A0A3Q0KPE4_SCHMA Loading...

Putative annexin

AlphaFold DB , UniProt , Accession A0A3Q0KPE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 946 aa.

						>A0A3Q0KPE4_SCHMA|A0A3Q0KPE4
MKLDIILIMVFLKLLPIYCTPTEPVIYGILPDIYNSITDNIIVLPSNKPIHLSMFGLKMDYISHIAFASIKKPRNSSCEHERVTNSFDALPENSFVSTSVISLRELSNNEVAFFLCIRITPTSLPKADSTSNYTDIDGKWIFAGDGGGTDSVSDYRLSFRTTTTLMPLWVQIILIILLFFLSGLFSGLNLGLMSLDKTELKIIESAGSHNEKSYAKAIRPVREKGNLLLCTLLLGNVLVNTSLTILMDDLTGNGLFAVIGSTIGITLLGEIMPQAVCSRNGLAIGAKTLWLTKLFMLLTFPIAFPISFLLDKILGEEIGQVYSREKLGVLIREQALAGTVATDEMNIITGALALTTKTVADVMTPLSDAFMLSYSANLDFHTMNEIFSNGYTRIPVYENDRQNIRSVLNVKDLAFINTDDKVPVSTVCDFYNRSIIIVLDTTNLGMMLKEFRQGRAHMAFVERLVTEGDCDPYREMIGLVTLEDVIEEIIQAEIVDETDILTDNVHHQVRQVRKRDFRMFGLHDSQGKSRLSPQLKIAALRHLASEVKSFEEKYICYSVLQSFLNANIVGECIYNPKDDEANTLYHMGQWSNYAILLLQGRAVVQIGVEGLIFEAGPFLMFGEAVLKRVNELFPNPSENMDPSVQSARLASEARFLPDYTLKACSNLQYLKISAEHYLLARRLTVLHQRASLPLDVTGKYPINLSEKLHEIKSSNGCIDSLHSSTLYDGHDMFQNAWNHHMDRLQKSSLAAAYASTINNNNNNHVGIKPISSSSSSDCIIKATTTYSTSTINTNNNTTPDISTIINTTSKTISNNNVENAIPDSTTYIVSTASYVEPHTTVNDSRGRSGSKNYNKTDNNNPHHHNNGTNNNHTNDNYNNTTTSTTTTTTTPSNSNSNKPPTKLYVCYEDVNKAKPEELQAFVPSILINTNMNKPLPKFNDGGGGRV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.2	Low	63.3	Low	179 Å²	179	125.6 Å²	125.6	88%	0.882	63%	0.627	S	S	*	*				0	-68.3	0	-66.3	-173.5	80	0	0	114.1	L3 D4 I5	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.19Å; M1-D4 WeakPolarHBondContact CA-OD2 3.4Å; M1-D4 PolarHBondContact N-OD2 3.38Å; M1-D4 PolarHBondContact O-N 3.38Å; M1-D4 VanDerWaalsContact O-N 3.13Å; M1-D4 VanDerWaalsContact O-OD2 3.13Å; M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 2.94Å; M1-I5 VanDerWaalsContact O-N 3.08Å
2	K	55.5	Low	63.1	Low	185 Å²	185	125.3 Å²	125.3	80%	0.804	63%	0.627	S	S	*	*	H	α-helix	trans	-59.5	-34.1	-172.5	-82.1	-169.3	175.3	-177.5	0	114.3	I6	K2-I6 WeakPolarHBondContact O-CD1 3.37Å; K2-I6 WeakPolarHBondContact O-CG1 3.42Å
3	L	57.3	Low	62.4	Low	140 Å²	140	129.5 Å²	129.5	73%	0.733	64%	0.64	S	S	*	*	H	α-helix	trans	-71.8	-39.1	177	-156.2	74.7	0	0	0	112	M1 I6 L7	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.19Å; L3-I6 PolarHBondContact O-N 3.47Å; L3-L7 PolarHBondContact O-N 3.39Å
4	D	66	Low	61.8	Low	89 Å²	89	129.8 Å²	129.8	48%	0.476	64%	0.644	S	S	.	*	H	α-helix	trans	-69.9	-38	-176.7	-36.4	-86.3	0	0	0	111.5	M1 I6 L7 I8	M1-D4 WeakPolarHBondContact CA-OD2 3.4Å; M1-D4 PolarHBondContact N-OD2 3.38Å; M1-D4 PolarHBondContact O-N 3.38Å; M1-D4 VanDerWaalsContact O-N 3.13Å; M1-D4 VanDerWaalsContact O-OD2 3.13Å; D4-I6 VanDerWaalsContact C-N 3.3Å; D4-I6 PolarHBondContact O-N 3.43Å; D4-L7 PolarHBondContact O-N 3.35Å; D4-I8 VanDerWaalsContact O-CG1 3.31Å; D4-I8 WeakPolarHBondContact O-CG1 3.45Å; D4-I8 PolarHBondContact O-N 3.45Å
5	I	70.2	Confident	60.7	Low	97 Å²	97	130.1 Å²	130.1	50%	0.497	65%	0.648	S	S	.	*	H	α-helix	trans	-61.7	-39	174.1	-66.2	165	0	0	0	110.8	M1 M9	M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 2.94Å; M1-I5 VanDerWaalsContact O-N 3.08Å; I5-M9 WeakPolarHBondContact O-CB 3.07Å; I5-M9 WeakPolarHBondContact O-CG 3.47Å; I5-M9 PolarHBondContact O-N 3.02Å
6	I	70.1	Confident	59.6	Low	107 Å²	107	127.7 Å²	127.7	55%	0.549	64%	0.644	S	S	.	*	H	α-helix	trans	-66.9	-43	175.4	-65.9	166.8	0	0	0	110.3	K2 L3 D4 I8 M9 V10	K2-I6 WeakPolarHBondContact O-CD1 3.37Å; K2-I6 WeakPolarHBondContact O-CG1 3.42Å; L3-I6 PolarHBondContact O-N 3.47Å; D4-I6 VanDerWaalsContact C-N 3.3Å; D4-I6 PolarHBondContact O-N 3.43Å; I6-I8 PolarHBondContact O-N 2.76Å; I6-M9 PolarHBondContact O-N 3.37Å; I6-V10 WeakPolarHBondContact O-CG2 3.43Å; I6-V10 PolarHBondContact O-N 2.94Å
7	L	64.9	Low	58.3	Low	124 Å²	124	130.1 Å²	130.1	65%	0.649	66%	0.657	S	S	*	*	H	α-helix	trans	-61.3	-43.3	177.6	-160	75.7	0	0	0	111.8	L3 D4 V10 F11	L3-L7 PolarHBondContact O-N 3.39Å; D4-L7 PolarHBondContact O-N 3.35Å; L7-V10 PolarHBondContact O-N 3.24Å; L7-F11 PolarHBondContact O-N 3.43Å
8	I	70.5	Confident	57.2	Low	104 Å²	104	135.1 Å²	135.1	53%	0.533	67%	0.669	S	S	.	*	H	α-helix	trans	-64.2	-42.9	175.8	-70.1	164.6	0	0	0	111.3	D4 I6 V10 F11 L12	D4-I8 VanDerWaalsContact O-CG1 3.31Å; D4-I8 WeakPolarHBondContact O-CG1 3.45Å; D4-I8 PolarHBondContact O-N 3.45Å; I6-I8 PolarHBondContact O-N 2.76Å; I8-V10 VanDerWaalsContact C-N 3.3Å; I8-V10 PolarHBondContact O-N 3.11Å; I8-F11 PolarHBondContact O-N 3.2Å; I8-L12 HydrophobicContact CG2-CD1 3.88Å; I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 PolarHBondContact O-N 3.01Å
9	M	65.6	Low	56.5	Low	123 Å²	123	134.6 Å²	134.6	61%	0.606	68%	0.678	S	S	*	*	H	α-helix	trans	-62.1	-32.9	174.6	-88.1	-76.8	167	0	0	113.4	I5 I6	I5-M9 WeakPolarHBondContact O-CB 3.07Å; I5-M9 WeakPolarHBondContact O-CG 3.47Å; I5-M9 PolarHBondContact O-N 3.02Å; I6-M9 PolarHBondContact O-N 3.37Å
10	V	63.8	Low	56	Low	83 Å²	83	134 Å²	134	50%	0.503	68%	0.682	S	S	.	*	H	α-helix	trans	-73.4	-41.7	173.3	171.6	0	0	0	0	110.9	I6 L7 I8 K13	I6-V10 WeakPolarHBondContact O-CG2 3.43Å; I6-V10 PolarHBondContact O-N 2.94Å; L7-V10 PolarHBondContact O-N 3.24Å; I8-V10 VanDerWaalsContact C-N 3.3Å; I8-V10 PolarHBondContact O-N 3.11Å; V10-K13 PolarHBondContact O-N 2.96Å
11	F	59.4	Low	55.8	Low	151 Å²	151	129.2 Å²	129.2	66%	0.662	66%	0.66	S	S	*	*	H	α-helix	trans	-65.5	-40.2	179.1	-130.5	-92.5	0	0	0	112.7	L7 I8 K13 L14	L7-F11 PolarHBondContact O-N 3.43Å; I8-F11 PolarHBondContact O-N 3.2Å; F11-K13 PolarHBondContact O-N 3.45Å; F11-L14 PolarHBondContact O-N 3.39Å; F11-L14 VanDerWaalsContact O-N 3.14Å
12	L	61.2	Low	56.2	Low	121 Å²	121	125.2 Å²	125.2	63%	0.634	65%	0.646	S	S	*	*	H	α-helix	trans	-65.1	-21.2	176.6	-90.9	157.6	0	0	0	113.9	I8 L14	I8-L12 HydrophobicContact CG2-CD1 3.88Å; I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 PolarHBondContact O-N 3.01Å; L12-L14 VanDerWaalsContact C-N 3.3Å
13	K	53.7	Low	56.8	Low	181 Å²	181	118 Å²	118	79%	0.787	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-2.5	174.7	-77.4	-172.8	174.4	-174.6	0	114.4	V10 F11	V10-K13 PolarHBondContact O-N 2.96Å; F11-K13 PolarHBondContact O-N 3.45Å
14	L	53.6	Low	57.7	Low	133 Å²	133	111.9 Å²	111.9	70%	0.696	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	1.5	-174	-78.5	165.1	0	0	0	114.8	F11 L12	F11-L14 PolarHBondContact O-N 3.39Å; F11-L14 VanDerWaalsContact O-N 3.14Å; L12-L14 VanDerWaalsContact C-N 3.3Å
15	L	46.1	Very low	58.2	Low	134 Å²	134	108.7 Å²	108.7	70%	0.702	57%	0.567	S	S	*	*	S	Bend	trans	-97.8	125.9	176.8	-82.3	164.6	0	0	0	111.7
16	P	42.1	Very low	58.7	Low	92 Å²	92	104.9 Å²	104.9	60%	0.597	55%	0.548	S	S	*	.			trans	-85	130.2	-171.1	32	-34.7	0	0	0	113.8	Y18	P16-Y18 PolarHBondContact O-N 2.95Å
17	I	37.8	Very low	59.2	Low	169 Å²	169	106.4 Å²	106.4	87%	0.867	55%	0.547	S	S	*	.			trans	36.3	86.9	134.2	-43.5	175.9	0	0	0	115.6
18	Y	39	Very low	59.8	Low	219 Å²	219	100.8 Å²	100.8	86%	0.859	52%	0.519	S	S	*	.			trans	-121.5	142.3	156.4	-90.6	-91.6	0	0	0	110	P16 T20	P16-Y18 PolarHBondContact O-N 2.95Å; Y18-T20 PolarHBondContact O-N 2.92Å
19	C	44.1	Very low	60.4	Low	126 Å²	126	96.3 Å²	96.3	85%	0.851	50%	0.497	S	S	*	.			trans	-3.8	106.8	-179.8	-92.2	0	0	0	0	116.9	P21	C19-P21 WeakPolarHBondContact O-CD 3.48Å
20	T	45.2	Very low	61.3	Low	122 Å²	122	95.3 Å²	95.3	75%	0.748	49%	0.493	S	S	*	.			trans	-66.3	119.9	163.6	40.2	0	0	0	0	109.4	Y18	Y18-T20 PolarHBondContact O-N 2.92Å
21	P	53.1	Low	62.3	Low	34 Å²	34	91.5 Å²	91.5	22%	0.221	47%	0.47	C	S	.	.			trans	-63.9	148.1	179.3	26.2	-33.5	0	0	0	110.9	C19 E23 V25 L57 K58	C19-P21 WeakPolarHBondContact O-CD 3.48Å; P21-E23 VanDerWaalsContact C-N 3.3Å; P21-V25 HydrophobicContact CB-CG2 3.88Å; P21-V25 HydrophobicContact CG-CB 4.27Å; P21-V25 HydrophobicContact CG-CG2 3.59Å; P21-L57 HydrophobicContact CG-CD1 4.07Å; P21-K58 PolarHBondContact O-NZ 3.46Å
22	T	61	Low	63.5	Low	95 Å²	95	90.5 Å²	90.5	58%	0.583	47%	0.472	S	S	*	.	S	Bend	trans	-64.7	-39.3	172	41.6	0	0	0	0	111.2	K58 Y133	T22-K58 VanDerWaalsContact C-NZ 3.32Å; T22-K58 PolarHBondContact O-NZ 3.31Å; T22-Y133 PolarHBondContact OG1-OH 3.22Å
23	E	67.7	Low	64.4	Low	34 Å²	34	89 Å²	89	16%	0.159	46%	0.463	C	S	.	.	S	Bend	trans	-86.7	159.3	-179.6	-61.2	166.5	170.5	0	0	112.6	P21 R74 N75 Y133	P21-E23 VanDerWaalsContact C-N 3.3Å; E23-R74 IonicContact OE2-NH2 3.88Å; E23-N75 PolarHBondContact OE1-ND2 3.07Å; E23-N75 PolarHBondContact OE2-ND2 2.77Å; E23-Y133 PolarHBondContact OE1-OH 3.35Å
24	P	76.3	Confident	65.8	Low	11 Å²	11	86.1 Å²	86.1	7%	0.071	45%	0.448	C	S	.	.			trans	-66.5	141.6	166.5	29.3	-34.1	0	0	0	111.4	L57 K58 I62 I117 I119	P24-L57 WeakPolarHBondContact CA-O 3.25Å; P24-K58 HydrophobicContact CB-CB 4.27Å; P24-I62 HydrophobicContact CB-CD1 4.31Å; P24-I62 HydrophobicContact CB-CG1 4.14Å; P24-I62 HydrophobicContact CG-CG1 4.4Å; P24-I117 HydrophobicContact CG-CD1 4.26Å; P24-I119 HydrophobicContact CG-CD1 3.75Å; P24-I119 HydrophobicContact CG-CG1 3.96Å
25	V	77.6	Confident	66.8	Low	23 Å²	23	84.4 Å²	84.4	14%	0.139	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.2	-178.2	176	0	0	0	0	109.6	P21 Y27 G56 L57	P21-V25 HydrophobicContact CB-CG2 3.88Å; P21-V25 HydrophobicContact CG-CB 4.27Å; P21-V25 HydrophobicContact CG-CG2 3.59Å; V25-Y27 HydrophobicContact CG1-CD1 4.16Å; V25-Y27 HydrophobicContact CG1-CE1 3.86Å; V25-G56 CarbonylContact O-C 3.48Å; V25-G56 WeakPolarHBondContact O-CA 3.34Å; V25-L57 PolarHBondContact N-O 2.87Å; V25-L57 VanDerWaalsContact N-O 3.1Å; V25-L57 PolarHBondContact O-N 2.9Å
26	I	80.3	Confident	68.3	Low	16 Å²	16	80.2 Å²	80.2	8%	0.082	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119	179	-53.8	-176	0	0	0	108.7	I29 F55 M59 I62 L115 I117 A143 L157	I26-I29 HydrophobicContact CG2-CG1 4.19Å; I26-F55 CarbonylContact C-O 3.6Å; I26-M59 HydrophobicContact CB-CE 4.29Å; I26-M59 HydrophobicContact CD1-CE 4.4Å; I26-M59 HydrophobicContact CG1-CE 3.79Å; I26-M59 HydrophobicContact CG2-CE 4.14Å; I26-I62 HydrophobicContact CD1-CD1 3.99Å; I26-I62 HydrophobicContact CG1-CD1 4.3Å; I26-L115 HydrophobicContact CD1-CD2 3.53Å; I26-I117 HydrophobicContact CD1-CG2 3.91Å; I26-A143 HydrophobicContact CD1-CB 4.31Å; I26-L157 HydrophobicContact CB-CD2 4.23Å; I26-L157 HydrophobicContact CG2-CD2 3.75Å
27	Y	79.7	Confident	70	Confident	139 Å²	139	80.7 Å²	80.7	55%	0.545	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-20.9	177.7	-62.9	-48.1	0	0	0	113.2	V25 F55 L57	V25-Y27 HydrophobicContact CG1-CD1 4.16Å; V25-Y27 HydrophobicContact CG1-CE1 3.86Å; Y27-F55 PolarHBondContact N-O 2.79Å; Y27-L57 HydrophobicContact CE2-CD1 4.39Å; Y27-L57 HydrophobicContact CE2-CG 3.9Å; Y27-L57 VanDerWaalsContact OH-CD1 3.23Å; Y27-L57 WeakPolarHBondContact OH-CD1 3.32Å
28	G	77.6	Confident	71.4	Confident	6 Å²	6	75.2 Å²	75.2	6%	0.062	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.4	171.4	174.8	0	0	0	0	0	113.4	F55	G28-F55 PolarHBondContact N-O 3.18Å; G28-F55 PolarHBondContact O-N 2.87Å
29	I	82.9	Confident	72.7	Confident	11 Å²	11	71.3 Å²	71.3	6%	0.056	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138	-178.3	-48.5	170.1	0	0	0	108.5	I26 L52 S53 M54 L115 L157 F159	I26-I29 HydrophobicContact CG2-CG1 4.19Å; I29-L52 HydrophobicContact CG2-CD1 3.4Å; I29-L52 HydrophobicContact CG2-CD2 3.86Å; I29-L52 HydrophobicContact CG2-CG 3.39Å; I29-S53 CarbonylContact C-O 3.54Å; I29-S53 WeakPolarHBondContact CA-O 3.29Å; I29-M54 HydrophobicContact CG1-CG 4.23Å; I29-M54 HydrophobicContact CG2-CG 4.03Å; I29-L115 HydrophobicContact CD1-CD2 3.84Å; I29-L157 HydrophobicContact CD1-CD2 3.68Å; I29-L157 HydrophobicContact CG1-CD2 3.9Å; I29-F159 HydrophobicContact CB-CZ 4.09Å; I29-F159 HydrophobicContact CD1-CE2 3.82Å; I29-F159 HydrophobicContact CD1-CZ 3.8Å; I29-F159 HydrophobicContact CG2-CZ 3.92Å
30	L	85.3	Confident	73.7	Confident	101 Å²	101	69.9 Å²	69.9	53%	0.529	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111.2	173	-172.9	67	0	0	0	109.4	S53 F55	L30-S53 PolarHBondContact N-O 3.15Å; L30-S53 PolarHBondContact O-N 3.23Å; L30-F55 HydrophobicContact CB-CE2 3.79Å
31	P	85	Confident	75.2	Confident	4 Å²	4	65 Å²	65	3%	0.026	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.3	167.2	30.8	-29.5	0	0	0	110.5	I33 Y34 I42 L44 I50 H51 L52 F159	P31-I33 PolarHBondContact O-N 2.77Å; P31-Y34 HydrophobicContact CG-CD1 4.48Å; P31-I42 HydrophobicContact CG-CG2 3.76Å; P31-L44 HydrophobicContact CB-CD2 3.68Å; P31-L44 HydrophobicContact CG-CD2 3.68Å; P31-I50 HydrophobicContact CB-CG2 3.72Å; P31-H51 WeakPolarHBondContact CA-O 3.16Å; P31-L52 HydrophobicContact CB-CD1 4.01Å; P31-F159 HydrophobicContact CG-CE1 4.44Å
32	D	84.5	Confident	76.6	Confident	130 Å²	130	64 Å²	64	70%	0.695	33%	0.333	S	S	*	.	S	Bend	trans	-71.6	-18.8	-178.9	-154.1	40.2	0	0	0	112.9	H51	D32-H51 HydrophobicContact CB-CB 3.98Å; D32-H51 PolarHBondContact N-O 3.05Å
33	I	80.5	Confident	77.6	Confident	88 Å²	88	59.8 Å²	59.8	45%	0.451	31%	0.307	S	S	.	.			trans	-135.6	125.5	175	-54.7	176.2	0	0	0	109.1	P31 L44 P45	P31-I33 PolarHBondContact O-N 2.77Å; I33-L44 VanDerWaalsContact O-CD2 3.24Å; I33-L44 WeakPolarHBondContact O-CD2 3.32Å; I33-P45 HydrophobicContact CG2-CG 4.14Å
34	Y	81.6	Confident	78.4	Confident	121 Å²	121	58.2 Å²	58.2	48%	0.475	30%	0.299	S	S	.	.			trans	-144.9	148.9	170.8	64.2	-86.8	0	0	0	110.5	P31 I37 I42 V43	P31-Y34 HydrophobicContact CG-CD1 4.48Å; Y34-I37 HydrophobicContact CD2-CG1 4.15Å; Y34-I37 HydrophobicContact CE2-CD1 4.28Å; Y34-I37 HydrophobicContact CE2-CG1 4.17Å; Y34-I42 HydrophobicContact CG-CG2 4.4Å; Y34-V43 CarbonylContact C-O 3.57Å; Y34-V43 WeakPolarHBondContact CA-O 3.21Å; Y34-V43 WeakPolarHBondContact CB-O 3.26Å
35	N	74.5	Confident	78.5	Confident	97 Å²	97	58.3 Å²	58.3	52%	0.519	30%	0.3	S	S	.	.	S	Bend	trans	-85.9	-39.7	-178.6	-70.5	28.8	0	0	0	111.6	V43 T162	N35-V43 HydrophobicContact CB-CG1 4.35Å; N35-V43 PolarHBondContact N-O 3.25Å; N35-T162 PolarHBondContact ND2-OG1 2.71Å
36	S	78.3	Confident	78.6	Confident	46 Å²	46	58 Å²	58	32%	0.322	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	173.9	178.9	61.3	0	0	0	0	110.8	V43	S36-V43 WeakPolarHBondContact O-CB 3.21Å; S36-V43 PolarHBondContact O-N 3.42Å; S36-V43 WeakPolarHBondContact OG-CB 3.23Å; S36-V43 WeakPolarHBondContact OG-CG2 3.37Å
37	I	77.2	Confident	78.5	Confident	103 Å²	103	62.6 Å²	62.6	53%	0.528	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.9	166.5	-57.2	175.8	0	0	0	105.9	Y34	Y34-I37 HydrophobicContact CD2-CG1 4.15Å; Y34-I37 HydrophobicContact CE2-CD1 4.28Å; Y34-I37 HydrophobicContact CE2-CG1 4.17Å
38	T	68.8	Low	78.4	Confident	54 Å²	54	61.5 Å²	61.5	33%	0.331	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.5	-175	54.5	0	0	0	0	109	N40 I41 V43	T38-N40 PolarHBondContact O-N 3.07Å; T38-N40 VanDerWaalsContact O-N 3.13Å; T38-I41 PolarHBondContact N-O 2.95Å; T38-I41 VanDerWaalsContact N-O 3.12Å; T38-I41 WeakPolarHBondContact O-CB 3.39Å; T38-I41 PolarHBondContact O-N 3.32Å; T38-V43 WeakPolarHBondContact OG1-CG2 3.46Å
39	D	65.2	Low	78.7	Confident	137 Å²	137	65.6 Å²	65.6	73%	0.733	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	31.9	-179.5	-49.7	-37.2	0	0	0	113.9	I41	D39-I41 PolarHBondContact O-N 3.24Å
40	N	66.3	Low	78.8	Confident	95 Å²	95	65.1 Å²	65.1	51%	0.508	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	21.2	-173.7	-51.5	-55.8	0	0	0	115.3	T38 Y155	T38-N40 PolarHBondContact O-N 3.07Å; T38-N40 VanDerWaalsContact O-N 3.13Å; N40-Y155 HydrophobicContact CB-CD1 3.8Å; N40-Y155 HydrophobicContact CB-CG 4.44Å
41	I	75.5	Confident	78.9	Confident	19 Å²	19	65.6 Å²	65.6	10%	0.097	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.7	170	-52	171.1	0	0	0	107.7	T38 D39 A112 R160	T38-I41 PolarHBondContact N-O 2.95Å; T38-I41 VanDerWaalsContact N-O 3.12Å; T38-I41 WeakPolarHBondContact O-CB 3.39Å; T38-I41 PolarHBondContact O-N 3.32Å; D39-I41 PolarHBondContact O-N 3.24Å; I41-A112 HydrophobicContact CD1-CB 4.38Å; I41-A112 HydrophobicContact CG2-CB 4.3Å; I41-R160 HydrophobicContact CG2-CB 3.72Å
42	I	82	Confident	79.1	Confident	15 Å²	15	65.4 Å²	65.4	8%	0.077	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125	177.1	-55.3	171	0	0	0	108.8	P31 Y34 L44 S158 F159 R160	P31-I42 HydrophobicContact CG-CG2 3.76Å; Y34-I42 HydrophobicContact CG-CG2 4.4Å; I42-L44 HydrophobicContact CG2-CD2 4.11Å; I42-S158 PolarHBondContact N-O 3.4Å; I42-F159 HydrophobicContact CB-CD1 3.86Å; I42-F159 HydrophobicContact CB-CE1 4.05Å; I42-F159 HydrophobicContact CD1-CE1 3.99Å; I42-F159 HydrophobicContact CG2-CD1 4.35Å; I42-F159 HydrophobicContact CG2-CE1 4.42Å; I42-F159 VanDerWaalsContact O-CA 3.31Å; I42-F159 WeakPolarHBondContact O-CA 3.46Å; I42-R160 PolarHBondContact O-N 2.78Å
43	V	82.4	Confident	79.2	Confident	6 Å²	6	61 Å²	61	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115	-174.7	-172.9	0	0	0	0	110.1	Y34 N35 S36 T38 R160 T162	Y34-V43 CarbonylContact C-O 3.57Å; Y34-V43 WeakPolarHBondContact CA-O 3.21Å; Y34-V43 WeakPolarHBondContact CB-O 3.26Å; N35-V43 HydrophobicContact CB-CG1 4.35Å; N35-V43 PolarHBondContact N-O 3.25Å; S36-V43 WeakPolarHBondContact O-CB 3.21Å; S36-V43 PolarHBondContact O-N 3.42Å; S36-V43 WeakPolarHBondContact OG-CB 3.23Å; S36-V43 WeakPolarHBondContact OG-CG2 3.37Å; T38-V43 WeakPolarHBondContact OG1-CG2 3.46Å; V43-R160 CarbonylContact C-O 3.59Å; V43-R160 VanDerWaalsContact CA-O 3.27Å; V43-R160 WeakPolarHBondContact CA-O 3.49Å; V43-T162 HydrophobicContact CG1-CG2 3.5Å
44	L	84.2	Confident	79.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.7	-174.2	-64.7	-174.5	0	0	0	112	P31 I33 I42 S46 I50 I101 L103 F159 R160 T161 T162	P31-L44 HydrophobicContact CB-CD2 3.68Å; P31-L44 HydrophobicContact CG-CD2 3.68Å; I33-L44 VanDerWaalsContact O-CD2 3.24Å; I33-L44 WeakPolarHBondContact O-CD2 3.32Å; I42-L44 HydrophobicContact CG2-CD2 4.11Å; L44-S46 PolarHBondContact O-N 2.96Å; L44-I50 HydrophobicContact CB-CD1 3.85Å; L44-I50 HydrophobicContact CD1-CD1 4.02Å; L44-I50 HydrophobicContact CD2-CD1 4.22Å; L44-I50 HydrophobicContact CG-CD1 4.25Å; L44-I101 HydrophobicContact CD1-CD1 4.02Å; L44-L103 HydrophobicContact CD1-CD1 3.84Å; L44-F159 HydrophobicContact CD1-CB 4.13Å; L44-F159 HydrophobicContact CD1-CD1 3.41Å; L44-F159 VanDerWaalsContact CD1-CD1 3.41Å; L44-F159 HydrophobicContact CD1-CE1 4.04Å; L44-F159 HydrophobicContact CD1-CG 3.93Å; L44-F159 HydrophobicContact CD2-CD1 4.46Å; L44-F159 HydrophobicContact CG-CD1 3.85Å; L44-R160 PolarHBondContact N-O 2.68Å; L44-T161 CarbonylContact O-C 3.57Å; L44-T161 WeakPolarHBondContact O-CA 3.26Å; L44-T162 PolarHBondContact O-N 2.81Å; L44-T162 PolarHBondContact O-OG1 3.44Å; L44-T162 VanDerWaalsContact O-OG1 3.04Å
45	P	78.5	Confident	79.8	Confident	13 Å²	13	55.1 Å²	55.1	8%	0.084	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.4	170.4	27.8	-33	0	0	0	111.3	I33 K48 I50	I33-P45 HydrophobicContact CG2-CG 4.14Å; P45-K48 HydrophobicContact CB-CD 4.07Å; P45-K48 HydrophobicContact CB-CG 4.38Å; P45-K48 HydrophobicContact CG-CB 4.31Å; P45-K48 HydrophobicContact CG-CD 4.23Å; P45-I50 HydrophobicContact CG-CD1 4.06Å; P45-I50 HydrophobicContact CG-CG1 4.48Å
46	S	79.8	Confident	80.1	Confident	17 Å²	17	50.8 Å²	50.8	12%	0.119	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	145.2	175.6	63.6	0	0	0	0	112.6	L44 K48 T162	L44-S46 PolarHBondContact O-N 2.96Å; S46-K48 PolarHBondContact O-N 3.32Å; S46-T162 WeakPolarHBondContact CB-O 3.42Å; S46-T162 PolarHBondContact N-O 3.38Å; S46-T162 PolarHBondContact OG-O 3.24Å
47	N	78.2	Confident	80.4	Confident	113 Å²	113	50.2 Å²	50.2	60%	0.604	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	5.8	170.5	-58.5	-35.8	0	0	0	117	L103	N47-L103 PolarHBondContact N-O 3.05Å
48	K	79.1	Confident	80.5	Confident	116 Å²	116	48.3 Å²	48.3	50%	0.504	26%	0.255	S	S	.	.	S	Bend	trans	-88.6	144.6	168.8	-65.5	-169.6	-179.6	-178	0	110	P45 S46 I50	P45-K48 HydrophobicContact CB-CD 4.07Å; P45-K48 HydrophobicContact CB-CG 4.38Å; P45-K48 HydrophobicContact CG-CB 4.31Å; P45-K48 HydrophobicContact CG-CD 4.23Å; S46-K48 PolarHBondContact O-N 3.32Å; K48-I50 PolarHBondContact O-N 3.36Å
49	P	83.2	Confident	81.2	Confident	91 Å²	91	45.8 Å²	45.8	59%	0.591	24%	0.239	S	C	*	.			trans	-69.7	126.6	169.7	29.5	-32.7	0	0	0	109.2	V100	P49-V100 HydrophobicContact CB-CG1 4Å
50	I	85.2	Confident	82	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.3	-177	-62.7	158.5	0	0	0	108.1	P31 L44 P45 K48 L52 I101	P31-I50 HydrophobicContact CB-CG2 3.72Å; L44-I50 HydrophobicContact CB-CD1 3.85Å; L44-I50 HydrophobicContact CD1-CD1 4.02Å; L44-I50 HydrophobicContact CD2-CD1 4.22Å; L44-I50 HydrophobicContact CG-CD1 4.25Å; P45-I50 HydrophobicContact CG-CD1 4.06Å; P45-I50 HydrophobicContact CG-CG1 4.48Å; K48-I50 PolarHBondContact O-N 3.36Å; I50-L52 PolarHBondContact O-N 2.98Å; I50-I101 HydrophobicContact CB-CG1 4.18Å; I50-I101 PolarHBondContact N-O 3.3Å; I50-I101 PolarHBondContact O-N 3.12Å
51	H	87.7	Confident	82.9	Confident	111 Å²	111	41.6 Å²	41.6	51%	0.514	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.6	169.7	-71.5	-90.1	0	0	0	109.1	P31 D32	P31-H51 WeakPolarHBondContact CA-O 3.16Å; D32-H51 HydrophobicContact CB-CB 3.98Å; D32-H51 PolarHBondContact N-O 3.05Å
52	L	88	Confident	83.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	106.9	-170.4	-166.8	81.2	0	0	0	109.5	I29 P31 I50 M54 I65 F67 T98 S99 I101 F159	I29-L52 HydrophobicContact CG2-CD1 3.4Å; I29-L52 HydrophobicContact CG2-CD2 3.86Å; I29-L52 HydrophobicContact CG2-CG 3.39Å; P31-L52 HydrophobicContact CB-CD1 4.01Å; I50-L52 PolarHBondContact O-N 2.98Å; L52-M54 HydrophobicContact CD2-CG 4.29Å; L52-M54 HydrophobicContact CD2-SD 4.37Å; L52-I65 HydrophobicContact CD2-CD1 3.77Å; L52-F67 HydrophobicContact CD2-CZ 4.4Å; L52-T98 CarbonylContact O-C 3.55Å; L52-T98 WeakPolarHBondContact O-CA 3.37Å; L52-S99 WeakPolarHBondContact CB-O 3.38Å; L52-S99 PolarHBondContact N-O 3.38Å; L52-S99 PolarHBondContact O-N 3.05Å; L52-I101 HydrophobicContact CB-CG1 4.34Å; L52-I101 HydrophobicContact CB-CG2 4.39Å; L52-I101 HydrophobicContact CD1-CD1 3.85Å; L52-I101 HydrophobicContact CD1-CG1 4.44Å; L52-I101 HydrophobicContact CD2-CD1 4.05Å; L52-I101 HydrophobicContact CD2-CG1 4.49Å; L52-I101 HydrophobicContact CD2-CG2 3.9Å; L52-I101 HydrophobicContact CG-CD1 4.37Å; L52-F159 HydrophobicContact CD1-CE1 4.19Å; L52-F159 HydrophobicContact CD1-CZ 3.93Å
