	P	91.6	Very high	90.5	Very high	94 Å²	94	56.6 Å²	56.6	61%	0.61	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-65.9	148	177.6	28.7	-34.6	0	0	0	111
672	L	89.4	Confident	90.4	Very high	65 Å²	65	57.7 Å²	57.7	34%	0.34	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-64.6	146.4	170	-71.1	176.3	0	0	0	110.7	C674 L679 L697 L698 H701	L672-C674 PolarHBondContact O-N 3.32Å; L672-L679 HydrophobicContact CD1-CD1 4.08Å; L672-L697 HydrophobicContact CD2-CG 4.28Å; L672-L698 HydrophobicContact CD2-CD2 3.74Å; L672-H701 HydrophobicContact CD1-CB 4.18Å; L672-H701 HydrophobicContact CD2-CB 4.1Å; L672-H701 WeakPolarHBondContact CD2-CD2 3.43Å; L672-H701 HydrophobicContact CG-CB 4.31Å
673	P	82.5	Confident	90.3	Very high	60 Å²	60	57.8 Å²	57.8	39%	0.39	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-59.7	132.1	169.5	-19.1	32	0	0	0	110.1	T675	P673-T675 HydrophobicContact CB-CG2 4.1Å; P673-T675 PolarHBondContact O-N 2.86Å
674	C	72.8	Confident	90.1	Very high	140 Å²	140	58.1 Å²	58.1	95%	0.946	31%	0.31	S	S	*	.			trans	-70.7	104.7	175	-169.3	0	0	0	0	109.3	L672	L672-C674 PolarHBondContact O-N 3.32Å
675	T	80.7	Confident	90	Very high	63 Å²	63	59.4 Å²	59.4	39%	0.387	31%	0.311	S	S	.	.			trans	-139.6	161.7	176.9	84.9	0	0	0	0	110.4	P673 F677 Q682	P673-T675 HydrophobicContact CB-CG2 4.1Å; P673-T675 PolarHBondContact O-N 2.86Å; T675-F677 PolarHBondContact O-N 2.88Å; T675-F677 PolarHBondContact OG1-N 2.77Å; T675-Q682 PolarHBondContact OG1-NE2 3.41Å; T675-Q682 VanDerWaalsContact OG1-NE2 3.13Å
676	E	80.4	Confident	90	Very high	199 Å²	199	54.6 Å²	54.6	93%	0.93	29%	0.289	S	S	*	.	S	Bend	trans	-79.8	-1.7	178.3	-57.5	-177	155.9	0	0	113.5
677	F	85.3	Confident	90.1	Very high	91 Å²	91	50.9 Å²	50.9	40%	0.399	27%	0.273	S	S	.	.	S	Bend	trans	-94.2	146.2	-176.6	-57.9	-74.7	0	0	0	112	T675 Q681 Q682	T675-F677 PolarHBondContact O-N 2.88Å; T675-F677 PolarHBondContact OG1-N 2.77Å; F677-Q681 HydrophobicContact CB-CB 4.05Å; F677-Q682 HydrophobicContact CB-CG 4.01Å; F677-Q682 PolarHBondContact O-NE2 2.91Å
678	S	90.2	Very high	90	Very high	41 Å²	41	50.6 Å²	50.6	29%	0.287	28%	0.278	S	S	.	.			trans	-60.8	161.9	173.3	69.2	0	0	0	0	112.2	G680 Q681 Q682 E709	S678-G680 VanDerWaalsContact C-N 3.28Å; S678-G680 PolarHBondContact O-N 3.34Å; S678-Q681 PolarHBondContact O-N 3.28Å; S678-Q681 VanDerWaalsContact OG-CB 3.3Å; S678-Q681 WeakPolarHBondContact OG-CB 3.34Å; S678-Q681 WeakPolarHBondContact OG-CG 3.39Å; S678-Q681 PolarHBondContact OG-N 2.89Å; S678-Q681 PolarHBondContact OG-NE2 3.43Å; S678-Q682 WeakPolarHBondContact O-CG 3.31Å; S678-Q682 PolarHBondContact O-N 2.8Å; S678-E709 WeakPolarHBondContact CB-OE2 3.39Å; S678-E709 PolarHBondContact OG-OE1 3.39Å; S678-E709 VanDerWaalsContact OG-OE1 3.09Å; S678-E709 PolarHBondContact OG-OE2 3Å
679	L	92.3	Very high	90	Very high	15 Å²	15	57 Å²	57	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-40	176.3	-172.3	148.7	0	0	0	111.8	L672 Q682 L683 L698 H701 E706	L672-L679 HydrophobicContact CD1-CD1 4.08Å; L679-Q682 PolarHBondContact O-N 3.09Å; L679-L683 WeakPolarHBondContact O-CB 3.41Å; L679-L683 PolarHBondContact O-N 2.78Å; L679-L698 HydrophobicContact CG-CD2 3.97Å; L679-H701 HydrophobicContact CD1-CB 3.8Å; L679-E706 HydrophobicContact CB-CB 4.42Å; L679-E706 HydrophobicContact CD2-CB 3.92Å
680	G	91.4	Very high	90	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-40.3	176.6	0	0	0	0	0	113.2	S678 L683 L684 E706 E709	S678-G680 VanDerWaalsContact C-N 3.28Å; S678-G680 PolarHBondContact O-N 3.34Å; G680-L683 WeakPolarHBondContact O-CB 3.48Å; G680-L683 PolarHBondContact O-N 3.29Å; G680-L684 WeakPolarHBondContact O-CB 3.27Å; G680-L684 WeakPolarHBondContact O-CD1 3.18Å; G680-L684 VanDerWaalsContact O-CG 3.24Å; G680-L684 WeakPolarHBondContact O-CG 3.32Å; G680-L684 PolarHBondContact O-N 2.89Å; G680-E706 VanDerWaalsContact CA-O 3.27Å; G680-E706 WeakPolarHBondContact CA-O 3.28Å; G680-E709 VanDerWaalsContact CA-OE2 3.23Å; G680-E709 WeakPolarHBondContact CA-OE2 3.41Å; G680-E709 PolarHBondContact N-OE2 3.24Å
681	Q	90.8	Very high	90.1	Very high	81 Å²	81	62.8 Å²	62.8	38%	0.379	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-40.3	173	-72.7	157.1	32.6	0	0	112.4	F677 S678 L683 L684 R685 E709	F677-Q681 HydrophobicContact CB-CB 4.05Å; S678-Q681 PolarHBondContact O-N 3.28Å; S678-Q681 VanDerWaalsContact OG-CB 3.3Å; S678-Q681 WeakPolarHBondContact OG-CB 3.34Å; S678-Q681 WeakPolarHBondContact OG-CG 3.39Å; S678-Q681 PolarHBondContact OG-N 2.89Å; S678-Q681 PolarHBondContact OG-NE2 3.43Å; Q681-L683 VanDerWaalsContact C-N 3.33Å; Q681-L684 PolarHBondContact O-N 3.13Å; Q681-R685 PolarHBondContact O-N 3.17Å; Q681-E709 WeakPolarHBondContact CG-OE1 3.1Å; Q681-E709 PolarHBondContact N-OE2 2.98Å; Q681-E709 PolarHBondContact NE2-OE1 3.34Å
682	Q	93.3	Very high	90.3	Very high	24 Å²	24	59.7 Å²	59.7	11%	0.112	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-41.3	171.9	-68.4	179.8	51.4	0	0	110.9	T675 F677 S678 L679 R685 A686 L698	T675-Q682 PolarHBondContact OG1-NE2 3.41Å; T675-Q682 VanDerWaalsContact OG1-NE2 3.13Å; F677-Q682 HydrophobicContact CB-CG 4.01Å; F677-Q682 PolarHBondContact O-NE2 2.91Å; S678-Q682 WeakPolarHBondContact O-CG 3.31Å; S678-Q682 PolarHBondContact O-N 2.8Å; L679-Q682 PolarHBondContact O-N 3.09Å; Q682-R685 PolarHBondContact O-N 3.3Å; Q682-A686 WeakPolarHBondContact O-CB 3.21Å; Q682-A686 PolarHBondContact O-N 2.93Å; Q682-L698 HydrophobicContact CB-CD1 3.8Å; Q682-L698 HydrophobicContact CB-CD2 3.76Å; Q682-L698 HydrophobicContact CB-CG 4.48Å
683	L	95.3	Very high	90.6	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-40.9	179.2	-178.9	66.9	0	0	0	111.9	L679 G680 Q681 T687 V695 L698 L699 V707 A719 L735	L679-L683 WeakPolarHBondContact O-CB 3.41Å; L679-L683 PolarHBondContact O-N 2.78Å; G680-L683 WeakPolarHBondContact O-CB 3.48Å; G680-L683 PolarHBondContact O-N 3.29Å; Q681-L683 VanDerWaalsContact C-N 3.33Å; L683-T687 VanDerWaalsContact O-CB 3.26Å; L683-T687 WeakPolarHBondContact O-CB 3.37Å; L683-T687 PolarHBondContact O-N 3.44Å; L683-T687 PolarHBondContact O-OG1 3.39Å; L683-V695 HydrophobicContact CD1-CB 4.42Å; L683-V695 HydrophobicContact CD1-CG1 3.99Å; L683-V695 HydrophobicContact CD1-CG2 4.29Å; L683-L698 HydrophobicContact CB-CB 4.46Å; L683-L698 HydrophobicContact CB-CD1 4.28Å; L683-L698 HydrophobicContact CD1-CB 4.11Å; L683-L699 HydrophobicContact CD1-CD2 4Å; L683-L699 HydrophobicContact CD1-CG 4.1Å; L683-L699 HydrophobicContact CD2-CD2 3.88Å; L683-V707 HydrophobicContact CD2-CB 3.88Å; L683-V707 HydrophobicContact CD2-CG1 4.01Å; L683-A719 HydrophobicContact CD2-CB 4.25Å; L683-A719 HydrophobicContact CG-CB 4.14Å; L683-L735 HydrophobicContact CD1-CD2 4.32Å; L683-L735 HydrophobicContact CD2-CD2 4.13Å; L683-L735 HydrophobicContact CG-CD2 4.45Å
684	L	93.6	Very high	91.2	Very high	9 Å²	9	59.1 Å²	59.1	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-45	173.9	-72.3	161.8	0	0	0	111.1	G680 Q681 A688 C711 R717 A719 L722	G680-L684 WeakPolarHBondContact O-CB 3.27Å; G680-L684 WeakPolarHBondContact O-CD1 3.18Å; G680-L684 VanDerWaalsContact O-CG 3.24Å; G680-L684 WeakPolarHBondContact O-CG 3.32Å; G680-L684 PolarHBondContact O-N 2.89Å; Q681-L684 PolarHBondContact O-N 3.13Å; L684-A688 WeakPolarHBondContact O-CB 3.48Å; L684-A688 PolarHBondContact O-N 3.38Å; L684-C711 HydrophobicContact CD1-CB 4.4Å; L684-C711 HydrophobicContact CD2-CB 4.46Å; L684-R717 WeakPolarHBondContact CD2-O 3.39Å; L684-A719 HydrophobicContact CD2-CB 4.26Å; L684-L722 HydrophobicContact CB-CD1 4.22Å; L684-L722 HydrophobicContact CD2-CD1 3.69Å; L684-L722 WeakPolarHBondContact O-CD1 3.27Å
685	R	92.7	Very high	92.4	Very high	114 Å²	114	52.4 Å²	52.4	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-53.4	175.3	-177.5	178.6	-66.5	150.6	5.6	111.6	Q681 Q682 T687 A688 E689	Q681-R685 PolarHBondContact O-N 3.17Å; Q682-R685 PolarHBondContact O-N 3.3Å; R685-T687 PolarHBondContact O-N 2.96Å; R685-A688 WeakPolarHBondContact O-CA 3.37Å; R685-A688 WeakPolarHBondContact O-CB 3.43Å; R685-A688 PolarHBondContact O-N 3.44Å; R685-E689 WeakPolarHBondContact CD-OE1 3.3Å; R685-E689 VanDerWaalsContact CG-CD 3.48Å; R685-E689 HydrophobicContact CG-CG 4.38Å; R685-E689 WeakPolarHBondContact CG-OE1 3.27Å; R685-E689 PolarHBondContact O-N 3.33Å
686	A	95.1	Very high	93.1	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-35.4	-179	0	0	0	0	0	112.3	Q682 E690 D691 T694 V695 L698	Q682-A686 WeakPolarHBondContact O-CB 3.21Å; Q682-A686 PolarHBondContact O-N 2.93Å; A686-E690 WeakPolarHBondContact O-CA 3.15Å; A686-E690 PolarHBondContact O-N 3.19Å; A686-D691 PolarHBondContact O-N 3.25Å; A686-T694 HydrophobicContact CB-CG2 3.77Å; A686-V695 HydrophobicContact CB-CG2 3.76Å; A686-L698 HydrophobicContact CB-CD1 4.13Å
687	T	95.9	Very high	93.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-72	-34.4	174.6	-53.2	0	0	0	0	112.5	L683 R685 E690 A719 L722 A723 L731 L735	L683-T687 VanDerWaalsContact O-CB 3.26Å; L683-T687 WeakPolarHBondContact O-CB 3.37Å; L683-T687 PolarHBondContact O-N 3.44Å; L683-T687 PolarHBondContact O-OG1 3.39Å; R685-T687 PolarHBondContact O-N 2.96Å; T687-E690 PolarHBondContact O-N 2.85Å; T687-A719 HydrophobicContact CG2-CB 4.48Å; T687-A719 WeakPolarHBondContact CG2-O 3.35Å; T687-L722 HydrophobicContact CG2-CB 4.07Å; T687-A723 HydrophobicContact CG2-CB 3.83Å; T687-L731 HydrophobicContact CG2-CD1 4.38Å; T687-L735 HydrophobicContact CG2-CD1 4.2Å
688	A	93.1	Very high	94.4	Very high	43 Å²	43	36.1 Å²	36.1	36%	0.355	18%	0.18	S	C	.	.	H	α-helix	trans	-71.2	-33	174.1	0	0	0	0	0	112.8	L684 R685 L722 K726	L684-A688 WeakPolarHBondContact O-CB 3.48Å; L684-A688 PolarHBondContact O-N 3.38Å; R685-A688 WeakPolarHBondContact O-CA 3.37Å; R685-A688 WeakPolarHBondContact O-CB 3.43Å; R685-A688 PolarHBondContact O-N 3.44Å; A688-L722 HydrophobicContact CB-CD1 4.4Å; A688-K726 VanDerWaalsContact O-CE 3.27Å; A688-K726 WeakPolarHBondContact O-CE 3.35Å; A688-K726 PolarHBondContact O-NZ 2.8Å
689	E	94.6	Very high	94.6	Very high	135 Å²	135	34.4 Å²	34.4	63%	0.631	17%	0.167	S	C	*	.	H	α-helix	trans	-83.8	-14.3	176.2	-70.2	168.1	-173	0	0	112.8	R685 D691	R685-E689 WeakPolarHBondContact CD-OE1 3.3Å; R685-E689 VanDerWaalsContact CG-CD 3.48Å; R685-E689 HydrophobicContact CG-CG 4.38Å; R685-E689 WeakPolarHBondContact CG-OE1 3.27Å; R685-E689 PolarHBondContact O-N 3.33Å; E689-D691 VanDerWaalsContact C-N 3.33Å
690	E	95.2	Very high	94.7	Very high	74 Å²	74	33.7 Å²	33.7	35%	0.346	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	28.2	-177.2	-60.2	179.9	79.7	0	0	114.8	A686 T687 L692 K726 N728 L731	A686-E690 WeakPolarHBondContact O-CA 3.15Å; A686-E690 PolarHBondContact O-N 3.19Å; T687-E690 PolarHBondContact O-N 2.85Å; E690-L692 PolarHBondContact O-N 3.42Å; E690-K726 HydrophobicContact CG-CB 4.49Å; E690-K726 HydrophobicContact CG-CG 4.04Å; E690-K726 VanDerWaalsContact OE2-CD 3.3Å; E690-K726 WeakPolarHBondContact OE2-CD 3.49Å; E690-K726 WeakPolarHBondContact OE2-CG 3.42Å; E690-K726 IonicContact OE2-NZ 3.09Å; E690-K726 PolarHBondContact OE2-NZ 3.41Å; E690-N728 WeakPolarHBondContact OE1-CB 3.28Å; E690-N728 PolarHBondContact OE1-ND2 2.94Å; E690-L731 HydrophobicContact CB-CD1 4.18Å; E690-L731 HydrophobicContact CG-CD1 4.11Å
691	D	96	Very high	94.8	Very high	64 Å²	64	36.6 Å²	36.6	34%	0.342	18%	0.177	S	C	.	.			trans	-74.3	95	172.1	-177.9	-7.4	0	0	0	111.1	A686 E689 R693 T694 V695	A686-D691 PolarHBondContact O-N 3.25Å; E689-D691 VanDerWaalsContact C-N 3.33Å; D691-R693 VanDerWaalsContact C-N 3.29Å; D691-R693 PolarHBondContact O-N 3.09Å; D691-R693 WeakPolarHBondContact OD1-CA 3.2Å; D691-R693 WeakPolarHBondContact OD1-CB 3.35Å; D691-R693 PolarHBondContact OD1-N 3.01Å; D691-T694 VanDerWaalsContact CG-OG1 3.32Å; D691-T694 PolarHBondContact O-N 2.88Å; D691-T694 PolarHBondContact OD1-N 3.36Å; D691-T694 WeakPolarHBondContact OD2-CB 3.47Å; D691-T694 PolarHBondContact OD2-OG1 3.35Å; D691-V695 WeakPolarHBondContact O-CG2 3.47Å; D691-V695 PolarHBondContact O-N 3.38Å
692	L	96.1	Very high	94.8	Very high	30 Å²	30	33.4 Å²	33.4	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-33.6	177	-177.2	61.1	0	0	0	113.5	S626 I627 L631 E690 I696 V730 L731 L734	S626-L692 VanDerWaalsContact O-CD2 3.27Å; S626-L692 WeakPolarHBondContact O-CD2 3.39Å; I627-L692 HydrophobicContact CG1-CD2 4.09Å; L631-L692 HydrophobicContact CD2-CD2 4.24Å; L631-L692 HydrophobicContact CD2-CG 4.37Å; E690-L692 PolarHBondContact O-N 3.42Å; L692-I696 HydrophobicContact CD1-CD1 3.84Å; L692-I696 HydrophobicContact CD1-CG1 4.18Å; L692-I696 HydrophobicContact CG-CD1 3.85Å; L692-I696 WeakPolarHBondContact O-CB 3.25Å; L692-I696 WeakPolarHBondContact O-CD1 3.46Å; L692-I696 WeakPolarHBondContact O-CG1 3.39Å; L692-I696 PolarHBondContact O-N 3.46Å; L692-V730 HydrophobicContact CD1-CG1 3.98Å; L692-V730 HydrophobicContact CD2-CG1 4.48Å; L692-L731 HydrophobicContact CD1-CD2 3.69Å; L692-L734 HydrophobicContact CD1-CD1 3.65Å
693	R	95.8	Very high	94.7	Very high	79 Å²	79	34.9 Å²	34.9	30%	0.298	18%	0.178	S	C	.	.	H	α-helix	trans	-69.2	-49.7	179	-173.6	177.1	-179.2	-95.8	2.5	109.9	L631 S634 V635 E638 D691 V695 I696 L697	L631-R693 HydrophobicContact CD1-CB 3.83Å; L631-R693 HydrophobicContact CD1-CG 3.76Å; S634-R693 PolarHBondContact O-NH2 3.26Å; S634-R693 PolarHBondContact OG-NE 3.17Å; S634-R693 VanDerWaalsContact OG-NE 3.11Å; V635-R693 HydrophobicContact CG2-CG 3.99Å; E638-R693 IonicContact OE2-CZ 2.74Å; E638-R693 IonicContact OE2-NH2 3.91Å; E638-R693 PolarHBondContact OE2-NH2 2.76Å; D691-R693 VanDerWaalsContact C-N 3.29Å; D691-R693 PolarHBondContact O-N 3.09Å; D691-R693 WeakPolarHBondContact OD1-CA 3.2Å; D691-R693 WeakPolarHBondContact OD1-CB 3.35Å; D691-R693 PolarHBondContact OD1-N 3.01Å; R693-V695 VanDerWaalsContact C-N 3.34Å; R693-I696 PolarHBondContact O-N 3.28Å; R693-L697 WeakPolarHBondContact O-CB 3.5Å; R693-L697 PolarHBondContact O-N 2.65Å
694	T	95.6	Very high	94.3	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.202	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-35.5	-177.5	-61	0	0	0	0	111.2	A686 D691 L697 L698	A686-T694 HydrophobicContact CB-CG2 3.77Å; D691-T694 VanDerWaalsContact CG-OG1 3.32Å; D691-T694 PolarHBondContact O-N 2.88Å; D691-T694 PolarHBondContact OD1-N 3.36Å; D691-T694 WeakPolarHBondContact OD2-CB 3.47Å; D691-T694 PolarHBondContact OD2-OG1 3.35Å; T694-L697 PolarHBondContact O-N 2.81Å; T694-L698 HydrophobicContact CG2-CD1 3.7Å; T694-L698 HydrophobicContact CG2-CG 4.33Å; T694-L698 WeakPolarHBondContact O-CB 3.27Å; T694-L698 WeakPolarHBondContact O-CD1 3.25Å; T694-L698 WeakPolarHBondContact O-CG 3.21Å; T694-L698 PolarHBondContact O-N 3.01Å
695	V	96.6	Very high	94	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-48.2	169.9	171	0	0	0	0	111.7	L683 A686 D691 R693 L697 L698 L699 L731	L683-V695 HydrophobicContact CD1-CB 4.42Å; L683-V695 HydrophobicContact CD1-CG1 3.99Å; L683-V695 HydrophobicContact CD1-CG2 4.29Å; A686-V695 HydrophobicContact CB-CG2 3.76Å; D691-V695 WeakPolarHBondContact O-CG2 3.47Å; D691-V695 PolarHBondContact O-N 3.38Å; R693-V695 VanDerWaalsContact C-N 3.34Å; V695-L697 VanDerWaalsContact C-N 3.3Å; V695-L697 PolarHBondContact O-N 3.27Å; V695-L698 PolarHBondContact O-N 2.51Å; V695-L699 HydrophobicContact CG1-CD1 3.77Å; V695-L699 HydrophobicContact CG1-CG 4.16Å; V695-L699 WeakPolarHBondContact O-CB 3.4Å; V695-L699 VanDerWaalsContact O-CG 3.27Å; V695-L699 WeakPolarHBondContact O-CG 3.27Å; V695-L699 PolarHBondContact O-N 2.91Å; V695-L731 HydrophobicContact CB-CD2 4.05Å; V695-L731 HydrophobicContact CG1-CD2 3.97Å; V695-L731 HydrophobicContact CG2-CD2 4.12Å
696	I	96.7	Very high	93.9	Very high	7 Å²	7	47 Å²	47	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-40.3	178.4	-69.1	165.2	0	0	0	111.2	I627 V635 L692 R693 A700 L734	I627-I696 HydrophobicContact CD1-CD1 3.65Å; I627-I696 HydrophobicContact CG1-CD1 3.79Å; I627-I696 HydrophobicContact CG2-CD1 4.13Å; V635-I696 HydrophobicContact CG1-CG2 4.28Å; V635-I696 HydrophobicContact CG2-CG2 4.32Å; L692-I696 HydrophobicContact CD1-CD1 3.84Å; L692-I696 HydrophobicContact CD1-CG1 4.18Å; L692-I696 HydrophobicContact CG-CD1 3.85Å; L692-I696 WeakPolarHBondContact O-CB 3.25Å; L692-I696 WeakPolarHBondContact O-CD1 3.46Å; L692-I696 WeakPolarHBondContact O-CG1 3.39Å; L692-I696 PolarHBondContact O-N 3.46Å; R693-I696 PolarHBondContact O-N 3.28Å; I696-A700 VanDerWaalsContact O-CB 3.26Å; I696-A700 WeakPolarHBondContact O-CB 3.43Å; I696-A700 PolarHBondContact O-N 3.41Å; I696-L734 HydrophobicContact CG1-CD1 4.15Å
697	L	96.3	Very high	93.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-49.1	175.8	175.4	58.3	0	0	0	112.2	V635 L669 A670 L672 R693 T694 V695 A700 H701	V635-L697 HydrophobicContact CG1-CB 4.35Å; V635-L697 HydrophobicContact CG1-CD1 4.13Å; V635-L697 HydrophobicContact CG2-CB 4.44Å; L669-L697 HydrophobicContact CD1-CD1 4.32Å; A670-L697 HydrophobicContact CB-CD1 3.91Å; A670-L697 WeakPolarHBondContact O-CD1 3.27Å; L672-L697 HydrophobicContact CD2-CG 4.28Å; R693-L697 WeakPolarHBondContact O-CB 3.5Å; R693-L697 PolarHBondContact O-N 2.65Å; T694-L697 PolarHBondContact O-N 2.81Å; V695-L697 VanDerWaalsContact C-N 3.3Å; V695-L697 PolarHBondContact O-N 3.27Å; L697-A700 WeakPolarHBondContact O-CB 3.46Å; L697-A700 PolarHBondContact O-N 3.23Å; L697-H701 PolarHBondContact O-CD2 3.2Å; L697-H701 PolarHBondContact O-N 3.35Å; L697-H701 VanDerWaalsContact O-N 3.11Å
698	L	95.6	Very high	93.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-39.9	-179.2	-70.2	162.8	0	0	0	111.7	L672 L679 Q682 L683 A686 T694 V695 A700 H701 G702	L672-L698 HydrophobicContact CD2-CD2 3.74Å; L679-L698 HydrophobicContact CG-CD2 3.97Å; Q682-L698 HydrophobicContact CB-CD1 3.8Å; Q682-L698 HydrophobicContact CB-CD2 3.76Å; Q682-L698 HydrophobicContact CB-CG 4.48Å; L683-L698 HydrophobicContact CB-CB 4.46Å; L683-L698 HydrophobicContact CB-CD1 4.28Å; L683-L698 HydrophobicContact CD1-CB 4.11Å; A686-L698 HydrophobicContact CB-CD1 4.13Å; T694-L698 HydrophobicContact CG2-CD1 3.7Å; T694-L698 HydrophobicContact CG2-CG 4.33Å; T694-L698 WeakPolarHBondContact O-CB 3.27Å; T694-L698 WeakPolarHBondContact O-CD1 3.25Å; T694-L698 WeakPolarHBondContact O-CG 3.21Å; T694-L698 PolarHBondContact O-N 3.01Å; V695-L698 PolarHBondContact O-N 2.51Å; L698-A700 VanDerWaalsContact C-N 3.31Å; L698-A700 PolarHBondContact O-N 2.97Å; L698-H701 PolarHBondContact O-N 3.04Å; L698-G702 PolarHBondContact O-N 2.85Å
699	L	95.5	Very high	93.5	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-29.9	173.3	-67.6	-178.3	0	0	0	113	L683 V695 V707 L734 L735 Y738	L683-L699 HydrophobicContact CD1-CD2 4Å; L683-L699 HydrophobicContact CD1-CG 4.1Å; L683-L699 HydrophobicContact CD2-CD2 3.88Å; V695-L699 HydrophobicContact CG1-CD1 3.77Å; V695-L699 HydrophobicContact CG1-CG 4.16Å; V695-L699 WeakPolarHBondContact O-CB 3.4Å; V695-L699 VanDerWaalsContact O-CG 3.27Å; V695-L699 WeakPolarHBondContact O-CG 3.27Å; V695-L699 PolarHBondContact O-N 2.91Å; L699-V707 HydrophobicContact CD2-CB 4.17Å; L699-V707 HydrophobicContact CD2-CG1 3.58Å; L699-L734 HydrophobicContact CD1-CB 4.17Å; L699-L735 HydrophobicContact CD1-CD2 4.32Å; L699-L735 HydrophobicContact CD2-CD2 4.1Å; L699-Y738 HydrophobicContact CB-CD1 3.82Å; L699-Y738 HydrophobicContact CB-CD2 4.19Å; L699-Y738 HydrophobicContact CB-CE1 4.13Å; L699-Y738 HydrophobicContact CB-CE2 4.48Å; L699-Y738 HydrophobicContact CB-CG 3.86Å; L699-Y738 HydrophobicContact CD1-CD2 3.94Å; L699-Y738 HydrophobicContact CD1-CG 4.17Å; L699-Y738 HydrophobicContact CD2-CG 4.41Å; L699-Y738 HydrophobicContact CG-CG 4.37Å; L699-Y738 VanDerWaalsContact O-CD1 3.23Å; L699-Y738 WeakPolarHBondContact O-CD1 3.39Å; L699-Y738 WeakPolarHBondContact O-CE1 3.23Å