53	S	88.3	Confident	83.5	Confident	37 Å²	37	41.7 Å²	41.7	26%	0.259	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.5	179.4	-61.4	0	0	0	0	110.2	I29 L30 F55	I29-S53 CarbonylContact C-O 3.54Å; I29-S53 WeakPolarHBondContact CA-O 3.29Å; L30-S53 PolarHBondContact N-O 3.15Å; L30-S53 PolarHBondContact O-N 3.23Å; S53-F55 VanDerWaalsContact O-CE2 3.24Å; S53-F55 WeakPolarHBondContact O-CE2 3.29Å
54	M	86.8	Confident	83.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.7	-178.3	-56.9	177.3	-74.7	0	0	109.8	I29 L52 M59 I65 A89 V96 S97	I29-M54 HydrophobicContact CG1-CG 4.23Å; I29-M54 HydrophobicContact CG2-CG 4.03Å; L52-M54 HydrophobicContact CD2-CG 4.29Å; L52-M54 HydrophobicContact CD2-SD 4.37Å; M54-M59 HydrophobicContact CB-CE 3.84Å; M54-M59 HydrophobicContact CB-SD 4.33Å; M54-I65 HydrophobicContact CE-CD1 4.17Å; M54-I65 HydrophobicContact CE-CG2 3.92Å; M54-I65 HydrophobicContact SD-CD1 3.97Å; M54-I65 HydrophobicContact SD-CG2 3.84Å; M54-A89 HydrophobicContact CE-CB 4.34Å; M54-V96 WeakPolarHBondContact O-CA 3.36Å; M54-S97 WeakPolarHBondContact CB-O 3.48Å; M54-S97 PolarHBondContact N-O 3.49Å; M54-S97 PolarHBondContact O-N 2.89Å
55	F	86.8	Confident	84.1	Confident	86 Å²	86	43.6 Å²	43.6	38%	0.377	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.5	-175.4	-54.2	-86.1	0	0	0	110.8	I26 Y27 G28 L30 S53 F95 V96	I26-F55 CarbonylContact C-O 3.6Å; Y27-F55 PolarHBondContact N-O 2.79Å; G28-F55 PolarHBondContact N-O 3.18Å; G28-F55 PolarHBondContact O-N 2.87Å; L30-F55 HydrophobicContact CB-CE2 3.79Å; S53-F55 VanDerWaalsContact O-CE2 3.24Å; S53-F55 WeakPolarHBondContact O-CE2 3.29Å; F55-F95 WeakPolarHBondContact CA-O 3.36Å; F55-V96 HydrophobicContact CD1-CG1 4.48Å; F55-V96 HydrophobicContact CD1-CG2 4Å; F55-V96 HydrophobicContact CE1-CG1 4.31Å; F55-V96 HydrophobicContact CE1-CG2 4.29Å
56	G	81.9	Confident	84.6	Confident	6 Å²	6	43 Å²	43	6%	0.062	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-149.1	-173.1	0	0	0	0	0	115.5	V25 F95	V25-G56 CarbonylContact O-C 3.48Å; V25-G56 WeakPolarHBondContact O-CA 3.34Å; G56-F95 PolarHBondContact N-O 3.07Å; G56-F95 WeakPolarHBondContact O-CA 3.08Å
57	L	83.2	Confident	85	Confident	35 Å²	35	42.2 Å²	42.2	18%	0.183	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.1	170.7	-66.2	179.2	0	0	0	110	P21 P24 V25 Y27 M59 S94 F95	P21-L57 HydrophobicContact CG-CD1 4.07Å; P24-L57 WeakPolarHBondContact CA-O 3.25Å; V25-L57 PolarHBondContact N-O 2.87Å; V25-L57 VanDerWaalsContact N-O 3.1Å; V25-L57 PolarHBondContact O-N 2.9Å; Y27-L57 HydrophobicContact CE2-CD1 4.39Å; Y27-L57 HydrophobicContact CE2-CG 3.9Å; Y27-L57 VanDerWaalsContact OH-CD1 3.23Å; Y27-L57 WeakPolarHBondContact OH-CD1 3.32Å; L57-M59 VanDerWaalsContact C-N 3.33Å; L57-M59 PolarHBondContact O-N 3.47Å; L57-S94 CarbonylContact C-O 3.53Å; L57-F95 HydrophobicContact CD2-CD1 3.72Å; L57-F95 HydrophobicContact CD2-CE1 3.64Å
58	K	80	Confident	85.4	Confident	63 Å²	63	36.8 Å²	36.8	27%	0.274	19%	0.185	S	C	.	.			trans	58.9	39.5	179.3	-72.4	174.8	167.8	172.8	0	113.3	P21 T22 P24 D60 Y61 S94	P21-K58 PolarHBondContact O-NZ 3.46Å; T22-K58 VanDerWaalsContact C-NZ 3.32Å; T22-K58 PolarHBondContact O-NZ 3.31Å; P24-K58 HydrophobicContact CB-CB 4.27Å; K58-D60 PolarHBondContact O-N 3.32Å; K58-Y61 HydrophobicContact CB-CD2 3.6Å; K58-Y61 HydrophobicContact CB-CE2 4Å; K58-Y61 HydrophobicContact CB-CG 4.35Å; K58-Y61 HydrophobicContact CD-CD2 4.44Å; K58-Y61 HydrophobicContact CD-CE2 4.23Å; K58-Y61 HydrophobicContact CG-CD2 4.01Å; K58-Y61 HydrophobicContact CG-CE2 3.87Å; K58-Y61 WeakPolarHBondContact O-CB 3.41Å; K58-Y61 WeakPolarHBondContact O-CD2 3.45Å; K58-Y61 PolarHBondContact O-N 3.02Å; K58-Y61 VanDerWaalsContact O-N 3.09Å; K58-S94 PolarHBondContact N-O 2.96Å
59	M	82.9	Confident	85.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-56.7	-32.3	176.1	-76.9	-66.3	177.4	0	0	113.1	I26 M54 L57 Y61 I62 S94	I26-M59 HydrophobicContact CB-CE 4.29Å; I26-M59 HydrophobicContact CD1-CE 4.4Å; I26-M59 HydrophobicContact CG1-CE 3.79Å; I26-M59 HydrophobicContact CG2-CE 4.14Å; M54-M59 HydrophobicContact CB-CE 3.84Å; M54-M59 HydrophobicContact CB-SD 4.33Å; L57-M59 VanDerWaalsContact C-N 3.33Å; L57-M59 PolarHBondContact O-N 3.47Å; M59-Y61 PolarHBondContact O-N 2.88Å; M59-I62 PolarHBondContact O-N 2.93Å; M59-I62 HydrophobicContact SD-CD1 3.94Å; M59-S94 PolarHBondContact N-O 3.06Å
60	D	83.2	Confident	85.4	Confident	68 Å²	68	33 Å²	33	36%	0.364	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-55.9	-19.4	176.2	-39	-48.2	0	0	0	114.5	K58 N93 S94	K58-D60 PolarHBondContact O-N 3.32Å; D60-N93 VanDerWaalsContact OD1-C 3.24Å; D60-S94 WeakPolarHBondContact OD1-CA 3.3Å; D60-S94 PolarHBondContact OD1-N 2.86Å; D60-S94 VanDerWaalsContact OD1-N 3.15Å; D60-S94 WeakPolarHBondContact OD2-CA 3.44Å; D60-S94 WeakPolarHBondContact OD2-CB 3.29Å; D60-S94 PolarHBondContact OD2-OG 2.91Å
61	Y	83.7	Confident	85.1	Confident	76 Å²	76	37.6 Å²	37.6	30%	0.298	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-88.2	-8.6	-178.7	-67.2	-110.2	0	0	0	112.6	K58 M59 I119 T120 T122	K58-Y61 HydrophobicContact CB-CD2 3.6Å; K58-Y61 HydrophobicContact CB-CE2 4Å; K58-Y61 HydrophobicContact CB-CG 4.35Å; K58-Y61 HydrophobicContact CD-CD2 4.44Å; K58-Y61 HydrophobicContact CD-CE2 4.23Å; K58-Y61 HydrophobicContact CG-CD2 4.01Å; K58-Y61 HydrophobicContact CG-CE2 3.87Å; K58-Y61 WeakPolarHBondContact O-CB 3.41Å; K58-Y61 WeakPolarHBondContact O-CD2 3.45Å; K58-Y61 PolarHBondContact O-N 3.02Å; K58-Y61 VanDerWaalsContact O-N 3.09Å; M59-Y61 PolarHBondContact O-N 2.88Å; Y61-I119 WeakPolarHBondContact O-CA 3.5Å; Y61-T120 PolarHBondContact O-N 2.94Å; Y61-T120 PolarHBondContact O-OG1 3.35Å; Y61-T122 HydrophobicContact CD1-CG2 3.93Å; Y61-T122 HydrophobicContact CE1-CG2 3.59Å
62	I	84.4	Confident	84.6	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117	177.2	-55.1	176.4	0	0	0	108.1	P24 I26 M59 I65 A89 I117	P24-I62 HydrophobicContact CB-CD1 4.31Å; P24-I62 HydrophobicContact CB-CG1 4.14Å; P24-I62 HydrophobicContact CG-CG1 4.4Å; I26-I62 HydrophobicContact CD1-CD1 3.99Å; I26-I62 HydrophobicContact CG1-CD1 4.3Å; M59-I62 PolarHBondContact O-N 2.93Å; M59-I62 HydrophobicContact SD-CD1 3.94Å; I62-I65 HydrophobicContact CG2-CG2 4.1Å; I62-A89 HydrophobicContact CB-CB 4.5Å; I62-A89 HydrophobicContact CG2-CB 3.88Å; I62-I117 HydrophobicContact CD1-CB 4.41Å; I62-I117 HydrophobicContact CD1-CD1 4.02Å; I62-I117 HydrophobicContact CD1-CG2 4.21Å; I62-I117 HydrophobicContact CG1-CD1 4.35Å; I62-I117 HydrophobicContact CG2-CB 4.13Å; I62-I117 HydrophobicContact CG2-CG2 4.33Å
63	S	86	Confident	84	Confident	33 Å²	33	39.2 Å²	39.2	23%	0.231	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-32	174.1	44.6	0	0	0	0	113.2	A89 R118 T120	S63-A89 PolarHBondContact O-N 3.36Å; S63-R118 PolarHBondContact N-O 3.17Å; S63-T120 WeakPolarHBondContact CB-OG1 3.49Å; S63-T120 PolarHBondContact N-OG1 2.84Å; S63-T120 PolarHBondContact OG-OG1 3.16Å; S63-T120 VanDerWaalsContact OG-OG1 3.09Å
64	H	89.3	Confident	83.2	Confident	47 Å²	47	41.5 Å²	41.5	22%	0.218	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.2	-175.6	-52.4	75.5	0	0	0	110.7	F87 D88 R118 W140	H64-F87 CarbonylContact C-O 3.56Å; H64-F87 WeakPolarHBondContact CA-O 3.46Å; H64-D88 IonicContact CD2-OD1 2.81Å; H64-D88 IonicContact NE2-OD1 2.7Å; H64-R118 HydrophobicContact CB-CB 4.22Å; H64-R118 PolarHBondContact O-N 3.41Å; H64-W140 HydrophobicContact CB-CH2 3.57Å; H64-W140 HydrophobicContact CB-CZ2 4Å; H64-W140 HydrophobicContact CB-CZ3 4.44Å
65	I	90.2	Very high	82.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156.5	167.9	66.6	173.9	0	0	0	111	L52 M54 I62 F67 S86 F87 A89 I101 L115 C116 I117	L52-I65 HydrophobicContact CD2-CD1 3.77Å; M54-I65 HydrophobicContact CE-CD1 4.17Å; M54-I65 HydrophobicContact CE-CG2 3.92Å; M54-I65 HydrophobicContact SD-CD1 3.97Å; M54-I65 HydrophobicContact SD-CG2 3.84Å; I62-I65 HydrophobicContact CG2-CG2 4.1Å; I65-F67 HydrophobicContact CD1-CZ 4.35Å; I65-S86 CarbonylContact O-C 3.49Å; I65-S86 WeakPolarHBondContact O-CA 3.5Å; I65-F87 HydrophobicContact CG1-CB 3.96Å; I65-F87 HydrophobicContact CG1-CD2 4.5Å; I65-F87 PolarHBondContact N-O 3.29Å; I65-F87 PolarHBondContact O-N 3.01Å; I65-A89 HydrophobicContact CG2-CB 4.35Å; I65-I101 HydrophobicContact CD1-CG2 3.79Å; I65-L115 HydrophobicContact CB-CD1 3.93Å; I65-L115 HydrophobicContact CD1-CD1 4.31Å; I65-L115 HydrophobicContact CG2-CD1 4.27Å; I65-C116 WeakPolarHBondContact CA-O 3.35Å; I65-I117 HydrophobicContact CG2-CG2 4.14Å
66	A	88.9	Confident	82.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	173.6	173.1	0	0	0	0	0	108.8	R82 C116 W140	A66-R82 HydrophobicContact CB-CB 4.44Å; A66-R82 HydrophobicContact CB-CG 4Å; A66-C116 HydrophobicContact CB-CB 4.35Å; A66-C116 PolarHBondContact N-O 2.83Å; A66-C116 WeakPolarHBondContact O-CA 3.49Å; A66-C116 WeakPolarHBondContact O-CB 3.38Å; A66-C116 PolarHBondContact O-N 3Å; A66-C116 VanDerWaalsContact O-O 3.12Å; A66-W140 HydrophobicContact CB-CE3 4.19Å; A66-W140 HydrophobicContact CB-CH2 3.7Å; A66-W140 HydrophobicContact CB-CZ3 3.48Å; A66-W140 VanDerWaalsContact CB-CZ3 3.48Å
67	F	89	Confident	82.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.1	178.8	-58.2	-90.4	0	0	0	111.9	L52 I65 V83 T84 F87 I101 L103 F113 F114 L115 F159	L52-F67 HydrophobicContact CD2-CZ 4.4Å; I65-F67 HydrophobicContact CD1-CZ 4.35Å; F67-V83 PolarHBondContact O-N 3.4Å; F67-T84 HydrophobicContact CB-CG2 3.99Å; F67-T84 HydrophobicContact CD2-CG2 4.12Å; F67-T84 PolarHBondContact N-OG1 3.48Å; F67-T84 PolarHBondContact O-N 3.31Å; F67-F87 HydrophobicContact CD2-CD2 4.34Å; F67-F87 AromaticContact CD2-CE2 3.97Å; F67-F87 HydrophobicContact CD2-CE2 3.97Å; F67-F87 HydrophobicContact CE2-CD2 4.02Å; F67-F87 AromaticContact CE2-CE2 3.94Å; F67-F87 HydrophobicContact CE2-CE2 3.94Å; F67-I101 HydrophobicContact CE2-CB 4.36Å; F67-I101 HydrophobicContact CE2-CD1 4.26Å; F67-I101 HydrophobicContact CE2-CG2 3.94Å; F67-I101 HydrophobicContact CZ-CD1 3.98Å; F67-I101 HydrophobicContact CZ-CG2 4.2Å; F67-L103 HydrophobicContact CB-CD2 4.46Å; F67-L103 HydrophobicContact CD2-CD2 3.47Å; F67-L103 VanDerWaalsContact CD2-CD2 3.47Å; F67-L103 HydrophobicContact CE2-CD2 3.76Å; F67-L103 HydrophobicContact CG-CD2 3.89Å; F67-L103 HydrophobicContact CZ-CD2 4.4Å; F67-F113 HydrophobicContact CB-CB 3.94Å; F67-F113 HydrophobicContact CB-CD1 3.86Å; F67-F113 HydrophobicContact CB-CG 4.25Å; F67-F113 HydrophobicContact CD1-CB 4.06Å; F67-F113 HydrophobicContact CG-CB 4.22Å; F67-F114 VanDerWaalsContact CA-O 3.31Å; F67-F114 WeakPolarHBondContact CA-O 3.46Å; F67-L115 HydrophobicContact CD1-CD1 4.25Å; F67-L115 HydrophobicContact CE1-CB 4.41Å; F67-L115 HydrophobicContact CE1-CD1 3.62Å; F67-L115 HydrophobicContact CZ-CD1 3.86Å; F67-F159 HydrophobicContact CD1-CD2 4.28Å; F67-F159 AromaticContact CE1-CD2 3.67Å; F67-F159 HydrophobicContact CE1-CD2 3.67Å; F67-F159 AromaticContact CE1-CE2 3.77Å; F67-F159 HydrophobicContact CE1-CE2 3.77Å; F67-F159 HydrophobicContact CZ-CD2 4.49Å; F67-F159 HydrophobicContact CZ-CE2 4.43Å
68	A	86.6	Confident	82.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	154.5	171.9	0	0	0	0	0	110.1	E81 F114 F142	A68-E81 VanDerWaalsContact CA-O 3.28Å; A68-E81 WeakPolarHBondContact CA-O 3.39Å; A68-E81 HydrophobicContact CB-CB 4.24Å; A68-E81 WeakPolarHBondContact CB-O 3.03Å; A68-F114 PolarHBondContact N-O 3.16Å; A68-F114 PolarHBondContact O-N 2.82Å; A68-F142 HydrophobicContact CB-CE1 3.84Å; A68-F142 HydrophobicContact CB-CZ 3.58Å
69	S	80.9	Confident	82.6	Confident	24 Å²	24	42.3 Å²	42.3	17%	0.168	22%	0.218	C	C	.	.	S	Bend	trans	-98.1	-7	179.7	56.3	0	0	0	0	115	V83 E110	S69-V83 WeakPolarHBondContact OG-CG2 3.41Å; S69-E110 WeakPolarHBondContact CB-OE1 3.38Å; S69-E110 PolarHBondContact OG-OE1 3.23Å
70	I	80.7	Confident	82.5	Confident	103 Å²	103	51 Å²	51	53%	0.528	26%	0.259	S	S	.	.	S	Bend	trans	-108.1	131	176.3	-57.2	176	0	0	0	108.2	F142	I70-F142 VanDerWaalsContact O-CE1 3.32Å; I70-F142 WeakPolarHBondContact O-CE1 3.11Å; I70-F142 WeakPolarHBondContact O-CZ 3.38Å
71	K	78.6	Confident	82.4	Confident	97 Å²	97	50.3 Å²	50.3	42%	0.422	25%	0.253	S	S	.	.			trans	-77.7	129.4	173	-172.8	172.2	-176.6	168.5	0	110.4	F114 D154	K71-F114 HydrophobicContact CB-CD1 4.22Å; K71-F114 HydrophobicContact CB-CD2 4.22Å; K71-F114 HydrophobicContact CB-CE1 3.92Å; K71-F114 HydrophobicContact CB-CE2 3.93Å; K71-F114 HydrophobicContact CB-CG 4.37Å; K71-F114 HydrophobicContact CB-CZ 3.77Å; K71-F114 HydrophobicContact CD-CD1 4.49Å; K71-F114 HydrophobicContact CD-CE1 4.08Å; K71-F114 HydrophobicContact CG-CD1 4.3Å; K71-F114 HydrophobicContact CG-CE1 4.19Å; K71-D154 IonicContact NZ-OD1 3.01Å; K71-D154 PolarHBondContact NZ-OD1 3.5Å; K71-D154 IonicContact NZ-OD2 3.81Å; K71-D154 PolarHBondContact NZ-OD2 2.82Å
72	K	78	Confident	82.4	Confident	64 Å²	64	50.3 Å²	50.3	28%	0.278	25%	0.252	S	S	.	.			trans	-121.4	164.3	164.8	-80.8	-169.2	178.3	152.5	0	111.2	S76 S77 E81 F142	K72-S76 WeakPolarHBondContact CB-OG 3.38Å; K72-S76 WeakPolarHBondContact CD-OG 3.44Å; K72-S77 PolarHBondContact NZ-O 2.76Å; K72-S77 VanDerWaalsContact NZ-O 3.08Å; K72-E81 WeakPolarHBondContact CD-OE2 3.45Å; K72-E81 VanDerWaalsContact CE-CD 3.5Å; K72-E81 WeakPolarHBondContact CE-OE1 3.38Å; K72-E81 WeakPolarHBondContact CE-OE2 3.26Å; K72-E81 IonicContact NZ-OE1 3.34Å; K72-E81 PolarHBondContact NZ-OE1 3.48Å; K72-E81 IonicContact NZ-OE2 2.6Å; K72-E81 PolarHBondContact NZ-OE2 3.48Å; K72-F142 HydrophobicContact CB-CD2 3.65Å; K72-F142 HydrophobicContact CB-CE2 3.64Å; K72-F142 HydrophobicContact CB-CG 4.16Å; K72-F142 HydrophobicContact CB-CZ 4.13Å; K72-F142 HydrophobicContact CD-CD2 4.14Å; K72-F142 HydrophobicContact CD-CE2 3.78Å; K72-F142 HydrophobicContact CG-CD2 4.34Å; K72-F142 HydrophobicContact CG-CE2 3.91Å; K72-F142 HydrophobicContact CG-CZ 4.41Å
73	P	73.9	Confident	82.4	Confident	82 Å²	82	52.3 Å²	52.3	53%	0.532	27%	0.265	S	S	.	.			trans	-62.9	159.7	169.2	27.7	-37.1	0	0	0	112.9	S76	P73-S76 WeakPolarHBondContact O-CB 3.16Å; P73-S76 PolarHBondContact O-N 2.89Å; P73-S76 PolarHBondContact O-OG 3.36Å
74	R	72.3	Confident	82.3	Confident	84 Å²	84	51.5 Å²	51.5	32%	0.317	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	146.4	175.8	-170.9	159.9	162.1	-167.1	-7.1	114.5	E23 S76 G144 D145	E23-R74 IonicContact OE2-NH2 3.88Å; R74-S76 PolarHBondContact O-N 3.24Å; R74-G144 WeakPolarHBondContact CA-O 3.48Å; R74-G144 WeakPolarHBondContact CB-O 3.35Å; R74-G144 VanDerWaalsContact CG-O 3.31Å; R74-G144 WeakPolarHBondContact CG-O 3.42Å; R74-D145 VanDerWaalsContact CD-OD1 3.24Å; R74-D145 WeakPolarHBondContact CD-OD1 3.35Å; R74-D145 IonicContact NH1-OD1 3.72Å; R74-D145 PolarHBondContact NH1-OD1 2.88Å
75	N	74.4	Confident	82.1	Confident	62 Å²	62	55.9 Å²	55.9	33%	0.332	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	1.8	176.5	-63.5	4.9	0	0	0	115.4	E23 F142	E23-N75 PolarHBondContact OE1-ND2 3.07Å; E23-N75 PolarHBondContact OE2-ND2 2.77Å; N75-F142 PolarHBondContact N-O 2.93Å; N75-F142 VanDerWaalsContact N-O 3.16Å
76	S	81.9	Confident	81.9	Confident	29 Å²	29	58.5 Å²	58.5	20%	0.203	30%	0.302	C	S	.	.			trans	-67.8	145.6	170.3	66.8	0	0	0	0	110.6	K72 P73 R74 C78 I141 F142	K72-S76 WeakPolarHBondContact CB-OG 3.38Å; K72-S76 WeakPolarHBondContact CD-OG 3.44Å; P73-S76 WeakPolarHBondContact O-CB 3.16Å; P73-S76 PolarHBondContact O-N 2.89Å; P73-S76 PolarHBondContact O-OG 3.36Å; R74-S76 PolarHBondContact O-N 3.24Å; S76-C78 PolarHBondContact O-N 3.1Å; S76-I141 WeakPolarHBondContact O-CA 3.42Å; S76-F142 PolarHBondContact O-N 2.83Å; S76-F142 WeakPolarHBondContact OG-CD2 3.34Å
77	S	83.2	Confident	81.9	Confident	57 Å²	57	59.6 Å²	59.6	40%	0.399	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-68.5	130.5	177.7	-176.2	0	0	0	0	110.9	K72 E79 W140	K72-S77 PolarHBondContact NZ-O 2.76Å; K72-S77 VanDerWaalsContact NZ-O 3.08Å; S77-E79 PolarHBondContact OG-N 3.32Å; S77-W140 WeakPolarHBondContact CA-O 3.27Å
78	C	82.9	Confident	81.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.333	C	S	.	.			trans	-111.6	12.6	174.7	82.8	0	0	0	0	113.3	S76 H80 E81 R82 C116 W140 F142	S76-C78 PolarHBondContact O-N 3.1Å; C78-H80 PolarHBondContact O-N 3.18Å; C78-E81 PolarHBondContact O-N 2.89Å; C78-R82 PolarHBondContact O-N 3.25Å; C78-C116 HydrophobicContact CB-CB 4.45Å; C78-C116 WeakPolarHBondContact CB-SG 3.45Å; C78-C116 WeakPolarHBondContact SG-CB 3.46Å; C78-C116 CovalentContact SG-SG 2.03Å; C78-C116 PolarHBondContact SG-SG 2.89Å; C78-W140 PolarHBondContact N-O 3.49Å; C78-F142 HydrophobicContact CB-CD2 3.42Å; C78-F142 VanDerWaalsContact CB-CD2 3.42Å; C78-F142 HydrophobicContact CB-CE2 3.18Å; C78-F142 HydrophobicContact CB-CG 4.27Å; C78-F142 HydrophobicContact CB-CZ 3.89Å
79	E	82.8	Confident	81.9	Confident	60 Å²	60	65 Å²	65	28%	0.28	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-41.1	-173	-167	62.5	-105.5	0	0	113.7	S77 R82 W140	S77-E79 PolarHBondContact OG-N 3.32Å; E79-R82 IonicContact OE1-CZ 2.7Å; E79-R82 IonicContact OE1-NE 2.79Å; E79-R82 IonicContact OE1-NH2 2.72Å; E79-R82 PolarHBondContact OE1-NH2 2.86Å; E79-W140 VanDerWaalsContact OE2-CD1 3.32Å
80	H	81.9	Confident	82.2	Confident	183 Å²	183	69.1 Å²	69.1	85%	0.847	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	3.5	-176	-52.5	-48.4	0	0	0	114.5	C78	C78-H80 PolarHBondContact O-N 3.18Å
81	E	80.7	Confident	82.3	Confident	53 Å²	53	67.2 Å²	67.2	25%	0.248	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-0.1	-174.2	-73.3	160.1	177.2	0	0	113.1	A68 K72 C78 V83 F142	A68-E81 VanDerWaalsContact CA-O 3.28Å; A68-E81 WeakPolarHBondContact CA-O 3.39Å; A68-E81 HydrophobicContact CB-CB 4.24Å; A68-E81 WeakPolarHBondContact CB-O 3.03Å; K72-E81 WeakPolarHBondContact CD-OE2 3.45Å; K72-E81 VanDerWaalsContact CE-CD 3.5Å; K72-E81 WeakPolarHBondContact CE-OE1 3.38Å; K72-E81 WeakPolarHBondContact CE-OE2 3.26Å; K72-E81 IonicContact NZ-OE1 3.34Å; K72-E81 PolarHBondContact NZ-OE1 3.48Å; K72-E81 IonicContact NZ-OE2 2.6Å; K72-E81 PolarHBondContact NZ-OE2 3.48Å; C78-E81 PolarHBondContact O-N 2.89Å; E81-V83 PolarHBondContact O-N 2.84Å; E81-F142 WeakPolarHBondContact OE2-CE2 3.44Å
82	R	84.1	Confident	82.5	Confident	75 Å²	75	68.7 Å²	68.7	28%	0.283	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-65.3	122.6	173.7	-67.1	-179.7	-66.9	118.7	-9.7	110	A66 C78 E79 C116 W140	A66-R82 HydrophobicContact CB-CB 4.44Å; A66-R82 HydrophobicContact CB-CG 4Å; C78-R82 PolarHBondContact O-N 3.25Å; E79-R82 IonicContact OE1-CZ 2.7Å; E79-R82 IonicContact OE1-NE 2.79Å; E79-R82 IonicContact OE1-NH2 2.72Å; E79-R82 PolarHBondContact OE1-NH2 2.86Å; R82-C116 HydrophobicContact CG-CB 4.44Å; R82-W140 VanDerWaalsContact CD-CD2 3.45Å
83	V	83.4	Confident	82.8	Confident	45 Å²	45	68.7 Å²	68.7	27%	0.273	36%	0.362	S	S	.	.			trans	-96.7	-23.7	179.6	172.3	0	0	0	0	111.8	F67 S69 E81 F113	F67-V83 PolarHBondContact O-N 3.4Å; S69-V83 WeakPolarHBondContact OG-CG2 3.41Å; E81-V83 PolarHBondContact O-N 2.84Å; V83-F113 HydrophobicContact CG1-CE1 4Å
84	T	84.7	Confident	83.3	Confident	16 Å²	16	67.2 Å²	67.2	10%	0.098	35%	0.354	C	S	.	.	S	Bend	trans	-102.2	159.6	173.8	69	0	0	0	0	111.3	F67 F87 L103 F113	F67-T84 HydrophobicContact CB-CG2 3.99Å; F67-T84 HydrophobicContact CD2-CG2 4.12Å; F67-T84 PolarHBondContact N-OG1 3.48Å; F67-T84 PolarHBondContact O-N 3.31Å; T84-F87 HydrophobicContact CG2-CE2 4.24Å; T84-L103 HydrophobicContact CG2-CD2 4.08Å; T84-F113 HydrophobicContact CG2-CE1 4.44Å
85	N	84.6	Confident	83.9	Confident	140 Å²	140	69.1 Å²	69.1	75%	0.749	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-57.6	163.7	157.1	-68.7	-18.7	0	0	0	110.4
86	S	86.9	Confident	84.5	Confident	54 Å²	54	67.3 Å²	67.3	38%	0.378	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-71.1	129.4	167.9	48	0	0	0	0	110.5	I65	I65-S86 CarbonylContact O-C 3.49Å; I65-S86 WeakPolarHBondContact O-CA 3.5Å
87	F	89.3	Confident	84.7	Confident	24 Å²	24	66 Å²	66	11%	0.105	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.6	165.7	-52.5	-82.7	0	0	0	108.6	H64 I65 F67 T84 V100 I101 S102	H64-F87 CarbonylContact C-O 3.56Å; H64-F87 WeakPolarHBondContact CA-O 3.46Å; I65-F87 HydrophobicContact CG1-CB 3.96Å; I65-F87 HydrophobicContact CG1-CD2 4.5Å; I65-F87 PolarHBondContact N-O 3.29Å; I65-F87 PolarHBondContact O-N 3.01Å; F67-F87 HydrophobicContact CD2-CD2 4.34Å; F67-F87 AromaticContact CD2-CE2 3.97Å; F67-F87 HydrophobicContact CD2-CE2 3.97Å; F67-F87 HydrophobicContact CE2-CD2 4.02Å; F67-F87 AromaticContact CE2-CE2 3.94Å; F67-F87 HydrophobicContact CE2-CE2 3.94Å; T84-F87 HydrophobicContact CG2-CE2 4.24Å; F87-V100 WeakPolarHBondContact CD1-O 3.49Å; F87-I101 HydrophobicContact CB-CG2 4.28Å; F87-I101 HydrophobicContact CD1-CB 4.49Å; F87-I101 HydrophobicContact CD1-CG2 4.48Å; F87-I101 HydrophobicContact CD2-CB 4.35Å; F87-I101 HydrophobicContact CD2-CG2 3.94Å; F87-I101 HydrophobicContact CE2-CB 4.37Å; F87-I101 HydrophobicContact CE2-CG2 4.41Å; F87-I101 HydrophobicContact CG-CB 4.41Å; F87-I101 HydrophobicContact CG-CG2 3.98Å; F87-I101 HydrophobicContact CZ-CB 4.45Å; F87-S102 VanDerWaalsContact CE1-N 3.31Å; F87-S102 WeakPolarHBondContact CZ-O 3.02Å
88	D	88.3	Confident	85	Confident	105 Å²	105	64.7 Å²	64.7	56%	0.561	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	135.8	-179.5	-58	-28.5	0	0	0	110.2	H64 S99	H64-D88 IonicContact CD2-OD1 2.81Å; H64-D88 IonicContact NE2-OD1 2.7Å; D88-S99 WeakPolarHBondContact O-CB 3.42Å; D88-S99 PolarHBondContact O-OG 3.26Å
89	A	86.5	Confident	85.3	Confident	8 Å²	8	64.8 Å²	64.8	7%	0.066	34%	0.336	C	S	.	.			trans	-98	114	172.3	0	0	0	0	0	108.3	M54 I62 S63 I65 P91	M54-A89 HydrophobicContact CE-CB 4.34Å; I62-A89 HydrophobicContact CB-CB 4.5Å; I62-A89 HydrophobicContact CG2-CB 3.88Å; S63-A89 PolarHBondContact O-N 3.36Å; I65-A89 HydrophobicContact CG2-CB 4.35Å; A89-P91 VanDerWaalsContact O-CD 3.27Å; A89-P91 WeakPolarHBondContact O-CD 3.49Å
90	L	87.9	Confident	85.6	Confident	110 Å²	110	65.2 Å²	65.2	58%	0.576	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	106	177.5	-67.9	163.4	0	0	0	107.8	E92 S97 T98	L90-E92 PolarHBondContact O-N 3.42Å; L90-S97 VanDerWaalsContact C-OG 3.27Å; L90-S97 PolarHBondContact N-OG 3.35Å; L90-S97 CarbonylContact O-C 3.57Å; L90-S97 WeakPolarHBondContact O-CA 3.45Å; L90-S97 WeakPolarHBondContact O-CB 3.39Å; L90-S97 PolarHBondContact O-OG 3.01Å; L90-T98 PolarHBondContact N-O 3.33Å; L90-T98 PolarHBondContact O-N 3.47Å
91	P	82.1	Confident	85.9	Confident	63 Å²	63	56.5 Å²	56.5	41%	0.409	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	122.4	173.9	28.3	-33	0	0	0	109.7	A89	A89-P91 VanDerWaalsContact O-CD 3.27Å; A89-P91 WeakPolarHBondContact O-CD 3.49Å
92	E	83	Confident	86.2	Confident	128 Å²	128	57 Å²	57	60%	0.598	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	-32.4	166.4	-64.7	-171.6	165	0	0	110.6	L90 V96 T98	L90-E92 PolarHBondContact O-N 3.42Å; E92-V96 HydrophobicContact CB-CB 4.49Å; E92-V96 PolarHBondContact N-O 3.03Å; E92-T98 HydrophobicContact CG-CG2 4.31Å; E92-T98 WeakPolarHBondContact OE1-CG2 3.17Å
93	N	84.8	Confident	86.2	Confident	64 Å²	64	53.4 Å²	53.4	34%	0.342	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	174.3	176.6	57.3	81.4	0	0	0	109.7	D60 F95 V96	D60-N93 VanDerWaalsContact OD1-C 3.24Å; N93-F95 PolarHBondContact O-N 3.42Å; N93-F95 WeakPolarHBondContact OD1-CA 3.37Å; N93-F95 WeakPolarHBondContact OD1-CB 3.45Å; N93-F95 PolarHBondContact OD1-N 3.04Å; N93-V96 PolarHBondContact N-O 3.35Å; N93-V96 CarbonylContact O-C 3.57Å; N93-V96 PolarHBondContact O-N 3.31Å; N93-V96 PolarHBondContact OD1-N 2.91Å
94	S	84	Confident	86.3	Confident	52 Å²	52	55.5 Å²	55.5	36%	0.364	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-11.1	-178.1	-48.5	0	0	0	0	116.5	L57 K58 M59 D60	L57-S94 CarbonylContact C-O 3.53Å; K58-S94 PolarHBondContact N-O 2.96Å; M59-S94 PolarHBondContact N-O 3.06Å; D60-S94 WeakPolarHBondContact OD1-CA 3.3Å; D60-S94 PolarHBondContact OD1-N 2.86Å; D60-S94 VanDerWaalsContact OD1-N 3.15Å; D60-S94 WeakPolarHBondContact OD2-CA 3.44Å; D60-S94 WeakPolarHBondContact OD2-CB 3.29Å; D60-S94 PolarHBondContact OD2-OG 2.91Å
95	F	84.1	Confident	86.1	Confident	123 Å²	123	59.7 Å²	59.7	54%	0.539	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-16.9	179.6	-50.8	-87.3	0	0	0	113.8	F55 G56 L57 N93	F55-F95 WeakPolarHBondContact CA-O 3.36Å; G56-F95 PolarHBondContact N-O 3.07Å; G56-F95 WeakPolarHBondContact O-CA 3.08Å; L57-F95 HydrophobicContact CD2-CD1 3.72Å; L57-F95 HydrophobicContact CD2-CE1 3.64Å; N93-F95 PolarHBondContact O-N 3.42Å; N93-F95 WeakPolarHBondContact OD1-CA 3.37Å; N93-F95 WeakPolarHBondContact OD1-CB 3.45Å; N93-F95 PolarHBondContact OD1-N 3.04Å
96	V	86.5	Confident	85.8	Confident	25 Å²	25	54.3 Å²	54.3	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	125.8	-172.7	-172.9	0	0	0	0	111	M54 F55 E92 N93	M54-V96 WeakPolarHBondContact O-CA 3.36Å; F55-V96 HydrophobicContact CD1-CG1 4.48Å; F55-V96 HydrophobicContact CD1-CG2 4Å; F55-V96 HydrophobicContact CE1-CG1 4.31Å; F55-V96 HydrophobicContact CE1-CG2 4.29Å; E92-V96 HydrophobicContact CB-CB 4.49Å; E92-V96 PolarHBondContact N-O 3.03Å; N93-V96 PolarHBondContact N-O 3.35Å; N93-V96 CarbonylContact O-C 3.57Å; N93-V96 PolarHBondContact O-N 3.31Å; N93-V96 PolarHBondContact OD1-N 2.91Å
97	S	86.9	Confident	85.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.2	165.3	172.8	0	0	0	0	110.4	M54 L90	M54-S97 WeakPolarHBondContact CB-O 3.48Å; M54-S97 PolarHBondContact N-O 3.49Å; M54-S97 PolarHBondContact O-N 2.89Å; L90-S97 VanDerWaalsContact C-OG 3.27Å; L90-S97 PolarHBondContact N-OG 3.35Å; L90-S97 CarbonylContact O-C 3.57Å; L90-S97 WeakPolarHBondContact O-CA 3.45Å; L90-S97 WeakPolarHBondContact O-CB 3.39Å; L90-S97 PolarHBondContact O-OG 3.01Å
98	T	89.9	Confident	84.4	Confident	30 Å²	30	61.5 Å²	61.5	18%	0.184	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	148.8	172.1	53.7	0	0	0	0	110.5	L52 L90 E92	L52-T98 CarbonylContact O-C 3.55Å; L52-T98 WeakPolarHBondContact O-CA 3.37Å; L90-T98 PolarHBondContact N-O 3.33Å; L90-T98 PolarHBondContact O-N 3.47Å; E92-T98 HydrophobicContact CG-CG2 4.31Å; E92-T98 WeakPolarHBondContact OE1-CG2 3.17Å
99	S	88.8	Confident	83.8	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.014	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.5	171.5	-169.4	0	0	0	0	109.6	L52 D88	L52-S99 WeakPolarHBondContact CB-O 3.38Å; L52-S99 PolarHBondContact N-O 3.38Å; L52-S99 PolarHBondContact O-N 3.05Å; D88-S99 WeakPolarHBondContact O-CB 3.42Å; D88-S99 PolarHBondContact O-OG 3.26Å
100	V	90.1	Very high	83.4	Confident	69 Å²	69	64.8 Å²	64.8	42%	0.418	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	105	173.7	-178	0	0	0	0	107.7	P49 F87	P49-V100 HydrophobicContact CB-CG1 4Å; F87-V100 WeakPolarHBondContact CD1-O 3.49Å
101	I	88.1	Confident	83	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	149.4	-177.2	67.3	166.8	0	0	0	111.5	L44 I50 L52 I65 F67 F87 L103	L44-I101 HydrophobicContact CD1-CD1 4.02Å; I50-I101 HydrophobicContact CB-CG1 4.18Å; I50-I101 PolarHBondContact N-O 3.3Å; I50-I101 PolarHBondContact O-N 3.12Å; L52-I101 HydrophobicContact CB-CG1 4.34Å; L52-I101 HydrophobicContact CB-CG2 4.39Å; L52-I101 HydrophobicContact CD1-CD1 3.85Å; L52-I101 HydrophobicContact CD1-CG1 4.44Å; L52-I101 HydrophobicContact CD2-CD1 4.05Å; L52-I101 HydrophobicContact CD2-CG1 4.49Å; L52-I101 HydrophobicContact CD2-CG2 3.9Å; L52-I101 HydrophobicContact CG-CD1 4.37Å; I65-I101 HydrophobicContact CD1-CG2 3.79Å; F67-I101 HydrophobicContact CE2-CB 4.36Å; F67-I101 HydrophobicContact CE2-CD1 4.26Å; F67-I101 HydrophobicContact CE2-CG2 3.94Å; F67-I101 HydrophobicContact CZ-CD1 3.98Å; F67-I101 HydrophobicContact CZ-CG2 4.2Å; F87-I101 HydrophobicContact CB-CG2 4.28Å; F87-I101 HydrophobicContact CD1-CB 4.49Å; F87-I101 HydrophobicContact CD1-CG2 4.48Å; F87-I101 HydrophobicContact CD2-CB 4.35Å; F87-I101 HydrophobicContact CD2-CG2 3.94Å; F87-I101 HydrophobicContact CE2-CB 4.37Å; F87-I101 HydrophobicContact CE2-CG2 4.41Å; F87-I101 HydrophobicContact CG-CB 4.41Å; F87-I101 HydrophobicContact CG-CG2 3.98Å; F87-I101 HydrophobicContact CZ-CB 4.45Å; I101-L103 HydrophobicContact CD1-CD1 4.18Å; I101-L103 HydrophobicContact CD1-CD2 4.47Å; I101-L103 HydrophobicContact CD1-CG 4.07Å
102	S	86.3	Confident	83	Confident	63 Å²	63	61.1 Å²	61.1	44%	0.441	33%	0.328	S	S	.	.			trans	-134.3	96.2	169.2	50.4	0	0	0	0	109.3	F87	F87-S102 VanDerWaalsContact CE1-N 3.31Å; F87-S102 WeakPolarHBondContact CZ-O 3.02Å
103	L	84.3	Confident	83.2	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-81.1	131.3	-179.1	-62.3	-179.5	0	0	0	110.6	L44 N47 F67 T84 I101 F113 F159 T161	L44-L103 HydrophobicContact CD1-CD1 3.84Å; N47-L103 PolarHBondContact N-O 3.05Å; F67-L103 HydrophobicContact CB-CD2 4.46Å; F67-L103 HydrophobicContact CD2-CD2 3.47Å; F67-L103 VanDerWaalsContact CD2-CD2 3.47Å; F67-L103 HydrophobicContact CE2-CD2 3.76Å; F67-L103 HydrophobicContact CG-CD2 3.89Å; F67-L103 HydrophobicContact CZ-CD2 4.4Å; T84-L103 HydrophobicContact CG2-CD2 4.08Å; I101-L103 HydrophobicContact CD1-CD1 4.18Å; I101-L103 HydrophobicContact CD1-CD2 4.47Å; I101-L103 HydrophobicContact CD1-CG 4.07Å; L103-F113 HydrophobicContact CB-CD2 4.32Å; L103-F113 HydrophobicContact CB-CE2 4.08Å; L103-F113 HydrophobicContact CD1-CB 4.47Å; L103-F113 HydrophobicContact CD1-CD2 3.81Å; L103-F113 HydrophobicContact CD1-CE2 4.41Å; L103-F113 HydrophobicContact CD1-CG 4.32Å; L103-F113 HydrophobicContact CD2-CD2 4.32Å; L103-F113 HydrophobicContact CD2-CG 4.31Å; L103-F113 HydrophobicContact CG-CD2 4.39Å; L103-F159 HydrophobicContact CD1-CB 3.89Å; L103-F159 HydrophobicContact CD1-CG 4.42Å; L103-T161 HydrophobicContact CB-CG2 3.59Å; L103-T161 HydrophobicContact CD1-CG2 4.36Å
104	R	84.5	Confident	83.2	Confident	89 Å²	89	53.6 Å²	53.6	34%	0.336	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-66.8	160.7	168.9	72	156.3	173.4	84.4	-7.1	110.8	L106 E110 F113 T161	R104-L106 PolarHBondContact O-N 3.21Å; R104-E110 IonicContact CZ-OE1 3.97Å; R104-E110 IonicContact CZ-OE2 2.71Å; R104-E110 VanDerWaalsContact CZ-OE2 3.3Å; R104-E110 IonicContact NH1-OE1 2.93Å; R104-E110 IonicContact NH1-OE2 3.24Å; R104-E110 PolarHBondContact NH1-OE2 3.19Å; R104-E110 VanDerWaalsContact NH2-CD 3.26Å; R104-E110 IonicContact NH2-OE1 3.68Å; R104-E110 PolarHBondContact NH2-OE1 2.94Å; R104-E110 IonicContact NH2-OE2 3.09Å; R104-E110 PolarHBondContact NH2-OE2 3.17Å; R104-F113 HydrophobicContact CG-CZ 3.99Å; R104-F113 VanDerWaalsContact O-CE2 3.26Å; R104-F113 WeakPolarHBondContact O-CE2 3.13Å; R104-F113 VanDerWaalsContact O-CZ 3.31Å; R104-F113 WeakPolarHBondContact O-CZ 3.39Å; R104-T161 WeakPolarHBondContact O-CG2 3.35Å
105	E	80.4	Confident	83.4	Confident	104 Å²	104	51.2 Å²	51.2	49%	0.486	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-55	130.8	167	-170.5	171.2	153	0	0	111.3	T163	E105-T163 HydrophobicContact CG-CG2 3.86Å; E105-T163 VanDerWaalsContact OE1-CG2 3.28Å; E105-T163 WeakPolarHBondContact OE1-CG2 3.42Å
106	L	79	Confident	83.6	Confident	26 Å²	26	45.3 Å²	45.3	14%	0.136	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-73.3	127.5	178.8	-163	70.5	0	0	0	109.6	R104 E110 F113 R160 T161	R104-L106 PolarHBondContact O-N 3.21Å; L106-E110 HydrophobicContact CD1-CB 3.58Å; L106-E110 VanDerWaalsContact CD2-O 3.26Å; L106-E110 WeakPolarHBondContact CD2-O 3.37Å; L106-E110 HydrophobicContact CG-CB 3.81Å; L106-E110 WeakPolarHBondContact CG-O 3.43Å; L106-F113 HydrophobicContact CB-CE2 4.23Å; L106-F113 HydrophobicContact CD1-CD1 4.35Å; L106-F113 HydrophobicContact CD1-CD2 3.82Å; L106-F113 HydrophobicContact CD1-CE1 4.15Å; L106-F113 HydrophobicContact CD1-CE2 3.59Å; L106-F113 HydrophobicContact CD1-CG 4.19Å; L106-F113 HydrophobicContact CD1-CZ 3.77Å; L106-R160 HydrophobicContact CD2-CG 4.21Å; L106-T161 PolarHBondContact N-OG1 3.32Å; L106-T161 VanDerWaalsContact N-OG1 3.08Å
107	S	76.4	Confident	83.7	Confident	57 Å²	57	44.3 Å²	44.3	40%	0.399	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-82	162.7	-177.6	71.9	0	0	0	0	112.2	N109 E110	S107-N109 PolarHBondContact O-N 3.19Å; S107-E110 VanDerWaalsContact CB-OE2 3.3Å; S107-E110 WeakPolarHBondContact CB-OE2 3.44Å; S107-E110 PolarHBondContact N-OE2 3.02Å; S107-E110 PolarHBondContact O-N 3.13Å; S107-E110 VanDerWaalsContact OG-CD 3.24Å; S107-E110 WeakPolarHBondContact OG-CG 3Å; S107-E110 PolarHBondContact OG-OE2 3.11Å
108	N	69.6	Low	83.7	Confident	172 Å²	172	48.8 Å²	48.8	92%	0.92	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-18.5	-174.6	-64.9	-3.1	0	0	0	115.8
109	N	76.8	Confident	83.3	Confident	156 Å²	156	48.1 Å²	48.1	83%	0.834	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	0.4	179.7	-66.4	-0	0	0	0	113.3	S107	S107-N109 PolarHBondContact O-N 3.19Å
110	E	78.6	Confident	82.6	Confident	26 Å²	26	50.5 Å²	50.5	12%	0.121	27%	0.267	C	S	.	.			trans	-113.9	124.6	-172.3	-60.6	175.2	119.7	0	0	110	S69 R104 L106 S107	S69-E110 WeakPolarHBondContact CB-OE1 3.38Å; S69-E110 PolarHBondContact OG-OE1 3.23Å; R104-E110 IonicContact CZ-OE1 3.97Å; R104-E110 IonicContact CZ-OE2 2.71Å; R104-E110 VanDerWaalsContact CZ-OE2 3.3Å; R104-E110 IonicContact NH1-OE1 2.93Å; R104-E110 IonicContact NH1-OE2 3.24Å; R104-E110 PolarHBondContact NH1-OE2 3.19Å; R104-E110 VanDerWaalsContact NH2-CD 3.26Å; R104-E110 IonicContact NH2-OE1 3.68Å; R104-E110 PolarHBondContact NH2-OE1 2.94Å; R104-E110 IonicContact NH2-OE2 3.09Å; R104-E110 PolarHBondContact NH2-OE2 3.17Å; L106-E110 HydrophobicContact CD1-CB 3.58Å; L106-E110 VanDerWaalsContact CD2-O 3.26Å; L106-E110 WeakPolarHBondContact CD2-O 3.37Å; L106-E110 HydrophobicContact CG-CB 3.81Å; L106-E110 WeakPolarHBondContact CG-O 3.43Å; S107-E110 VanDerWaalsContact CB-OE2 3.3Å; S107-E110 WeakPolarHBondContact CB-OE2 3.44Å; S107-E110 PolarHBondContact N-OE2 3.02Å; S107-E110 PolarHBondContact O-N 3.13Å; S107-E110 VanDerWaalsContact OG-CD 3.24Å; S107-E110 WeakPolarHBondContact OG-CG 3Å; S107-E110 PolarHBondContact OG-OE2 3.11Å
111	V	79.7	Confident	81.2	Confident	96 Å²	96	50.8 Å²	50.8	58%	0.582	27%	0.271	S	S	*	.			trans	-86.7	-38.8	-169.6	-178	0	0	0	0	112.6	R160	V111-R160 PolarHBondContact O-NH2 3.18Å; V111-R160 VanDerWaalsContact O-NH2 3.15Å
112	A	81.7	Confident	79.6	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	29%	0.292	C	S	.	.			trans	-161.6	164.3	175.7	0	0	0	0	0	109.9	I41 F114 F159	I41-A112 HydrophobicContact CD1-CB 4.38Å; I41-A112 HydrophobicContact CG2-CB 4.3Å; A112-F114 HydrophobicContact CB-CE1 4.3Å; A112-F114 HydrophobicContact CB-CE2 4.31Å; A112-F114 HydrophobicContact CB-CZ 3.97Å; A112-F114 WeakPolarHBondContact O-CE2 3.47Å; A112-F159 CarbonylContact C-O 3.57Å; A112-F159 WeakPolarHBondContact CA-O 3.46Å; A112-F159 WeakPolarHBondContact CB-O 3.33Å
113	F	86.4	Confident	77.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.9	163.2	-71.9	-68.4	0	0	0	109.8	F67 V83 T84 L103 R104 L106 S158 F159 T161	F67-F113 HydrophobicContact CB-CB 3.94Å; F67-F113 HydrophobicContact CB-CD1 3.86Å; F67-F113 HydrophobicContact CB-CG 4.25Å; F67-F113 HydrophobicContact CD1-CB 4.06Å; F67-F113 HydrophobicContact CG-CB 4.22Å; V83-F113 HydrophobicContact CG1-CE1 4Å; T84-F113 HydrophobicContact CG2-CE1 4.44Å; L103-F113 HydrophobicContact CB-CD2 4.32Å; L103-F113 HydrophobicContact CB-CE2 4.08Å; L103-F113 HydrophobicContact CD1-CB 4.47Å; L103-F113 HydrophobicContact CD1-CD2 3.81Å; L103-F113 HydrophobicContact CD1-CE2 4.41Å; L103-F113 HydrophobicContact CD1-CG 4.32Å; L103-F113 HydrophobicContact CD2-CD2 4.32Å; L103-F113 HydrophobicContact CD2-CG 4.31Å; L103-F113 HydrophobicContact CG-CD2 4.39Å; R104-F113 HydrophobicContact CG-CZ 3.99Å; R104-F113 VanDerWaalsContact O-CE2 3.26Å; R104-F113 WeakPolarHBondContact O-CE2 3.13Å; R104-F113 VanDerWaalsContact O-CZ 3.31Å; R104-F113 WeakPolarHBondContact O-CZ 3.39Å; L106-F113 HydrophobicContact CB-CE2 4.23Å; L106-F113 HydrophobicContact CD1-CD1 4.35Å; L106-F113 HydrophobicContact CD1-CD2 3.82Å; L106-F113 HydrophobicContact CD1-CE1 4.15Å; L106-F113 HydrophobicContact CD1-CE2 3.59Å; L106-F113 HydrophobicContact CD1-CG 4.19Å; L106-F113 HydrophobicContact CD1-CZ 3.77Å; F113-S158 VanDerWaalsContact O-CA 3.29Å; F113-S158 WeakPolarHBondContact O-CA 3.39Å; F113-F159 HydrophobicContact CB-CB 4.35Å; F113-F159 PolarHBondContact N-O 3.37Å; F113-F159 PolarHBondContact O-N 3.1Å; F113-T161 HydrophobicContact CD2-CG2 4.41Å; F113-T161 HydrophobicContact CE2-CG2 3.91Å
114	F	85.8	Confident	75.2	Confident	33 Å²	33	63.5 Å²	63.5	15%	0.145	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.9	178.5	-58.2	-78.5	0	0	0	110.6	F67 A68 K71 A112 C116 F142	F67-F114 VanDerWaalsContact CA-O 3.31Å; F67-F114 WeakPolarHBondContact CA-O 3.46Å; A68-F114 PolarHBondContact N-O 3.16Å; A68-F114 PolarHBondContact O-N 2.82Å; K71-F114 HydrophobicContact CB-CD1 4.22Å; K71-F114 HydrophobicContact CB-CD2 4.22Å; K71-F114 HydrophobicContact CB-CE1 3.92Å; K71-F114 HydrophobicContact CB-CE2 3.93Å; K71-F114 HydrophobicContact CB-CG 4.37Å; K71-F114 HydrophobicContact CB-CZ 3.77Å; K71-F114 HydrophobicContact CD-CD1 4.49Å; K71-F114 HydrophobicContact CD-CE1 4.08Å; K71-F114 HydrophobicContact CG-CD1 4.3Å; K71-F114 HydrophobicContact CG-CE1 4.19Å; A112-F114 HydrophobicContact CB-CE1 4.3Å; A112-F114 HydrophobicContact CB-CE2 4.31Å; A112-F114 HydrophobicContact CB-CZ 3.97Å; A112-F114 WeakPolarHBondContact O-CE2 3.47Å; F114-C116 PolarHBondContact O-N 3.03Å; F114-F142 HydrophobicContact CB-CD1 4.44Å; F114-F142 HydrophobicContact CB-CE1 3.99Å
115	L	87.9	Confident	72.9	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	125.6	-175.1	-172.6	70.5	0	0	0	113.5	I26 I29 I65 F67 I117 A143 L157	I26-L115 HydrophobicContact CD1-CD2 3.53Å; I29-L115 HydrophobicContact CD1-CD2 3.84Å; I65-L115 HydrophobicContact CB-CD1 3.93Å; I65-L115 HydrophobicContact CD1-CD1 4.31Å; I65-L115 HydrophobicContact CG2-CD1 4.27Å; F67-L115 HydrophobicContact CD1-CD1 4.25Å; F67-L115 HydrophobicContact CE1-CB 4.41Å; F67-L115 HydrophobicContact CE1-CD1 3.62Å; F67-L115 HydrophobicContact CZ-CD1 3.86Å; L115-I117 HydrophobicContact CD2-CG2 3.99Å; L115-I117 HydrophobicContact CG-CG2 4.11Å; L115-A143 HydrophobicContact CB-CB 4.45Å; L115-A143 HydrophobicContact CD2-CB 4.08Å; L115-A143 HydrophobicContact CG-CB 4.29Å; L115-A143 PolarHBondContact O-N 2.79Å; L115-L157 HydrophobicContact CD2-CD2 4.42Å; L115-L157 PolarHBondContact N-O 2.84Å
116	C	87.7	Confident	70.5	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.9	162.8	-78.6	0	0	0	0	110.8	I65 A66 C78 R82 F114 W140 I141	I65-C116 WeakPolarHBondContact CA-O 3.35Å; A66-C116 HydrophobicContact CB-CB 4.35Å; A66-C116 PolarHBondContact N-O 2.83Å; A66-C116 WeakPolarHBondContact O-CA 3.49Å; A66-C116 WeakPolarHBondContact O-CB 3.38Å; A66-C116 PolarHBondContact O-N 3Å; A66-C116 VanDerWaalsContact O-O 3.12Å; C78-C116 HydrophobicContact CB-CB 4.45Å; C78-C116 WeakPolarHBondContact CB-SG 3.45Å; C78-C116 WeakPolarHBondContact SG-CB 3.46Å; C78-C116 CovalentContact SG-SG 2.03Å; C78-C116 PolarHBondContact SG-SG 2.89Å; R82-C116 HydrophobicContact CG-CB 4.44Å; F114-C116 PolarHBondContact O-N 3.03Å; C116-W140 HydrophobicContact CB-CE3 4.04Å; C116-W140 HydrophobicContact CB-CZ3 4.44Å; C116-I141 WeakPolarHBondContact CA-O 3.22Å
117	I	88	Confident	68.5	Low	3 Å²	3	73.6 Å²	73.6	2%	0.015	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.6	176	63.1	177	0	0	0	111	P24 I26 I62 I65 L115 I141 A143	P24-I117 HydrophobicContact CG-CD1 4.26Å; I26-I117 HydrophobicContact CD1-CG2 3.91Å; I62-I117 HydrophobicContact CD1-CB 4.41Å; I62-I117 HydrophobicContact CD1-CD1 4.02Å; I62-I117 HydrophobicContact CD1-CG2 4.21Å; I62-I117 HydrophobicContact CG1-CD1 4.35Å; I62-I117 HydrophobicContact CG2-CB 4.13Å; I62-I117 HydrophobicContact CG2-CG2 4.33Å; I65-I117 HydrophobicContact CG2-CG2 4.14Å; L115-I117 HydrophobicContact CD2-CG2 3.99Å; L115-I117 HydrophobicContact CG-CG2 4.11Å; I117-I141 HydrophobicContact CD1-CD1 4.31Å; I117-I141 HydrophobicContact CD1-CG1 4.32Å; I117-I141 HydrophobicContact CG1-CD1 4.22Å; I117-I141 HydrophobicContact CG1-CG1 3.7Å; I117-I141 PolarHBondContact N-O 3.29Å; I117-I141 PolarHBondContact O-N 3.25Å; I117-A143 HydrophobicContact CD1-CB 4.16Å; I117-A143 HydrophobicContact CG1-CB 4.27Å; I117-A143 HydrophobicContact CG2-CB 4.03Å
118	R	86.6	Confident	66.5	Low	95 Å²	95	78 Å²	78	36%	0.358	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.3	173.3	-163.4	-175.7	-171.3	-167.7	-0.7	110.6	S63 H64 G138 W140	S63-R118 PolarHBondContact N-O 3.17Å; H64-R118 HydrophobicContact CB-CB 4.22Å; H64-R118 PolarHBondContact O-N 3.41Å; R118-G138 PolarHBondContact NE-O 2.89Å; R118-G138 PolarHBondContact NH2-O 3.03Å; R118-W140 HydrophobicContact CB-CD2 3.79Å; R118-W140 HydrophobicContact CB-CE3 3.84Å; R118-W140 HydrophobicContact CB-CG 4.45Å; R118-W140 HydrophobicContact CB-CH2 4Å; R118-W140 HydrophobicContact CB-CZ2 3.93Å; R118-W140 HydrophobicContact CB-CZ3 3.94Å; R118-W140 HydrophobicContact CG-CD2 4.16Å; R118-W140 HydrophobicContact CG-CG 4.41Å; R118-W140 HydrophobicContact CG-CZ2 4.4Å
119	I	82.1	Confident	64.7	Low	16 Å²	16	74.8 Å²	74.8	8%	0.082	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.2	176.2	-58.9	-176.4	0	0	0	109.3	P24 Y61 I136 G138 I141	P24-I119 HydrophobicContact CG-CD1 3.75Å; P24-I119 HydrophobicContact CG-CG1 3.96Å; Y61-I119 WeakPolarHBondContact O-CA 3.5Å; I119-I136 HydrophobicContact CD1-CG2 4.04Å; I119-G138 WeakPolarHBondContact O-CA 3.49Å; I119-G138 PolarHBondContact O-N 3Å; I119-I141 HydrophobicContact CD1-CD1 3.76Å; I119-I141 HydrophobicContact CG1-CD1 4.3Å
120	T	74	Confident	62.5	Low	51 Å²	51	73.9 Å²	73.9	31%	0.313	43%	0.428	S	S	.	.			trans	-71.7	125	173	-52.3	0	0	0	0	109.2	Y61 S63 T122	Y61-T120 PolarHBondContact O-N 2.94Å; Y61-T120 PolarHBondContact O-OG1 3.35Å; S63-T120 WeakPolarHBondContact CB-OG1 3.49Å; S63-T120 PolarHBondContact N-OG1 2.84Å; S63-T120 PolarHBondContact OG-OG1 3.16Å; S63-T120 VanDerWaalsContact OG-OG1 3.09Å; T120-T122 PolarHBondContact O-N 3.11Å
121	P	60.5	Low	60.4	Low	76 Å²	76	76.8 Å²	76.8	49%	0.494	45%	0.452	S	S	.	.			trans	-66	104.9	176.2	27.1	-33.7	0	0	0	109.8	S123 D137	P121-S123 PolarHBondContact O-N 3.43Å; P121-D137 WeakPolarHBondContact CA-OD1 3.34Å; P121-D137 HydrophobicContact CB-CB 4.03Å
122	T	54.7	Low	58	Low	73 Å²	73	80.1 Å²	80.1	45%	0.448	47%	0.466	S	S	.	.			trans	-64.9	116.6	-179.6	19.8	0	0	0	0	110.8	Y61 T120 L124	Y61-T122 HydrophobicContact CD1-CG2 3.93Å; Y61-T122 HydrophobicContact CE1-CG2 3.59Å; T120-T122 PolarHBondContact O-N 3.11Å; T122-L124 HydrophobicContact CG2-CD1 4.42Å; T122-L124 PolarHBondContact O-N 3.34Å
123	S	39.9	Very low	55.7	Low	124 Å²	124	85.3 Å²	85.3	87%	0.867	49%	0.486	S	S	*	.			trans	-75	62.3	172.6	62.1	0	0	0	0	111.8	P121	P121-S123 PolarHBondContact O-N 3.43Å
124	L	38.2	Very low	53.4	Low	134 Å²	134	91.4 Å²	91.4	70%	0.702	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-93.8	147.1	168.6	-101.1	72.8	0	0	0	110.7	T122	T122-L124 HydrophobicContact CG2-CD1 4.42Å; T122-L124 PolarHBondContact O-N 3.34Å
125	P	36.9	Very low	51.5	Low	123 Å²	123	95.1 Å²	95.1	80%	0.799	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-65.2	145.1	177.7	-19.5	32.7	0	0	0	112.3	A127	P125-A127 PolarHBondContact O-N 2.87Å
126	K	30	Very low	50	Low	219 Å²	219	97.8 Å²	97.8	95%	0.952	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-64	120.8	173.6	-67.3	176.6	178.5	177.6	0	110.4
127	A	36.1	Very low	48.5	Very low	89 Å²	89	102.4 Å²	102.4	74%	0.736	58%	0.583	S	S	*	*			trans	-132.7	119.1	164	0	0	0	0	0	109.4	P125	P125-A127 PolarHBondContact O-N 2.87Å
128	D	34.7	Very low	47.5	Very low	150 Å²	150	103.1 Å²	103.1	80%	0.802	59%	0.592	S	S	*	*			trans	43.2	83.9	155.5	-55.8	-16.1	0	0	0	120.5
129	S	31.6	Very low	47	Very low	103 Å²	103	102.1 Å²	102.1	72%	0.72	59%	0.59	S	S	*	*				69.2	147.9	126	74.6	0	0	0	0	121.8