700	A	94.5	Very high	93.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-72.4	-30	174.7	0	0	0	0	0	112.7	V635 W636 K666 L669 I696 L697 L698	V635-A700 HydrophobicContact CG1-CB 4.44Å; W636-A700 HydrophobicContact CH2-CB 3.73Å; W636-A700 HydrophobicContact CZ2-CB 3.45Å; W636-A700 VanDerWaalsContact CZ2-CB 3.45Å; W636-A700 HydrophobicContact CZ3-CB 4.49Å; K666-A700 WeakPolarHBondContact CD-O 3.4Å; K666-A700 VanDerWaalsContact CE-O 3.23Å; K666-A700 WeakPolarHBondContact CE-O 3.26Å; K666-A700 PolarHBondContact NZ-O 3.5Å; L669-A700 HydrophobicContact CD1-CB 3.59Å; L669-A700 HydrophobicContact CD2-CB 3.9Å; L669-A700 HydrophobicContact CG-CB 4.42Å; I696-A700 VanDerWaalsContact O-CB 3.26Å; I696-A700 WeakPolarHBondContact O-CB 3.43Å; I696-A700 PolarHBondContact O-N 3.41Å; L697-A700 WeakPolarHBondContact O-CB 3.46Å; L697-A700 PolarHBondContact O-N 3.23Å; L698-A700 VanDerWaalsContact C-N 3.31Å; L698-A700 PolarHBondContact O-N 2.97Å
701	H	93.4	Very high	92.3	Very high	61 Å²	61	45 Å²	45	28%	0.282	23%	0.231	S	C	.	.	H	α-helix	trans	-82.4	-50.7	173.5	-80.6	-75.7	0	0	0	112.9	K666 A670 L672 L679 L697 L698	K666-H701 PolarHBondContact NZ-O 3.06Å; A670-H701 PolarHBondContact O-NE2 3.13Å; L672-H701 HydrophobicContact CD1-CB 4.18Å; L672-H701 HydrophobicContact CD2-CB 4.1Å; L672-H701 WeakPolarHBondContact CD2-CD2 3.43Å; L672-H701 HydrophobicContact CG-CB 4.31Å; L679-H701 HydrophobicContact CD1-CB 3.8Å; L697-H701 PolarHBondContact O-CD2 3.2Å; L697-H701 PolarHBondContact O-N 3.35Å; L697-H701 VanDerWaalsContact O-N 3.11Å; L698-H701 PolarHBondContact O-N 3.04Å
702	G	90.9	Very high	91	Very high	14 Å²	14	44.2 Å²	44.2	14%	0.144	24%	0.237	C	C	.	.			trans	-63.3	148.1	-162.3	0	0	0	0	0	116.5	L698	L698-G702 PolarHBondContact O-N 2.85Å
703	S	89.6	Confident	89.4	Confident	55 Å²	55	52.8 Å²	52.8	39%	0.385	28%	0.277	S	S	.	.			trans	-75.8	167.6	164.1	67.5	0	0	0	0	111.8	D705 E706 V707	S703-D705 PolarHBondContact O-N 3.44Å; S703-E706 VanDerWaalsContact CB-OE2 3.25Å; S703-E706 WeakPolarHBondContact CB-OE2 3.39Å; S703-E706 PolarHBondContact N-OE2 3.19Å; S703-E706 PolarHBondContact O-N 3.39Å; S703-E706 WeakPolarHBondContact OG-CG 3.48Å; S703-E706 PolarHBondContact OG-OE2 3.48Å; S703-V707 PolarHBondContact O-N 3.06Å
704	R	87.7	Confident	87.9	Confident	168 Å²	168	52.3 Å²	52.3	63%	0.634	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.8	178.7	-172.2	174.8	179.6	-157.7	-7.1	112.7	V707 N708 G739	R704-V707 VanDerWaalsContact O-CG2 3.31Å; R704-V707 WeakPolarHBondContact O-CG2 3.23Å; R704-N708 PolarHBondContact O-ND2 3.45Å; R704-G739 PolarHBondContact NE-O 2.67Å
705	D	87.4	Confident	87.1	Confident	134 Å²	134	52.3 Å²	52.3	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-40.3	-176.3	-54.3	-37.2	0	0	0	110.8	S703 V707 N708 E709	S703-D705 PolarHBondContact O-N 3.44Å; D705-V707 PolarHBondContact O-N 3.21Å; D705-N708 PolarHBondContact O-N 3.06Å; D705-N708 VanDerWaalsContact O-N 3.13Å; D705-E709 PolarHBondContact O-N 2.97Å
706	E	90.8	Very high	86.6	Confident	76 Å²	76	53 Å²	53	36%	0.355	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-64.7	-38.3	176.5	-66.7	164.5	107	0	0	113	L679 G680 S703 N708 E709	L679-E706 HydrophobicContact CB-CB 4.42Å; L679-E706 HydrophobicContact CD2-CB 3.92Å; G680-E706 VanDerWaalsContact CA-O 3.27Å; G680-E706 WeakPolarHBondContact CA-O 3.28Å; S703-E706 VanDerWaalsContact CB-OE2 3.25Å; S703-E706 WeakPolarHBondContact CB-OE2 3.39Å; S703-E706 PolarHBondContact N-OE2 3.19Å; S703-E706 PolarHBondContact O-N 3.39Å; S703-E706 WeakPolarHBondContact OG-CG 3.48Å; S703-E706 PolarHBondContact OG-OE2 3.48Å; E706-N708 PolarHBondContact O-N 2.88Å; E706-E709 WeakPolarHBondContact O-CB 3.43Å; E706-E709 PolarHBondContact O-N 3.09Å
707	V	92.6	Very high	86.4	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.018	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-70.4	-13.2	176.7	-56.6	0	0	0	0	113.1	L683 L699 S703 R704 D705 V740	L683-V707 HydrophobicContact CD2-CB 3.88Å; L683-V707 HydrophobicContact CD2-CG1 4.01Å; L699-V707 HydrophobicContact CD2-CB 4.17Å; L699-V707 HydrophobicContact CD2-CG1 3.58Å; S703-V707 PolarHBondContact O-N 3.06Å; R704-V707 VanDerWaalsContact O-CG2 3.31Å; R704-V707 WeakPolarHBondContact O-CG2 3.23Å; D705-V707 PolarHBondContact O-N 3.21Å; V707-V740 HydrophobicContact CB-CG2 4Å; V707-V740 HydrophobicContact CG2-CG2 3.88Å; V707-V740 WeakPolarHBondContact O-CG2 3.48Å
708	N	91.9	Very high	86.3	Confident	39 Å²	39	54.6 Å²	54.6	21%	0.209	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-99	5.8	175.8	-79.7	-68	0	0	0	113.7	R704 D705 E706 G739 V740 D741	R704-N708 PolarHBondContact O-ND2 3.45Å; D705-N708 PolarHBondContact O-N 3.06Å; D705-N708 VanDerWaalsContact O-N 3.13Å; E706-N708 PolarHBondContact O-N 2.88Å; N708-G739 PolarHBondContact ND2-O 3.49Å; N708-V740 WeakPolarHBondContact OD1-CA 3.15Å; N708-D741 PolarHBondContact OD1-N 2.63Å
709	E	90.1	Very high	86.3	Confident	57 Å²	57	54.6 Å²	54.6	27%	0.266	31%	0.308	S	S	.	.			trans	-58.2	147.6	173.1	-157.9	-179.1	158.8	0	0	111.3	S678 G680 Q681 D705 E706	S678-E709 WeakPolarHBondContact CB-OE2 3.39Å; S678-E709 PolarHBondContact OG-OE1 3.39Å; S678-E709 VanDerWaalsContact OG-OE1 3.09Å; S678-E709 PolarHBondContact OG-OE2 3Å; G680-E709 VanDerWaalsContact CA-OE2 3.23Å; G680-E709 WeakPolarHBondContact CA-OE2 3.41Å; G680-E709 PolarHBondContact N-OE2 3.24Å; Q681-E709 WeakPolarHBondContact CG-OE1 3.1Å; Q681-E709 PolarHBondContact N-OE2 2.98Å; Q681-E709 PolarHBondContact NE2-OE1 3.34Å; D705-E709 PolarHBondContact O-N 2.97Å; E706-E709 WeakPolarHBondContact O-CB 3.43Å; E706-E709 PolarHBondContact O-N 3.09Å
710	T	88.2	Confident	86.4	Confident	56 Å²	56	54.4 Å²	54.4	34%	0.344	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-109.7	159.8	-176.1	58.1	0	0	0	0	112	G712 G716 R717 T718	T710-G712 PolarHBondContact O-N 3.06Å; T710-G716 VanDerWaalsContact CG2-O 3.25Å; T710-G716 WeakPolarHBondContact CG2-O 3.46Å; T710-R717 CarbonylContact C-O 3.34Å; T710-R717 WeakPolarHBondContact CA-O 3.48Å; T710-T718 HydrophobicContact CG2-CG2 3.83Å
711	C	76.3	Confident	86.4	Confident	61 Å²	61	54.4 Å²	54.4	41%	0.412	31%	0.307	S	S	.	.	S	Bend	trans	-74.1	64.8	-176.3	-157.4	0	0	0	0	113.3	L684 R717	L684-C711 HydrophobicContact CD1-CB 4.4Å; L684-C711 HydrophobicContact CD2-CB 4.46Å; C711-R717 HydrophobicContact CB-CB 4.38Å; C711-R717 PolarHBondContact N-O 3.17Å
712	G	70.3	Confident	86.5	Confident	46 Å²	46	52.4 Å²	52.4	47%	0.474	30%	0.299	S	S	.	.			trans	68.5	169	-178.7	0	0	0	0	0	114.2	T710 G714 D715	T710-G712 PolarHBondContact O-N 3.06Å; G712-G714 PolarHBondContact O-N 3.44Å; G712-D715 PolarHBondContact O-N 3.22Å
713	E	60.9	Low	86.7	Confident	210 Å²	210	51.8 Å²	51.8	98%	0.981	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-11.3	-173.6	-57.5	-168.1	160.1	0	0	114.6
714	G	64.9	Low	87.1	Confident	69 Å²	69	49.1 Å²	49.1	71%	0.711	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-18	-175.4	0	0	0	0	0	116.5	G712	G712-G714 PolarHBondContact O-N 3.44Å
715	D	79.4	Confident	87.4	Confident	33 Å²	33	47.4 Å²	47.4	18%	0.176	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-31.1	-170.7	-165.5	55	0	0	0	113.2	G712 R717 A747	G712-D715 PolarHBondContact O-N 3.22Å; D715-R717 PolarHBondContact O-N 3.13Å; D715-R717 IonicContact OD1-CZ 3.87Å; D715-R717 IonicContact OD1-NE 2.84Å; D715-R717 IonicContact OD1-NH1 3.7Å; D715-R717 PolarHBondContact OD1-NH1 3.48Å; D715-R717 IonicContact OD1-NH2 2.74Å; D715-R717 PolarHBondContact OD1-NH2 3.2Å; D715-R717 WeakPolarHBondContact OD2-CD 3.33Å; D715-R717 WeakPolarHBondContact OD2-CG 3.32Å; D715-R717 IonicContact OD2-CZ 2.67Å; D715-R717 VanDerWaalsContact OD2-CZ 3.29Å; D715-R717 IonicContact OD2-NE 3.83Å; D715-R717 IonicContact OD2-NH1 2.63Å; D715-R717 PolarHBondContact OD2-NH1 3.24Å; D715-A747 WeakPolarHBondContact O-CB 3.19Å; D715-A747 PolarHBondContact O-N 3.25Å
716	G	86.3	Confident	87.7	Confident	15 Å²	15	45.7 Å²	45.7	16%	0.155	25%	0.253	C	S	.	.			trans	66.2	2.9	174.9	0	0	0	0	0	115.8	T710 T718	T710-G716 VanDerWaalsContact CG2-O 3.25Å; T710-G716 WeakPolarHBondContact CG2-O 3.46Å; G716-T718 PolarHBondContact O-N 3.24Å
717	R	91.7	Very high	87.9	Confident	39 Å²	39	43.1 Å²	43.1	15%	0.147	25%	0.247	C	C	.	.			trans	-71.1	122.6	-179.8	-71	-173.2	-173.8	100.9	18.1	111.6	L684 T710 C711 D715 H721 L722 D746 Y755	L684-R717 WeakPolarHBondContact CD2-O 3.39Å; T710-R717 CarbonylContact C-O 3.34Å; T710-R717 WeakPolarHBondContact CA-O 3.48Å; C711-R717 HydrophobicContact CB-CB 4.38Å; C711-R717 PolarHBondContact N-O 3.17Å; D715-R717 PolarHBondContact O-N 3.13Å; D715-R717 IonicContact OD1-CZ 3.87Å; D715-R717 IonicContact OD1-NE 2.84Å; D715-R717 IonicContact OD1-NH1 3.7Å; D715-R717 PolarHBondContact OD1-NH1 3.48Å; D715-R717 IonicContact OD1-NH2 2.74Å; D715-R717 PolarHBondContact OD1-NH2 3.2Å; D715-R717 WeakPolarHBondContact OD2-CD 3.33Å; D715-R717 WeakPolarHBondContact OD2-CG 3.32Å; D715-R717 IonicContact OD2-CZ 2.67Å; D715-R717 VanDerWaalsContact OD2-CZ 3.29Å; D715-R717 IonicContact OD2-NE 3.83Å; D715-R717 IonicContact OD2-NH1 2.63Å; D715-R717 PolarHBondContact OD2-NH1 3.24Å; R717-H721 HydrophobicContact CB-CB 4.04Å; R717-H721 HydrophobicContact CG-CB 4.13Å; R717-L722 HydrophobicContact CB-CD2 4.48Å; R717-D746 HydrophobicContact CG-CB 3.93Å; R717-Y755 VanDerWaalsContact CZ-OH 3.3Å; R717-Y755 PolarHBondContact NE-OH 3.42Å; R717-Y755 PolarHBondContact NH2-OH 2.93Å