130	T	31.1	Very low	47.1	Very low	137 Å²	137	101.7 Å²	101.7	84%	0.84	59%	0.588	S	S	*	*			trans	70.1	54.4	162.8	63.8	0	0	0	0	119.5
131	S	34.1	Very low	47.6	Very low	88 Å²	88	99.9 Å²	99.9	62%	0.615	58%	0.576	S	S	*	*	S	Bend	trans	-160.4	161.3	138.6	56.7	0	0	0	0	111.7	Y133	S131-Y133 PolarHBondContact O-N 2.89Å
132	N	30	Very low	48.8	Very low	165 Å²	165	96.4 Å²	96.4	88%	0.882	55%	0.553	S	S	*	*			trans	-79.5	43.8	-174.5	-69.7	-13	0	0	0	113.8	T134	N132-T134 PolarHBondContact O-N 3.36Å
133	Y	34.4	Very low	49.9	Very low	111 Å²	111	93.7 Å²	93.7	44%	0.435	54%	0.538	S	S	.	.			trans	-91.1	74	177.3	-91.3	-93.8	0	0	0	111.5	T22 E23 S131 I136	T22-Y133 PolarHBondContact OG1-OH 3.22Å; E23-Y133 PolarHBondContact OE1-OH 3.35Å; S131-Y133 PolarHBondContact O-N 2.89Å; Y133-I136 HydrophobicContact CD1-CD1 4.36Å; Y133-I136 HydrophobicContact CE1-CD1 4.05Å
134	T	37.3	Very low	51.1	Low	128 Å²	128	88.3 Å²	88.3	79%	0.785	50%	0.502	S	S	*	.	S	Bend	trans	-138.2	6.9	172.7	55.9	0	0	0	0	114.5	N132	N132-T134 PolarHBondContact O-N 3.36Å
135	D	46.6	Very low	52	Low	111 Å²	111	84.6 Å²	84.6	59%	0.594	48%	0.483	S	S	*	.	S	Bend	trans	-129.6	14.2	-171.3	-163.3	49.8	0	0	0	114.7	K139	D135-K139 WeakPolarHBondContact O-CD 3.27Å; D135-K139 WeakPolarHBondContact O-CE 3.46Å; D135-K139 PolarHBondContact O-NZ 2.68Å; D135-K139 IonicContact OD1-NZ 2.79Å; D135-K139 PolarHBondContact OD1-NZ 2.76Å; D135-K139 IonicContact OD2-NZ 3.37Å; D135-K139 PolarHBondContact OD2-NZ 3.48Å
136	I	54.9	Low	52.4	Low	57 Å²	57	80.8 Å²	80.8	29%	0.292	47%	0.466	S	S	.	.	S	Bend	trans	-109.4	-26.7	178.1	-54.8	178.3	0	0	0	111.9	I119 Y133 G138 K139	I119-I136 HydrophobicContact CD1-CG2 4.04Å; Y133-I136 HydrophobicContact CD1-CD1 4.36Å; Y133-I136 HydrophobicContact CE1-CD1 4.05Å; I136-G138 PolarHBondContact O-N 2.96Å; I136-K139 PolarHBondContact O-N 3.44Å
137	D	56.6	Low	53.1	Low	97 Å²	97	74.1 Å²	74.1	52%	0.519	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	126.4	-175.5	-86.7	-32.6	0	0	0	113.5	P121 K139	P121-D137 WeakPolarHBondContact CA-OD1 3.34Å; P121-D137 HydrophobicContact CB-CB 4.03Å; D137-K139 PolarHBondContact O-N 3.39Å; D137-K139 VanDerWaalsContact O-N 3.15Å
138	G	68	Low	53.3	Low	19 Å²	19	72.6 Å²	72.6	20%	0.196	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-8	175.2	0	0	0	0	0	116.5	R118 I119 I136	R118-G138 PolarHBondContact NE-O 2.89Å; R118-G138 PolarHBondContact NH2-O 3.03Å; I119-G138 WeakPolarHBondContact O-CA 3.49Å; I119-G138 PolarHBondContact O-N 3Å; I136-G138 PolarHBondContact O-N 2.96Å
139	K	75.3	Confident	53.6	Low	73 Å²	73	71.8 Å²	71.8	32%	0.317	45%	0.453	S	S	.	.			trans	-78.1	158.1	177.1	-64.5	-174.6	-173.5	170.1	0	112.2	D135 I136 D137	D135-K139 WeakPolarHBondContact O-CD 3.27Å; D135-K139 WeakPolarHBondContact O-CE 3.46Å; D135-K139 PolarHBondContact O-NZ 2.68Å; D135-K139 IonicContact OD1-NZ 2.79Å; D135-K139 PolarHBondContact OD1-NZ 2.76Å; D135-K139 IonicContact OD2-NZ 3.37Å; D135-K139 PolarHBondContact OD2-NZ 3.48Å; I136-K139 PolarHBondContact O-N 3.44Å; D137-K139 PolarHBondContact O-N 3.39Å; D137-K139 VanDerWaalsContact O-N 3.15Å
140	W	84.2	Confident	54.3	Low	8 Å²	8	72.9 Å²	72.9	3%	0.03	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.9	170.9	-73.5	88.7	0	0	0	112.3	H64 A66 S77 C78 E79 R82 C116 R118	H64-W140 HydrophobicContact CB-CH2 3.57Å; H64-W140 HydrophobicContact CB-CZ2 4Å; H64-W140 HydrophobicContact CB-CZ3 4.44Å; A66-W140 HydrophobicContact CB-CE3 4.19Å; A66-W140 HydrophobicContact CB-CH2 3.7Å; A66-W140 HydrophobicContact CB-CZ3 3.48Å; A66-W140 VanDerWaalsContact CB-CZ3 3.48Å; S77-W140 WeakPolarHBondContact CA-O 3.27Å; C78-W140 PolarHBondContact N-O 3.49Å; E79-W140 VanDerWaalsContact OE2-CD1 3.32Å; R82-W140 VanDerWaalsContact CD-CD2 3.45Å; C116-W140 HydrophobicContact CB-CE3 4.04Å; C116-W140 HydrophobicContact CB-CZ3 4.44Å; R118-W140 HydrophobicContact CB-CD2 3.79Å; R118-W140 HydrophobicContact CB-CE3 3.84Å; R118-W140 HydrophobicContact CB-CG 4.45Å; R118-W140 HydrophobicContact CB-CH2 4Å; R118-W140 HydrophobicContact CB-CZ2 3.93Å; R118-W140 HydrophobicContact CB-CZ3 3.94Å; R118-W140 HydrophobicContact CG-CD2 4.16Å; R118-W140 HydrophobicContact CG-CG 4.41Å; R118-W140 HydrophobicContact CG-CZ2 4.4Å
141	I	85.7	Confident	55	Low	13 Å²	13	70.1 Å²	70.1	7%	0.067	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.7	-180	62.2	170.1	0	0	0	112.8	S76 C116 I117 I119	S76-I141 WeakPolarHBondContact O-CA 3.42Å; C116-I141 WeakPolarHBondContact CA-O 3.22Å; I117-I141 HydrophobicContact CD1-CD1 4.31Å; I117-I141 HydrophobicContact CD1-CG1 4.32Å; I117-I141 HydrophobicContact CG1-CD1 4.22Å; I117-I141 HydrophobicContact CG1-CG1 3.7Å; I117-I141 PolarHBondContact N-O 3.29Å; I117-I141 PolarHBondContact O-N 3.25Å; I119-I141 HydrophobicContact CD1-CD1 3.76Å; I119-I141 HydrophobicContact CG1-CD1 4.3Å
142	F	83.7	Confident	55.7	Low	3 Å²	3	70.8 Å²	70.8	1%	0.013	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.4	168	-85.2	-85.8	0	0	0	111.8	A68 I70 K72 N75 S76 C78 E81 F114	A68-F142 HydrophobicContact CB-CE1 3.84Å; A68-F142 HydrophobicContact CB-CZ 3.58Å; I70-F142 VanDerWaalsContact O-CE1 3.32Å; I70-F142 WeakPolarHBondContact O-CE1 3.11Å; I70-F142 WeakPolarHBondContact O-CZ 3.38Å; K72-F142 HydrophobicContact CB-CD2 3.65Å; K72-F142 HydrophobicContact CB-CE2 3.64Å; K72-F142 HydrophobicContact CB-CG 4.16Å; K72-F142 HydrophobicContact CB-CZ 4.13Å; K72-F142 HydrophobicContact CD-CD2 4.14Å; K72-F142 HydrophobicContact CD-CE2 3.78Å; K72-F142 HydrophobicContact CG-CD2 4.34Å; K72-F142 HydrophobicContact CG-CE2 3.91Å; K72-F142 HydrophobicContact CG-CZ 4.41Å; N75-F142 PolarHBondContact N-O 2.93Å; N75-F142 VanDerWaalsContact N-O 3.16Å; S76-F142 PolarHBondContact O-N 2.83Å; S76-F142 WeakPolarHBondContact OG-CD2 3.34Å; C78-F142 HydrophobicContact CB-CD2 3.42Å; C78-F142 VanDerWaalsContact CB-CD2 3.42Å; C78-F142 HydrophobicContact CB-CE2 3.18Å; C78-F142 HydrophobicContact CB-CG 4.27Å; C78-F142 HydrophobicContact CB-CZ 3.89Å; E81-F142 WeakPolarHBondContact OE2-CE2 3.44Å; F114-F142 HydrophobicContact CB-CD1 4.44Å; F114-F142 HydrophobicContact CB-CE1 3.99Å
143	A	78.3	Confident	56.6	Low	16 Å²	16	65.4 Å²	65.4	13%	0.132	41%	0.412	C	S	.	.			trans	-91	-10.7	179.5	0	0	0	0	0	114.6	I26 L115 I117 L157	I26-A143 HydrophobicContact CD1-CB 4.31Å; L115-A143 HydrophobicContact CB-CB 4.45Å; L115-A143 HydrophobicContact CD2-CB 4.08Å; L115-A143 HydrophobicContact CG-CB 4.29Å; L115-A143 PolarHBondContact O-N 2.79Å; I117-A143 HydrophobicContact CD1-CB 4.16Å; I117-A143 HydrophobicContact CG1-CB 4.27Å; I117-A143 HydrophobicContact CG2-CB 4.03Å; A143-L157 WeakPolarHBondContact O-CD1 3.47Å
144	G	65.4	Low	57.5	Low	11 Å²	11	62.4 Å²	62.4	11%	0.113	40%	0.404	C	S	.	.	S	Bend	trans	-64.9	163.3	173	0	0	0	0	0	112.6	R74	R74-G144 WeakPolarHBondContact CA-O 3.48Å; R74-G144 WeakPolarHBondContact CB-O 3.35Å; R74-G144 VanDerWaalsContact CG-O 3.31Å; R74-G144 WeakPolarHBondContact CG-O 3.42Å
145	D	56.4	Low	58.3	Low	55 Å²	55	60.3 Å²	60.3	29%	0.294	38%	0.382	S	S	.	.			trans	-92.5	154.2	-173.8	-154.5	18.2	0	0	0	114.2	R74 G147	R74-D145 VanDerWaalsContact CD-OD1 3.24Å; R74-D145 WeakPolarHBondContact CD-OD1 3.35Å; R74-D145 IonicContact NH1-OD1 3.72Å; R74-D145 PolarHBondContact NH1-OD1 2.88Å; D145-G147 PolarHBondContact O-N 2.86Å
146	G	46.7	Very low	58.9	Low	44 Å²	44	61.1 Å²	61.1	45%	0.454	38%	0.377	S	S	.	.			trans	-94.3	52.8	-163.4	0	0	0	0	0	115.4
147	G	43.3	Very low	59.7	Low	78 Å²	78	59.1 Å²	59.1	80%	0.804	37%	0.367	S	S	*	.	S	Bend	trans	73.3	27.6	171.3	0	0	0	0	0	115.7	D145	D145-G147 PolarHBondContact O-N 2.86Å
148	G	42.1	Very low	60.7	Low	57 Å²	57	55.1 Å²	55.1	59%	0.588	35%	0.347	S	S	*	.			trans	-65.9	152.3	164.7	0	0	0	0	0	111.8	D150	G148-D150 PolarHBondContact O-N 2.62Å
149	T	40.6	Very low	61.4	Low	133 Å²	133	54.2 Å²	54.2	82%	0.816	34%	0.337	S	S	*	.	S	Bend	trans	-71.6	-11	178.6	44.8	0	0	0	0	114.2	S151	T149-S151 PolarHBondContact O-N 3.26Å
150	D	45.6	Very low	61.7	Low	126 Å²	126	54.7 Å²	54.7	67%	0.674	34%	0.337	S	S	*	.			trans	-81.9	86.5	-173.6	-68.2	-1	0	0	0	110.3	G148 V152	G148-D150 PolarHBondContact O-N 2.62Å; D150-V152 PolarHBondContact O-N 2.62Å
151	S	45.1	Very low	61.4	Low	80 Å²	80	54.8 Å²	54.8	56%	0.559	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	44.9	-174	50.9	0	0	0	0	114.9	T149 Y155	T149-S151 PolarHBondContact O-N 3.26Å; S151-Y155 VanDerWaalsContact CA-CE2 3.44Å; S151-Y155 WeakPolarHBondContact CA-OH 3.45Å; S151-Y155 VanDerWaalsContact CB-OH 3.29Å; S151-Y155 WeakPolarHBondContact CB-OH 3.44Å; S151-Y155 VanDerWaalsContact O-CE2 3.24Å; S151-Y155 WeakPolarHBondContact O-CE2 3.46Å
152	V	49.1	Very low	60.6	Low	101 Å²	101	56.2 Å²	56.2	61%	0.612	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.4	-20.5	-178.2	-168.8	0	0	0	0	113.5	D150 Y155	D150-V152 PolarHBondContact O-N 2.62Å; V152-Y155 VanDerWaalsContact C-CD2 3.48Å; V152-Y155 VanDerWaalsContact N-CE2 3.31Å
153	S	50.1	Low	59.7	Low	52 Å²	52	59.9 Å²	59.9	36%	0.364	37%	0.371	S	S	.	.	S	Bend	trans	-84.9	-47.4	179.5	57	0	0	0	0	114.1	Y155	S153-Y155 PolarHBondContact O-N 3.21Å
154	D	51.9	Low	59	Low	49 Å²	49	63.7 Å²	63.7	26%	0.262	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	5.4	-173.1	-158.1	25.6	0	0	0	115.7	K71	K71-D154 IonicContact NZ-OD1 3.01Å; K71-D154 PolarHBondContact NZ-OD1 3.5Å; K71-D154 IonicContact NZ-OD2 3.81Å; K71-D154 PolarHBondContact NZ-OD2 2.82Å
155	Y	54.1	Low	58.8	Low	83 Å²	83	70.1 Å²	70.1	33%	0.325	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	10.7	-159.4	-56.3	-92.6	0	0	0	113.3	N40 S151 V152 S153	N40-Y155 HydrophobicContact CB-CD1 3.8Å; N40-Y155 HydrophobicContact CB-CG 4.44Å; S151-Y155 VanDerWaalsContact CA-CE2 3.44Å; S151-Y155 WeakPolarHBondContact CA-OH 3.45Å; S151-Y155 VanDerWaalsContact CB-OH 3.29Å; S151-Y155 WeakPolarHBondContact CB-OH 3.44Å; S151-Y155 VanDerWaalsContact O-CE2 3.24Å; S151-Y155 WeakPolarHBondContact O-CE2 3.46Å; V152-Y155 VanDerWaalsContact C-CD2 3.48Å; V152-Y155 VanDerWaalsContact N-CE2 3.31Å; S153-Y155 PolarHBondContact O-N 3.21Å
156	R	60.3	Low	59.4	Low	129 Å²	129	69.8 Å²	69.8	49%	0.487	42%	0.421	S	S	.	.	S	Bend	trans	-130	10.9	-176.5	-67.4	-170.4	164.5	98.4	0.3	114.5
157	L	71.1	Confident	60.8	Low	14 Å²	14	70.9 Å²	70.9	7%	0.073	42%	0.42	C	S	.	.	S	Bend	trans	-126.2	13.7	-168.7	-58.7	175.1	0	0	0	113.3	I26 I29 L115 A143	I26-L157 HydrophobicContact CB-CD2 4.23Å; I26-L157 HydrophobicContact CG2-CD2 3.75Å; I29-L157 HydrophobicContact CD1-CD2 3.68Å; I29-L157 HydrophobicContact CG1-CD2 3.9Å; L115-L157 HydrophobicContact CD2-CD2 4.42Å; L115-L157 PolarHBondContact N-O 2.84Å; A143-L157 WeakPolarHBondContact O-CD1 3.47Å
158	S	77.6	Confident	62.5	Low	14 Å²	14	72.5 Å²	72.5	10%	0.098	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.4	179.9	76	0	0	0	0	112.7	I42 F113	I42-S158 PolarHBondContact N-O 3.4Å; F113-S158 VanDerWaalsContact O-CA 3.29Å; F113-S158 WeakPolarHBondContact O-CA 3.39Å
159	F	82.9	Confident	64.5	Low	0 Å²	0	78 Å²	78	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.3	-175.1	-58.5	-82.7	0	0	0	111.7	I29 P31 I42 L44 L52 F67 L103 A112 F113	I29-F159 HydrophobicContact CB-CZ 4.09Å; I29-F159 HydrophobicContact CD1-CE2 3.82Å; I29-F159 HydrophobicContact CD1-CZ 3.8Å; I29-F159 HydrophobicContact CG2-CZ 3.92Å; P31-F159 HydrophobicContact CG-CE1 4.44Å; I42-F159 HydrophobicContact CB-CD1 3.86Å; I42-F159 HydrophobicContact CB-CE1 4.05Å; I42-F159 HydrophobicContact CD1-CE1 3.99Å; I42-F159 HydrophobicContact CG2-CD1 4.35Å; I42-F159 HydrophobicContact CG2-CE1 4.42Å; I42-F159 VanDerWaalsContact O-CA 3.31Å; I42-F159 WeakPolarHBondContact O-CA 3.46Å; L44-F159 HydrophobicContact CD1-CB 4.13Å; L44-F159 HydrophobicContact CD1-CD1 3.41Å; L44-F159 VanDerWaalsContact CD1-CD1 3.41Å; L44-F159 HydrophobicContact CD1-CE1 4.04Å; L44-F159 HydrophobicContact CD1-CG 3.93Å; L44-F159 HydrophobicContact CD2-CD1 4.46Å; L44-F159 HydrophobicContact CG-CD1 3.85Å; L52-F159 HydrophobicContact CD1-CE1 4.19Å; L52-F159 HydrophobicContact CD1-CZ 3.93Å; F67-F159 HydrophobicContact CD1-CD2 4.28Å; F67-F159 AromaticContact CE1-CD2 3.67Å; F67-F159 HydrophobicContact CE1-CD2 3.67Å; F67-F159 AromaticContact CE1-CE2 3.77Å; F67-F159 HydrophobicContact CE1-CE2 3.77Å; F67-F159 HydrophobicContact CZ-CD2 4.49Å; F67-F159 HydrophobicContact CZ-CE2 4.43Å; L103-F159 HydrophobicContact CD1-CB 3.89Å; L103-F159 HydrophobicContact CD1-CG 4.42Å; A112-F159 CarbonylContact C-O 3.57Å; A112-F159 WeakPolarHBondContact CA-O 3.46Å; A112-F159 WeakPolarHBondContact CB-O 3.33Å; F113-F159 HydrophobicContact CB-CB 4.35Å; F113-F159 PolarHBondContact N-O 3.37Å; F113-F159 PolarHBondContact O-N 3.1Å
160	R	82.5	Confident	66.7	Low	82 Å²	82	73.7 Å²	73.7	31%	0.309	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.6	169.5	173.5	175	-69.5	163.2	0.9	108.3	I41 I42 V43 L44 L106 V111	I41-R160 HydrophobicContact CG2-CB 3.72Å; I42-R160 PolarHBondContact O-N 2.78Å; V43-R160 CarbonylContact C-O 3.59Å; V43-R160 VanDerWaalsContact CA-O 3.27Å; V43-R160 WeakPolarHBondContact CA-O 3.49Å; L44-R160 PolarHBondContact N-O 2.68Å; L106-R160 HydrophobicContact CD2-CG 4.21Å; V111-R160 PolarHBondContact O-NH2 3.18Å; V111-R160 VanDerWaalsContact O-NH2 3.15Å
161	T	77.5	Confident	68.5	Low	10 Å²	10	68.4 Å²	68.4	6%	0.061	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.9	172.3	51.6	0	0	0	0	111.2	L44 L103 R104 L106 F113	L44-T161 CarbonylContact O-C 3.57Å; L44-T161 WeakPolarHBondContact O-CA 3.26Å; L103-T161 HydrophobicContact CB-CG2 3.59Å; L103-T161 HydrophobicContact CD1-CG2 4.36Å; R104-T161 WeakPolarHBondContact O-CG2 3.35Å; L106-T161 PolarHBondContact N-OG1 3.32Å; L106-T161 VanDerWaalsContact N-OG1 3.08Å; F113-T161 HydrophobicContact CD2-CG2 4.41Å; F113-T161 HydrophobicContact CE2-CG2 3.91Å
162	T	69.4	Low	70.6	Confident	43 Å²	43	67.9 Å²	67.9	26%	0.264	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.1	161.1	25.5	0	0	0	0	110.6	N35 V43 L44 S46	N35-T162 PolarHBondContact ND2-OG1 2.71Å; V43-T162 HydrophobicContact CG1-CG2 3.5Å; L44-T162 PolarHBondContact O-N 2.81Å; L44-T162 PolarHBondContact O-OG1 3.44Å; L44-T162 VanDerWaalsContact O-OG1 3.04Å; S46-T162 WeakPolarHBondContact CB-O 3.42Å; S46-T162 PolarHBondContact N-O 3.38Å; S46-T162 PolarHBondContact OG-O 3.24Å
163	T	64.4	Low	72.6	Confident	80 Å²	80	68 Å²	68	49%	0.491	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-77.4	157.8	165.1	58.6	0	0	0	0	110.1	E105	E105-T163 HydrophobicContact CG-CG2 3.86Å; E105-T163 VanDerWaalsContact OE1-CG2 3.28Å; E105-T163 WeakPolarHBondContact OE1-CG2 3.42Å
164	T	62.2	Low	74.5	Confident	96 Å²	96	67.9 Å²	67.9	59%	0.589	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-72.1	136.6	161.2	43	0	0	0	0	108.2	M166	T164-M166 PolarHBondContact O-N 2.96Å; T164-M166 PolarHBondContact OG1-O 3.07Å
165	L	61.3	Low	76.2	Confident	147 Å²	147	66.1 Å²	66.1	77%	0.77	33%	0.329	S	S	*	.	S	Bend	trans	-56	-30.6	-170.7	-176.4	64.8	0	0	0	113
166	M	69	Low	78	Confident	47 Å²	47	66.2 Å²	66.2	23%	0.232	33%	0.334	C	S	.	.	S	Bend	trans	-138.2	151.8	171.2	-75.8	171.7	-79.5	0	0	109.8	T164 V170 L174 L246	T164-M166 PolarHBondContact O-N 2.96Å; T164-M166 PolarHBondContact OG1-O 3.07Å; M166-V170 HydrophobicContact CB-CB 4.25Å; M166-V170 HydrophobicContact CB-CG1 4.22Å; M166-V170 HydrophobicContact CG-CG1 4.22Å; M166-V170 HydrophobicContact SD-CG1 3.96Å; M166-L174 HydrophobicContact CE-CD2 3.64Å; M166-L174 HydrophobicContact SD-CD2 3.68Å; M166-L246 HydrophobicContact CE-CD2 3.54Å
167	P	77.6	Confident	79.5	Confident	67 Å²	67	64.5 Å²	64.5	44%	0.435	33%	0.334	S	S	.	.			trans	-57	142	167.9	-22.1	32.3	0	0	0	111.1	W169 V170 Q171	P167-W169 HydrophobicContact CB-CG 4.43Å; P167-W169 PolarHBondContact O-N 3.45Å; P167-V170 HydrophobicContact CB-CG2 4.13Å; P167-V170 HydrophobicContact CG-CG2 4.06Å; P167-V170 WeakPolarHBondContact O-CA 3.35Å; P167-V170 WeakPolarHBondContact O-CB 3.48Å; P167-V170 PolarHBondContact O-N 3.02Å; P167-Q171 PolarHBondContact O-N 2.92Å
168	L	78.7	Confident	80.5	Confident	112 Å²	112	64.6 Å²	64.6	59%	0.586	34%	0.335	S	S	*	.	H	α-helix	trans	-51.6	-36.1	-176.8	-172.7	155.6	0	0	0	113.3	Q171 I172 L250	L168-Q171 PolarHBondContact O-N 3.43Å; L168-I172 HydrophobicContact CD2-CD1 3.57Å; L168-I172 HydrophobicContact CD2-CG1 4.26Å; L168-I172 WeakPolarHBondContact O-CG1 3.3Å; L168-I172 PolarHBondContact O-N 2.95Å; L168-L250 HydrophobicContact CG-CD1 4.23Å
169	W	84.2	Confident	81.1	Confident	174 Å²	174	65.7 Å²	65.7	66%	0.659	34%	0.338	S	S	*	.	H	α-helix	trans	-68.6	-36.8	176	69.1	-94.8	0	0	0	113.3	P167 I173	P167-W169 HydrophobicContact CB-CG 4.43Å; P167-W169 PolarHBondContact O-N 3.45Å; W169-I173 HydrophobicContact CE3-CD1 3.84Å; W169-I173 HydrophobicContact CZ3-CD1 4.15Å; W169-I173 VanDerWaalsContact O-CG1 3.29Å; W169-I173 WeakPolarHBondContact O-CG1 3.27Å; W169-I173 PolarHBondContact O-N 3.25Å; W169-I173 VanDerWaalsContact O-N 3.13Å
170	V	86.6	Confident	81.5	Confident	42 Å²	42	73 Å²	73	26%	0.255	37%	0.37	S	S	.	.	H	α-helix	trans	-67.2	-43.4	172.8	179.5	0	0	0	0	109.7	M166 P167 I172 I173 L174	M166-V170 HydrophobicContact CB-CB 4.25Å; M166-V170 HydrophobicContact CB-CG1 4.22Å; M166-V170 HydrophobicContact CG-CG1 4.22Å; M166-V170 HydrophobicContact SD-CG1 3.96Å; P167-V170 HydrophobicContact CB-CG2 4.13Å; P167-V170 HydrophobicContact CG-CG2 4.06Å; P167-V170 WeakPolarHBondContact O-CA 3.35Å; P167-V170 WeakPolarHBondContact O-CB 3.48Å; P167-V170 PolarHBondContact O-N 3.02Å; V170-I172 PolarHBondContact O-N 3.4Å; V170-I173 PolarHBondContact O-N 2.92Å; V170-L174 VanDerWaalsContact O-CB 3.29Å; V170-L174 WeakPolarHBondContact O-CB 3.44Å; V170-L174 PolarHBondContact O-N 2.57Å
171	Q	84	Confident	81.9	Confident	14 Å²	14	70.8 Å²	70.8	7%	0.065	36%	0.364	C	S	.	.	H	α-helix	trans	-60.7	-44.4	178.8	-173.1	179.2	8.9	0	0	112.1	P167 L168 L174 I175 L246 D249	P167-Q171 PolarHBondContact O-N 2.92Å; L168-Q171 PolarHBondContact O-N 3.43Å; Q171-L174 PolarHBondContact O-N 3.05Å; Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.34Å; Q171-I175 VanDerWaalsContact O-CG1 3.27Å; Q171-I175 WeakPolarHBondContact O-CG1 3.38Å; Q171-I175 PolarHBondContact O-N 2.84Å; Q171-L246 PolarHBondContact NE2-O 2.72Å; Q171-D249 VanDerWaalsContact NE2-C 3.31Å
172	I	88	Confident	82.6	Confident	70 Å²	70	70.3 Å²	70.3	36%	0.359	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-44.7	174.8	-71.8	178.5	0	0	0	111.5	L168 V170 L174 I175 I176 L250	L168-I172 HydrophobicContact CD2-CD1 3.57Å; L168-I172 HydrophobicContact CD2-CG1 4.26Å; L168-I172 WeakPolarHBondContact O-CG1 3.3Å; L168-I172 PolarHBondContact O-N 2.95Å; V170-I172 PolarHBondContact O-N 3.4Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.09Å; I172-I175 PolarHBondContact O-N 3.2Å; I172-I176 HydrophobicContact CG2-CD1 3.8Å; I172-I176 VanDerWaalsContact O-CG1 3.31Å; I172-I176 WeakPolarHBondContact O-CG1 3.29Å; I172-I176 PolarHBondContact O-N 2.91Å; I172-L250 HydrophobicContact CG1-CD1 4.32Å; I172-L250 HydrophobicContact CG1-CD2 4.38Å
173	I	90.6	Very high	83.7	Confident	102 Å²	102	68.5 Å²	68.5	52%	0.523	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-41.4	176.5	-70.8	172.2	0	0	0	110.9	W169 V170 I176 L177	W169-I173 HydrophobicContact CE3-CD1 3.84Å; W169-I173 HydrophobicContact CZ3-CD1 4.15Å; W169-I173 VanDerWaalsContact O-CG1 3.29Å; W169-I173 WeakPolarHBondContact O-CG1 3.27Å; W169-I173 PolarHBondContact O-N 3.25Å; W169-I173 VanDerWaalsContact O-N 3.13Å; V170-I173 PolarHBondContact O-N 2.92Å; I173-I176 PolarHBondContact O-N 3.13Å; I173-L177 WeakPolarHBondContact O-CB 3.18Å; I173-L177 PolarHBondContact O-N 2.88Å
174	L	90	Very high	85	Confident	51 Å²	51	66.4 Å²	66.4	27%	0.267	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-41.5	178.2	-176.2	60.6	0	0	0	111.9	M166 V170 Q171 I172 L177 L178 L246	M166-L174 HydrophobicContact CE-CD2 3.64Å; M166-L174 HydrophobicContact SD-CD2 3.68Å; V170-L174 VanDerWaalsContact O-CB 3.29Å; V170-L174 WeakPolarHBondContact O-CB 3.44Å; V170-L174 PolarHBondContact O-N 2.57Å; Q171-L174 PolarHBondContact O-N 3.05Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.09Å; L174-L177 PolarHBondContact O-N 3.42Å; L174-L178 HydrophobicContact CD1-CD1 4.3Å; L174-L178 HydrophobicContact CD1-CG 4.34Å; L174-L178 HydrophobicContact CG-CD1 3.98Å; L174-L178 HydrophobicContact CG-CG 4.47Å; L174-L178 WeakPolarHBondContact O-CB 3.4Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.28Å; L174-L246 HydrophobicContact CD2-CD1 3.58Å; L174-L246 HydrophobicContact CD2-CD2 4.37Å; L174-L246 HydrophobicContact CG-CD1 3.9Å
175	I	89.3	Confident	86.5	Confident	11 Å²	11	62 Å²	62	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-45.3	174.1	-76.3	165.6	0	0	0	110.9	Q171 I172 L178 F179 L243 L246 L250	Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.34Å; Q171-I175 VanDerWaalsContact O-CG1 3.27Å; Q171-I175 WeakPolarHBondContact O-CG1 3.38Å; Q171-I175 PolarHBondContact O-N 2.84Å; I172-I175 PolarHBondContact O-N 3.2Å; I175-L178 PolarHBondContact O-N 3.33Å; I175-F179 HydrophobicContact CG2-CD2 3.85Å; I175-F179 HydrophobicContact CG2-CE2 3.62Å; I175-F179 VanDerWaalsContact O-CD2 3.25Å; I175-F179 WeakPolarHBondContact O-CD2 3.34Å; I175-F179 PolarHBondContact O-N 3.35Å; I175-L243 HydrophobicContact CB-CD1 4.3Å; I175-L243 HydrophobicContact CG1-CD1 4.26Å; I175-L243 HydrophobicContact CG2-CD1 3.89Å; I175-L246 HydrophobicContact CD1-CB 4.18Å; I175-L246 HydrophobicContact CG1-CB 3.93Å; I175-L250 HydrophobicContact CD1-CB 4.21Å; I175-L250 HydrophobicContact CD1-CD2 3.69Å
176	I	90.4	Very high	87.9	Confident	86 Å²	86	55.2 Å²	55.2	44%	0.441	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-45.3	175.8	-68.6	166.8	0	0	0	110.7	I172 I173 L178 F179 F180	I172-I176 HydrophobicContact CG2-CD1 3.8Å; I172-I176 VanDerWaalsContact O-CG1 3.31Å; I172-I176 WeakPolarHBondContact O-CG1 3.29Å; I172-I176 PolarHBondContact O-N 2.91Å; I173-I176 PolarHBondContact O-N 3.13Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 3.46Å; I176-F179 PolarHBondContact O-N 3.2Å; I176-F180 HydrophobicContact CG2-CD2 3.92Å; I176-F180 HydrophobicContact CG2-CE2 3.71Å; I176-F180 VanDerWaalsContact O-CD2 3.23Å; I176-F180 WeakPolarHBondContact O-CD2 3.41Å; I176-F180 PolarHBondContact O-N 3.4Å; I176-F180 VanDerWaalsContact O-N 3.09Å
177	L	91.8	Very high	89.1	Confident	93 Å²	93	53 Å²	53	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-39.6	176.6	-179.6	62.3	0	0	0	112.2	I173 L174 F180 L181	I173-L177 WeakPolarHBondContact O-CB 3.18Å; I173-L177 PolarHBondContact O-N 2.88Å; L174-L177 PolarHBondContact O-N 3.42Å; L177-F180 PolarHBondContact O-N 3.35Å; L177-L181 HydrophobicContact CD1-CD1 4.49Å; L177-L181 HydrophobicContact CG-CD1 4.16Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 3.1Å
178	L	92	Very high	89.8	Confident	15 Å²	15	50 Å²	50	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-69.4	-37	176.6	-72.9	167.4	0	0	0	112.1	L174 I175 I176 F180 L181 S182 V239 L243 L246	L174-L178 HydrophobicContact CD1-CD1 4.3Å; L174-L178 HydrophobicContact CD1-CG 4.34Å; L174-L178 HydrophobicContact CG-CD1 3.98Å; L174-L178 HydrophobicContact CG-CG 4.47Å; L174-L178 WeakPolarHBondContact O-CB 3.4Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.28Å; I175-L178 PolarHBondContact O-N 3.33Å; I176-L178 VanDerWaalsContact C-N 3.33Å; I176-L178 PolarHBondContact O-N 3.46Å; L178-F180 VanDerWaalsContact C-N 3.34Å; L178-F180 PolarHBondContact O-N 2.86Å; L178-L181 PolarHBondContact O-N 3.24Å; L178-S182 VanDerWaalsContact O-CB 3.27Å; L178-S182 WeakPolarHBondContact O-CB 3.32Å; L178-S182 PolarHBondContact O-N 3.35Å; L178-V239 HydrophobicContact CB-CG1 4.11Å; L178-V239 HydrophobicContact CD2-CB 4.37Å; L178-V239 HydrophobicContact CD2-CG1 3.86Å; L178-V239 HydrophobicContact CD2-CG2 4.15Å; L178-V239 WeakPolarHBondContact O-CG1 3.35Å; L178-L243 HydrophobicContact CB-CB 4.22Å; L178-L243 HydrophobicContact CB-CD1 4.12Å; L178-L243 HydrophobicContact CB-CD2 4.41Å; L178-L243 HydrophobicContact CB-CG 4.5Å; L178-L243 HydrophobicContact CD1-CB 4.41Å; L178-L246 HydrophobicContact CD1-CD1 3.41Å; L178-L246 VanDerWaalsContact CD1-CD1 3.41Å
179	F	90.8	Very high	90.4	Very high	38 Å²	38	46.6 Å²	46.6	17%	0.167	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-43.5	169.7	-82.8	-61.9	0	0	0	111.8	I175 I176 S182 G183 L243 G264 I265 L268	I175-F179 HydrophobicContact CG2-CD2 3.85Å; I175-F179 HydrophobicContact CG2-CE2 3.62Å; I175-F179 VanDerWaalsContact O-CD2 3.25Å; I175-F179 WeakPolarHBondContact O-CD2 3.34Å; I175-F179 PolarHBondContact O-N 3.35Å; I176-F179 PolarHBondContact O-N 3.2Å; F179-S182 PolarHBondContact O-N 3.06Å; F179-G183 PolarHBondContact O-N 3.34Å; F179-L243 HydrophobicContact CD1-CD2 3.68Å; F179-L243 HydrophobicContact CD2-CD1 4.16Å; F179-L243 HydrophobicContact CD2-CD2 4.47Å; F179-L243 HydrophobicContact CE1-CD2 3.67Å; F179-L243 HydrophobicContact CE1-CG 4.44Å; F179-L243 HydrophobicContact CE2-CD1 3.93Å; F179-L243 HydrophobicContact CE2-CD2 4.48Å; F179-L243 HydrophobicContact CG-CD2 4.08Å; F179-L243 HydrophobicContact CZ-CD1 4.11Å; F179-L243 HydrophobicContact CZ-CD2 4.1Å; F179-L243 HydrophobicContact CZ-CG 4.41Å; F179-G264 VanDerWaalsContact CE1-C 3.44Å; F179-I265 HydrophobicContact CE1-CG1 4.24Å; F179-L268 HydrophobicContact CD1-CB 4.3Å
180	F	91.1	Very high	90.7	Very high	153 Å²	153	41.6 Å²	41.6	67%	0.671	21%	0.212	S	C	*	.	H	α-helix	trans	-64.9	-38.4	174.9	-79	-64.6	0	0	0	113.1	I176 L177 L178 L184	I176-F180 HydrophobicContact CG2-CD2 3.92Å; I176-F180 HydrophobicContact CG2-CE2 3.71Å; I176-F180 VanDerWaalsContact O-CD2 3.23Å; I176-F180 WeakPolarHBondContact O-CD2 3.41Å; I176-F180 PolarHBondContact O-N 3.4Å; I176-F180 VanDerWaalsContact O-N 3.09Å; L177-F180 PolarHBondContact O-N 3.35Å; L178-F180 VanDerWaalsContact C-N 3.34Å; L178-F180 PolarHBondContact O-N 2.86Å; F180-L184 VanDerWaalsContact O-CB 3.27Å; F180-L184 WeakPolarHBondContact O-CB 3.23Å; F180-L184 PolarHBondContact O-N 3.43Å
181	L	91.5	Very high	90.9	Very high	35 Å²	35	39.7 Å²	39.7	18%	0.183	20%	0.2	C	C	.	.	H	α-helix	trans	-71.1	-37.3	176.7	-73.9	169.6	0	0	0	112.5	L177 L178 L184 F185 V239 F295	L177-L181 HydrophobicContact CD1-CD1 4.49Å; L177-L181 HydrophobicContact CG-CD1 4.16Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 3.1Å; L178-L181 PolarHBondContact O-N 3.24Å; L181-L184 HydrophobicContact CD2-CD2 4.47Å; L181-L184 PolarHBondContact O-N 2.97Å; L181-F185 HydrophobicContact CB-CE2 4.47Å; L181-F185 WeakPolarHBondContact O-CD2 3.23Å; L181-F185 WeakPolarHBondContact O-CG 3.44Å; L181-F185 PolarHBondContact O-N 3.47Å; L181-V239 HydrophobicContact CB-CG1 4.28Å; L181-V239 HydrophobicContact CB-CG2 4.05Å; L181-F295 HydrophobicContact CD2-CE2 4.06Å; L181-F295 HydrophobicContact CD2-CZ 4.05Å
182	S	92.6	Very high	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.2	-54.2	172.9	179.4	0	0	0	0	109.3	L178 F179 L184 F185 S186 N240 G269	L178-S182 VanDerWaalsContact O-CB 3.27Å; L178-S182 WeakPolarHBondContact O-CB 3.32Å; L178-S182 PolarHBondContact O-N 3.35Å; F179-S182 PolarHBondContact O-N 3.06Å; S182-L184 VanDerWaalsContact C-N 3.31Å; S182-L184 PolarHBondContact O-N 3.13Å; S182-F185 PolarHBondContact O-N 2.91Å; S182-S186 VanDerWaalsContact O-CB 3.28Å; S182-S186 WeakPolarHBondContact O-CB 3.44Å; S182-S186 PolarHBondContact O-N 3.08Å; S182-N240 WeakPolarHBondContact CB-OD1 3.4Å; S182-N240 PolarHBondContact OG-OD1 2.7Å; S182-G269 CarbonylContact C-O 3.59Å; S182-G269 WeakPolarHBondContact OG-CA 3.4Å
183	G	92.1	Very high	91.2	Very high	6 Å²	6	37.3 Å²	37.3	6%	0.062	19%	0.188	C	C	.	.	H	α-helix	trans	-58.5	-39.6	175.7	0	0	0	0	0	114.1	F179 G187 G269 P273	F179-G183 PolarHBondContact O-N 3.34Å; G183-G187 WeakPolarHBondContact O-CA 3.44Å; G183-G187 PolarHBondContact O-N 2.81Å; G183-G269 WeakPolarHBondContact CA-O 3.47Å; G183-G269 PolarHBondContact N-O 3.16Å; G183-P273 WeakPolarHBondContact O-CB 3.49Å
184	L	91.6	Very high	91.1	Very high	35 Å²	35	35.9 Å²	35.9	18%	0.183	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-50	175.7	-176.2	68.8	0	0	0	111.7	F180 L181 S182 L188 T288 L291	F180-L184 VanDerWaalsContact O-CB 3.27Å; F180-L184 WeakPolarHBondContact O-CB 3.23Å; F180-L184 PolarHBondContact O-N 3.43Å; L181-L184 HydrophobicContact CD2-CD2 4.47Å; L181-L184 PolarHBondContact O-N 2.97Å; S182-L184 VanDerWaalsContact C-N 3.31Å; S182-L184 PolarHBondContact O-N 3.13Å; L184-L188 HydrophobicContact CD1-CD1 3.68Å; L184-L188 HydrophobicContact CD1-CG 4Å; L184-L188 HydrophobicContact CG-CD1 3.81Å; L184-L188 HydrophobicContact CG-CG 4.37Å; L184-L188 WeakPolarHBondContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 2.99Å; L184-T288 HydrophobicContact CD1-CG2 3.71Å; L184-L291 HydrophobicContact CD2-CD2 3.41Å; L184-L291 VanDerWaalsContact CD2-CD2 3.41Å; L184-L291 HydrophobicContact CD2-CG 4.07Å
185	F	92.8	Very high	91	Very high	4 Å²	4	34 Å²	34	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-48	-179.3	-73	-53.4	0	0	0	112	L181 S182 L188 N189 L232 G235 N236 V239 F295	L181-F185 HydrophobicContact CB-CE2 4.47Å; L181-F185 WeakPolarHBondContact O-CD2 3.23Å; L181-F185 WeakPolarHBondContact O-CG 3.44Å; L181-F185 PolarHBondContact O-N 3.47Å; S182-F185 PolarHBondContact O-N 2.91Å; F185-L188 PolarHBondContact O-N 3.44Å; F185-N189 VanDerWaalsContact O-CB 3.29Å; F185-N189 WeakPolarHBondContact O-CB 3.2Å; F185-N189 PolarHBondContact O-N 3.33Å; F185-L232 HydrophobicContact CD1-CD2 3.91Å; F185-G235 VanDerWaalsContact CD2-C 3.44Å; F185-N236 HydrophobicContact CB-CB 4.05Å; F185-V239 HydrophobicContact CD2-CG2 3.93Å; F185-V239 HydrophobicContact CE2-CG2 3.69Å; F185-F295 HydrophobicContact CE1-CB 4.08Å; F185-F295 HydrophobicContact CE1-CD1 4.32Å; F185-F295 AromaticContact CE1-CD2 3.49Å; F185-F295 HydrophobicContact CE1-CD2 3.49Å; F185-F295 VanDerWaalsContact CE1-CD2 3.49Å; F185-F295 AromaticContact CE1-CE2 3.93Å; F185-F295 HydrophobicContact CE1-CE2 3.93Å; F185-F295 AromaticContact CE1-CG 3.7Å; F185-F295 HydrophobicContact CE1-CG 3.7Å; F185-F295 HydrophobicContact CE2-CE2 4.35Å; F185-F295 HydrophobicContact CE2-CZ 4.32Å; F185-F295 HydrophobicContact CZ-CB 4.33Å; F185-F295 AromaticContact CZ-CD1 3.72Å; F185-F295 HydrophobicContact CZ-CD1 3.72Å; F185-F295 AromaticContact CZ-CD2 3.42Å; F185-F295 HydrophobicContact CZ-CD2 3.42Å; F185-F295 VanDerWaalsContact CZ-CD2 3.42Å; F185-F295 AromaticContact CZ-CE1 3.78Å; F185-F295 HydrophobicContact CZ-CE1 3.78Å; F185-F295 AromaticContact CZ-CE2 3.45Å; F185-F295 HydrophobicContact CZ-CE2 3.45Å; F185-F295 VanDerWaalsContact CZ-CE2 3.45Å; F185-F295 AromaticContact CZ-CG 3.55Å; F185-F295 HydrophobicContact CZ-CG 3.55Å; F185-F295 AromaticContact CZ-CZ 3.65Å; F185-F295 HydrophobicContact CZ-CZ 3.65Å
186	S	92.1	Very high	90.8	Very high	5 Å²	5	34.7 Å²	34.7	4%	0.035	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-44.8	-179.7	-162.8	0	0	0	0	111.6	S182 N189 L190 G269 Q274	S182-S186 VanDerWaalsContact O-CB 3.28Å; S182-S186 WeakPolarHBondContact O-CB 3.44Å; S182-S186 PolarHBondContact O-N 3.08Å; S186-N189 PolarHBondContact O-N 2.81Å; S186-L190 PolarHBondContact O-N 3.46Å; S186-G269 WeakPolarHBondContact CB-O 3.35Å; S186-Q274 PolarHBondContact OG-NE2 2.98Å
187	G	92.6	Very high	90.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-43.5	175.8	0	0	0	0	0	113.4	G183 L190 G191 C277	G183-G187 WeakPolarHBondContact O-CA 3.44Å; G183-G187 PolarHBondContact O-N 2.81Å; G187-L190 PolarHBondContact O-N 2.89Å; G187-G191 PolarHBondContact O-N 2.93Å; G187-C277 WeakPolarHBondContact O-CB 3.27Å
188	L	92.2	Very high	90.1	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-69.3	-31.7	176.4	-72.4	178.3	0	0	0	112.8	L184 F185 L190 G191 L192 L232 I284 T288	L184-L188 HydrophobicContact CD1-CD1 3.68Å; L184-L188 HydrophobicContact CD1-CG 4Å; L184-L188 HydrophobicContact CG-CD1 3.81Å; L184-L188 HydrophobicContact CG-CG 4.37Å; L184-L188 WeakPolarHBondContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 2.99Å; F185-L188 PolarHBondContact O-N 3.44Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L188-G191 PolarHBondContact O-N 3.1Å; L188-L192 HydrophobicContact CB-CD1 4.22Å; L188-L192 HydrophobicContact CD2-CD1 4.2Å; L188-L192 HydrophobicContact CD2-CG 4.25Å; L188-L192 WeakPolarHBondContact O-CB 3.46Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 3.39Å; L188-L232 HydrophobicContact CB-CD1 4.4Å; L188-L232 HydrophobicContact CB-CD2 4.25Å; L188-I284 HydrophobicContact CD2-CG2 4.18Å; L188-T288 WeakPolarHBondContact CD1-OG1 3.34Å; L188-T288 WeakPolarHBondContact CD2-OG1 3.42Å
189	N	92.3	Very high	89.8	Confident	39 Å²	39	33.1 Å²	33.1	21%	0.209	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-48.2	175	-170.8	55.1	0	0	0	110.3	F185 S186 M193 L232	F185-N189 VanDerWaalsContact O-CB 3.29Å; F185-N189 WeakPolarHBondContact O-CB 3.2Å; F185-N189 PolarHBondContact O-N 3.33Å; S186-N189 PolarHBondContact O-N 2.81Å; N189-M193 WeakPolarHBondContact O-CB 3.26Å; N189-M193 WeakPolarHBondContact O-CG 3.2Å; N189-M193 PolarHBondContact O-N 2.85Å; N189-L232 HydrophobicContact CB-CB 4.23Å; N189-L232 HydrophobicContact CB-CD1 4.39Å
190	L	91	Very high	89.7	Confident	70 Å²	70	31.3 Å²	31.3	37%	0.366	16%	0.163	S	C	.	.	H	α-helix	trans	-66.4	-54.6	173.9	-176.5	59.5	0	0	0	111.9	S186 G187 L188 L192 M193 S194 Q274	S186-L190 PolarHBondContact O-N 3.46Å; G187-L190 PolarHBondContact O-N 2.89Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L190-L192 PolarHBondContact O-N 3.43Å; L190-M193 PolarHBondContact O-N 3.05Å; L190-S194 VanDerWaalsContact O-CB 3.31Å; L190-S194 WeakPolarHBondContact O-CB 3.43Å; L190-S194 PolarHBondContact O-N 2.82Å; L190-S194 PolarHBondContact O-OG 2.79Å; L190-Q274 HydrophobicContact CB-CG 4.32Å; L190-Q274 HydrophobicContact CD2-CB 3.83Å; L190-Q274 HydrophobicContact CD2-CG 4.23Å
191	G	90.5	Very high	89.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-74.5	-14.2	-169.5	0	0	0	0	0	116.5	G187 L188 L195	G187-G191 PolarHBondContact O-N 2.93Å; L188-G191 PolarHBondContact O-N 3.1Å; G191-L195 WeakPolarHBondContact O-CD1 3.48Å
192	L	90.5	Very high	89.3	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-98.3	-30.9	169.4	-67.1	176.3	0	0	0	112.5	L188 L190 I218 R222 L228 L232 T292	L188-L192 HydrophobicContact CB-CD1 4.22Å; L188-L192 HydrophobicContact CD2-CD1 4.2Å; L188-L192 HydrophobicContact CD2-CG 4.25Å; L188-L192 WeakPolarHBondContact O-CB 3.46Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 3.39Å; L190-L192 PolarHBondContact O-N 3.43Å; L192-I218 HydrophobicContact CD2-CD1 4.21Å; L192-I218 HydrophobicContact CD2-CG1 4.28Å; L192-I218 HydrophobicContact CD2-CG2 3.8Å; L192-R222 WeakPolarHBondContact O-CD 3.32Å; L192-R222 PolarHBondContact O-NE 3.32Å; L192-L228 HydrophobicContact CB-CD2 4.23Å; L192-L228 HydrophobicContact CD1-CD1 4.45Å; L192-L228 HydrophobicContact CD1-CD2 4.27Å; L192-L232 HydrophobicContact CD1-CD1 4.39Å; L192-T292 HydrophobicContact CD1-CG2 4.3Å
193	M	88.6	Confident	89.1	Confident	34 Å²	34	34.7 Å²	34.7	17%	0.167	18%	0.181	C	C	.	.	H	α-helix	trans	-78.7	-31.8	178.6	-65.8	-66.4	156.1	0	0	112.7	N189 L190 L195 R222 L228 L229	N189-M193 WeakPolarHBondContact O-CB 3.26Å; N189-M193 WeakPolarHBondContact O-CG 3.2Å; N189-M193 PolarHBondContact O-N 2.85Å; L190-M193 PolarHBondContact O-N 3.05Å; M193-L195 PolarHBondContact O-N 3.49Å; M193-R222 PolarHBondContact O-NH2 2.94Å; M193-R222 PolarHBondContact SD-NH1 2.78Å; M193-L228 HydrophobicContact CE-CB 3.85Å; M193-L228 HydrophobicContact CE-CD2 3.75Å; M193-L228 HydrophobicContact CE-CG 3.56Å; M193-L229 HydrophobicContact CE-CB 3.73Å; M193-L229 HydrophobicContact CE-CD1 4.25Å; M193-L229 VanDerWaalsContact CE-N 3.33Å; M193-L229 HydrophobicContact CG-CD1 4.34Å; M193-L229 HydrophobicContact SD-CB 4.39Å; M193-L229 HydrophobicContact SD-CD1 4.34Å
194	S	87.8	Confident	89	Confident	71 Å²	71	36.9 Å²	36.9	50%	0.497	19%	0.189	S	C	.	.	S	Bend	trans	-61.1	-27	174.7	64.7	0	0	0	0	112.9	L190	L190-S194 VanDerWaalsContact O-CB 3.31Å; L190-S194 WeakPolarHBondContact O-CB 3.43Å; L190-S194 PolarHBondContact O-N 2.82Å; L190-S194 PolarHBondContact O-OG 2.79Å
195	L	87.7	Confident	88.8	Confident	13 Å²	13	39.3 Å²	39.3	7%	0.068	21%	0.209	C	C	.	.	S	Bend	trans	-83.9	116.6	178.7	-70.5	173.8	0	0	0	110.4	G191 M193 E199 L200 R222 L282	G191-L195 WeakPolarHBondContact O-CD1 3.48Å; M193-L195 PolarHBondContact O-N 3.49Å; L195-E199 WeakPolarHBondContact CA-OE2 3.22Å; L195-L200 HydrophobicContact CB-CD1 3.63Å; L195-L200 HydrophobicContact CD1-CD1 4.21Å; L195-L200 HydrophobicContact CD2-CD1 4.17Å; L195-L200 HydrophobicContact CG-CD1 4.23Å; L195-R222 PolarHBondContact O-NE 3.25Å; L195-L282 HydrophobicContact CD1-CB 4.24Å; L195-L282 HydrophobicContact CD1-CD1 4.08Å
196	D	85.2	Confident	88.4	Confident	25 Å²	25	42.8 Å²	42.8	13%	0.134	24%	0.239	C	C	.	.			trans	-86.7	157.5	-178	-176.3	38.7	0	0	0	113.4	T198 E199 L200 G319 Q320	D196-T198 PolarHBondContact O-N 2.83Å; D196-T198 VanDerWaalsContact OD2-CB 3.31Å; D196-T198 WeakPolarHBondContact OD2-CB 3.49Å; D196-T198 PolarHBondContact OD2-N 2.86Å; D196-T198 PolarHBondContact OD2-OG1 2.76Å; D196-E199 HydrophobicContact CB-CB 4.2Å; D196-E199 PolarHBondContact N-OE2 2.65Å; D196-E199 PolarHBondContact O-N 3.25Å; D196-L200 PolarHBondContact O-N 2.73Å; D196-G319 VanDerWaalsContact OD1-CA 3.23Å; D196-G319 WeakPolarHBondContact OD1-CA 3.48Å; D196-Q320 PolarHBondContact OD2-N 2.79Å
197	K	84.9	Confident	88	Confident	43 Å²	43	43.4 Å²	43.4	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-54.1	-39.5	171.3	-63.2	178.3	-178.9	176.9	0	111.5	K201 E223 E316 E317	K197-K201 PolarHBondContact O-N 2.96Å; K197-E223 PolarHBondContact NZ-O 2.99Å; K197-E316 IonicContact NZ-OE1 3.75Å; K197-E316 PolarHBondContact NZ-OE1 3.09Å; K197-E317 WeakPolarHBondContact CE-O 3.49Å; K197-E317 PolarHBondContact NZ-O 3.01Å
198	T	82.6	Confident	87.8	Confident	41 Å²	41	46.2 Å²	46.2	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-72.5	-45	177.5	-57.2	0	0	0	0	111.7	D196 K201 I202 Q320 Y322	D196-T198 PolarHBondContact O-N 2.83Å; D196-T198 VanDerWaalsContact OD2-CB 3.31Å; D196-T198 WeakPolarHBondContact OD2-CB 3.49Å; D196-T198 PolarHBondContact OD2-N 2.86Å; D196-T198 PolarHBondContact OD2-OG1 2.76Å; T198-K201 WeakPolarHBondContact O-CB 3.27Å; T198-K201 PolarHBondContact O-N 3.45Å; T198-K201 VanDerWaalsContact O-N 3.13Å; T198-I202 HydrophobicContact CG2-CD1 4.12Å; T198-I202 WeakPolarHBondContact O-CG1 3.42Å; T198-I202 PolarHBondContact O-N 3.09Å; T198-Q320 PolarHBondContact OG1-O 3.04Å; T198-Q320 VanDerWaalsContact OG1-O 3.08Å; T198-Y322 HydrophobicContact CG2-CD2 4.11Å; T198-Y322 HydrophobicContact CG2-CE2 3.87Å
199	E	85.9	Confident	87.6	Confident	76 Å²	76	53.8 Å²	53.8	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-46	179.6	-173.1	-173.6	-169.9	0	0	111.8	L195 D196 K201 I202 I203	L195-E199 WeakPolarHBondContact CA-OE2 3.22Å; D196-E199 HydrophobicContact CB-CB 4.2Å; D196-E199 PolarHBondContact N-OE2 2.65Å; D196-E199 PolarHBondContact O-N 3.25Å; E199-K201 PolarHBondContact O-N 2.78Å; E199-I202 WeakPolarHBondContact O-CB 3.14Å; E199-I202 PolarHBondContact O-N 2.93Å; E199-I203 HydrophobicContact CG-CD1 3.99Å; E199-I203 WeakPolarHBondContact O-CG1 3.45Å; E199-I203 PolarHBondContact O-N 2.85Å
200	L	88.6	Confident	87.4	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-58.2	-34.1	174.9	-103.4	62.9	0	0	0	112.7	L195 D196 I203 E204 A215 I218 R219 L282	L195-L200 HydrophobicContact CB-CD1 3.63Å; L195-L200 HydrophobicContact CD1-CD1 4.21Å; L195-L200 HydrophobicContact CD2-CD1 4.17Å; L195-L200 HydrophobicContact CG-CD1 4.23Å; D196-L200 PolarHBondContact O-N 2.73Å; L200-I203 PolarHBondContact O-N 3.34Å; L200-E204 VanDerWaalsContact O-CB 3.23Å; L200-E204 WeakPolarHBondContact O-CB 3.38Å; L200-E204 PolarHBondContact O-N 2.85Å; L200-A215 HydrophobicContact CG-CB 4.09Å; L200-I218 HydrophobicContact CD2-CB 4.02Å; L200-I218 HydrophobicContact CD2-CG2 3.83Å; L200-R219 HydrophobicContact CD2-CB 3.98Å; L200-L282 HydrophobicContact CD1-CD1 4.37Å
201	K	87.2	Confident	87.4	Confident	140 Å²	140	57.2 Å²	57.2	61%	0.609	32%	0.317	S	S	*	.	H	α-helix	trans	-73.8	-32.1	177.2	-168.3	178.5	179.1	-176.7	0	112.4	K197 T198 E199 S205	K197-K201 PolarHBondContact O-N 2.96Å; T198-K201 WeakPolarHBondContact O-CB 3.27Å; T198-K201 PolarHBondContact O-N 3.45Å; T198-K201 VanDerWaalsContact O-N 3.13Å; E199-K201 PolarHBondContact O-N 2.78Å; K201-S205 PolarHBondContact O-N 2.94Å; K201-S205 PolarHBondContact O-OG 2.78Å
202	I	85.9	Confident	87.4	Confident	88 Å²	88	60.4 Å²	60.4	45%	0.451	33%	0.33	S	S	.	.	H	α-helix	trans	-69.8	-41.8	171.3	-65.5	165.8	0	0	0	110.1	T198 E199 S205 A206	T198-I202 HydrophobicContact CG2-CD1 4.12Å; T198-I202 WeakPolarHBondContact O-CG1 3.42Å; T198-I202 PolarHBondContact O-N 3.09Å; E199-I202 WeakPolarHBondContact O-CB 3.14Å; E199-I202 PolarHBondContact O-N 2.93Å; I202-S205 PolarHBondContact O-N 3.42Å; I202-S205 PolarHBondContact O-OG 3.27Å; I202-S205 VanDerWaalsContact O-OG 3.07Å; I202-A206 WeakPolarHBondContact O-CB 3.34Å; I202-A206 PolarHBondContact O-N 2.87Å
203	I	89	Confident	87.5	Confident	30 Å²	30	63.9 Å²	63.9	15%	0.154	36%	0.355	C	S	.	.	H	α-helix	trans	-67.5	-39.5	175.7	-63.5	168.3	0	0	0	110.9	E199 L200 S205 G207 E211 K212 A215 L282	E199-I203 HydrophobicContact CG-CD1 3.99Å; E199-I203 WeakPolarHBondContact O-CG1 3.45Å; E199-I203 PolarHBondContact O-N 2.85Å; L200-I203 PolarHBondContact O-N 3.34Å; I203-S205 PolarHBondContact O-N 2.94Å; I203-G207 WeakPolarHBondContact O-CA 3.43Å; I203-G207 PolarHBondContact O-N 3.33Å; I203-E211 HydrophobicContact CG2-CB 3.77Å; I203-K212 WeakPolarHBondContact O-CG 3.46Å; I203-A215 HydrophobicContact CB-CB 4.13Å; I203-A215 HydrophobicContact CG2-CB 3.82Å; I203-L282 HydrophobicContact CD1-CD1 4.42Å; I203-L282 HydrophobicContact CD1-CD2 4.41Å; I203-L282 HydrophobicContact CG2-CD2 3.98Å
204	E	89.3	Confident	87.7	Confident	52 Å²	52	65 Å²	65	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-61	-28.4	175.1	-174.7	169.4	-152.5	0	0	112.6	L200 K212 K216 R219	L200-E204 VanDerWaalsContact O-CB 3.23Å; L200-E204 WeakPolarHBondContact O-CB 3.38Å; L200-E204 PolarHBondContact O-N 2.85Å; E204-K212 WeakPolarHBondContact O-CE 3.33Å; E204-K212 WeakPolarHBondContact O-CG 3.24Å; E204-K216 WeakPolarHBondContact OE1-CG 3.31Å; E204-R219 IonicContact OE2-CZ 3.8Å; E204-R219 IonicContact OE2-NH1 3.83Å; E204-R219 PolarHBondContact OE2-NH1 3.37Å
205	S	87.3	Confident	87.9	Confident	86 Å²	86	61.7 Å²	61.7	60%	0.601	33%	0.334	S	S	*	.	H	α-helix	trans	-96.4	-43.2	178	66.1	0	0	0	0	114.4	K201 I202 I203 K212	K201-S205 PolarHBondContact O-N 2.94Å; K201-S205 PolarHBondContact O-OG 2.78Å; I202-S205 PolarHBondContact O-N 3.42Å; I202-S205 PolarHBondContact O-OG 3.27Å; I202-S205 VanDerWaalsContact O-OG 3.07Å; I203-S205 PolarHBondContact O-N 2.94Å; S205-K212 WeakPolarHBondContact O-CE 3.38Å; S205-K212 PolarHBondContact O-NZ 3.37Å
206	A	85.4	Confident	88.1	Confident	77 Å²	77	67.6 Å²	67.6	64%	0.636	36%	0.359	S	S	*	.	H	α-helix	trans	-105.1	-24.2	-170.8	0	0	0	0	0	114.8	I202	I202-A206 WeakPolarHBondContact O-CB 3.34Å; I202-A206 PolarHBondContact O-N 2.87Å
207	G	83	Confident	88.4	Confident	19 Å²	19	68 Å²	68	20%	0.196	37%	0.366	C	S	.	.	S	Bend	trans	-65.2	172.7	-174.8	0	0	0	0	0	115.3	I203 K212	I203-G207 WeakPolarHBondContact O-CA 3.43Å; I203-G207 PolarHBondContact O-N 3.33Å; G207-K212 VanDerWaalsContact O-CD 3.23Å; G207-K212 WeakPolarHBondContact O-CD 3.43Å; G207-K212 WeakPolarHBondContact O-CE 3.21Å; G207-K212 PolarHBondContact O-NZ 3.22Å
208	S	88.1	Confident	88.7	Confident	59 Å²	59	66 Å²	66	41%	0.413	36%	0.358	S	S	.	.			trans	-65.5	165.1	172.5	72.3	0	0	0	0	112.1	N210 E211 K212	S208-N210 PolarHBondContact O-N 3.31Å; S208-N210 VanDerWaalsContact O-N 3.14Å; S208-E211 WeakPolarHBondContact CA-OE2 3.31Å; S208-E211 WeakPolarHBondContact CB-OE2 3.39Å; S208-E211 PolarHBondContact N-OE2 2.92Å; S208-E211 PolarHBondContact O-N 3.37Å; S208-E211 VanDerWaalsContact O-N 3.16Å; S208-E211 VanDerWaalsContact OG-CD 3.27Å; S208-E211 WeakPolarHBondContact OG-CG 3.48Å; S208-E211 PolarHBondContact OG-OE2 3.21Å; S208-K212 WeakPolarHBondContact O-CB 3.45Å; S208-K212 WeakPolarHBondContact O-CG 3.38Å; S208-K212 PolarHBondContact O-N 2.84Å