718	T	94.3	Very high	88	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.031	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-75.7	167.5	164.5	66.4	0	0	0	0	111.3	T710 G716 L720 H721 L722 A744	T710-T718 HydrophobicContact CG2-CG2 3.83Å; G716-T718 PolarHBondContact O-N 3.24Å; T718-L720 PolarHBondContact O-N 2.61Å; T718-H721 PolarHBondContact N-ND1 3.24Å; T718-H721 WeakPolarHBondContact O-CB 3.32Å; T718-H721 PolarHBondContact O-N 2.81Å; T718-H721 PolarHBondContact OG1-ND1 2.92Å; T718-L722 PolarHBondContact O-N 3.4Å; T718-A744 HydrophobicContact CG2-CB 4.03Å
719	A	95.5	Very high	88.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-55.4	-34.3	176.3	0	0	0	0	0	113.3	L683 L684 T687 H721 L722 A723 L735	L683-A719 HydrophobicContact CD2-CB 4.25Å; L683-A719 HydrophobicContact CG-CB 4.14Å; L684-A719 HydrophobicContact CD2-CB 4.26Å; T687-A719 HydrophobicContact CG2-CB 4.48Å; T687-A719 WeakPolarHBondContact CG2-O 3.35Å; A719-H721 VanDerWaalsContact C-N 3.33Å; A719-H721 PolarHBondContact O-N 2.92Å; A719-L722 WeakPolarHBondContact O-CB 3.43Å; A719-L722 PolarHBondContact O-N 3.34Å; A719-L722 VanDerWaalsContact O-N 3.09Å; A719-A723 PolarHBondContact O-N 3.16Å; A719-L735 HydrophobicContact CB-CD1 4.05Å; A719-L735 HydrophobicContact CB-CD2 3.79Å
720	L	96.6	Very high	88.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-37.1	177.5	-175.9	60.9	0	0	0	112.3	T718 L722 A723 C724 A732 L735 I736 V740 V742 A752 L768	T718-L720 PolarHBondContact O-N 2.61Å; L720-L722 VanDerWaalsContact C-N 3.29Å; L720-L722 PolarHBondContact O-N 3.48Å; L720-A723 PolarHBondContact O-N 3.2Å; L720-C724 WeakPolarHBondContact O-CB 3.47Å; L720-C724 PolarHBondContact O-N 2.93Å; L720-C724 PolarHBondContact O-SG 3.24Å; L720-A732 HydrophobicContact CD1-CB 3.89Å; L720-L735 HydrophobicContact CD1-CB 4.45Å; L720-I736 HydrophobicContact CD1-CD1 4.23Å; L720-I736 HydrophobicContact CD1-CG1 4.06Å; L720-I736 HydrophobicContact CD2-CG1 4.21Å; L720-V740 HydrophobicContact CB-CG1 3.79Å; L720-V740 HydrophobicContact CD2-CG1 4.43Å; L720-V742 HydrophobicContact CD2-CG2 4.28Å; L720-A752 HydrophobicContact CD2-CB 4.12Å; L720-A752 HydrophobicContact CG-CB 3.83Å; L720-L768 HydrophobicContact CD1-CD2 4.39Å; L720-L768 HydrophobicContact CD2-CD2 4.04Å; L720-L768 HydrophobicContact CG-CD2 4.42Å
721	H	95	Very high	88.9	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-37.8	173.8	-66.6	81.6	0	0	0	111.7	R717 T718 A719 R725 A744 N750 A752 Y755	R717-H721 HydrophobicContact CB-CB 4.04Å; R717-H721 HydrophobicContact CG-CB 4.13Å; T718-H721 PolarHBondContact N-ND1 3.24Å; T718-H721 WeakPolarHBondContact O-CB 3.32Å; T718-H721 PolarHBondContact O-N 2.81Å; T718-H721 PolarHBondContact OG1-ND1 2.92Å; A719-H721 VanDerWaalsContact C-N 3.33Å; A719-H721 PolarHBondContact O-N 2.92Å; H721-R725 WeakPolarHBondContact O-CB 3.24Å; H721-R725 PolarHBondContact O-N 3.06Å; H721-A744 PolarHBondContact CE1-O 3.49Å; H721-A744 VanDerWaalsContact CE1-O 3.24Å; H721-A744 PolarHBondContact NE2-O 2.85Å; H721-N750 PolarHBondContact NE2-O 2.57Å; H721-A752 PolarHBondContact NE2-N 2.82Å; H721-Y755 HydrophobicContact CB-CD2 4.29Å; H721-Y755 AromaticContact CD2-CD2 3.66Å; H721-Y755 AromaticContact CD2-CE2 3.72Å
722	L	95.1	Very high	89.8	Confident	20 Å²	20	35.7 Å²	35.7	11%	0.105	20%	0.203	C	C	.	.	H	α-helix	trans	-70.4	-46.7	178.5	-57.6	178.3	0	0	0	111.5	L684 T687 A688 R717 T718 A719 L720 C724 R725 K726	L684-L722 HydrophobicContact CB-CD1 4.22Å; L684-L722 HydrophobicContact CD2-CD1 3.69Å; L684-L722 WeakPolarHBondContact O-CD1 3.27Å; T687-L722 HydrophobicContact CG2-CB 4.07Å; A688-L722 HydrophobicContact CB-CD1 4.4Å; R717-L722 HydrophobicContact CB-CD2 4.48Å; T718-L722 PolarHBondContact O-N 3.4Å; A719-L722 WeakPolarHBondContact O-CB 3.43Å; A719-L722 PolarHBondContact O-N 3.34Å; A719-L722 VanDerWaalsContact O-N 3.09Å; L720-L722 VanDerWaalsContact C-N 3.29Å; L720-L722 PolarHBondContact O-N 3.48Å; L722-C724 PolarHBondContact O-N 2.79Å; L722-R725 PolarHBondContact O-N 3.26Å; L722-K726 PolarHBondContact O-N 3.02Å
723	A	96.8	Very high	91	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-45.7	176	0	0	0	0	0	111.8	T687 A719 L720 R725 K726 G727 N728 L731 A732 L735	T687-A723 HydrophobicContact CG2-CB 3.83Å; A719-A723 PolarHBondContact O-N 3.16Å; L720-A723 PolarHBondContact O-N 3.2Å; A723-R725 PolarHBondContact O-N 3.33Å; A723-K726 PolarHBondContact O-N 3.3Å; A723-G727 PolarHBondContact O-N 3.1Å; A723-G727 VanDerWaalsContact O-N 3.13Å; A723-N728 PolarHBondContact O-N 2.86Å; A723-L731 HydrophobicContact CB-CB 3.93Å; A723-A732 HydrophobicContact CB-CB 4.14Å; A723-L735 HydrophobicContact CB-CD1 3.86Å
724	C	96.3	Very high	92.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-34	177.8	-66.3	0	0	0	0	112.7	L720 L722 K726 G727 A752 A756 A759	L720-C724 WeakPolarHBondContact O-CB 3.47Å; L720-C724 PolarHBondContact O-N 2.93Å; L720-C724 PolarHBondContact O-SG 3.24Å; L722-C724 PolarHBondContact O-N 2.79Å; C724-K726 VanDerWaalsContact C-N 3.3Å; C724-K726 PolarHBondContact O-N 2.72Å; C724-G727 PolarHBondContact O-N 3.08Å; C724-A752 HydrophobicContact CB-CB 4.38Å; C724-A752 WeakPolarHBondContact CB-O 3.45Å; C724-A756 HydrophobicContact CB-CB 4.13Å; C724-A759 WeakPolarHBondContact O-CB 3.44Å
725	R	94.5	Very high	94.2	Very high	131 Å²	131	20.3 Å²	20.3	49%	0.494	10%	0.101	S	C	.	.	H	α-helix	trans	-65.7	-28.4	172.3	-178.6	176.7	173.2	-178.3	-2.5	113.2	H721 L722 A723 Y755	H721-R725 WeakPolarHBondContact O-CB 3.24Å; H721-R725 PolarHBondContact O-N 3.06Å; L722-R725 PolarHBondContact O-N 3.26Å; A723-R725 PolarHBondContact O-N 3.33Å; R725-Y755 HydrophobicContact CB-CD1 3.84Å; R725-Y755 HydrophobicContact CB-CG 4.31Å; R725-Y755 HydrophobicContact CG-CD1 4.02Å
726	K	94.6	Very high	94.9	Very high	98 Å²	98	19.5 Å²	19.5	43%	0.426	10%	0.096	S	C	.	.	H	α-helix	trans	-81	-15.4	170.2	-66	-59.5	-162.6	83.8	0	113.3	A688 E690 L722 A723 C724 N728	A688-K726 VanDerWaalsContact O-CE 3.27Å; A688-K726 WeakPolarHBondContact O-CE 3.35Å; A688-K726 PolarHBondContact O-NZ 2.8Å; E690-K726 HydrophobicContact CG-CB 4.49Å; E690-K726 HydrophobicContact CG-CG 4.04Å; E690-K726 VanDerWaalsContact OE2-CD 3.3Å; E690-K726 WeakPolarHBondContact OE2-CD 3.49Å; E690-K726 WeakPolarHBondContact OE2-CG 3.42Å; E690-K726 IonicContact OE2-NZ 3.09Å; E690-K726 PolarHBondContact OE2-NZ 3.41Å; L722-K726 PolarHBondContact O-N 3.02Å; A723-K726 PolarHBondContact O-N 3.3Å; C724-K726 VanDerWaalsContact C-N 3.3Å; C724-K726 PolarHBondContact O-N 2.72Å; K726-N728 HydrophobicContact CB-CB 4.15Å
727	G	94.4	Very high	95.3	Very high	22 Å²	22	19.4 Å²	19.4	23%	0.227	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	17.2	-168.1	0	0	0	0	0	113.4	A723 C724 V729 S761	A723-G727 PolarHBondContact O-N 3.1Å; A723-G727 VanDerWaalsContact O-N 3.13Å; C724-G727 PolarHBondContact O-N 3.08Å; G727-V729 PolarHBondContact O-N 3.13Å; G727-V729 VanDerWaalsContact O-N 3.09Å; G727-S761 PolarHBondContact O-OG 2.78Å
728	N	95.4	Very high	95.4	Very high	36 Å²	36	20 Å²	20	19%	0.193	9%	0.094	C	C	.	.			trans	-84.7	87.3	-174.7	-167	-40.2	0	0	0	110.9	E690 A723 K726 V730 L731 A732	E690-N728 WeakPolarHBondContact OE1-CB 3.28Å; E690-N728 PolarHBondContact OE1-ND2 2.94Å; A723-N728 PolarHBondContact O-N 2.86Å; K726-N728 HydrophobicContact CB-CB 4.15Å; N728-V730 PolarHBondContact O-N 2.98Å; N728-V730 PolarHBondContact OD1-N 3.44Å; N728-L731 HydrophobicContact CB-CB 4.4Å; N728-L731 HydrophobicContact CB-CD1 4.3Å; N728-L731 HydrophobicContact CB-CG 4.44Å; N728-L731 PolarHBondContact O-N 2.73Å; N728-L731 WeakPolarHBondContact OD1-CG 3.45Å; N728-L731 PolarHBondContact OD1-N 2.89Å; N728-A732 WeakPolarHBondContact O-CB 3.48Å; N728-A732 PolarHBondContact O-N 2.88Å
729	V	95.1	Very high	95.2	Very high	9 Å²	9	20.9 Å²	20.9	6%	0.055	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-26.6	-178.9	68.4	0	0	0	0	113.3	K622 G727 Q733 E763 C764 V767	K622-V729 HydrophobicContact CD-CG1 3.59Å; G727-V729 PolarHBondContact O-N 3.13Å; G727-V729 VanDerWaalsContact O-N 3.09Å; V729-Q733 WeakPolarHBondContact O-CB 3.49Å; V729-Q733 PolarHBondContact O-N 3.08Å; V729-E763 HydrophobicContact CB-CB 4.18Å; V729-E763 HydrophobicContact CG1-CB 4.37Å; V729-E763 HydrophobicContact CG2-CB 3.96Å; V729-C764 VanDerWaalsContact CA-SG 3.58Å; V729-V767 HydrophobicContact CG2-CG2 3.78Å
730	V	96.3	Very high	95.1	Very high	12 Å²	12	21.1 Å²	21.1	7%	0.073	11%	0.105	C	C	.	.	H	α-helix	trans	-69.9	-50.3	178.6	175	0	0	0	0	110.4	K622 V623 L692 N728 Q733 L734	K622-V730 HydrophobicContact CB-CG2 4.01Å; V623-V730 HydrophobicContact CG2-CB 4.47Å; V623-V730 HydrophobicContact CG2-CG1 4.21Å; V623-V730 HydrophobicContact CG2-CG2 4.41Å; L692-V730 HydrophobicContact CD1-CG1 3.98Å; L692-V730 HydrophobicContact CD2-CG1 4.48Å; N728-V730 PolarHBondContact O-N 2.98Å; N728-V730 PolarHBondContact OD1-N 3.44Å; V730-Q733 PolarHBondContact O-N 3Å; V730-L734 HydrophobicContact CG1-CD1 4.2Å; V730-L734 VanDerWaalsContact O-CG 3.32Å; V730-L734 WeakPolarHBondContact O-CG 3.2Å; V730-L734 PolarHBondContact O-N 2.85Å