209	H	88.7	Confident	89.1	Confident	163 Å²	163	68.2 Å²	68.2	76%	0.755	36%	0.361	S	S	*	.	H	α-helix	trans	-53.5	-37.2	-179.3	-175.3	-83.2	0	0	0	113.5	S213	H209-S213 PolarHBondContact O-N 2.97Å
210	N	89.1	Confident	89.2	Confident	98 Å²	98	67.8 Å²	67.8	52%	0.524	37%	0.365	S	S	.	.	H	α-helix	trans	-74.3	-45.9	179.2	-66.7	-21.8	0	0	0	111.5	S208 K212 S213 Y214	S208-N210 PolarHBondContact O-N 3.31Å; S208-N210 VanDerWaalsContact O-N 3.14Å; N210-K212 VanDerWaalsContact C-N 3.33Å; N210-K212 PolarHBondContact O-N 3.05Å; N210-S213 WeakPolarHBondContact O-CB 3.47Å; N210-S213 PolarHBondContact O-N 2.85Å; N210-Y214 HydrophobicContact CB-CE2 4.22Å; N210-Y214 WeakPolarHBondContact O-CD2 3.3Å; N210-Y214 PolarHBondContact O-N 3.25Å
211	E	90.6	Very high	89.3	Confident	84 Å²	84	68.2 Å²	68.2	39%	0.393	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-38.9	179.2	-65.5	163.2	132.5	0	0	111.7	I203 S208 S213 Y214 A215 L282	I203-E211 HydrophobicContact CG2-CB 3.77Å; S208-E211 WeakPolarHBondContact CA-OE2 3.31Å; S208-E211 WeakPolarHBondContact CB-OE2 3.39Å; S208-E211 PolarHBondContact N-OE2 2.92Å; S208-E211 PolarHBondContact O-N 3.37Å; S208-E211 VanDerWaalsContact O-N 3.16Å; S208-E211 VanDerWaalsContact OG-CD 3.27Å; S208-E211 WeakPolarHBondContact OG-CG 3.48Å; S208-E211 PolarHBondContact OG-OE2 3.21Å; E211-S213 PolarHBondContact O-N 3.37Å; E211-Y214 PolarHBondContact O-N 3.11Å; E211-A215 WeakPolarHBondContact O-CB 3.37Å; E211-A215 PolarHBondContact O-N 2.82Å; E211-L282 HydrophobicContact CB-CD2 3.78Å; E211-L282 HydrophobicContact CG-CD2 3.94Å
212	K	90.4	Very high	89.4	Confident	68 Å²	68	62.3 Å²	62.3	30%	0.296	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-45.5	172.1	-77.8	175.3	162.4	141.2	0	112.4	I203 E204 S205 G207 S208 N210 Y214 K216	I203-K212 WeakPolarHBondContact O-CG 3.46Å; E204-K212 WeakPolarHBondContact O-CE 3.33Å; E204-K212 WeakPolarHBondContact O-CG 3.24Å; S205-K212 WeakPolarHBondContact O-CE 3.38Å; S205-K212 PolarHBondContact O-NZ 3.37Å; G207-K212 VanDerWaalsContact O-CD 3.23Å; G207-K212 WeakPolarHBondContact O-CD 3.43Å; G207-K212 WeakPolarHBondContact O-CE 3.21Å; G207-K212 PolarHBondContact O-NZ 3.22Å; S208-K212 WeakPolarHBondContact O-CB 3.45Å; S208-K212 WeakPolarHBondContact O-CG 3.38Å; S208-K212 PolarHBondContact O-N 2.84Å; N210-K212 VanDerWaalsContact C-N 3.33Å; N210-K212 PolarHBondContact O-N 3.05Å; K212-Y214 VanDerWaalsContact C-N 3.34Å; K212-K216 VanDerWaalsContact O-CB 3.24Å; K212-K216 WeakPolarHBondContact O-CB 3.22Å; K212-K216 PolarHBondContact O-N 3.23Å
213	S	91.2	Very high	89.4	Confident	73 Å²	73	62 Å²	62	51%	0.51	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-39.3	175.9	-168.2	0	0	0	0	112	H209 N210 E211 A217	H209-S213 PolarHBondContact O-N 2.97Å; N210-S213 WeakPolarHBondContact O-CB 3.47Å; N210-S213 PolarHBondContact O-N 2.85Å; E211-S213 PolarHBondContact O-N 3.37Å; S213-A217 WeakPolarHBondContact O-CB 3.48Å; S213-A217 PolarHBondContact O-N 3.22Å; S213-A217 VanDerWaalsContact O-N 3.13Å
214	Y	93.3	Very high	89.3	Confident	59 Å²	59	66.7 Å²	66.7	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-69.6	-47.4	178	-61.8	-23.7	0	0	0	112.9	N210 E211 K212 K216 A217 I218 A283 A286	N210-Y214 HydrophobicContact CB-CE2 4.22Å; N210-Y214 WeakPolarHBondContact O-CD2 3.3Å; N210-Y214 PolarHBondContact O-N 3.25Å; E211-Y214 PolarHBondContact O-N 3.11Å; K212-Y214 VanDerWaalsContact C-N 3.34Å; Y214-K216 PolarHBondContact O-N 3.15Å; Y214-A217 PolarHBondContact O-N 3.3Å; Y214-I218 WeakPolarHBondContact O-CG1 3.42Å; Y214-I218 PolarHBondContact O-N 3.1Å; Y214-A283 HydrophobicContact CD2-CB 4.17Å; Y214-A283 HydrophobicContact CE2-CB 3.94Å; Y214-A286 HydrophobicContact CD1-CB 3.53Å; Y214-A286 HydrophobicContact CE1-CB 4.45Å; Y214-A286 HydrophobicContact CG-CB 3.7Å
215	A	92.1	Very high	89.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-49.4	176.4	0	0	0	0	0	111.3	L200 I203 E211 A217 I218 R219 L282	L200-A215 HydrophobicContact CG-CB 4.09Å; I203-A215 HydrophobicContact CB-CB 4.13Å; I203-A215 HydrophobicContact CG2-CB 3.82Å; E211-A215 WeakPolarHBondContact O-CB 3.37Å; E211-A215 PolarHBondContact O-N 2.82Å; A215-A217 VanDerWaalsContact C-N 3.26Å; A215-A217 PolarHBondContact O-N 2.92Å; A215-I218 PolarHBondContact O-N 3.44Å; A215-R219 VanDerWaalsContact O-CB 3.26Å; A215-R219 WeakPolarHBondContact O-CB 3.25Å; A215-R219 PolarHBondContact O-N 3.29Å; A215-L282 HydrophobicContact CB-CD1 4.2Å
216	K	92.1	Very high	89.3	Confident	138 Å²	138	60.8 Å²	60.8	60%	0.6	32%	0.322	S	S	*	.	H	α-helix	trans	-61	-31.7	177.4	-173.5	168.7	-174.4	168.2	0	113.4	E204 K212 Y214 P220	E204-K216 WeakPolarHBondContact OE1-CG 3.31Å; K212-K216 VanDerWaalsContact O-CB 3.24Å; K212-K216 WeakPolarHBondContact O-CB 3.22Å; K212-K216 PolarHBondContact O-N 3.23Å; Y214-K216 PolarHBondContact O-N 3.15Å; K216-P220 WeakPolarHBondContact O-CD 3.27Å
217	A	91	Very high	89.5	Confident	34 Å²	34	57.7 Å²	57.7	28%	0.281	29%	0.294	S	S	.	.	H	α-helix	trans	-73.8	-44.3	175.7	0	0	0	0	0	112.5	S213 Y214 A215 L289	S213-A217 WeakPolarHBondContact O-CB 3.48Å; S213-A217 PolarHBondContact O-N 3.22Å; S213-A217 VanDerWaalsContact O-N 3.13Å; Y214-A217 PolarHBondContact O-N 3.3Å; A215-A217 VanDerWaalsContact C-N 3.26Å; A215-A217 PolarHBondContact O-N 2.92Å; A217-L289 HydrophobicContact CB-CD2 3.89Å; A217-L289 WeakPolarHBondContact O-CD2 3.34Å
218	I	92.1	Very high	89.9	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-71.3	-40.6	-178.6	-66.5	162.3	0	0	0	111.7	L192 L200 Y214 A215 V221 R222 L282 A286	L192-I218 HydrophobicContact CD2-CD1 4.21Å; L192-I218 HydrophobicContact CD2-CG1 4.28Å; L192-I218 HydrophobicContact CD2-CG2 3.8Å; L200-I218 HydrophobicContact CD2-CB 4.02Å; L200-I218 HydrophobicContact CD2-CG2 3.83Å; Y214-I218 WeakPolarHBondContact O-CG1 3.42Å; Y214-I218 PolarHBondContact O-N 3.1Å; A215-I218 PolarHBondContact O-N 3.44Å; I218-V221 WeakPolarHBondContact O-CA 3.33Å; I218-V221 WeakPolarHBondContact O-CB 3.45Å; I218-V221 PolarHBondContact O-N 3.35Å; I218-R222 HydrophobicContact CG2-CB 4.3Å; I218-R222 PolarHBondContact O-N 3.23Å; I218-R222 VanDerWaalsContact O-N 3.14Å; I218-L282 HydrophobicContact CD1-CD1 4.01Å; I218-L282 WeakPolarHBondContact CD1-O 3.26Å; I218-A286 HydrophobicContact CD1-CB 3.99Å; I218-A286 HydrophobicContact CG1-CB 4.07Å
219	R	90.7	Very high	90.1	Very high	87 Å²	87	56.1 Å²	56.1	33%	0.328	28%	0.276	S	S	.	.	H	α-helix	trans	-42.5	-55	-171.9	-179.9	173.7	159.6	-157.4	-13.9	115.5	L200 E204 A215 V221 R222 E223	L200-R219 HydrophobicContact CD2-CB 3.98Å; E204-R219 IonicContact OE2-CZ 3.8Å; E204-R219 IonicContact OE2-NH1 3.83Å; E204-R219 PolarHBondContact OE2-NH1 3.37Å; A215-R219 VanDerWaalsContact O-CB 3.26Å; A215-R219 WeakPolarHBondContact O-CB 3.25Å; A215-R219 PolarHBondContact O-N 3.29Å; R219-V221 PolarHBondContact O-N 3.41Å; R219-R222 PolarHBondContact O-N 3.35Å; R219-R222 VanDerWaalsContact O-N 3.07Å; R219-E223 HydrophobicContact CG-CG 4.23Å; R219-E223 WeakPolarHBondContact CG-OE1 3Å; R219-E223 IonicContact CZ-OE1 3.9Å; R219-E223 IonicContact NE-OE1 3.87Å; R219-E223 PolarHBondContact NE-OE1 2.66Å; R219-E223 IonicContact NH2-OE1 3.2Å; R219-E223 PolarHBondContact NH2-OE1 3.4Å; R219-E223 VanDerWaalsContact NH2-OE1 3.09Å; R219-E223 WeakPolarHBondContact O-CG 3.48Å; R219-E223 PolarHBondContact O-N 3.24Å
220	P	89.1	Confident	90.2	Very high	67 Å²	67	49 Å²	49	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-8.8	-178.6	27.3	-37.3	0	0	0	114.9	K216	K216-P220 WeakPolarHBondContact O-CD 3.27Å
221	V	89.9	Confident	90.4	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	22%	0.22	C	C	.	.	H	α-helix	trans	-95.3	-38.7	171.7	-169.9	0	0	0	0	110.7	I218 R219 K224 L228 L289 K293 M296	I218-V221 WeakPolarHBondContact O-CA 3.33Å; I218-V221 WeakPolarHBondContact O-CB 3.45Å; I218-V221 PolarHBondContact O-N 3.35Å; R219-V221 PolarHBondContact O-N 3.41Å; V221-K224 PolarHBondContact O-N 2.91Å; V221-L228 HydrophobicContact CG1-CD1 3.87Å; V221-L228 HydrophobicContact CG1-CD2 4.19Å; V221-L228 HydrophobicContact CG1-CG 4.45Å; V221-L289 HydrophobicContact CB-CD1 4.28Å; V221-L289 HydrophobicContact CG2-CD1 3.73Å; V221-K293 HydrophobicContact CG2-CD 4.48Å; V221-K293 HydrophobicContact CG2-CG 4.27Å; V221-M296 HydrophobicContact CG1-CE 3.69Å; V221-M296 HydrophobicContact CG1-SD 4.43Å
222	R	89.8	Confident	90.5	Very high	17 Å²	17	40.3 Å²	40.3	6%	0.064	20%	0.201	C	C	.	.	H	α-helix	trans	-71.8	-26.3	174.3	-171.8	60.9	178.4	122.4	-4.7	113.2	L192 M193 L195 I218 R219 K224 G225 E317	L192-R222 WeakPolarHBondContact O-CD 3.32Å; L192-R222 PolarHBondContact O-NE 3.32Å; M193-R222 PolarHBondContact O-NH2 2.94Å; M193-R222 PolarHBondContact SD-NH1 2.78Å; L195-R222 PolarHBondContact O-NE 3.25Å; I218-R222 HydrophobicContact CG2-CB 4.3Å; I218-R222 PolarHBondContact O-N 3.23Å; I218-R222 VanDerWaalsContact O-N 3.14Å; R219-R222 PolarHBondContact O-N 3.35Å; R219-R222 VanDerWaalsContact O-N 3.07Å; R222-K224 PolarHBondContact O-N 2.94Å; R222-G225 PolarHBondContact O-N 3.4Å; R222-E317 IonicContact CZ-OE2 3.82Å; R222-E317 IonicContact NH1-OE1 2.76Å; R222-E317 IonicContact NH1-OE2 3.45Å; R222-E317 PolarHBondContact NH1-OE2 3Å; R222-E317 IonicContact NH2-OE2 3.81Å
223	E	85.8	Confident	90.6	Very high	81 Å²	81	40.9 Å²	40.9	38%	0.379	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.4	170.5	-79.9	171.1	173.4	0	0	111.3	K197 R219 G225	K197-E223 PolarHBondContact NZ-O 2.99Å; R219-E223 HydrophobicContact CG-CG 4.23Å; R219-E223 WeakPolarHBondContact CG-OE1 3Å; R219-E223 IonicContact CZ-OE1 3.9Å; R219-E223 IonicContact NE-OE1 3.87Å; R219-E223 PolarHBondContact NE-OE1 2.66Å; R219-E223 IonicContact NH2-OE1 3.2Å; R219-E223 PolarHBondContact NH2-OE1 3.4Å; R219-E223 VanDerWaalsContact NH2-OE1 3.09Å; R219-E223 WeakPolarHBondContact O-CG 3.48Å; R219-E223 PolarHBondContact O-N 3.24Å; E223-G225 PolarHBondContact O-N 2.93Å
224	K	85.9	Confident	90.6	Very high	129 Å²	129	40.3 Å²	40.3	56%	0.561	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	53	173.4	-59.5	-172.3	-179.6	-175	0	112.6	V221 R222 N226 L227 L228	V221-K224 PolarHBondContact O-N 2.91Å; R222-K224 PolarHBondContact O-N 2.94Å; K224-N226 PolarHBondContact O-N 3.45Å; K224-L227 HydrophobicContact CB-CB 4.24Å; K224-L227 HydrophobicContact CD-CD2 4.17Å; K224-L227 PolarHBondContact O-N 3.37Å; K224-L227 VanDerWaalsContact O-N 3.11Å; K224-L228 PolarHBondContact O-N 2.85Å
225	G	87.8	Confident	90.6	Very high	4 Å²	4	37.8 Å²	37.8	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-47	-57.4	-172.3	0	0	0	0	0	115.4	R222 E223 L227 L228 L229 E317	R222-G225 PolarHBondContact O-N 3.4Å; E223-G225 PolarHBondContact O-N 2.93Å; G225-L227 VanDerWaalsContact C-N 3.31Å; G225-L227 PolarHBondContact O-N 3.44Å; G225-L228 WeakPolarHBondContact O-CB 3.42Å; G225-L228 PolarHBondContact O-N 3.12Å; G225-L228 VanDerWaalsContact O-N 3.11Å; G225-L229 WeakPolarHBondContact O-CB 3.23Å; G225-L229 PolarHBondContact O-N 2.89Å; G225-E317 WeakPolarHBondContact CA-OE2 3.46Å
226	N	88.5	Confident	90.6	Very high	10 Å²	10	39 Å²	39	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-36.7	-180	-75	-39.9	0	0	0	113.2	K224 L229 C230 L310 D311	K224-N226 PolarHBondContact O-N 3.45Å; N226-L229 PolarHBondContact O-N 2.95Å; N226-C230 WeakPolarHBondContact O-CB 3.4Å; N226-C230 PolarHBondContact O-N 2.97Å; N226-C230 PolarHBondContact O-SG 2.95Å; N226-L310 HydrophobicContact CB-CB 4.43Å; N226-D311 WeakPolarHBondContact CB-OD1 3.45Å; N226-D311 PolarHBondContact ND2-OD1 3.48Å
227	L	90.9	Very high	90.6	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-68.6	-39.8	176	-179.7	64.5	0	0	0	111.9	K224 G225 T231 M296 A303 F304	K224-L227 HydrophobicContact CB-CB 4.24Å; K224-L227 HydrophobicContact CD-CD2 4.17Å; K224-L227 PolarHBondContact O-N 3.37Å; K224-L227 VanDerWaalsContact O-N 3.11Å; G225-L227 VanDerWaalsContact C-N 3.31Å; G225-L227 PolarHBondContact O-N 3.44Å; L227-T231 VanDerWaalsContact O-CB 3.3Å; L227-T231 WeakPolarHBondContact O-CB 3.24Å; L227-T231 PolarHBondContact O-N 2.87Å; L227-T231 PolarHBondContact O-OG1 2.9Å; L227-M296 HydrophobicContact CD2-CE 4.46Å; L227-M296 HydrophobicContact CD2-CG 4.24Å; L227-M296 HydrophobicContact CD2-SD 3.96Å; L227-M296 HydrophobicContact CG-CE 4.23Å; L227-M296 HydrophobicContact CG-CG 4.3Å; L227-M296 HydrophobicContact CG-SD 4.28Å; L227-A303 HydrophobicContact CD1-CB 3.92Å; L227-F304 HydrophobicContact CD1-CB 4.42Å
228	L	91.5	Very high	90.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-42	174.5	178.9	62.2	0	0	0	111.2	L192 M193 V221 K224 G225 T231 L232 T292 M296	L192-L228 HydrophobicContact CB-CD2 4.23Å; L192-L228 HydrophobicContact CD1-CD1 4.45Å; L192-L228 HydrophobicContact CD1-CD2 4.27Å; M193-L228 HydrophobicContact CE-CB 3.85Å; M193-L228 HydrophobicContact CE-CD2 3.75Å; M193-L228 HydrophobicContact CE-CG 3.56Å; V221-L228 HydrophobicContact CG1-CD1 3.87Å; V221-L228 HydrophobicContact CG1-CD2 4.19Å; V221-L228 HydrophobicContact CG1-CG 4.45Å; K224-L228 PolarHBondContact O-N 2.85Å; G225-L228 WeakPolarHBondContact O-CB 3.42Å; G225-L228 PolarHBondContact O-N 3.12Å; G225-L228 VanDerWaalsContact O-N 3.11Å; L228-T231 WeakPolarHBondContact O-CB 3.11Å; L228-T231 PolarHBondContact O-N 3.07Å; L228-L232 HydrophobicContact CD1-CD1 3.8Å; L228-L232 HydrophobicContact CD1-CG 4.03Å; L228-L232 HydrophobicContact CG-CD1 3.96Å; L228-L232 HydrophobicContact CG-CG 4.5Å; L228-L232 WeakPolarHBondContact O-CG 3.13Å; L228-L232 PolarHBondContact O-N 3.28Å; L228-T292 HydrophobicContact CD1-CG2 3.51Å; L228-M296 HydrophobicContact CB-CE 3.85Å; L228-M296 HydrophobicContact CD1-CE 3.9Å; L228-M296 HydrophobicContact CG-CE 4.49Å
229	L	90.8	Very high	90.7	Very high	43 Å²	43	40.5 Å²	40.5	23%	0.225	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-52.1	176.9	-176.6	65.4	0	0	0	111.1	M193 G225 N226 T231 L232 L233	M193-L229 HydrophobicContact CE-CB 3.73Å; M193-L229 HydrophobicContact CE-CD1 4.25Å; M193-L229 VanDerWaalsContact CE-N 3.33Å; M193-L229 HydrophobicContact CG-CD1 4.34Å; M193-L229 HydrophobicContact SD-CB 4.39Å; M193-L229 HydrophobicContact SD-CD1 4.34Å; G225-L229 WeakPolarHBondContact O-CB 3.23Å; G225-L229 PolarHBondContact O-N 2.89Å; N226-L229 PolarHBondContact O-N 2.95Å; L229-T231 VanDerWaalsContact C-N 3.29Å; L229-T231 PolarHBondContact O-N 3.18Å; L229-L232 PolarHBondContact O-N 3.12Å; L229-L233 HydrophobicContact CD1-CD1 3.84Å; L229-L233 HydrophobicContact CD1-CG 4.18Å; L229-L233 HydrophobicContact CG-CD1 3.9Å; L229-L233 WeakPolarHBondContact O-CB 3.34Å; L229-L233 VanDerWaalsContact O-CG 3.31Å; L229-L233 WeakPolarHBondContact O-CG 3.08Å; L229-L233 PolarHBondContact O-N 3.41Å
230	C	91.9	Very high	90.8	Very high	13 Å²	13	37.4 Å²	37.4	9%	0.088	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-40.4	175.5	-66.1	0	0	0	0	112.1	N226 L234 A303	N226-C230 WeakPolarHBondContact O-CB 3.4Å; N226-C230 PolarHBondContact O-N 2.97Å; N226-C230 PolarHBondContact O-SG 2.95Å; C230-L234 VanDerWaalsContact O-CB 3.24Å; C230-L234 WeakPolarHBondContact O-CB 2.92Å; C230-L234 WeakPolarHBondContact O-CD1 3.23Å; C230-L234 WeakPolarHBondContact O-CG 3.03Å; C230-L234 PolarHBondContact O-N 2.78Å; C230-A303 HydrophobicContact CB-CB 4.07Å
231	T	92.7	Very high	90.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-51.9	176.5	-63.7	0	0	0	0	112.1	L227 L228 L229 G235 F295 M296 T299	L227-T231 VanDerWaalsContact O-CB 3.3Å; L227-T231 WeakPolarHBondContact O-CB 3.24Å; L227-T231 PolarHBondContact O-N 2.87Å; L227-T231 PolarHBondContact O-OG1 2.9Å; L228-T231 WeakPolarHBondContact O-CB 3.11Å; L228-T231 PolarHBondContact O-N 3.07Å; L229-T231 VanDerWaalsContact C-N 3.29Å; L229-T231 PolarHBondContact O-N 3.18Å; T231-G235 PolarHBondContact O-N 3.29Å; T231-F295 HydrophobicContact CG2-CB 4.24Å; T231-M296 HydrophobicContact CG2-CB 4Å; T231-T299 PolarHBondContact OG1-OG1 2.93Å
232	L	92.7	Very high	90.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-71.5	-37.8	-174.9	-66.2	173.8	0	0	0	112.1	F185 L188 N189 L192 L228 L229 G235 N236 T292	F185-L232 HydrophobicContact CD1-CD2 3.91Å; L188-L232 HydrophobicContact CB-CD1 4.4Å; L188-L232 HydrophobicContact CB-CD2 4.25Å; N189-L232 HydrophobicContact CB-CB 4.23Å; N189-L232 HydrophobicContact CB-CD1 4.39Å; L192-L232 HydrophobicContact CD1-CD1 4.39Å; L228-L232 HydrophobicContact CD1-CD1 3.8Å; L228-L232 HydrophobicContact CD1-CG 4.03Å; L228-L232 HydrophobicContact CG-CD1 3.96Å; L228-L232 HydrophobicContact CG-CG 4.5Å; L228-L232 WeakPolarHBondContact O-CG 3.13Å; L228-L232 PolarHBondContact O-N 3.28Å; L229-L232 PolarHBondContact O-N 3.12Å; L232-G235 PolarHBondContact O-N 3.49Å; L232-N236 PolarHBondContact O-N 2.87Å; L232-T292 HydrophobicContact CD2-CG2 4.42Å
233	L	92.7	Very high	91	Very high	80 Å²	80	38.6 Å²	38.6	42%	0.419	21%	0.208	S	C	.	.	H	α-helix	trans	-67.5	-44.6	175.6	-68.3	177.3	0	0	0	112.2	L229 G235 N236 V237	L229-L233 HydrophobicContact CD1-CD1 3.84Å; L229-L233 HydrophobicContact CD1-CG 4.18Å; L229-L233 HydrophobicContact CG-CD1 3.9Å; L229-L233 WeakPolarHBondContact O-CB 3.34Å; L229-L233 VanDerWaalsContact O-CG 3.31Å; L229-L233 WeakPolarHBondContact O-CG 3.08Å; L229-L233 PolarHBondContact O-N 3.41Å; L233-G235 VanDerWaalsContact C-N 3.31Å; L233-G235 PolarHBondContact O-N 3.42Å; L233-N236 PolarHBondContact O-N 3.1Å; L233-V237 WeakPolarHBondContact O-CG2 3.37Å; L233-V237 PolarHBondContact O-N 2.85Å
234	L	92.3	Very high	91.1	Very high	61 Å²	61	37 Å²	37	32%	0.319	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-40.2	174.3	-72.7	170.3	0	0	0	111.3	C230 L238 I302 A303	C230-L234 VanDerWaalsContact O-CB 3.24Å; C230-L234 WeakPolarHBondContact O-CB 2.92Å; C230-L234 WeakPolarHBondContact O-CD1 3.23Å; C230-L234 WeakPolarHBondContact O-CG 3.03Å; C230-L234 PolarHBondContact O-N 2.78Å; L234-L238 WeakPolarHBondContact O-CB 3.44Å; L234-L238 PolarHBondContact O-N 3.09Å; L234-I302 HydrophobicContact CD1-CB 4.45Å; L234-I302 HydrophobicContact CD1-CG2 3.94Å; L234-A303 HydrophobicContact CD1-CB 4.17Å
235	G	91.6	Very high	91.2	Very high	6 Å²	6	36 Å²	36	6%	0.062	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-49.9	173.8	0	0	0	0	0	112.9	F185 T231 L232 L233 L238 V239	F185-G235 VanDerWaalsContact CD2-C 3.44Å; T231-G235 PolarHBondContact O-N 3.29Å; L232-G235 PolarHBondContact O-N 3.49Å; L233-G235 VanDerWaalsContact C-N 3.31Å; L233-G235 PolarHBondContact O-N 3.42Å; G235-L238 PolarHBondContact O-N 3.37Å; G235-V239 WeakPolarHBondContact O-CB 3.09Å; G235-V239 WeakPolarHBondContact O-CG2 3.34Å; G235-V239 PolarHBondContact O-N 2.67Å
236	N	92.5	Very high	91.2	Very high	24 Å²	24	36.4 Å²	36.4	13%	0.128	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-46.5	179	-167.4	53.1	0	0	0	112.1	F185 L232 L233 V239 N240	F185-N236 HydrophobicContact CB-CB 4.05Å; L232-N236 PolarHBondContact O-N 2.87Å; L233-N236 PolarHBondContact O-N 3.1Å; N236-V239 PolarHBondContact O-N 3.33Å; N236-N240 PolarHBondContact ND2-ND2 3.12Å; N236-N240 WeakPolarHBondContact O-CB 3.28Å; N236-N240 PolarHBondContact O-N 3.13Å; N236-N240 PolarHBondContact O-OD1 3.12Å; N236-N240 PolarHBondContact OD1-ND2 3.5Å
237	V	92.7	Very high	91	Very high	90 Å²	90	37.7 Å²	37.7	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-43.3	179.1	172.8	0	0	0	0	111.6	L233 T241	L233-V237 WeakPolarHBondContact O-CG2 3.37Å; L233-V237 PolarHBondContact O-N 2.85Å; V237-T241 HydrophobicContact CG1-CG2 4.49Å; V237-T241 WeakPolarHBondContact O-CB 3.4Å; V237-T241 WeakPolarHBondContact O-CG2 3.36Å; V237-T241 PolarHBondContact O-N 3.02Å; V237-T241 PolarHBondContact O-OG1 2.88Å
238	L	92.4	Very high	90.7	Very high	111 Å²	111	40.7 Å²	40.7	58%	0.581	23%	0.228	S	C	*	.	H	α-helix	trans	-63.9	-41.2	178.5	-178.2	150.5	0	0	0	111.8	L234 G235 T241 S242	L234-L238 WeakPolarHBondContact O-CB 3.44Å; L234-L238 PolarHBondContact O-N 3.09Å; G235-L238 PolarHBondContact O-N 3.37Å; L238-T241 PolarHBondContact O-OG1 3.22Å; L238-T241 VanDerWaalsContact O-OG1 3.09Å; L238-S242 VanDerWaalsContact O-CB 3.3Å; L238-S242 WeakPolarHBondContact O-CB 3.46Å; L238-S242 PolarHBondContact O-N 2.89Å; L238-S242 VanDerWaalsContact O-N 3.12Å; L238-S242 PolarHBondContact O-OG 2.86Å
239	V	93	Very high	90.2	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-48.3	177.6	170.4	0	0	0	0	111.5	L178 L181 F185 G235 N236 T241 S242 L243	L178-V239 HydrophobicContact CB-CG1 4.11Å; L178-V239 HydrophobicContact CD2-CB 4.37Å; L178-V239 HydrophobicContact CD2-CG1 3.86Å; L178-V239 HydrophobicContact CD2-CG2 4.15Å; L178-V239 WeakPolarHBondContact O-CG1 3.35Å; L181-V239 HydrophobicContact CB-CG1 4.28Å; L181-V239 HydrophobicContact CB-CG2 4.05Å; F185-V239 HydrophobicContact CD2-CG2 3.93Å; F185-V239 HydrophobicContact CE2-CG2 3.69Å; G235-V239 WeakPolarHBondContact O-CB 3.09Å; G235-V239 WeakPolarHBondContact O-CG2 3.34Å; G235-V239 PolarHBondContact O-N 2.67Å; N236-V239 PolarHBondContact O-N 3.33Å; V239-T241 VanDerWaalsContact C-N 3.3Å; V239-T241 PolarHBondContact O-N 2.89Å; V239-S242 PolarHBondContact O-N 2.78Å; V239-L243 WeakPolarHBondContact O-CB 3.23Å; V239-L243 PolarHBondContact O-N 2.95Å
240	N	92	Very high	89.6	Confident	22 Å²	22	46 Å²	46	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-33.3	-176.1	-68.6	1	0	0	0	112.3	S182 N236 T244 I265 E270	S182-N240 WeakPolarHBondContact CB-OD1 3.4Å; S182-N240 PolarHBondContact OG-OD1 2.7Å; N236-N240 PolarHBondContact ND2-ND2 3.12Å; N236-N240 WeakPolarHBondContact O-CB 3.28Å; N236-N240 PolarHBondContact O-N 3.13Å; N236-N240 PolarHBondContact O-OD1 3.12Å; N236-N240 PolarHBondContact OD1-ND2 3.5Å; N240-T244 PolarHBondContact O-N 3Å; N240-T244 PolarHBondContact O-OG1 3.36Å; N240-I265 HydrophobicContact CB-CD1 4.23Å; N240-I265 HydrophobicContact CB-CG2 4.42Å; N240-I265 WeakPolarHBondContact ND2-CG2 3.43Å; N240-E270 PolarHBondContact ND2-OE1 2.94Å