731	L	97.1	Very high	94.9	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-64.3	-44.3	176.2	-62.5	178.7	0	0	0	111	T687 E690 L692 V695 A723 N728 Q733 L734 L735	T687-L731 HydrophobicContact CG2-CD1 4.38Å; E690-L731 HydrophobicContact CB-CD1 4.18Å; E690-L731 HydrophobicContact CG-CD1 4.11Å; L692-L731 HydrophobicContact CD1-CD2 3.69Å; V695-L731 HydrophobicContact CB-CD2 4.05Å; V695-L731 HydrophobicContact CG1-CD2 3.97Å; V695-L731 HydrophobicContact CG2-CD2 4.12Å; A723-L731 HydrophobicContact CB-CB 3.93Å; N728-L731 HydrophobicContact CB-CB 4.4Å; N728-L731 HydrophobicContact CB-CD1 4.3Å; N728-L731 HydrophobicContact CB-CG 4.44Å; N728-L731 PolarHBondContact O-N 2.73Å; N728-L731 WeakPolarHBondContact OD1-CG 3.45Å; N728-L731 PolarHBondContact OD1-N 2.89Å; L731-Q733 VanDerWaalsContact C-N 3.35Å; L731-Q733 PolarHBondContact O-N 2.94Å; L731-L734 PolarHBondContact O-N 2.79Å; L731-L735 WeakPolarHBondContact O-CB 3.42Å; L731-L735 WeakPolarHBondContact O-CD1 3.4Å; L731-L735 WeakPolarHBondContact O-CG 3.3Å; L731-L735 PolarHBondContact O-N 3.04Å
732	A	96.4	Very high	94.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-45.3	176.3	0	0	0	0	0	112	L720 A723 N728 L735 I736	L720-A732 HydrophobicContact CD1-CB 3.89Å; A723-A732 HydrophobicContact CB-CB 4.14Å; N728-A732 WeakPolarHBondContact O-CB 3.48Å; N728-A732 PolarHBondContact O-N 2.88Å; A732-L735 PolarHBondContact O-N 3.48Å; A732-I736 WeakPolarHBondContact O-CD1 3.24Å; A732-I736 VanDerWaalsContact O-CG1 3.23Å; A732-I736 WeakPolarHBondContact O-CG1 3.47Å; A732-I736 PolarHBondContact O-N 2.89Å; A732-I736 VanDerWaalsContact O-N 3.12Å
733	Q	95.4	Very high	94.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-37.3	-179	-175.8	61.3	103.5	0	0	112.6	V623 V729 V730 L731 W737	V623-Q733 HydrophobicContact CG2-CB 4.1Å; V623-Q733 HydrophobicContact CG2-CG 4.1Å; V729-Q733 WeakPolarHBondContact O-CB 3.49Å; V729-Q733 PolarHBondContact O-N 3.08Å; V730-Q733 PolarHBondContact O-N 3Å; L731-Q733 VanDerWaalsContact C-N 3.35Å; L731-Q733 PolarHBondContact O-N 2.94Å; Q733-W737 HydrophobicContact CG-CD2 4.14Å; Q733-W737 HydrophobicContact CG-CE3 4.31Å; Q733-W737 HydrophobicContact CG-CH2 3.61Å; Q733-W737 HydrophobicContact CG-CZ2 3.39Å; Q733-W737 HydrophobicContact CG-CZ3 4.07Å; Q733-W737 VanDerWaalsContact O-CG 3.3Å; Q733-W737 PolarHBondContact O-N 2.87Å
734	L	95.8	Very high	94.4	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-51	172.8	-70.9	168.4	0	0	0	111.3	V623 I627 L692 I696 L699 V730 L731 I736 W737 Y738	V623-L734 HydrophobicContact CG1-CD2 4.17Å; V623-L734 HydrophobicContact CG1-CG 4.5Å; I627-L734 HydrophobicContact CD1-CD1 4.28Å; I627-L734 HydrophobicContact CD1-CD2 4.28Å; L692-L734 HydrophobicContact CD1-CD1 3.65Å; I696-L734 HydrophobicContact CG1-CD1 4.15Å; L699-L734 HydrophobicContact CD1-CB 4.17Å; V730-L734 HydrophobicContact CG1-CD1 4.2Å; V730-L734 VanDerWaalsContact O-CG 3.32Å; V730-L734 WeakPolarHBondContact O-CG 3.2Å; V730-L734 PolarHBondContact O-N 2.85Å; L731-L734 PolarHBondContact O-N 2.79Å; L734-I736 VanDerWaalsContact C-N 3.27Å; L734-I736 PolarHBondContact O-N 3.39Å; L734-W737 HydrophobicContact CD2-CE3 4.25Å; L734-W737 HydrophobicContact CD2-CZ3 4.47Å; L734-W737 WeakPolarHBondContact O-CA 3.46Å; L734-W737 WeakPolarHBondContact O-CB 3.26Å; L734-W737 PolarHBondContact O-N 2.86Å; L734-Y738 WeakPolarHBondContact O-CD2 3.27Å; L734-Y738 PolarHBondContact O-N 3.45Å
735	L	96.1	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-54	-43.6	179.8	-71.4	163.3	0	0	0	112	L683 T687 L699 A719 L720 A723 L731 A732 W737 Y738 G739 V740	L683-L735 HydrophobicContact CD1-CD2 4.32Å; L683-L735 HydrophobicContact CD2-CD2 4.13Å; L683-L735 HydrophobicContact CG-CD2 4.45Å; T687-L735 HydrophobicContact CG2-CD1 4.2Å; L699-L735 HydrophobicContact CD1-CD2 4.32Å; L699-L735 HydrophobicContact CD2-CD2 4.1Å; A719-L735 HydrophobicContact CB-CD1 4.05Å; A719-L735 HydrophobicContact CB-CD2 3.79Å; L720-L735 HydrophobicContact CD1-CB 4.45Å; A723-L735 HydrophobicContact CB-CD1 3.86Å; L731-L735 WeakPolarHBondContact O-CB 3.42Å; L731-L735 WeakPolarHBondContact O-CD1 3.4Å; L731-L735 WeakPolarHBondContact O-CG 3.3Å; L731-L735 PolarHBondContact O-N 3.04Å; A732-L735 PolarHBondContact O-N 3.48Å; L735-W737 VanDerWaalsContact C-N 3.33Å; L735-W737 PolarHBondContact O-N 3.49Å; L735-Y738 PolarHBondContact O-N 3.27Å; L735-G739 PolarHBondContact O-N 2.65Å; L735-V740 HydrophobicContact CB-CB 4.28Å; L735-V740 HydrophobicContact CB-CG2 3.95Å; L735-V740 HydrophobicContact CD2-CG2 3.93Å; L735-V740 WeakPolarHBondContact O-CB 3.3Å; L735-V740 WeakPolarHBondContact O-CG2 3.38Å; L735-V740 PolarHBondContact O-N 3.03Å; L735-V740 VanDerWaalsContact O-N 3.13Å
736	I	94.9	Very high	94	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.077	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-37.7	174.8	-67	167.3	0	0	0	111.9	L720 A732 L734 G739 V742 V767 L768 Y771	L720-I736 HydrophobicContact CD1-CD1 4.23Å; L720-I736 HydrophobicContact CD1-CG1 4.06Å; L720-I736 HydrophobicContact CD2-CG1 4.21Å; A732-I736 WeakPolarHBondContact O-CD1 3.24Å; A732-I736 VanDerWaalsContact O-CG1 3.23Å; A732-I736 WeakPolarHBondContact O-CG1 3.47Å; A732-I736 PolarHBondContact O-N 2.89Å; A732-I736 VanDerWaalsContact O-N 3.12Å; L734-I736 VanDerWaalsContact C-N 3.27Å; L734-I736 PolarHBondContact O-N 3.39Å; I736-G739 PolarHBondContact O-N 3.03Å; I736-V742 HydrophobicContact CD1-CG2 4.47Å; I736-V742 HydrophobicContact CG1-CG2 3.95Å; I736-V742 HydrophobicContact CG2-CG2 4.28Å; I736-V767 HydrophobicContact CD1-CG1 3.65Å; I736-L768 HydrophobicContact CD1-CD2 4.21Å; I736-Y771 HydrophobicContact CD1-CD2 4.3Å; I736-Y771 HydrophobicContact CG2-CD1 3.61Å; I736-Y771 HydrophobicContact CG2-CD2 3.83Å; I736-Y771 HydrophobicContact CG2-CE1 3.91Å; I736-Y771 HydrophobicContact CG2-CE2 4.15Å; I736-Y771 HydrophobicContact CG2-CG 3.58Å
737	W	93.5	Very high	93.7	Very high	14 Å²	14	26.8 Å²	26.8	5%	0.053	15%	0.152	C	C	.	.	H	α-helix	trans	-74.1	-26.4	179.6	-70.3	-13.2	0	0	0	114.5	L584 N585 R607 L620 V623 Q733 L734 L735 Y771	L584-W737 VanDerWaalsContact C-CZ3 3.47Å; L584-W737 HydrophobicContact CB-CH2 3.69Å; L584-W737 HydrophobicContact CB-CZ2 4.3Å; L584-W737 HydrophobicContact CB-CZ3 3.85Å; L584-W737 VanDerWaalsContact O-CZ3 3.29Å; L584-W737 WeakPolarHBondContact O-CZ3 3.44Å; N585-W737 HydrophobicContact CB-CB 4.26Å; N585-W737 HydrophobicContact CB-CD2 4.38Å; N585-W737 HydrophobicContact CB-CE3 3.83Å; R607-W737 PolarHBondContact NH2-O 2.95Å; L620-W737 HydrophobicContact CD2-CH2 3.74Å; L620-W737 HydrophobicContact CD2-CZ2 3.53Å; V623-W737 HydrophobicContact CG1-CZ3 4.07Å; V623-W737 HydrophobicContact CG2-CH2 4.37Å; V623-W737 HydrophobicContact CG2-CZ3 4.39Å; Q733-W737 HydrophobicContact CG-CD2 4.14Å; Q733-W737 HydrophobicContact CG-CE3 4.31Å; Q733-W737 HydrophobicContact CG-CH2 3.61Å; Q733-W737 HydrophobicContact CG-CZ2 3.39Å; Q733-W737 HydrophobicContact CG-CZ3 4.07Å; Q733-W737 VanDerWaalsContact O-CG 3.3Å; Q733-W737 PolarHBondContact O-N 2.87Å; L734-W737 HydrophobicContact CD2-CE3 4.25Å; L734-W737 HydrophobicContact CD2-CZ3 4.47Å; L734-W737 WeakPolarHBondContact O-CA 3.46Å; L734-W737 WeakPolarHBondContact O-CB 3.26Å; L734-W737 PolarHBondContact O-N 2.86Å; L735-W737 VanDerWaalsContact C-N 3.33Å; L735-W737 PolarHBondContact O-N 3.49Å; W737-Y771 AromaticContact NE1-CZ 3.8Å; W737-Y771 PolarHBondContact NE1-OH 3.04Å
738	Y	93.8	Very high	93.4	Very high	52 Å²	52	29.8 Å²	29.8	20%	0.204	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	7.5	174.6	-74.3	-99.4	0	0	0	113.2	N585 L699 L734 L735	N585-Y738 HydrophobicContact CB-CE2 4.19Å; N585-Y738 WeakPolarHBondContact O-CE2 3.4Å; N585-Y738 PolarHBondContact O-OH 3Å; L699-Y738 HydrophobicContact CB-CD1 3.82Å; L699-Y738 HydrophobicContact CB-CD2 4.19Å; L699-Y738 HydrophobicContact CB-CE1 4.13Å; L699-Y738 HydrophobicContact CB-CE2 4.48Å; L699-Y738 HydrophobicContact CB-CG 3.86Å; L699-Y738 HydrophobicContact CD1-CD2 3.94Å; L699-Y738 HydrophobicContact CD1-CG 4.17Å; L699-Y738 HydrophobicContact CD2-CG 4.41Å; L699-Y738 HydrophobicContact CG-CG 4.37Å; L699-Y738 VanDerWaalsContact O-CD1 3.23Å; L699-Y738 WeakPolarHBondContact O-CD1 3.39Å; L699-Y738 WeakPolarHBondContact O-CE1 3.23Å; L734-Y738 WeakPolarHBondContact O-CD2 3.27Å; L734-Y738 PolarHBondContact O-N 3.45Å; L735-Y738 PolarHBondContact O-N 3.27Å
739	G	90.8	Very high	93	Very high	22 Å²	22	29.6 Å²	29.6	23%	0.227	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	18.6	164.6	0	0	0	0	0	116.4	R704 N708 L735 I736	R704-G739 PolarHBondContact NE-O 2.67Å; N708-G739 PolarHBondContact ND2-O 3.49Å; L735-G739 PolarHBondContact O-N 2.65Å; I736-G739 PolarHBondContact O-N 3.03Å
740	V	93.3	Very high	92.7	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.036	17%	0.169	C	C	.	.			trans	-62.5	137.2	168.1	-178.7	0	0	0	0	110.1	V707 N708 L720 L735 V742	V707-V740 HydrophobicContact CB-CG2 4Å; V707-V740 HydrophobicContact CG2-CG2 3.88Å; V707-V740 WeakPolarHBondContact O-CG2 3.48Å; N708-V740 WeakPolarHBondContact OD1-CA 3.15Å; L720-V740 HydrophobicContact CB-CG1 3.79Å; L720-V740 HydrophobicContact CD2-CG1 4.43Å; L735-V740 HydrophobicContact CB-CB 4.28Å; L735-V740 HydrophobicContact CB-CG2 3.95Å; L735-V740 HydrophobicContact CD2-CG2 3.93Å; L735-V740 WeakPolarHBondContact O-CB 3.3Å; L735-V740 WeakPolarHBondContact O-CG2 3.38Å; L735-V740 PolarHBondContact O-N 3.03Å; L735-V740 VanDerWaalsContact O-N 3.13Å; V740-V742 PolarHBondContact O-N 2.74Å