241	T	92	Very high	88.8	Confident	75 Å²	75	47.7 Å²	47.7	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-71.1	-48.6	172.6	49.8	0	0	0	0	112	V237 L238 V239 L243 T244 I245	V237-T241 HydrophobicContact CG1-CG2 4.49Å; V237-T241 WeakPolarHBondContact O-CB 3.4Å; V237-T241 WeakPolarHBondContact O-CG2 3.36Å; V237-T241 PolarHBondContact O-N 3.02Å; V237-T241 PolarHBondContact O-OG1 2.88Å; L238-T241 PolarHBondContact O-OG1 3.22Å; L238-T241 VanDerWaalsContact O-OG1 3.09Å; V239-T241 VanDerWaalsContact C-N 3.3Å; V239-T241 PolarHBondContact O-N 2.89Å; T241-L243 VanDerWaalsContact C-N 3.3Å; T241-L243 PolarHBondContact O-N 3.25Å; T241-T244 PolarHBondContact O-N 3.29Å; T241-I245 WeakPolarHBondContact O-CG1 3.48Å; T241-I245 PolarHBondContact O-N 3.12Å; T241-I245 VanDerWaalsContact O-N 3.12Å
242	S	90.3	Very high	87.6	Confident	42 Å²	42	50 Å²	50	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-58.1	-42.4	176.9	-59.2	0	0	0	0	112.3	L238 V239 I245 L246	L238-S242 VanDerWaalsContact O-CB 3.3Å; L238-S242 WeakPolarHBondContact O-CB 3.46Å; L238-S242 PolarHBondContact O-N 2.89Å; L238-S242 VanDerWaalsContact O-N 3.12Å; L238-S242 PolarHBondContact O-OG 2.86Å; V239-S242 PolarHBondContact O-N 2.78Å; S242-I245 PolarHBondContact O-N 2.93Å; S242-L246 WeakPolarHBondContact O-CG 3.3Å; S242-L246 PolarHBondContact O-N 3.48Å
243	L	90.5	Very high	86.7	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-37.9	178.2	178	54	0	0	0	112.4	I175 L178 F179 V239 T241 M247 I265	I175-L243 HydrophobicContact CB-CD1 4.3Å; I175-L243 HydrophobicContact CG1-CD1 4.26Å; I175-L243 HydrophobicContact CG2-CD1 3.89Å; L178-L243 HydrophobicContact CB-CB 4.22Å; L178-L243 HydrophobicContact CB-CD1 4.12Å; L178-L243 HydrophobicContact CB-CD2 4.41Å; L178-L243 HydrophobicContact CB-CG 4.5Å; L178-L243 HydrophobicContact CD1-CB 4.41Å; F179-L243 HydrophobicContact CD1-CD2 3.68Å; F179-L243 HydrophobicContact CD2-CD1 4.16Å; F179-L243 HydrophobicContact CD2-CD2 4.47Å; F179-L243 HydrophobicContact CE1-CD2 3.67Å; F179-L243 HydrophobicContact CE1-CG 4.44Å; F179-L243 HydrophobicContact CE2-CD1 3.93Å; F179-L243 HydrophobicContact CE2-CD2 4.48Å; F179-L243 HydrophobicContact CG-CD2 4.08Å; F179-L243 HydrophobicContact CZ-CD1 4.11Å; F179-L243 HydrophobicContact CZ-CD2 4.1Å; F179-L243 HydrophobicContact CZ-CG 4.41Å; V239-L243 WeakPolarHBondContact O-CB 3.23Å; V239-L243 PolarHBondContact O-N 2.95Å; T241-L243 VanDerWaalsContact C-N 3.3Å; T241-L243 PolarHBondContact O-N 3.25Å; L243-M247 WeakPolarHBondContact O-CB 3.13Å; L243-M247 PolarHBondContact O-N 2.84Å; L243-M247 VanDerWaalsContact O-N 3.08Å; L243-I265 HydrophobicContact CD2-CD1 4.1Å; L243-I265 HydrophobicContact CD2-CG1 3.68Å; L243-I265 HydrophobicContact CG-CD1 4.28Å; L243-I265 HydrophobicContact CG-CG1 4.32Å
244	T	89.2	Confident	85.9	Confident	48 Å²	48	52.3 Å²	52.3	29%	0.294	31%	0.31	S	S	.	.	H	α-helix	trans	-66.8	-42	175.7	-62	0	0	0	0	111.7	N240 T241 M247 D248 S261	N240-T244 PolarHBondContact O-N 3Å; N240-T244 PolarHBondContact O-OG1 3.36Å; T241-T244 PolarHBondContact O-N 3.29Å; T244-M247 PolarHBondContact O-N 3.38Å; T244-D248 PolarHBondContact O-N 3.4Å; T244-S261 PolarHBondContact OG1-OG 3.41Å
245	I	87.8	Confident	85.5	Confident	107 Å²	107	55.8 Å²	55.8	55%	0.549	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-48.6	176.4	-64.7	164.7	0	0	0	110.5	T241 S242 M247 D248 D249	T241-I245 WeakPolarHBondContact O-CG1 3.48Å; T241-I245 PolarHBondContact O-N 3.12Å; T241-I245 VanDerWaalsContact O-N 3.12Å; S242-I245 PolarHBondContact O-N 2.93Å; I245-M247 PolarHBondContact O-N 2.91Å; I245-D248 WeakPolarHBondContact O-CB 3.48Å; I245-D248 PolarHBondContact O-N 3.37Å; I245-D248 VanDerWaalsContact O-N 3.07Å; I245-D249 PolarHBondContact O-N 3.04Å; I245-D249 VanDerWaalsContact O-N 3.12Å
246	L	86.6	Confident	85	Confident	14 Å²	14	62 Å²	62	7%	0.073	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-24.3	-179.5	-69.7	165.7	0	0	0	113.5	M166 Q171 L174 I175 L178 S242 L250	M166-L246 HydrophobicContact CE-CD2 3.54Å; Q171-L246 PolarHBondContact NE2-O 2.72Å; L174-L246 HydrophobicContact CD2-CD1 3.58Å; L174-L246 HydrophobicContact CD2-CD2 4.37Å; L174-L246 HydrophobicContact CG-CD1 3.9Å; I175-L246 HydrophobicContact CD1-CB 4.18Å; I175-L246 HydrophobicContact CG1-CB 3.93Å; L178-L246 HydrophobicContact CD1-CD1 3.41Å; L178-L246 VanDerWaalsContact CD1-CD1 3.41Å; S242-L246 WeakPolarHBondContact O-CG 3.3Å; S242-L246 PolarHBondContact O-N 3.48Å; L246-L250 WeakPolarHBondContact O-CB 3.23Å; L246-L250 PolarHBondContact O-N 3.1Å; L246-L250 VanDerWaalsContact O-N 3.14Å
247	M	85	Confident	84.5	Confident	36 Å²	36	60.9 Å²	60.9	18%	0.177	35%	0.348	C	S	.	.	H	α-helix	trans	-75.2	-29.8	173.4	-161.6	68.6	176.3	0	0	112.3	L243 T244 I245 L250 T251	L243-M247 WeakPolarHBondContact O-CB 3.13Å; L243-M247 PolarHBondContact O-N 2.84Å; L243-M247 VanDerWaalsContact O-N 3.08Å; T244-M247 PolarHBondContact O-N 3.38Å; I245-M247 PolarHBondContact O-N 2.91Å; M247-L250 HydrophobicContact SD-CD2 4.47Å; M247-T251 HydrophobicContact CE-CG2 4.2Å; M247-T251 HydrophobicContact CG-CG2 4.46Å; M247-T251 WeakPolarHBondContact O-CB 3.44Å; M247-T251 WeakPolarHBondContact O-CG2 3.48Å; M247-T251 PolarHBondContact O-N 3.45Å; M247-T251 PolarHBondContact O-OG1 2.79Å
248	D	85.1	Confident	84.2	Confident	76 Å²	76	60.6 Å²	60.6	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-70.4	-49.5	173	-163.1	23.4	0	0	0	110.6	T244 I245 L250 T251 G252 G254 A257	T244-D248 PolarHBondContact O-N 3.4Å; I245-D248 WeakPolarHBondContact O-CB 3.48Å; I245-D248 PolarHBondContact O-N 3.37Å; I245-D248 VanDerWaalsContact O-N 3.07Å; D248-L250 PolarHBondContact O-N 3.5Å; D248-L250 VanDerWaalsContact O-N 3.16Å; D248-T251 PolarHBondContact O-N 3.09Å; D248-G252 PolarHBondContact O-N 3.02Å; D248-G254 WeakPolarHBondContact OD1-CA 3.33Å; D248-G254 PolarHBondContact OD1-N 2.95Å; D248-A257 VanDerWaalsContact CA-CB 3.45Å; D248-A257 HydrophobicContact CB-CB 3.8Å
249	D	80	Confident	84.1	Confident	95 Å²	95	59.6 Å²	59.6	51%	0.508	34%	0.34	S	S	.	.	H	α-helix	trans	-53.9	-34.7	171.6	-78.5	-28.3	0	0	0	112.7	Q171 I245	Q171-D249 VanDerWaalsContact NE2-C 3.31Å; I245-D249 PolarHBondContact O-N 3.04Å; I245-D249 VanDerWaalsContact O-N 3.12Å
250	L	77.5	Confident	83.8	Confident	60 Å²	60	60.7 Å²	60.7	31%	0.314	35%	0.352	S	S	.	.	H	α-helix	trans	-80.8	-42.1	-177.6	-175.9	64.6	0	0	0	112.6	L168 I172 I175 L246 M247 D248	L168-L250 HydrophobicContact CG-CD1 4.23Å; I172-L250 HydrophobicContact CG1-CD1 4.32Å; I172-L250 HydrophobicContact CG1-CD2 4.38Å; I175-L250 HydrophobicContact CD1-CB 4.21Å; I175-L250 HydrophobicContact CD1-CD2 3.69Å; L246-L250 WeakPolarHBondContact O-CB 3.23Å; L246-L250 PolarHBondContact O-N 3.1Å; L246-L250 VanDerWaalsContact O-N 3.14Å; M247-L250 HydrophobicContact SD-CD2 4.47Å; D248-L250 PolarHBondContact O-N 3.5Å; D248-L250 VanDerWaalsContact O-N 3.16Å
251	T	76.6	Confident	83.7	Confident	48 Å²	48	59.8 Å²	59.8	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-87.4	-23.5	-174.6	57.5	0	0	0	0	113	M247 D248 N253 A257	M247-T251 HydrophobicContact CE-CG2 4.2Å; M247-T251 HydrophobicContact CG-CG2 4.46Å; M247-T251 WeakPolarHBondContact O-CB 3.44Å; M247-T251 WeakPolarHBondContact O-CG2 3.48Å; M247-T251 PolarHBondContact O-N 3.45Å; M247-T251 PolarHBondContact O-OG1 2.79Å; D248-T251 PolarHBondContact O-N 3.09Å; T251-N253 PolarHBondContact O-N 3.06Å; T251-A257 WeakPolarHBondContact OG1-CB 3.41Å
252	G	67.7	Low	83.6	Confident	48 Å²	48	59.9 Å²	59.9	50%	0.495	35%	0.348	S	S	.	.	S	Bend	trans	67.3	1.1	179.9	0	0	0	0	0	115.1	D248	D248-G252 PolarHBondContact O-N 3.02Å
253	N	73.4	Confident	83.7	Confident	99 Å²	99	62.5 Å²	62.5	53%	0.529	36%	0.358	S	S	.	.			trans	-136.4	91.2	-176	-75.4	61.6	0	0	0	108.5	T251 L255 F256 A257	T251-N253 PolarHBondContact O-N 3.06Å; N253-L255 PolarHBondContact O-N 2.79Å; N253-F256 HydrophobicContact CB-CD2 3.83Å; N253-F256 WeakPolarHBondContact O-CA 3.29Å; N253-F256 PolarHBondContact O-N 3.15Å; N253-A257 PolarHBondContact O-N 3.02Å; N253-A257 VanDerWaalsContact O-N 3.12Å
254	G	76.1	Confident	83.7	Confident	32 Å²	32	63 Å²	63	33%	0.33	36%	0.363	S	S	.	.	H	α-helix	trans	-51.3	-24.9	-171.6	0	0	0	0	0	117.3	D248 A257 V258	D248-G254 WeakPolarHBondContact OD1-CA 3.33Å; D248-G254 PolarHBondContact OD1-N 2.95Å; G254-A257 WeakPolarHBondContact O-CB 3.41Å; G254-A257 PolarHBondContact O-N 3.3Å; G254-V258 WeakPolarHBondContact O-CG2 3.45Å; G254-V258 PolarHBondContact O-N 3.12Å
255	L	82.9	Confident	83.8	Confident	133 Å²	133	61.3 Å²	61.3	70%	0.696	35%	0.352	S	S	*	.	H	α-helix	trans	-65.9	-43.6	172	-169.1	71.1	0	0	0	112.3	N253 I259	N253-L255 PolarHBondContact O-N 2.79Å; L255-I259 HydrophobicContact CD1-CD1 4.45Å; L255-I259 HydrophobicContact CG-CD1 4.17Å; L255-I259 WeakPolarHBondContact O-CD1 3.2Å; L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.23Å; L255-I259 PolarHBondContact O-N 3.38Å
256	F	81.4	Confident	84	Confident	137 Å²	137	58.9 Å²	58.9	60%	0.601	34%	0.342	S	S	*	.	H	α-helix	trans	-71.9	-33.2	173.8	-71.2	-72.5	0	0	0	111.5	N253 G260	N253-F256 HydrophobicContact CB-CD2 3.83Å; N253-F256 WeakPolarHBondContact O-CA 3.29Å; N253-F256 PolarHBondContact O-N 3.15Å; F256-G260 WeakPolarHBondContact O-CA 3.31Å; F256-G260 PolarHBondContact O-N 3.01Å
257	A	82.4	Confident	84.3	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-57.7	-53.6	173.1	0	0	0	0	0	111.8	D248 T251 N253 G254 G260 S261	D248-A257 VanDerWaalsContact CA-CB 3.45Å; D248-A257 HydrophobicContact CB-CB 3.8Å; T251-A257 WeakPolarHBondContact OG1-CB 3.41Å; N253-A257 PolarHBondContact O-N 3.02Å; N253-A257 VanDerWaalsContact O-N 3.12Å; G254-A257 WeakPolarHBondContact O-CB 3.41Å; G254-A257 PolarHBondContact O-N 3.3Å; A257-G260 PolarHBondContact O-N 3.15Å; A257-S261 VanDerWaalsContact O-CB 3.25Å; A257-S261 WeakPolarHBondContact O-CB 3.31Å; A257-S261 PolarHBondContact O-N 3.5Å; A257-S261 PolarHBondContact O-OG 2.86Å
258	V	87	Confident	84.5	Confident	83 Å²	83	65.6 Å²	65.6	50%	0.503	38%	0.378	S	S	.	.	H	α-helix	trans	-66.4	-43.3	-177.7	169.8	0	0	0	0	112	G254 S261 T262	G254-V258 WeakPolarHBondContact O-CG2 3.45Å; G254-V258 PolarHBondContact O-N 3.12Å; V258-S261 PolarHBondContact O-OG 3.06Å; V258-T262 WeakPolarHBondContact O-CB 3.37Å; V258-T262 PolarHBondContact O-N 3.24Å; V258-T262 PolarHBondContact O-OG1 3.22Å
259	I	89.8	Confident	84.7	Confident	91 Å²	91	62 Å²	62	47%	0.467	36%	0.359	S	S	.	.	H	α-helix	trans	-66.9	-45.1	178.1	-65.8	169.2	0	0	0	110.2	L255 I263	L255-I259 HydrophobicContact CD1-CD1 4.45Å; L255-I259 HydrophobicContact CG-CD1 4.17Å; L255-I259 WeakPolarHBondContact O-CD1 3.2Å; L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.23Å; L255-I259 PolarHBondContact O-N 3.38Å; I259-I263 HydrophobicContact CG2-CD1 3.82Å; I259-I263 WeakPolarHBondContact O-CB 3.45Å; I259-I263 WeakPolarHBondContact O-CG1 3.4Å; I259-I263 PolarHBondContact O-N 3.5Å
260	G	86.9	Confident	85.2	Confident	27 Å²	27	59.9 Å²	59.9	28%	0.278	35%	0.346	S	S	.	.	H	α-helix	trans	-66.2	-43.5	179.5	0	0	0	0	0	113.3	F256 A257 G264	F256-G260 WeakPolarHBondContact O-CA 3.31Å; F256-G260 PolarHBondContact O-N 3.01Å; A257-G260 PolarHBondContact O-N 3.15Å; G260-G264 PolarHBondContact O-N 3.18Å
261	S	88.9	Confident	85.9	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-67.3	-41.8	176.9	75.6	0	0	0	0	111	T244 A257 V258 G264 I265	T244-S261 PolarHBondContact OG1-OG 3.41Å; A257-S261 VanDerWaalsContact O-CB 3.25Å; A257-S261 WeakPolarHBondContact O-CB 3.31Å; A257-S261 PolarHBondContact O-N 3.5Å; A257-S261 PolarHBondContact O-OG 2.86Å; V258-S261 PolarHBondContact O-OG 3.06Å; S261-G264 PolarHBondContact O-N 3.5Å; S261-I265 VanDerWaalsContact O-CB 3.22Å; S261-I265 WeakPolarHBondContact O-CB 3.49Å; S261-I265 WeakPolarHBondContact O-CD1 3.5Å; S261-I265 WeakPolarHBondContact O-CG1 3.37Å; S261-I265 PolarHBondContact O-N 3.16Å
262	T	90.9	Very high	86.5	Confident	77 Å²	77	65 Å²	65	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-51.6	179.5	-59.4	0	0	0	0	111.2	V258 G264 I265 T266	V258-T262 WeakPolarHBondContact O-CB 3.37Å; V258-T262 PolarHBondContact O-N 3.24Å; V258-T262 PolarHBondContact O-OG1 3.22Å; T262-G264 VanDerWaalsContact C-N 3.34Å; T262-G264 PolarHBondContact O-N 3.32Å; T262-I265 PolarHBondContact O-N 3.14Å; T262-T266 WeakPolarHBondContact O-CB 3.13Å; T262-T266 PolarHBondContact O-N 2.87Å; T262-T266 PolarHBondContact O-OG1 2.84Å
263	I	92.1	Very high	87.6	Confident	97 Å²	97	63.9 Å²	63.9	50%	0.497	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-42.6	178.3	-66.2	171.7	0	0	0	110.6	I259 L267	I259-I263 HydrophobicContact CG2-CD1 3.82Å; I259-I263 WeakPolarHBondContact O-CB 3.45Å; I259-I263 WeakPolarHBondContact O-CG1 3.4Å; I259-I263 PolarHBondContact O-N 3.5Å; I263-L267 HydrophobicContact CG2-CD1 3.78Å; I263-L267 WeakPolarHBondContact O-CB 3.45Å; I263-L267 WeakPolarHBondContact O-CG 3.4Å; I263-L267 PolarHBondContact O-N 3.12Å; I263-L267 VanDerWaalsContact O-N 3.08Å
264	G	90.4	Very high	88.4	Confident	11 Å²	11	62.4 Å²	62.4	11%	0.113	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-49.4	177.8	0	0	0	0	0	112.9	F179 G260 S261 T262 L268	F179-G264 VanDerWaalsContact CE1-C 3.44Å; G260-G264 PolarHBondContact O-N 3.18Å; S261-G264 PolarHBondContact O-N 3.5Å; T262-G264 VanDerWaalsContact C-N 3.34Å; T262-G264 PolarHBondContact O-N 3.32Å; G264-L268 WeakPolarHBondContact O-CA 3.4Å; G264-L268 VanDerWaalsContact O-CB 3.25Å; G264-L268 WeakPolarHBondContact O-CB 3.2Å; G264-L268 PolarHBondContact O-N 3.03Å
265	I	91.6	Very high	89.2	Confident	13 Å²	13	63.4 Å²	63.4	7%	0.067	35%	0.348	C	S	.	.	I	π-helix	trans	-65.9	-51.6	-178.2	-70.1	165.5	0	0	0	109.5	F179 N240 L243 S261 T262 L267 G269 E270	F179-I265 HydrophobicContact CE1-CG1 4.24Å; N240-I265 HydrophobicContact CB-CD1 4.23Å; N240-I265 HydrophobicContact CB-CG2 4.42Å; N240-I265 WeakPolarHBondContact ND2-CG2 3.43Å; L243-I265 HydrophobicContact CD2-CD1 4.1Å; L243-I265 HydrophobicContact CD2-CG1 3.68Å; L243-I265 HydrophobicContact CG-CD1 4.28Å; L243-I265 HydrophobicContact CG-CG1 4.32Å; S261-I265 VanDerWaalsContact O-CB 3.22Å; S261-I265 WeakPolarHBondContact O-CB 3.49Å; S261-I265 WeakPolarHBondContact O-CD1 3.5Å; S261-I265 WeakPolarHBondContact O-CG1 3.37Å; S261-I265 PolarHBondContact O-N 3.16Å; T262-I265 PolarHBondContact O-N 3.14Å; I265-L267 VanDerWaalsContact C-N 3.34Å; I265-L267 PolarHBondContact O-N 3.46Å; I265-G269 CarbonylContact O-C 3.51Å; I265-G269 VanDerWaalsContact O-C 3.31Å; I265-G269 WeakPolarHBondContact O-CA 3.27Å; I265-G269 PolarHBondContact O-N 3.2Å; I265-E270 HydrophobicContact CG2-CG 4.24Å; I265-E270 PolarHBondContact O-N 3.37Å
266	T	92.7	Very high	89.5	Confident	55 Å²	55	60.7 Å²	60.7	34%	0.337	34%	0.336	S	S	.	.	I	π-helix	trans	-62.3	-38.5	-178	-62.5	0	0	0	0	112.3	T262 I271	T262-T266 WeakPolarHBondContact O-CB 3.13Å; T262-T266 PolarHBondContact O-N 2.87Å; T262-T266 PolarHBondContact O-OG1 2.84Å; T266-I271 HydrophobicContact CG2-CD1 3.67Å; T266-I271 HydrophobicContact CG2-CG1 4.3Å; T266-I271 WeakPolarHBondContact O-CB 3.47Å; T266-I271 VanDerWaalsContact O-CG1 3.22Å; T266-I271 WeakPolarHBondContact O-CG1 3.25Å; T266-I271 PolarHBondContact O-N 3.2Å
267	L	91.7	Very high	89.9	Confident	89 Å²	89	54.7 Å²	54.7	47%	0.466	31%	0.311	S	S	.	.	I	π-helix	trans	-81.3	-53.8	178.6	-64.6	177.7	0	0	0	113.4	I263 I265 M272	I263-L267 HydrophobicContact CG2-CD1 3.78Å; I263-L267 WeakPolarHBondContact O-CB 3.45Å; I263-L267 WeakPolarHBondContact O-CG 3.4Å; I263-L267 PolarHBondContact O-N 3.12Å; I263-L267 VanDerWaalsContact O-N 3.08Å; I265-L267 VanDerWaalsContact C-N 3.34Å; I265-L267 PolarHBondContact O-N 3.46Å; L267-M272 WeakPolarHBondContact O-CB 3.4Å; L267-M272 WeakPolarHBondContact O-CG 3.25Å; L267-M272 PolarHBondContact O-N 2.84Å; L267-M272 VanDerWaalsContact O-N 3.08Å
268	L	89.8	Confident	90.1	Very high	102 Å²	102	57.7 Å²	57.7	53%	0.534	33%	0.332	S	S	.	.	I	π-helix	trans	-93.1	-28.4	-169.9	-51.7	172.7	0	0	0	113.4	F179 G264 P273	F179-L268 HydrophobicContact CD1-CB 4.3Å; G264-L268 WeakPolarHBondContact O-CA 3.4Å; G264-L268 VanDerWaalsContact O-CB 3.25Å; G264-L268 WeakPolarHBondContact O-CB 3.2Å; G264-L268 PolarHBondContact O-N 3.03Å; L268-P273 WeakPolarHBondContact O-CD 3.43Å; L268-P273 WeakPolarHBondContact O-CG 3.44Å
269	G	88.3	Confident	90.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.348	C	S	.	.	I	π-helix	trans	-93.7	-22.6	178.8	0	0	0	0	0	114.4	S182 G183 S186 I265	S182-G269 CarbonylContact C-O 3.59Å; S182-G269 WeakPolarHBondContact OG-CA 3.4Å; G183-G269 WeakPolarHBondContact CA-O 3.47Å; G183-G269 PolarHBondContact N-O 3.16Å; S186-G269 WeakPolarHBondContact CB-O 3.35Å; I265-G269 CarbonylContact O-C 3.51Å; I265-G269 VanDerWaalsContact O-C 3.31Å; I265-G269 WeakPolarHBondContact O-CA 3.27Å; I265-G269 PolarHBondContact O-N 3.2Å
270	E	91.1	Very high	90	Very high	52 Å²	52	64.1 Å²	64.1	24%	0.243	35%	0.348	C	S	.	.	I	π-helix	trans	-124	-68.2	-174.6	-59.2	-173	150.6	0	0	113	N240 I265 P273 Q274	N240-E270 PolarHBondContact ND2-OE1 2.94Å; I265-E270 HydrophobicContact CG2-CG 4.24Å; I265-E270 PolarHBondContact O-N 3.37Å; E270-P273 WeakPolarHBondContact O-CD 3.43Å; E270-Q274 VanDerWaalsContact O-CB 3.24Å; E270-Q274 WeakPolarHBondContact O-CB 3.4Å; E270-Q274 WeakPolarHBondContact O-CG 3.39Å; E270-Q274 PolarHBondContact O-N 3.32Å
271	I	91.6	Very high	90	Very high	93 Å²	93	63.2 Å²	63.2	48%	0.477	34%	0.339	S	S	.	.	I	π-helix	trans	-64	-54.2	-169.9	-68.7	170.1	0	0	0	112.6	T266 A275	T266-I271 HydrophobicContact CG2-CD1 3.67Å; T266-I271 HydrophobicContact CG2-CG1 4.3Å; T266-I271 WeakPolarHBondContact O-CB 3.47Å; T266-I271 VanDerWaalsContact O-CG1 3.22Å; T266-I271 WeakPolarHBondContact O-CG1 3.25Å; T266-I271 PolarHBondContact O-N 3.2Å; I271-A275 VanDerWaalsContact O-CB 3.31Å; I271-A275 WeakPolarHBondContact O-CB 3.46Å; I271-A275 PolarHBondContact O-N 3.38Å
272	M	90.2	Very high	90.1	Very high	123 Å²	123	64.2 Å²	64.2	61%	0.606	34%	0.344	S	S	*	.	H	α-helix	trans	-65.3	-43.6	-178.2	-65.6	-148.8	79.1	0	0	113	L267 A275 V276	L267-M272 WeakPolarHBondContact O-CB 3.4Å; L267-M272 WeakPolarHBondContact O-CG 3.25Å; L267-M272 PolarHBondContact O-N 2.84Å; L267-M272 VanDerWaalsContact O-N 3.08Å; M272-A275 PolarHBondContact O-N 3.47Å; M272-V276 WeakPolarHBondContact O-CG2 3.3Å; M272-V276 PolarHBondContact O-N 2.89Å; M272-V276 VanDerWaalsContact O-N 3.15Å
273	P	89.9	Confident	90.1	Very high	23 Å²	23	62.1 Å²	62.1	15%	0.149	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-41	177.1	-24.6	36.7	0	0	0	113.8	G183 L268 E270 A275 V276 C277	G183-P273 WeakPolarHBondContact O-CB 3.49Å; L268-P273 WeakPolarHBondContact O-CD 3.43Å; L268-P273 WeakPolarHBondContact O-CG 3.44Å; E270-P273 WeakPolarHBondContact O-CD 3.43Å; P273-A275 VanDerWaalsContact C-N 3.34Å; P273-A275 PolarHBondContact O-N 2.74Å; P273-V276 PolarHBondContact O-N 3.25Å; P273-C277 WeakPolarHBondContact O-CB 3.37Å; P273-C277 PolarHBondContact O-N 3.14Å; P273-C277 PolarHBondContact O-SG 3.2Å
274	Q	91.9	Very high	90.1	Very high	68 Å²	68	59.5 Å²	59.5	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-39.1	173.5	-73.3	-179.2	11.6	0	0	112	S186 L190 E270 V276 C277 S278	S186-Q274 PolarHBondContact OG-NE2 2.98Å; L190-Q274 HydrophobicContact CB-CG 4.32Å; L190-Q274 HydrophobicContact CD2-CB 3.83Å; L190-Q274 HydrophobicContact CD2-CG 4.23Å; E270-Q274 VanDerWaalsContact O-CB 3.24Å; E270-Q274 WeakPolarHBondContact O-CB 3.4Å; E270-Q274 WeakPolarHBondContact O-CG 3.39Å; E270-Q274 PolarHBondContact O-N 3.32Å; Q274-V276 VanDerWaalsContact C-N 3.28Å; Q274-V276 PolarHBondContact O-N 2.84Å; Q274-C277 PolarHBondContact O-N 3.49Å; Q274-S278 VanDerWaalsContact O-CB 3.28Å; Q274-S278 WeakPolarHBondContact O-CB 3.44Å; Q274-S278 PolarHBondContact O-N 3.15Å; Q274-S278 PolarHBondContact O-OG 3.45Å
275	A	91.1	Very high	90.1	Very high	54 Å²	54	59 Å²	59	45%	0.446	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-28.3	176.6	0	0	0	0	0	113.5	I271 M272 P273 S278	I271-A275 VanDerWaalsContact O-CB 3.31Å; I271-A275 WeakPolarHBondContact O-CB 3.46Å; I271-A275 PolarHBondContact O-N 3.38Å; M272-A275 PolarHBondContact O-N 3.47Å; P273-A275 VanDerWaalsContact C-N 3.34Å; P273-A275 PolarHBondContact O-N 2.74Å; A275-S278 PolarHBondContact O-OG 2.81Å
276	V	90.4	Very high	90.1	Very high	76 Å²	76	59.2 Å²	59.2	46%	0.461	32%	0.319	S	S	.	.	H	α-helix	trans	-82.8	-44.6	174.5	174.5	0	0	0	0	111.5	M272 P273 Q274 R279 N280 I284	M272-V276 WeakPolarHBondContact O-CG2 3.3Å; M272-V276 PolarHBondContact O-N 2.89Å; M272-V276 VanDerWaalsContact O-N 3.15Å; P273-V276 PolarHBondContact O-N 3.25Å; Q274-V276 VanDerWaalsContact C-N 3.28Å; Q274-V276 PolarHBondContact O-N 2.84Å; V276-R279 PolarHBondContact O-N 3.36Å; V276-N280 PolarHBondContact O-N 3.26Å; V276-I284 HydrophobicContact CG1-CD1 3.9Å
277	C	89.7	Confident	90	Very high	11 Å²	11	64 Å²	64	7%	0.074	34%	0.335	C	S	.	.	H	α-helix	trans	-73.8	-24.8	-177.9	-70.3	0	0	0	0	114.1	G187 P273 Q274 R279 G281	G187-C277 WeakPolarHBondContact O-CB 3.27Å; P273-C277 WeakPolarHBondContact O-CB 3.37Å; P273-C277 PolarHBondContact O-N 3.14Å; P273-C277 PolarHBondContact O-SG 3.2Å; Q274-C277 PolarHBondContact O-N 3.49Å; C277-R279 VanDerWaalsContact C-N 3.3Å; C277-R279 PolarHBondContact O-N 2.95Å; C277-G281 WeakPolarHBondContact O-CA 3.38Å; C277-G281 PolarHBondContact O-N 3.14Å
278	S	86.8	Confident	90	Very high	64 Å²	64	61.1 Å²	61.1	45%	0.448	32%	0.322	S	S	.	.	H	α-helix	trans	-66	-30.4	171.9	52	0	0	0	0	113.3	Q274 A275	Q274-S278 VanDerWaalsContact O-CB 3.28Å; Q274-S278 WeakPolarHBondContact O-CB 3.44Å; Q274-S278 PolarHBondContact O-N 3.15Å; Q274-S278 PolarHBondContact O-OG 3.45Å; A275-S278 PolarHBondContact O-OG 2.81Å
279	R	86.2	Confident	90	Very high	219 Å²	219	56.9 Å²	56.9	83%	0.826	30%	0.3	S	S	*	.	H	α-helix	trans	-86.8	-34.9	177	-68.4	-176.6	172.8	-164.6	-2.9	113.7	V276 C277	V276-R279 PolarHBondContact O-N 3.36Å; C277-R279 VanDerWaalsContact C-N 3.3Å; C277-R279 PolarHBondContact O-N 2.95Å