741	D	92.2	Very high	92.6	Very high	65 Å²	65	30 Å²	30	35%	0.348	17%	0.168	S	C	.	.			trans	-69.3	123	179.4	-179.3	24.1	0	0	0	111.5	N708 M743 A744	N708-D741 PolarHBondContact OD1-N 2.63Å; D741-M743 VanDerWaalsContact C-N 3.33Å; D741-M743 WeakPolarHBondContact OD1-CB 3.35Å; D741-M743 PolarHBondContact OD1-N 2.77Å; D741-A744 HydrophobicContact CB-CB 4.12Å; D741-A744 WeakPolarHBondContact OD2-CA 3.38Å; D741-A744 PolarHBondContact OD2-N 2.79Å
742	V	94.7	Very high	92.5	Very high	14 Å²	14	30 Å²	30	9%	0.085	17%	0.168	C	C	.	.	S	Bend	trans	-80.8	-18	179.1	179.9	0	0	0	0	111.4	L720 I736 V740 L768 C773	L720-V742 HydrophobicContact CD2-CG2 4.28Å; I736-V742 HydrophobicContact CD1-CG2 4.47Å; I736-V742 HydrophobicContact CG1-CG2 3.95Å; I736-V742 HydrophobicContact CG2-CG2 4.28Å; V740-V742 PolarHBondContact O-N 2.74Å; V742-L768 HydrophobicContact CG1-CD2 4.06Å; V742-C773 HydrophobicContact CG1-CB 3.6Å; V742-C773 PolarHBondContact O-SG 2.88Å
743	M	91.7	Very high	92.4	Very high	84 Å²	84	30 Å²	30	41%	0.414	17%	0.168	S	C	.	.	S	Bend	trans	-97.4	-7.3	-179.3	-46.5	-47.4	157.7	0	0	113	D741 G772	D741-M743 VanDerWaalsContact C-N 3.33Å; D741-M743 WeakPolarHBondContact OD1-CB 3.35Å; D741-M743 PolarHBondContact OD1-N 2.77Å; M743-G772 WeakPolarHBondContact CE-O 3.5Å
744	A	91.1	Very high	92.2	Very high	16 Å²	16	30.9 Å²	30.9	13%	0.132	18%	0.175	C	C	.	.			trans	-53.2	141.3	177.9	0	0	0	0	0	111.1	T718 H721 D741	T718-A744 HydrophobicContact CG2-CB 4.03Å; H721-A744 PolarHBondContact CE1-O 3.49Å; H721-A744 VanDerWaalsContact CE1-O 3.24Å; H721-A744 PolarHBondContact NE2-O 2.85Å; D741-A744 HydrophobicContact CB-CB 4.12Å; D741-A744 WeakPolarHBondContact OD2-CA 3.38Å; D741-A744 PolarHBondContact OD2-N 2.79Å
745	R	91.1	Very high	92.1	Very high	115 Å²	115	31.1 Å²	31.1	43%	0.434	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-117.7	143.3	176.1	-66.5	178.7	-173.6	-101.3	4.4	110.1	G749 N750 T751 E776	R745-G749 WeakPolarHBondContact CD-O 3.4Å; R745-G749 PolarHBondContact NH1-O 2.89Å; R745-N750 CarbonylContact C-O 3.51Å; R745-N750 VanDerWaalsContact CA-O 3.3Å; R745-N750 WeakPolarHBondContact CA-O 3.49Å; R745-T751 HydrophobicContact CG-CG2 3.97Å; R745-E776 IonicContact CZ-OE1 3.34Å; R745-E776 IonicContact CZ-OE2 3.93Å; R745-E776 IonicContact NH1-OE1 2.8Å; R745-E776 IonicContact NH1-OE2 2.73Å; R745-E776 PolarHBondContact NH1-OE2 2.88Å; R745-E776 IonicContact NH2-OE1 2.61Å; R745-E776 PolarHBondContact NH2-OE1 2.58Å; R745-E776 IonicContact NH2-OE2 2.96Å; R745-E776 PolarHBondContact NH2-OE2 3.02Å
746	D	90.2	Very high	92	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.043	18%	0.176	C	C	.	.			trans	-70.2	175.6	169.6	75.7	8.4	0	0	0	112.1	R717 H748 G749 N750 Y755	R717-D746 HydrophobicContact CG-CB 3.93Å; D746-H748 PolarHBondContact O-N 3Å; D746-H748 WeakPolarHBondContact OD1-CA 3.45Å; D746-H748 WeakPolarHBondContact OD1-CB 3.37Å; D746-H748 PolarHBondContact OD1-N 2.7Å; D746-H748 IonicContact OD1-ND1 2.79Å; D746-G749 PolarHBondContact O-N 3.03Å; D746-G749 PolarHBondContact OD1-N 3.49Å; D746-G749 VanDerWaalsContact OD1-N 3.1Å; D746-N750 PolarHBondContact N-O 3.44Å; D746-N750 PolarHBondContact OD1-N 3.05Å; D746-N750 PolarHBondContact OD1-ND2 3.41Å; D746-N750 VanDerWaalsContact OD1-ND2 3.12Å; D746-N750 PolarHBondContact OD2-ND2 3.09Å; D746-Y755 VanDerWaalsContact OD2-CE2 3.3Å; D746-Y755 WeakPolarHBondContact OD2-CE2 3.35Å; D746-Y755 VanDerWaalsContact OD2-CZ 3.31Å; D746-Y755 PolarHBondContact OD2-OH 2.91Å
747	A	89.1	Confident	91.9	Very high	67 Å²	67	34.3 Å²	34.3	55%	0.554	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-6.8	-179.7	0	0	0	0	0	114.6	D715	D715-A747 WeakPolarHBondContact O-CB 3.19Å; D715-A747 PolarHBondContact O-N 3.25Å
748	H	86.8	Confident	91.8	Very high	85 Å²	85	38.9 Å²	38.9	39%	0.394	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	4.2	177.4	-50.7	73.3	0	0	0	111.9	D746 N750 T783	D746-H748 PolarHBondContact O-N 3Å; D746-H748 WeakPolarHBondContact OD1-CA 3.45Å; D746-H748 WeakPolarHBondContact OD1-CB 3.37Å; D746-H748 PolarHBondContact OD1-N 2.7Å; D746-H748 IonicContact OD1-ND1 2.79Å; H748-N750 WeakPolarHBondContact CB-ND2 3.43Å; H748-T783 WeakPolarHBondContact NE2-CG2 3.21Å
749	G	87.8	Confident	91.7	Very high	31 Å²	31	38.3 Å²	38.3	32%	0.32	22%	0.215	S	C	.	.	S	Bend	trans	84.6	3.9	180	0	0	0	0	0	115.3	R745 D746	R745-G749 WeakPolarHBondContact CD-O 3.4Å; R745-G749 PolarHBondContact NH1-O 2.89Å; D746-G749 PolarHBondContact O-N 3.03Å; D746-G749 PolarHBondContact OD1-N 3.49Å; D746-G749 VanDerWaalsContact OD1-N 3.1Å
750	N	89.8	Confident	91.8	Very high	25 Å²	25	42.3 Å²	42.3	13%	0.134	24%	0.239	C	C	.	.			trans	-81	138.9	-177.8	-47.9	-63.4	0	0	0	111	H721 R745 D746 H748 A754 Y755 L780	H721-N750 PolarHBondContact NE2-O 2.57Å; R745-N750 CarbonylContact C-O 3.51Å; R745-N750 VanDerWaalsContact CA-O 3.3Å; R745-N750 WeakPolarHBondContact CA-O 3.49Å; D746-N750 PolarHBondContact N-O 3.44Å; D746-N750 PolarHBondContact OD1-N 3.05Å; D746-N750 PolarHBondContact OD1-ND2 3.41Å; D746-N750 VanDerWaalsContact OD1-ND2 3.12Å; D746-N750 PolarHBondContact OD2-ND2 3.09Å; H748-N750 WeakPolarHBondContact CB-ND2 3.43Å; N750-A754 HydrophobicContact CB-CB 4.24Å; N750-Y755 HydrophobicContact CB-CE2 3.93Å; N750-L780 HydrophobicContact CB-CD2 3.94Å; N750-L780 VanDerWaalsContact CG-CD2 3.41Å; N750-L780 WeakPolarHBondContact OD1-CD2 3.37Å
751	T	93.3	Very high	91.8	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.037	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-88.2	166.9	170.8	62.1	0	0	0	0	111.9	R745 L753 A754 P774	R745-T751 HydrophobicContact CG-CG2 3.97Å; T751-L753 PolarHBondContact O-N 3.18Å; T751-L753 VanDerWaalsContact O-N 3.11Å; T751-A754 WeakPolarHBondContact O-CB 2.97Å; T751-A754 PolarHBondContact O-N 2.9Å; T751-P774 HydrophobicContact CG2-CG 4.36Å
752	A	94.4	Very high	91.8	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-53.8	-29.9	172.3	0	0	0	0	0	113.5	L720 H721 C724 A754 Y755 A756 L768	L720-A752 HydrophobicContact CD2-CB 4.12Å; L720-A752 HydrophobicContact CG-CB 3.83Å; H721-A752 PolarHBondContact NE2-N 2.82Å; C724-A752 HydrophobicContact CB-CB 4.38Å; C724-A752 WeakPolarHBondContact CB-O 3.45Å; A752-A754 VanDerWaalsContact C-N 3.33Å; A752-A754 PolarHBondContact O-N 3.24Å; A752-Y755 PolarHBondContact O-N 3.35Å; A752-A756 PolarHBondContact O-N 3.37Å; A752-L768 HydrophobicContact CB-CD1 3.99Å; A752-L768 HydrophobicContact CB-CD2 4.09Å
753	L	94	Very high	91.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-34.4	177.7	-176.5	65.5	0	0	0	112.4	T751 Y755 A756 R757 I765 L768 L769 C773 P774	T751-L753 PolarHBondContact O-N 3.18Å; T751-L753 VanDerWaalsContact O-N 3.11Å; L753-Y755 VanDerWaalsContact C-N 3.32Å; L753-A756 PolarHBondContact O-N 3.05Å; L753-R757 WeakPolarHBondContact O-CB 3.4Å; L753-R757 VanDerWaalsContact O-CG 3.28Å; L753-R757 WeakPolarHBondContact O-CG 3.45Å; L753-R757 PolarHBondContact O-N 3.17Å; L753-I765 HydrophobicContact CD1-CB 4.18Å; L753-I765 HydrophobicContact CD1-CG1 4.04Å; L753-I765 HydrophobicContact CD1-CG2 4.07Å; L753-L768 HydrophobicContact CB-CD1 4.07Å; L753-L768 HydrophobicContact CD1-CB 4.14Å; L753-L768 HydrophobicContact CD1-CD1 4.24Å; L753-L769 HydrophobicContact CD1-CG 4.32Å; L753-L769 HydrophobicContact CD2-CD2 3.93Å; L753-C773 HydrophobicContact CB-CB 4.5Å; L753-P774 WeakPolarHBondContact CD2-O 3.3Å
754	A	92.1	Very high	91.7	Very high	18 Å²	18	42.9 Å²	42.9	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-35.9	174.9	0	0	0	0	0	111.5	N750 T751 A752 Q758 L780	N750-A754 HydrophobicContact CB-CB 4.24Å; T751-A754 WeakPolarHBondContact O-CB 2.97Å; T751-A754 PolarHBondContact O-N 2.9Å; A752-A754 VanDerWaalsContact C-N 3.33Å; A752-A754 PolarHBondContact O-N 3.24Å; A754-Q758 PolarHBondContact O-N 3.35Å; A754-L780 HydrophobicContact CB-CD2 3.67Å
755	Y	92.9	Very high	91.8	Very high	8 Å²	8	43 Å²	43	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-39.7	173.2	-73.7	-80.4	0	0	0	113	R717 H721 R725 D746 N750 A752 L753 R757 Q758 A759	R717-Y755 VanDerWaalsContact CZ-OH 3.3Å; R717-Y755 PolarHBondContact NE-OH 3.42Å; R717-Y755 PolarHBondContact NH2-OH 2.93Å; H721-Y755 HydrophobicContact CB-CD2 4.29Å; H721-Y755 AromaticContact CD2-CD2 3.66Å; H721-Y755 AromaticContact CD2-CE2 3.72Å; R725-Y755 HydrophobicContact CB-CD1 3.84Å; R725-Y755 HydrophobicContact CB-CG 4.31Å; R725-Y755 HydrophobicContact CG-CD1 4.02Å; D746-Y755 VanDerWaalsContact OD2-CE2 3.3Å; D746-Y755 WeakPolarHBondContact OD2-CE2 3.35Å; D746-Y755 VanDerWaalsContact OD2-CZ 3.31Å; D746-Y755 PolarHBondContact OD2-OH 2.91Å; N750-Y755 HydrophobicContact CB-CE2 3.93Å; A752-Y755 PolarHBondContact O-N 3.35Å; L753-Y755 VanDerWaalsContact C-N 3.32Å; Y755-R757 VanDerWaalsContact C-N 3.27Å; Y755-R757 PolarHBondContact O-N 3.03Å; Y755-Q758 WeakPolarHBondContact O-CB 3.41Å; Y755-Q758 PolarHBondContact O-N 2.88Å; Y755-A759 WeakPolarHBondContact O-CB 3.33Å; Y755-A759 PolarHBondContact O-N 3.31Å
756	A	94.8	Very high	91.8	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-39.4	173.1	0	0	0	0	0	111.9	C724 A752 L753 A759 S760 S761 C764 I765 L768	C724-A756 HydrophobicContact CB-CB 4.13Å; A752-A756 PolarHBondContact O-N 3.37Å; L753-A756 PolarHBondContact O-N 3.05Å; A756-A759 PolarHBondContact O-N 2.87Å; A756-S760 PolarHBondContact O-N 3.35Å; A756-S760 VanDerWaalsContact O-N 3.13Å; A756-S761 PolarHBondContact O-N 2.92Å; A756-S761 VanDerWaalsContact O-N 3.09Å; A756-C764 HydrophobicContact CB-CB 3.66Å; A756-I765 HydrophobicContact CB-CG1 3.88Å; A756-L768 HydrophobicContact CB-CD1 4Å
757	R	92.7	Very high	91.9	Very high	81 Å²	81	40.7 Å²	40.7	31%	0.306	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-43.1	172.3	-73.6	168.9	174.6	-177.4	-6.3	112.6	L753 Y755 A759 S760 I765 D775 E776	L753-R757 WeakPolarHBondContact O-CB 3.4Å; L753-R757 VanDerWaalsContact O-CG 3.28Å; L753-R757 WeakPolarHBondContact O-CG 3.45Å; L753-R757 PolarHBondContact O-N 3.17Å; Y755-R757 VanDerWaalsContact C-N 3.27Å; Y755-R757 PolarHBondContact O-N 3.03Å; R757-A759 VanDerWaalsContact C-N 3.32Å; R757-A759 PolarHBondContact O-N 3.31Å; R757-S760 PolarHBondContact O-N 3.11Å; R757-I765 HydrophobicContact CG-CD1 3.68Å; R757-I765 HydrophobicContact CG-CG1 4Å; R757-D775 IonicContact CZ-OD1 2.74Å; R757-D775 IonicContact NH1-OD1 3.99Å; R757-D775 PolarHBondContact NH1-OD1 3.33Å; R757-D775 IonicContact NH2-OD1 3.76Å; R757-D775 PolarHBondContact NH2-OD1 3.04Å; R757-E776 PolarHBondContact NH1-O 3.04Å; R757-E776 VanDerWaalsContact NH1-O 3.13Å
758	Q	90.9	Very high	92.1	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-40.7	174.4	-169.9	-177	23.8	0	0	112	A754 Y755 S760 L780	A754-Q758 PolarHBondContact O-N 3.35Å; Y755-Q758 WeakPolarHBondContact O-CB 3.41Å; Y755-Q758 PolarHBondContact O-N 2.88Å; Q758-S760 PolarHBondContact O-N 3.39Å; Q758-L780 HydrophobicContact CB-CD1 4.08Å; Q758-L780 HydrophobicContact CG-CD1 4.12Å
759	A	92.6	Very high	92.3	Very high	40 Å²	40	36.9 Å²	36.9	33%	0.331	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.3	175.2	0	0	0	0	0	113.8	C724 Y755 A756 R757 S761	C724-A759 WeakPolarHBondContact O-CB 3.44Å; Y755-A759 WeakPolarHBondContact O-CB 3.33Å; Y755-A759 PolarHBondContact O-N 3.31Å; A756-A759 PolarHBondContact O-N 2.87Å; R757-A759 VanDerWaalsContact C-N 3.32Å; R757-A759 PolarHBondContact O-N 3.31Å; A759-S761 PolarHBondContact O-N 2.93Å
760	S	93.3	Very high	92.5	Very high	105 Å²	105	41.7 Å²	41.7	73%	0.734	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	26.7	-172.5	-55.5	0	0	0	0	114.1	A756 R757 Q758 Q762	A756-S760 PolarHBondContact O-N 3.35Å; A756-S760 VanDerWaalsContact O-N 3.13Å; R757-S760 PolarHBondContact O-N 3.11Å; Q758-S760 PolarHBondContact O-N 3.39Å; S760-Q762 PolarHBondContact O-N 3.42Å
761	S	93.3	Very high	92.5	Very high	10 Å²	10	44.4 Å²	44.4	7%	0.07	23%	0.229	C	C	.	.			trans	-88.1	103.3	179.1	175.6	0	0	0	0	110	G727 A756 A759 E763 C764 I765	G727-S761 PolarHBondContact O-OG 2.78Å; A756-S761 PolarHBondContact O-N 2.92Å; A756-S761 VanDerWaalsContact O-N 3.09Å; A759-S761 PolarHBondContact O-N 2.93Å; S761-E763 VanDerWaalsContact C-N 3.28Å; S761-E763 PolarHBondContact O-N 3.08Å; S761-C764 PolarHBondContact O-N 3.26Å; S761-C764 WeakPolarHBondContact OG-CB 3.4Å; S761-C764 PolarHBondContact OG-N 2.86Å; S761-C764 PolarHBondContact OG-SG 2.83Å; S761-I765 WeakPolarHBondContact O-CG1 3.39Å; S761-I765 PolarHBondContact O-N 2.7Å; S761-I765 VanDerWaalsContact O-N 3.15Å
762	Q	90.7	Very high	92.1	Very high	104 Å²	104	46.4 Å²	46.4	49%	0.486	25%	0.251	S	S	.	.	H	α-helix	trans	-63.9	-36.5	178.9	-172.8	60.8	52.8	0	0	111.3	S760 I765 D766	S760-Q762 PolarHBondContact O-N 3.42Å; Q762-I765 WeakPolarHBondContact O-CB 3.37Å; Q762-I765 PolarHBondContact O-N 3.5Å; Q762-I765 VanDerWaalsContact O-N 3.17Å; Q762-D766 PolarHBondContact NE2-OD1 3.48Å; Q762-D766 PolarHBondContact NE2-OD2 3.23Å; Q762-D766 WeakPolarHBondContact O-CB 3.31Å; Q762-D766 PolarHBondContact O-N 3.18Å
763	E	90.3	Very high	91.8	Very high	67 Å²	67	46.5 Å²	46.5	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-71.8	-35.6	-177.5	-50.9	97.6	131	0	0	112	K622 V729 S761 I765 D766 V767	K622-E763 VanDerWaalsContact NZ-CD 3.26Å; K622-E763 IonicContact NZ-OE1 3.29Å; K622-E763 PolarHBondContact NZ-OE1 3.39Å; V729-E763 HydrophobicContact CB-CB 4.18Å; V729-E763 HydrophobicContact CG1-CB 4.37Å; V729-E763 HydrophobicContact CG2-CB 3.96Å; S761-E763 VanDerWaalsContact C-N 3.28Å; S761-E763 PolarHBondContact O-N 3.08Å; E763-I765 VanDerWaalsContact C-N 3.34Å; E763-D766 PolarHBondContact O-N 2.86Å; E763-V767 WeakPolarHBondContact O-CB 3.4Å; E763-V767 VanDerWaalsContact O-CG2 3.3Å; E763-V767 WeakPolarHBondContact O-CG2 3.23Å; E763-V767 PolarHBondContact O-N 2.98Å
764	C	93.9	Very high	91.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.2	-36.4	169.1	-76.6	0	0	0	0	112.1	V729 A756 S761 L768	V729-C764 VanDerWaalsContact CA-SG 3.58Å; A756-C764 HydrophobicContact CB-CB 3.66Å; S761-C764 PolarHBondContact O-N 3.26Å; S761-C764 WeakPolarHBondContact OG-CB 3.4Å; S761-C764 PolarHBondContact OG-N 2.86Å; S761-C764 PolarHBondContact OG-SG 2.83Å; C764-L768 VanDerWaalsContact O-CB 3.32Å; C764-L768 WeakPolarHBondContact O-CB 3.41Å; C764-L768 WeakPolarHBondContact O-CD1 3.33Å; C764-L768 WeakPolarHBondContact O-CG 3.12Å; C764-L768 PolarHBondContact O-N 3.18Å
765	I	93.3	Very high	90.6	Very high	19 Å²	19	51 Å²	51	10%	0.097	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-49.1	174	-71.9	165.4	0	0	0	110.4	L753 A756 R757 S761 Q762 E763 L768 L769	L753-I765 HydrophobicContact CD1-CB 4.18Å; L753-I765 HydrophobicContact CD1-CG1 4.04Å; L753-I765 HydrophobicContact CD1-CG2 4.07Å; A756-I765 HydrophobicContact CB-CG1 3.88Å; R757-I765 HydrophobicContact CG-CD1 3.68Å; R757-I765 HydrophobicContact CG-CG1 4Å; S761-I765 WeakPolarHBondContact O-CG1 3.39Å; S761-I765 PolarHBondContact O-N 2.7Å; S761-I765 VanDerWaalsContact O-N 3.15Å; Q762-I765 WeakPolarHBondContact O-CB 3.37Å; Q762-I765 PolarHBondContact O-N 3.5Å; Q762-I765 VanDerWaalsContact O-N 3.17Å; E763-I765 VanDerWaalsContact C-N 3.34Å; I765-L768 PolarHBondContact O-N 3.17Å; I765-L769 HydrophobicContact CG2-CD1 3.71Å; I765-L769 HydrophobicContact CG2-CG 4.43Å; I765-L769 WeakPolarHBondContact O-CB 3.17Å; I765-L769 VanDerWaalsContact O-CG 3.28Å; I765-L769 WeakPolarHBondContact O-CG 3.47Å; I765-L769 PolarHBondContact O-N 3.33Å
766	D	90.8	Very high	89.4	Confident	74 Å²	74	54.2 Å²	54.2	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-41.6	-175.5	-66.4	-19.4	0	0	0	111.6	Q762 E763 Q770	Q762-D766 PolarHBondContact NE2-OD1 3.48Å; Q762-D766 PolarHBondContact NE2-OD2 3.23Å; Q762-D766 WeakPolarHBondContact O-CB 3.31Å; Q762-D766 PolarHBondContact O-N 3.18Å; E763-D766 PolarHBondContact O-N 2.86Å; D766-Q770 VanDerWaalsContact O-CB 3.32Å; D766-Q770 WeakPolarHBondContact O-CB 3.42Å; D766-Q770 PolarHBondContact O-N 3.32Å
767	V	92.7	Very high	87.6	Confident	1 Å²	1	64 Å²	64	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-49.9	171.9	169.5	0	0	0	0	111.1	E619 V729 I736 E763 L769 Q770 Y771	E619-V767 HydrophobicContact CB-CG2 4.03Å; E619-V767 HydrophobicContact CG-CG2 3.56Å; V729-V767 HydrophobicContact CG2-CG2 3.78Å; I736-V767 HydrophobicContact CD1-CG1 3.65Å; E763-V767 WeakPolarHBondContact O-CB 3.4Å; E763-V767 VanDerWaalsContact O-CG2 3.3Å; E763-V767 WeakPolarHBondContact O-CG2 3.23Å; E763-V767 PolarHBondContact O-N 2.98Å; V767-L769 VanDerWaalsContact C-N 3.33Å; V767-L769 PolarHBondContact O-N 3.34Å; V767-Q770 WeakPolarHBondContact O-CB 3.39Å; V767-Q770 PolarHBondContact O-N 3.11Å; V767-Q770 VanDerWaalsContact O-N 3.16Å; V767-Y771 HydrophobicContact CG1-CD2 3.97Å; V767-Y771 HydrophobicContact CG1-CE2 4.22Å; V767-Y771 VanDerWaalsContact O-CD2 3.31Å; V767-Y771 WeakPolarHBondContact O-CD2 3.46Å; V767-Y771 PolarHBondContact O-N 2.9Å
768	L	94.1	Very high	85.6	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-40.3	-178.4	-75.3	172.5	0	0	0	112.4	L720 I736 V742 A752 L753 A756 C764 I765 Y771 G772 C773	L720-L768 HydrophobicContact CD1-CD2 4.39Å; L720-L768 HydrophobicContact CD2-CD2 4.04Å; L720-L768 HydrophobicContact CG-CD2 4.42Å; I736-L768 HydrophobicContact CD1-CD2 4.21Å; V742-L768 HydrophobicContact CG1-CD2 4.06Å; A752-L768 HydrophobicContact CB-CD1 3.99Å; A752-L768 HydrophobicContact CB-CD2 4.09Å; L753-L768 HydrophobicContact CB-CD1 4.07Å; L753-L768 HydrophobicContact CD1-CB 4.14Å; L753-L768 HydrophobicContact CD1-CD1 4.24Å; A756-L768 HydrophobicContact CB-CD1 4Å; C764-L768 VanDerWaalsContact O-CB 3.32Å; C764-L768 WeakPolarHBondContact O-CB 3.41Å; C764-L768 WeakPolarHBondContact O-CD1 3.33Å; C764-L768 WeakPolarHBondContact O-CG 3.12Å; C764-L768 PolarHBondContact O-N 3.18Å; I765-L768 PolarHBondContact O-N 3.17Å; L768-Y771 CarbonylContact O-C 3.56Å; L768-Y771 PolarHBondContact O-N 3.5Å; L768-G772 PolarHBondContact O-N 3.06Å; L768-G772 VanDerWaalsContact O-N 3.17Å; L768-C773 HydrophobicContact CB-CB 3.84Å; L768-C773 HydrophobicContact CD2-CB 4.46Å; L768-C773 WeakPolarHBondContact O-CB 3.11Å; L768-C773 PolarHBondContact O-N 2.84Å
769	L	91.7	Very high	83.4	Confident	70 Å²	70	69.7 Å²	69.7	37%	0.366	36%	0.364	S	S	.	.	H	α-helix	trans	-66.8	-37.7	174.9	-69.3	171.7	0	0	0	111.9	L753 I765 V767 Y771 G772 D775	L753-L769 HydrophobicContact CD1-CG 4.32Å; L753-L769 HydrophobicContact CD2-CD2 3.93Å; I765-L769 HydrophobicContact CG2-CD1 3.71Å; I765-L769 HydrophobicContact CG2-CG 4.43Å; I765-L769 WeakPolarHBondContact O-CB 3.17Å; I765-L769 VanDerWaalsContact O-CG 3.28Å; I765-L769 WeakPolarHBondContact O-CG 3.47Å; I765-L769 PolarHBondContact O-N 3.33Å; V767-L769 VanDerWaalsContact C-N 3.33Å; V767-L769 PolarHBondContact O-N 3.34Å; L769-Y771 VanDerWaalsContact C-N 3.3Å; L769-Y771 PolarHBondContact O-N 2.85Å; L769-G772 PolarHBondContact O-N 2.92Å; L769-G772 VanDerWaalsContact O-N 3.1Å; L769-D775 HydrophobicContact CD2-CB 4.37Å
770	Q	91	Very high	81.3	Confident	132 Å²	132	69.9 Å²	69.9	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-61.8	-36.7	174.2	-175.3	-176.8	19	0	0	112.3	D766 V767 G772	D766-Q770 VanDerWaalsContact O-CB 3.32Å; D766-Q770 WeakPolarHBondContact O-CB 3.42Å; D766-Q770 PolarHBondContact O-N 3.32Å; V767-Q770 WeakPolarHBondContact O-CB 3.39Å; V767-Q770 PolarHBondContact O-N 3.11Å; V767-Q770 VanDerWaalsContact O-N 3.16Å; Q770-G772 VanDerWaalsContact C-N 3.3Å
771	Y	89.6	Confident	79	Confident	83 Å²	83	73 Å²	73	33%	0.325	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	15.7	174.9	-70.8	-82.5	0	0	0	113.6	I736 W737 V767 L768 L769	I736-Y771 HydrophobicContact CD1-CD2 4.3Å; I736-Y771 HydrophobicContact CG2-CD1 3.61Å; I736-Y771 HydrophobicContact CG2-CD2 3.83Å; I736-Y771 HydrophobicContact CG2-CE1 3.91Å; I736-Y771 HydrophobicContact CG2-CE2 4.15Å; I736-Y771 HydrophobicContact CG2-CG 3.58Å; W737-Y771 AromaticContact NE1-CZ 3.8Å; W737-Y771 PolarHBondContact NE1-OH 3.04Å; V767-Y771 HydrophobicContact CG1-CD2 3.97Å; V767-Y771 HydrophobicContact CG1-CE2 4.22Å; V767-Y771 VanDerWaalsContact O-CD2 3.31Å; V767-Y771 WeakPolarHBondContact O-CD2 3.46Å; V767-Y771 PolarHBondContact O-N 2.9Å; L768-Y771 CarbonylContact O-C 3.56Å; L768-Y771 PolarHBondContact O-N 3.5Å; L769-Y771 VanDerWaalsContact C-N 3.3Å; L769-Y771 PolarHBondContact O-N 2.85Å
772	G	86.1	Confident	76.5	Confident	48 Å²	48	76.7 Å²	76.7	50%	0.495	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	10.5	166.1	0	0	0	0	0	116.8	M743 L768 L769 Q770	M743-G772 WeakPolarHBondContact CE-O 3.5Å; L768-G772 PolarHBondContact O-N 3.06Å; L768-G772 VanDerWaalsContact O-N 3.17Å; L769-G772 PolarHBondContact O-N 2.92Å; L769-G772 VanDerWaalsContact O-N 3.1Å; Q770-G772 VanDerWaalsContact C-N 3.3Å
773	C	87.1	Confident	74.1	Confident	4 Å²	4	76 Å²	76	3%	0.027	40%	0.399	C	S	.	.			trans	-60	131	178.1	-159.6	0	0	0	0	110.8	V742 L753 L768 D775	V742-C773 HydrophobicContact CG1-CB 3.6Å; V742-C773 PolarHBondContact O-SG 2.88Å; L753-C773 HydrophobicContact CB-CB 4.5Å; L768-C773 HydrophobicContact CB-CB 3.84Å; L768-C773 HydrophobicContact CD2-CB 4.46Å; L768-C773 WeakPolarHBondContact O-CB 3.11Å; L768-C773 PolarHBondContact O-N 2.84Å; C773-D775 PolarHBondContact O-N 2.89Å
774	P	80.9	Confident	71.4	Confident	46 Å²	46	78.8 Å²	78.8	30%	0.299	42%	0.422	S	S	.	.			trans	-67.7	131.6	-171.5	24.6	-34.7	0	0	0	113.7	T751 L753 E776	T751-P774 HydrophobicContact CG2-CG 4.36Å; L753-P774 WeakPolarHBondContact CD2-O 3.3Å; P774-E776 PolarHBondContact O-N 2.92Å
775	D	79.1	Confident	68.5	Low	67 Å²	67	86.2 Å²	86.2	36%	0.358	46%	0.462	S	S	.	.			trans	-72.2	67	172.5	-177.8	21.7	0	0	0	112	R757 L769 C773 R777	R757-D775 IonicContact CZ-OD1 2.74Å; R757-D775 IonicContact NH1-OD1 3.99Å; R757-D775 PolarHBondContact NH1-OD1 3.33Å; R757-D775 IonicContact NH2-OD1 3.76Å; R757-D775 PolarHBondContact NH2-OD1 3.04Å; L769-D775 HydrophobicContact CD2-CB 4.37Å; C773-D775 PolarHBondContact O-N 2.89Å; D775-R777 PolarHBondContact O-N 3.13Å; D775-R777 WeakPolarHBondContact OD1-CG 3.38Å; D775-R777 IonicContact OD1-NE 2.98Å; D775-R777 IonicContact OD2-CZ 2.78Å; D775-R777 IonicContact OD2-NE 2.68Å; D775-R777 PolarHBondContact OD2-NE 3.11Å; D775-R777 IonicContact OD2-NH2 2.88Å; D775-R777 PolarHBondContact OD2-NH2 2.79Å; D775-R777 VanDerWaalsContact OD2-NH2 3.09Å
776	E	68.4	Low	65.6	Low	76 Å²	76	93.9 Å²	93.9	36%	0.355	50%	0.502	S	S	.	.			trans	-76.9	112.3	166.9	-75.8	-179.6	-169.7	0	0	109.5	R745 R757 P774 F778	R745-E776 IonicContact CZ-OE1 3.34Å; R745-E776 IonicContact CZ-OE2 3.93Å; R745-E776 IonicContact NH1-OE1 2.8Å; R745-E776 IonicContact NH1-OE2 2.73Å; R745-E776 PolarHBondContact NH1-OE2 2.88Å; R745-E776 IonicContact NH2-OE1 2.61Å; R745-E776 PolarHBondContact NH2-OE1 2.58Å; R745-E776 IonicContact NH2-OE2 2.96Å; R745-E776 PolarHBondContact NH2-OE2 3.02Å; R757-E776 PolarHBondContact NH1-O 3.04Å; R757-E776 VanDerWaalsContact NH1-O 3.13Å; P774-E776 PolarHBondContact O-N 2.92Å; E776-F778 HydrophobicContact CB-CD2 4.23Å; E776-F778 PolarHBondContact O-N 2.67Å
777	R	57.6	Low	62.8	Low	205 Å²	205	95.4 Å²	95.4	77%	0.774	52%	0.519	S	S	*	.			trans	-86.1	20.8	-177.4	-63.3	-174	179.6	-172.2	-0.1	113.8	D775	D775-R777 PolarHBondContact O-N 3.13Å; D775-R777 WeakPolarHBondContact OD1-CG 3.38Å; D775-R777 IonicContact OD1-NE 2.98Å; D775-R777 IonicContact OD2-CZ 2.78Å; D775-R777 IonicContact OD2-NE 2.68Å; D775-R777 PolarHBondContact OD2-NE 3.11Å; D775-R777 IonicContact OD2-NH2 2.88Å; D775-R777 PolarHBondContact OD2-NH2 2.79Å; D775-R777 VanDerWaalsContact OD2-NH2 3.09Å
778	F	49.2	Very low	59.8	Low	175 Å²	175	107.1 Å²	107.1	77%	0.768	56%	0.563	S	S	*	*			trans	-76.9	137.3	176.9	-65.1	-70.2	0	0	0	110.4	E776	E776-F778 HydrophobicContact CB-CD2 4.23Å; E776-F778 PolarHBondContact O-N 2.67Å
779	V	46.2	Very low	56.8	Low	136 Å²	136	117.1 Å²	117.1	82%	0.824	61%	0.606	S	S	*	*			trans	-75	133.3	170.5	178.1	0	0	0	0	107.7	M781	V779-M781 PolarHBondContact O-N 2.82Å
780	L	48.4	Very low	53.7	Low	45 Å²	45	119.3 Å²	119.3	24%	0.236	63%	0.627	C	S	.	*			trans	-43.7	127.6	176.3	-65.2	172.9	0	0	0	111.1	N750 A754 Q758 A782	N750-L780 HydrophobicContact CB-CD2 3.94Å; N750-L780 VanDerWaalsContact CG-CD2 3.41Å; N750-L780 WeakPolarHBondContact OD1-CD2 3.37Å; A754-L780 HydrophobicContact CB-CD2 3.67Å; Q758-L780 HydrophobicContact CB-CD1 4.08Å; Q758-L780 HydrophobicContact CG-CD1 4.12Å; L780-A782 VanDerWaalsContact C-N 3.27Å; L780-A782 PolarHBondContact O-N 2.7Å
781	M	44.5	Very low	50.7	Low	171 Å²	171	120.9 Å²	120.9	84%	0.842	64%	0.64	S	S	*	*			trans	-70.2	90.7	163.7	-73.2	-158.5	-177.4	0	0	108.4	V779 T783	V779-M781 PolarHBondContact O-N 2.82Å; M781-T783 PolarHBondContact O-N 3.45Å
782	A	41.3	Very low	47.8	Very low	86 Å²	86	121.8 Å²	121.8	71%	0.711	66%	0.659	S	S	*	*			trans	-62.2	127.9	-179.5	0	0	0	0	0	110.6	L780	L780-A782 VanDerWaalsContact C-N 3.27Å; L780-A782 PolarHBondContact O-N 2.7Å
783	T	39.9	Very low	45.2	Very low	91 Å²	91	130 Å²	130	56%	0.558	68%	0.675	S	S	*	*			trans	-57.1	136.6	166.6	41.5	0	0	0	0	109.6	H748 M781 N785	H748-T783 WeakPolarHBondContact NE2-CG2 3.21Å; M781-T783 PolarHBondContact O-N 3.45Å; T783-N785 PolarHBondContact O-N 3.32Å
784	P	33.8	Very low	42.4	Very low	125 Å²	125	136.9 Å²	136.9	81%	0.812	71%	0.711	S	S	*	*			trans	-69.1	107.1	-172.1	26	-33.8	0	0	0	110.7	L786	P784-L786 PolarHBondContact O-N 3.06Å
785	N	32.6	Very low	39.9	Very low	156 Å²	156	141.7 Å²	141.7	83%	0.834	74%	0.735	S	S	*	*			trans	-57.1	111.2	172.3	-96.7	-66.6	0	0	0	110.2	T783 S787	T783-N785 PolarHBondContact O-N 3.32Å; N785-S787 VanDerWaalsContact C-N 3.3Å; N785-S787 PolarHBondContact O-N 3.41Å
786	L	32.3	Very low	37.5	Very low	179 Å²	179	142.4 Å²	142.4	94%	0.937	74%	0.744	S	S	*	*			trans	-68.4	86.1	173.9	-92.1	167.1	0	0	0	110.5	P784 R788	P784-L786 PolarHBondContact O-N 3.06Å; L786-R788 PolarHBondContact O-N 3.39Å
787	S	31.2	Very low	35.6	Very low	106 Å²	106	144.7 Å²	144.7	74%	0.741	77%	0.769	S	S	*	*			trans	-72.5	125.1	178.8	66.2	0	0	0	0	111.6	N785	N785-S787 VanDerWaalsContact C-N 3.3Å; N785-S787 PolarHBondContact O-N 3.41Å
788	R	30.5	Very low	34.2	Very low	248 Å²	248	138.7 Å²	138.7	94%	0.936	77%	0.771	S	S	*	*			trans	-153	102.4	146.4	-114.2	168.6	-167.4	-180	4.3	111.7	L786 S790	L786-R788 PolarHBondContact O-N 3.39Å; R788-S790 PolarHBondContact O-N 3.33Å
789	K	31.7	Very low	33.3	Very low	211 Å²	211	142.2 Å²	142.2	92%	0.917	78%	0.779	S	S	*	*			trans	-67.2	116.5	157	-75.9	-179.3	174.9	177.9	0	107.7
790	S	25.8	Very low	32.5	Very low	116 Å²	116	139.8 Å²	139.8	81%	0.811	77%	0.774	S	S	*	*			trans	-98.4	135.2	154.4	-173.5	0	0	0	0	107.7	R788	R788-S790 PolarHBondContact O-N 3.33Å
791	N	29.3	Very low	32.1	Very low	164 Å²	164	143.5 Å²	143.5	88%	0.877	80%	0.8	S	S	*	*			trans	-126.6	86.3	-172.9	-167.8	27	0	0	0	110.2
792	S	28.5	Very low	31.4	Very low	103 Å²	103	140.3 Å²	140.3	72%	0.72	80%	0.795	S	S	*	*			trans	-146.4	106.2	175.8	-175	0	0	0	0	113.3
793	R	30.3	Very low	30.9	Very low	220 Å²	220	142.1 Å²	142.1	83%	0.83	80%	0.797	S	S	*	*			trans	20.8	137.2	139.7	-67.5	176.6	174.3	163.5	-2.5	120.8
794	N	28.2	Very low	30.6	Very low	149 Å²	149	149.2 Å²	149.2	80%	0.797	83%	0.829	S	S	*	*			trans	82.9	103.1	140.3	-72.2	18.9	0	0	0	121.2
795	N	28.5	Very low	30.5	Very low	147 Å²	147	150.5 Å²	150.5	79%	0.786	83%	0.83	S	S	*	*				98	144.6	114.9	-156.8	34	0	0	0	120.5
796	S	29.9	Very low	30.3	Very low	81 Å²	81	150.2 Å²	150.2	57%	0.566	83%	0.83	S	S	*	*			trans	57.4	111.5	153	54.9	0	0	0	0	121.4
797	S	28.7	Very low	30.2	Very low	124 Å²	124	148.6 Å²	148.6	87%	0.867	82%	0.824	S	S	*	*			trans	55.2	121.3	134.1	62.6	0	0	0	0	120.9
798	G	27.7	Very low	30.2	Very low	80 Å²	80	151.1 Å²	151.1	83%	0.825	83%	0.829	S	S	*	*			trans	-163.3	113.2	167.5	0	0	0	0	0	113.1
799	R	29.6	Very low	30.1	Very low	248 Å²	248	145 Å²	145	94%	0.936	82%	0.822	S	S	*	*			trans	-58.4	150.2	177.6	-133.6	174.4	-175.5	166.4	-2.6	112.7
800	A	30.3	Very low	30	Very low	86 Å²	86	140.6 Å²	140.6	71%	0.711	82%	0.816	S	S	*	*			trans	-66.8	163.3	155.6	0	0	0	0	0	110.6
801	P	39.9	Very low	30.4	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	82%	0.816	S	S	*	*				-139.3	173.7	86	39.4	-26.3	0	0	0	115.5
802	S	29.2	Very low	30.4	Very low	105 Å²	105	140.7 Å²	140.7	73%	0.734	81%	0.811	S	S	*	*			trans	-65.4	168	165.8	48.8	0	0	0	0	113.7
803	V	30.2	Very low	30.6	Very low	124 Å²	124	143.8 Å²	143.8	75%	0.752	82%	0.819	S	S	*	*				-178.5	137.2	120.8	144.6	0	0	0	0	110.2
804	I	34.7	Very low	30.6	Very low	240 Å²	240	136.9 Å²	136.9	100%	1.231	82%	0.818	S	S	*	*			trans	61.1	0	-178.5	-61.3	155.4	0	0	0	112.9

Retrieved 804 of 804 residues in 1382.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).