280	N	87.5	Confident	90.2	Very high	90 Å²	90	66.2 Å²	66.2	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-117.2	20.4	-171.2	-68.7	-44.2	0	0	0	113.4	V276 L282 A283 I284	V276-N280 PolarHBondContact O-N 3.26Å; N280-L282 VanDerWaalsContact C-N 3.33Å; N280-L282 PolarHBondContact O-N 2.9Å; N280-A283 PolarHBondContact O-N 3.2Å; N280-I284 HydrophobicContact CB-CD1 3.67Å; N280-I284 HydrophobicContact CB-CG1 3.99Å; N280-I284 PolarHBondContact O-N 3.21Å
281	G	88	Confident	90.1	Very high	8 Å²	8	65.9 Å²	65.9	8%	0.082	34%	0.335	C	S	.	.	H	α-helix	trans	-52.7	-43.6	-168.5	0	0	0	0	0	114.4	C277 G285	C277-G281 WeakPolarHBondContact O-CA 3.38Å; C277-G281 PolarHBondContact O-N 3.14Å; G281-G285 WeakPolarHBondContact O-CA 3.46Å; G281-G285 PolarHBondContact O-N 3.44Å
282	L	90.6	Very high	90	Very high	23 Å²	23	61.6 Å²	61.6	12%	0.12	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-46.1	177.7	-169.2	79.1	0	0	0	112.5	L195 L200 I203 E211 A215 I218 N280 A286	L195-L282 HydrophobicContact CD1-CB 4.24Å; L195-L282 HydrophobicContact CD1-CD1 4.08Å; L200-L282 HydrophobicContact CD1-CD1 4.37Å; I203-L282 HydrophobicContact CD1-CD1 4.42Å; I203-L282 HydrophobicContact CD1-CD2 4.41Å; I203-L282 HydrophobicContact CG2-CD2 3.98Å; E211-L282 HydrophobicContact CB-CD2 3.78Å; E211-L282 HydrophobicContact CG-CD2 3.94Å; A215-L282 HydrophobicContact CB-CD1 4.2Å; I218-L282 HydrophobicContact CD1-CD1 4.01Å; I218-L282 WeakPolarHBondContact CD1-O 3.26Å; N280-L282 VanDerWaalsContact C-N 3.33Å; N280-L282 PolarHBondContact O-N 2.9Å; L282-A286 VanDerWaalsContact O-CB 3.3Å; L282-A286 WeakPolarHBondContact O-CB 3.3Å; L282-A286 PolarHBondContact O-N 2.79Å
283	A	90.9	Very high	90.1	Very high	34 Å²	34	60.5 Å²	60.5	28%	0.281	31%	0.305	S	S	.	.	H	α-helix	trans	-77.5	-34.5	-176.3	0	0	0	0	0	112.9	Y214 N280 K287	Y214-A283 HydrophobicContact CD2-CB 4.17Å; Y214-A283 HydrophobicContact CE2-CB 3.94Å; N280-A283 PolarHBondContact O-N 3.2Å; A283-K287 WeakPolarHBondContact O-CG 3.2Å
284	I	91.1	Very high	90.2	Very high	42 Å²	42	62.6 Å²	62.6	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-73.2	-53.6	175.6	-65.5	173.6	0	0	0	109.2	L188 V276 N280 A286 K287 T288	L188-I284 HydrophobicContact CD2-CG2 4.18Å; V276-I284 HydrophobicContact CG1-CD1 3.9Å; N280-I284 HydrophobicContact CB-CD1 3.67Å; N280-I284 HydrophobicContact CB-CG1 3.99Å; N280-I284 PolarHBondContact O-N 3.21Å; I284-A286 VanDerWaalsContact C-N 3.27Å; I284-A286 PolarHBondContact O-N 2.88Å; I284-K287 PolarHBondContact O-N 2.69Å; I284-T288 HydrophobicContact CG2-CG2 4.03Å; I284-T288 WeakPolarHBondContact O-CG2 3.32Å; I284-T288 PolarHBondContact O-N 3.22Å; I284-T288 PolarHBondContact O-OG1 3.09Å; I284-T288 VanDerWaalsContact O-OG1 3.1Å
285	G	90.8	Very high	90.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58	-34.4	-177.3	0	0	0	0	0	114.3	G281 L289	G281-G285 WeakPolarHBondContact O-CA 3.46Å; G281-G285 PolarHBondContact O-N 3.44Å; G285-L289 WeakPolarHBondContact O-CA 3.48Å; G285-L289 WeakPolarHBondContact O-CB 3.37Å; G285-L289 PolarHBondContact O-N 3.13Å; G285-L289 VanDerWaalsContact O-N 3.11Å
286	A	91.5	Very high	90.1	Very high	17 Å²	17	60 Å²	60	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-73	-35.7	174.6	0	0	0	0	0	112.9	Y214 I218 L282 I284 L289	Y214-A286 HydrophobicContact CD1-CB 3.53Å; Y214-A286 HydrophobicContact CE1-CB 4.45Å; Y214-A286 HydrophobicContact CG-CB 3.7Å; I218-A286 HydrophobicContact CD1-CB 3.99Å; I218-A286 HydrophobicContact CG1-CB 4.07Å; L282-A286 VanDerWaalsContact O-CB 3.3Å; L282-A286 WeakPolarHBondContact O-CB 3.3Å; L282-A286 PolarHBondContact O-N 2.79Å; I284-A286 VanDerWaalsContact C-N 3.27Å; I284-A286 PolarHBondContact O-N 2.88Å; A286-L289 WeakPolarHBondContact O-CB 3.17Å
287	K	91.2	Very high	90.2	Very high	155 Å²	155	62.4 Å²	62.4	67%	0.674	30%	0.302	S	S	*	.	H	α-helix	trans	-74	-36.8	176.8	-74.4	178.7	178.6	-179.9	0	112.5	A283 I284 L289	A283-K287 WeakPolarHBondContact O-CG 3.2Å; I284-K287 PolarHBondContact O-N 2.69Å; K287-L289 VanDerWaalsContact C-N 3.32Å
288	T	91	Very high	90.3	Very high	29 Å²	29	67.2 Å²	67.2	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-86	-4.6	179.4	62.3	0	0	0	0	113.1	L184 L188 I284 W290 L291 T292	L184-T288 HydrophobicContact CD1-CG2 3.71Å; L188-T288 WeakPolarHBondContact CD1-OG1 3.34Å; L188-T288 WeakPolarHBondContact CD2-OG1 3.42Å; I284-T288 HydrophobicContact CG2-CG2 4.03Å; I284-T288 WeakPolarHBondContact O-CG2 3.32Å; I284-T288 PolarHBondContact O-N 3.22Å; I284-T288 PolarHBondContact O-OG1 3.09Å; I284-T288 VanDerWaalsContact O-OG1 3.1Å; T288-W290 PolarHBondContact O-N 2.83Å; T288-W290 VanDerWaalsContact O-N 3.07Å; T288-L291 WeakPolarHBondContact O-CA 3.24Å; T288-L291 WeakPolarHBondContact O-CB 3.46Å; T288-L291 PolarHBondContact O-N 3.04Å; T288-T292 PolarHBondContact O-N 3.13Å; T288-T292 PolarHBondContact O-OG1 3.31Å
289	L	90.8	Very high	90.5	Very high	14 Å²	14	65.3 Å²	65.3	7%	0.073	31%	0.312	C	S	.	.	H	α-helix	trans	-51.3	-35.8	-173.9	-169.3	73.2	0	0	0	114.4	A217 V221 G285 A286 K287 L291 T292 K293	A217-L289 HydrophobicContact CB-CD2 3.89Å; A217-L289 WeakPolarHBondContact O-CD2 3.34Å; V221-L289 HydrophobicContact CB-CD1 4.28Å; V221-L289 HydrophobicContact CG2-CD1 3.73Å; G285-L289 WeakPolarHBondContact O-CA 3.48Å; G285-L289 WeakPolarHBondContact O-CB 3.37Å; G285-L289 PolarHBondContact O-N 3.13Å; G285-L289 VanDerWaalsContact O-N 3.11Å; A286-L289 WeakPolarHBondContact O-CB 3.17Å; K287-L289 VanDerWaalsContact C-N 3.32Å; L289-L291 VanDerWaalsContact C-N 3.34Å; L289-T292 PolarHBondContact O-N 3.38Å; L289-K293 HydrophobicContact CG-CD 4.37Å; L289-K293 WeakPolarHBondContact O-CB 3.44Å; L289-K293 WeakPolarHBondContact O-CG 3.22Å; L289-K293 PolarHBondContact O-N 3.1Å
290	W	91.1	Very high	90.8	Very high	195 Å²	195	59.3 Å²	59.3	74%	0.739	29%	0.293	S	S	*	.	H	α-helix	trans	-61.2	-43.1	175.2	170.3	78.7	0	0	0	111.8	T288 K293 L294	T288-W290 PolarHBondContact O-N 2.83Å; T288-W290 VanDerWaalsContact O-N 3.07Å; W290-K293 PolarHBondContact O-N 3.34Å; W290-L294 HydrophobicContact CH2-CD2 4.45Å; W290-L294 PolarHBondContact O-N 3.46Å
291	L	90	Very high	91	Very high	45 Å²	45	59.6 Å²	59.6	24%	0.236	30%	0.299	C	S	.	.	H	α-helix	trans	-72.3	-37.7	178.4	-171.8	50.1	0	0	0	111.2	L184 T288 L289 K293 L294 F295	L184-L291 HydrophobicContact CD2-CD2 3.41Å; L184-L291 VanDerWaalsContact CD2-CD2 3.41Å; L184-L291 HydrophobicContact CD2-CG 4.07Å; T288-L291 WeakPolarHBondContact O-CA 3.24Å; T288-L291 WeakPolarHBondContact O-CB 3.46Å; T288-L291 PolarHBondContact O-N 3.04Å; L289-L291 VanDerWaalsContact C-N 3.34Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.49Å; L291-L294 HydrophobicContact CD1-CD2 4.03Å; L291-L294 PolarHBondContact O-N 3.39Å; L291-F295 HydrophobicContact CD1-CD2 3.85Å; L291-F295 HydrophobicContact CD1-CE2 3.43Å; L291-F295 VanDerWaalsContact CD1-CE2 3.43Å; L291-F295 HydrophobicContact CD1-CZ 4.26Å; L291-F295 HydrophobicContact CG-CD2 4.04Å; L291-F295 HydrophobicContact CG-CE2 3.79Å; L291-F295 VanDerWaalsContact O-CD2 3.28Å; L291-F295 WeakPolarHBondContact O-CD2 3.47Å; L291-F295 PolarHBondContact O-N 2.98Å
292	T	90.4	Very high	91.2	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-43	170	-48.5	0	0	0	0	111.8	L192 L228 L232 T288 L289 F295 M296	L192-T292 HydrophobicContact CD1-CG2 4.3Å; L228-T292 HydrophobicContact CD1-CG2 3.51Å; L232-T292 HydrophobicContact CD2-CG2 4.42Å; T288-T292 PolarHBondContact O-N 3.13Å; T288-T292 PolarHBondContact O-OG1 3.31Å; L289-T292 PolarHBondContact O-N 3.38Å; T292-F295 PolarHBondContact O-N 2.98Å; T292-M296 WeakPolarHBondContact O-CB 3.32Å; T292-M296 PolarHBondContact O-N 2.83Å
293	K	91.4	Very high	91.3	Very high	101 Å²	101	63 Å²	63	44%	0.439	32%	0.315	S	S	.	.	H	α-helix	trans	-68.7	-36.7	176.5	-75.3	175	179.3	178	0	112.5	V221 L289 W290 L291 M296 L297	V221-K293 HydrophobicContact CG2-CD 4.48Å; V221-K293 HydrophobicContact CG2-CG 4.27Å; L289-K293 HydrophobicContact CG-CD 4.37Å; L289-K293 WeakPolarHBondContact O-CB 3.44Å; L289-K293 WeakPolarHBondContact O-CG 3.22Å; L289-K293 PolarHBondContact O-N 3.1Å; W290-K293 PolarHBondContact O-N 3.34Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.49Å; K293-M296 PolarHBondContact O-N 3.18Å; K293-L297 WeakPolarHBondContact O-CB 3.28Å; K293-L297 PolarHBondContact O-N 3.13Å
294	L	91.6	Very high	91.4	Very high	67 Å²	67	66.2 Å²	66.2	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-47.6	173.2	178.6	62.2	0	0	0	111.1	W290 L291 L297 L298	W290-L294 HydrophobicContact CH2-CD2 4.45Å; W290-L294 PolarHBondContact O-N 3.46Å; L291-L294 HydrophobicContact CD1-CD2 4.03Å; L291-L294 PolarHBondContact O-N 3.39Å; L294-L297 WeakPolarHBondContact O-CB 3.19Å; L294-L297 PolarHBondContact O-N 2.83Å; L294-L298 HydrophobicContact CD1-CD1 4.39Å; L294-L298 HydrophobicContact CG-CD1 4.19Å; L294-L298 WeakPolarHBondContact O-CG 3.29Å; L294-L298 PolarHBondContact O-N 3.33Å
295	F	89.9	Confident	91.4	Very high	42 Å²	42	67.4 Å²	67.4	18%	0.184	33%	0.333	C	S	.	.	H	α-helix	trans	-67.4	-39.6	176.7	-75.6	-62.5	0	0	0	112.8	L181 F185 T231 L291 T292 L297 L298 T299	L181-F295 HydrophobicContact CD2-CE2 4.06Å; L181-F295 HydrophobicContact CD2-CZ 4.05Å; F185-F295 HydrophobicContact CE1-CB 4.08Å; F185-F295 HydrophobicContact CE1-CD1 4.32Å; F185-F295 AromaticContact CE1-CD2 3.49Å; F185-F295 HydrophobicContact CE1-CD2 3.49Å; F185-F295 VanDerWaalsContact CE1-CD2 3.49Å; F185-F295 AromaticContact CE1-CE2 3.93Å; F185-F295 HydrophobicContact CE1-CE2 3.93Å; F185-F295 AromaticContact CE1-CG 3.7Å; F185-F295 HydrophobicContact CE1-CG 3.7Å; F185-F295 HydrophobicContact CE2-CE2 4.35Å; F185-F295 HydrophobicContact CE2-CZ 4.32Å; F185-F295 HydrophobicContact CZ-CB 4.33Å; F185-F295 AromaticContact CZ-CD1 3.72Å; F185-F295 HydrophobicContact CZ-CD1 3.72Å; F185-F295 AromaticContact CZ-CD2 3.42Å; F185-F295 HydrophobicContact CZ-CD2 3.42Å; F185-F295 VanDerWaalsContact CZ-CD2 3.42Å; F185-F295 AromaticContact CZ-CE1 3.78Å; F185-F295 HydrophobicContact CZ-CE1 3.78Å; F185-F295 AromaticContact CZ-CE2 3.45Å; F185-F295 HydrophobicContact CZ-CE2 3.45Å; F185-F295 VanDerWaalsContact CZ-CE2 3.45Å; F185-F295 AromaticContact CZ-CG 3.55Å; F185-F295 HydrophobicContact CZ-CG 3.55Å; F185-F295 AromaticContact CZ-CZ 3.65Å; F185-F295 HydrophobicContact CZ-CZ 3.65Å; T231-F295 HydrophobicContact CG2-CB 4.24Å; L291-F295 HydrophobicContact CD1-CD2 3.85Å; L291-F295 HydrophobicContact CD1-CE2 3.43Å; L291-F295 VanDerWaalsContact CD1-CE2 3.43Å; L291-F295 HydrophobicContact CD1-CZ 4.26Å; L291-F295 HydrophobicContact CG-CD2 4.04Å; L291-F295 HydrophobicContact CG-CE2 3.79Å; L291-F295 VanDerWaalsContact O-CD2 3.28Å; L291-F295 WeakPolarHBondContact O-CD2 3.47Å; L291-F295 PolarHBondContact O-N 2.98Å; T292-F295 PolarHBondContact O-N 2.98Å; F295-L297 PolarHBondContact O-N 3.32Å; F295-L298 HydrophobicContact CD1-CD1 4.09Å; F295-L298 HydrophobicContact CE1-CD1 4.31Å; F295-L298 PolarHBondContact O-N 2.8Å; F295-L298 VanDerWaalsContact O-N 3.08Å; F295-T299 PolarHBondContact O-N 2.95Å; F295-T299 PolarHBondContact O-OG1 3.4Å
296	M	90.9	Very high	91.4	Very high	26 Å²	26	70.7 Å²	70.7	13%	0.128	35%	0.35	C	S	.	.	H	α-helix	trans	-59.1	-32.3	173.8	-175.8	175.9	-76.7	0	0	112.6	V221 L227 L228 T231 T292 K293 F300	V221-M296 HydrophobicContact CG1-CE 3.69Å; V221-M296 HydrophobicContact CG1-SD 4.43Å; L227-M296 HydrophobicContact CD2-CE 4.46Å; L227-M296 HydrophobicContact CD2-CG 4.24Å; L227-M296 HydrophobicContact CD2-SD 3.96Å; L227-M296 HydrophobicContact CG-CE 4.23Å; L227-M296 HydrophobicContact CG-CG 4.3Å; L227-M296 HydrophobicContact CG-SD 4.28Å; L228-M296 HydrophobicContact CB-CE 3.85Å; L228-M296 HydrophobicContact CD1-CE 3.9Å; L228-M296 HydrophobicContact CG-CE 4.49Å; T231-M296 HydrophobicContact CG2-CB 4Å; T292-M296 WeakPolarHBondContact O-CB 3.32Å; T292-M296 PolarHBondContact O-N 2.83Å; K293-M296 PolarHBondContact O-N 3.18Å; M296-F300 WeakPolarHBondContact O-CA 3.41Å; M296-F300 WeakPolarHBondContact O-CB 3.31Å; M296-F300 PolarHBondContact O-N 3.19Å
297	L	92.6	Very high	91.3	Very high	126 Å²	126	70 Å²	70	66%	0.66	34%	0.344	S	S	*	.	H	α-helix	trans	-73.2	-42.9	172.8	-179.7	64.3	0	0	0	112.2	K293 L294 F295 F300	K293-L297 WeakPolarHBondContact O-CB 3.28Å; K293-L297 PolarHBondContact O-N 3.13Å; L294-L297 WeakPolarHBondContact O-CB 3.19Å; L294-L297 PolarHBondContact O-N 2.83Å; F295-L297 PolarHBondContact O-N 3.32Å; L297-F300 VanDerWaalsContact O-CB 3.27Å; L297-F300 WeakPolarHBondContact O-CB 3.48Å; L297-F300 PolarHBondContact O-N 2.9Å
298	L	92.1	Very high	91.2	Very high	111 Å²	111	68.6 Å²	68.6	58%	0.581	34%	0.338	S	S	*	.	H	α-helix	trans	-68.5	-42.1	179.8	-70.1	170.3	0	0	0	112.7	L294 F295 F300	L294-L298 HydrophobicContact CD1-CD1 4.39Å; L294-L298 HydrophobicContact CG-CD1 4.19Å; L294-L298 WeakPolarHBondContact O-CG 3.29Å; L294-L298 PolarHBondContact O-N 3.33Å; F295-L298 HydrophobicContact CD1-CD1 4.09Å; F295-L298 HydrophobicContact CE1-CD1 4.31Å; F295-L298 PolarHBondContact O-N 2.8Å; F295-L298 VanDerWaalsContact O-N 3.08Å; L298-F300 VanDerWaalsContact C-N 3.32Å
299	T	90.5	Very high	91.2	Very high	25 Å²	25	71.9 Å²	71.9	15%	0.153	35%	0.354	C	S	.	.	S	Bend	trans	-82.1	-10	177.4	60.6	0	0	0	0	112.9	T231 F295 P301 I302 A303	T231-T299 PolarHBondContact OG1-OG1 2.93Å; F295-T299 PolarHBondContact O-N 2.95Å; F295-T299 PolarHBondContact O-OG1 3.4Å; T299-P301 VanDerWaalsContact C-CD 3.46Å; T299-I302 PolarHBondContact O-N 2.75Å; T299-A303 WeakPolarHBondContact O-CB 3.48Å; T299-A303 PolarHBondContact O-N 3.11Å
300	F	92.7	Very high	91	Very high	93 Å²	93	73.5 Å²	73.5	41%	0.408	36%	0.363	S	S	.	.	H	α-helix	trans	-41.8	-51.5	-175.4	-170.6	-104.6	0	0	0	115.4	M296 L297 L298 I302 A303 F304	M296-F300 WeakPolarHBondContact O-CA 3.41Å; M296-F300 WeakPolarHBondContact O-CB 3.31Å; M296-F300 PolarHBondContact O-N 3.19Å; L297-F300 VanDerWaalsContact O-CB 3.27Å; L297-F300 WeakPolarHBondContact O-CB 3.48Å; L297-F300 PolarHBondContact O-N 2.9Å; L298-F300 VanDerWaalsContact C-N 3.32Å; F300-I302 PolarHBondContact O-N 3.2Å; F300-I302 VanDerWaalsContact O-N 3.11Å; F300-A303 PolarHBondContact O-N 3.1Å; F300-F304 HydrophobicContact CD2-CB 4.13Å; F300-F304 HydrophobicContact CE1-CB 4.39Å; F300-F304 HydrophobicContact CE1-CG 4.44Å; F300-F304 HydrophobicContact CE2-CB 3.85Å; F300-F304 AromaticContact CE2-CD2 3.81Å; F300-F304 HydrophobicContact CE2-CD2 3.81Å; F300-F304 AromaticContact CE2-CG 3.97Å; F300-F304 HydrophobicContact CE2-CG 3.97Å; F300-F304 HydrophobicContact CZ-CB 3.99Å; F300-F304 HydrophobicContact CZ-CD1 4.4Å; F300-F304 AromaticContact CZ-CD2 3.86Å; F300-F304 HydrophobicContact CZ-CD2 3.86Å; F300-F304 HydrophobicContact CZ-CE2 4.48Å; F300-F304 AromaticContact CZ-CG 3.81Å; F300-F304 HydrophobicContact CZ-CG 3.81Å; F300-F304 WeakPolarHBondContact O-CB 3.32Å; F300-F304 PolarHBondContact O-N 3.04Å
301	P	92.8	Very high	90.8	Very high	96 Å²	96	67.1 Å²	67.1	62%	0.623	34%	0.343	S	S	*	.	H	α-helix	trans	-63.7	-19.2	-177.2	25.4	-36	0	0	0	114.6	T299 P305	T299-P301 VanDerWaalsContact C-CD 3.46Å; P301-P305 WeakPolarHBondContact O-CD 3.01Å; P301-P305 WeakPolarHBondContact O-CG 3.47Å
302	I	92	Very high	90.6	Very high	103 Å²	103	72.9 Å²	72.9	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-103	-43.9	177.4	-57.6	175.4	0	0	0	110.4	L234 T299 F300 P305 I306	L234-I302 HydrophobicContact CD1-CB 4.45Å; L234-I302 HydrophobicContact CD1-CG2 3.94Å; T299-I302 PolarHBondContact O-N 2.75Å; F300-I302 PolarHBondContact O-N 3.2Å; F300-I302 VanDerWaalsContact O-N 3.11Å; I302-P305 WeakPolarHBondContact O-CD 3.48Å; I302-P305 WeakPolarHBondContact O-CG 3.31Å; I302-I306 HydrophobicContact CG2-CD1 3.93Å; I302-I306 WeakPolarHBondContact O-CD1 3.19Å; I302-I306 VanDerWaalsContact O-CG1 3.26Å; I302-I306 WeakPolarHBondContact O-CG1 3.5Å
303	A	91.7	Very high	90.5	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-69.3	-36	-177.4	0	0	0	0	0	113	L227 C230 L234 T299 F300 I306 S307	L227-A303 HydrophobicContact CD1-CB 3.92Å; C230-A303 HydrophobicContact CB-CB 4.07Å; L234-A303 HydrophobicContact CD1-CB 4.17Å; T299-A303 WeakPolarHBondContact O-CB 3.48Å; T299-A303 PolarHBondContact O-N 3.11Å; F300-A303 PolarHBondContact O-N 3.1Å; A303-I306 PolarHBondContact O-N 3.42Å; A303-S307 WeakPolarHBondContact O-CB 3.44Å; A303-S307 PolarHBondContact O-N 3.37Å; A303-S307 PolarHBondContact O-OG 2.83Å
304	F	92.3	Very high	89.9	Confident	100 Å²	100	80.1 Å²	80.1	44%	0.439	41%	0.408	S	S	.	.	H	α-helix	trans	-65.6	-50.5	-179.2	179.9	-101.4	0	0	0	114.7	L227 F300 I306 S307 F308	L227-F304 HydrophobicContact CD1-CB 4.42Å; F300-F304 HydrophobicContact CD2-CB 4.13Å; F300-F304 HydrophobicContact CE1-CB 4.39Å; F300-F304 HydrophobicContact CE1-CG 4.44Å; F300-F304 HydrophobicContact CE2-CB 3.85Å; F300-F304 AromaticContact CE2-CD2 3.81Å; F300-F304 HydrophobicContact CE2-CD2 3.81Å; F300-F304 AromaticContact CE2-CG 3.97Å; F300-F304 HydrophobicContact CE2-CG 3.97Å; F300-F304 HydrophobicContact CZ-CB 3.99Å; F300-F304 HydrophobicContact CZ-CD1 4.4Å; F300-F304 AromaticContact CZ-CD2 3.86Å; F300-F304 HydrophobicContact CZ-CD2 3.86Å; F300-F304 HydrophobicContact CZ-CE2 4.48Å; F300-F304 AromaticContact CZ-CG 3.81Å; F300-F304 HydrophobicContact CZ-CG 3.81Å; F300-F304 WeakPolarHBondContact O-CB 3.32Å; F300-F304 PolarHBondContact O-N 3.04Å; F304-I306 VanDerWaalsContact C-N 3.25Å; F304-I306 PolarHBondContact O-N 2.83Å; F304-S307 PolarHBondContact O-N 3.06Å; F304-S307 PolarHBondContact O-OG 3.43Å; F304-F308 VanDerWaalsContact O-CB 3.31Å; F304-F308 WeakPolarHBondContact O-CB 3.47Å; F304-F308 PolarHBondContact O-N 2.89Å
305	P	92.3	Very high	89	Confident	68 Å²	68	78.5 Å²	78.5	44%	0.442	41%	0.407	S	S	.	.	H	α-helix	trans	-65.2	-30.5	176.9	25.1	-34.4	0	0	0	112.5	P301 I302 L309	P301-P305 WeakPolarHBondContact O-CD 3.01Å; P301-P305 WeakPolarHBondContact O-CG 3.47Å; I302-P305 WeakPolarHBondContact O-CD 3.48Å; I302-P305 WeakPolarHBondContact O-CG 3.31Å; P305-L309 WeakPolarHBondContact O-CB 3.35Å; P305-L309 PolarHBondContact O-N 3.2Å
306	I	90.5	Very high	87.9	Confident	68 Å²	68	82.9 Å²	82.9	35%	0.349	43%	0.428	S	S	.	.	H	α-helix	trans	-70.2	-48.9	174.3	-62.3	171.8	0	0	0	110.3	I302 A303 F304 F308 L309 L310	I302-I306 HydrophobicContact CG2-CD1 3.93Å; I302-I306 WeakPolarHBondContact O-CD1 3.19Å; I302-I306 VanDerWaalsContact O-CG1 3.26Å; I302-I306 WeakPolarHBondContact O-CG1 3.5Å; A303-I306 PolarHBondContact O-N 3.42Å; F304-I306 VanDerWaalsContact C-N 3.25Å; F304-I306 PolarHBondContact O-N 2.83Å; I306-F308 PolarHBondContact O-N 3Å; I306-L309 WeakPolarHBondContact O-CB 3.46Å; I306-L309 PolarHBondContact O-N 2.83Å; I306-L309 VanDerWaalsContact O-N 3.12Å; I306-L310 HydrophobicContact CG2-CD1 3.96Å; I306-L310 VanDerWaalsContact O-CD1 3.25Å; I306-L310 WeakPolarHBondContact O-CD1 3.48Å; I306-L310 PolarHBondContact O-N 3.33Å
307	S	89.7	Confident	86.5	Confident	3 Å²	3	84.4 Å²	84.4	2%	0.021	44%	0.435	C	S	.	.	H	α-helix	trans	-62.8	-42.8	179.9	73.7	0	0	0	0	111.7	A303 F304 L309 L310 D311	A303-S307 WeakPolarHBondContact O-CB 3.44Å; A303-S307 PolarHBondContact O-N 3.37Å; A303-S307 PolarHBondContact O-OG 2.83Å; F304-S307 PolarHBondContact O-N 3.06Å; F304-S307 PolarHBondContact O-OG 3.43Å; S307-L309 PolarHBondContact O-N 3.24Å; S307-L310 CarbonylContact O-C 3.58Å; S307-L310 WeakPolarHBondContact O-CA 3.36Å; S307-L310 WeakPolarHBondContact O-CB 3.35Å; S307-L310 PolarHBondContact O-N 3.25Å; S307-D311 WeakPolarHBondContact O-CB 3.43Å; S307-D311 PolarHBondContact O-N 3.02Å; S307-D311 VanDerWaalsContact O-OD2 3.05Å
308	F	88.6	Confident	84.6	Confident	125 Å²	125	85.6 Å²	85.6	55%	0.548	44%	0.44	S	S	.	.	H	α-helix	trans	-61	-32.4	175.3	-179.9	-101.5	0	0	0	112.9	F304 I306 K312	F304-F308 VanDerWaalsContact O-CB 3.31Å; F304-F308 WeakPolarHBondContact O-CB 3.47Å; F304-F308 PolarHBondContact O-N 2.89Å; I306-F308 PolarHBondContact O-N 3Å; F308-K312 WeakPolarHBondContact O-CB 3.49Å; F308-K312 PolarHBondContact O-N 2.76Å; F308-K312 VanDerWaalsContact O-N 3.17Å
309	L	90.4	Very high	83	Confident	98 Å²	98	81 Å²	81	51%	0.513	42%	0.42	S	S	.	.	H	α-helix	trans	-71.2	-39.5	173.1	-173.9	63	0	0	0	111.7	P305 I306 S307 K312 I313	P305-L309 WeakPolarHBondContact O-CB 3.35Å; P305-L309 PolarHBondContact O-N 3.2Å; I306-L309 WeakPolarHBondContact O-CB 3.46Å; I306-L309 PolarHBondContact O-N 2.83Å; I306-L309 VanDerWaalsContact O-N 3.12Å; S307-L309 PolarHBondContact O-N 3.24Å; L309-K312 PolarHBondContact O-N 3.15Å; L309-I313 HydrophobicContact CD1-CD1 3.76Å; L309-I313 HydrophobicContact CD1-CG1 4.39Å; L309-I313 HydrophobicContact CG-CD1 3.87Å; L309-I313 VanDerWaalsContact O-CG1 3.27Å; L309-I313 WeakPolarHBondContact O-CG1 3.31Å; L309-I313 PolarHBondContact O-N 3.17Å
310	L	87.7	Confident	81.6	Confident	49 Å²	49	85.9 Å²	85.9	26%	0.257	44%	0.441	S	S	.	.	H	α-helix	trans	-62.9	-51.4	171.9	-90.2	71.8	0	0	0	111.2	N226 I306 S307 K312 I313 L314	N226-L310 HydrophobicContact CB-CB 4.43Å; I306-L310 HydrophobicContact CG2-CD1 3.96Å; I306-L310 VanDerWaalsContact O-CD1 3.25Å; I306-L310 WeakPolarHBondContact O-CD1 3.48Å; I306-L310 PolarHBondContact O-N 3.33Å; S307-L310 CarbonylContact O-C 3.58Å; S307-L310 WeakPolarHBondContact O-CA 3.36Å; S307-L310 WeakPolarHBondContact O-CB 3.35Å; S307-L310 PolarHBondContact O-N 3.25Å; L310-K312 PolarHBondContact O-N 3.13Å; L310-K312 VanDerWaalsContact O-N 3.11Å; L310-I313 PolarHBondContact O-N 3.32Å; L310-L314 PolarHBondContact O-N 2.71Å
311	D	86.8	Confident	80	Confident	60 Å²	60	86.7 Å²	86.7	32%	0.321	45%	0.453	S	S	.	.	H	α-helix	trans	-53.5	-33.8	178.5	-64	-37.9	0	0	0	111.6	N226 S307 G315	N226-D311 WeakPolarHBondContact CB-OD1 3.45Å; N226-D311 PolarHBondContact ND2-OD1 3.48Å; S307-D311 WeakPolarHBondContact O-CB 3.43Å; S307-D311 PolarHBondContact O-N 3.02Å; S307-D311 VanDerWaalsContact O-OD2 3.05Å; D311-G315 CarbonylContact O-C 3.55Å; D311-G315 VanDerWaalsContact O-C 3.32Å; D311-G315 WeakPolarHBondContact O-CA 3.38Å; D311-G315 PolarHBondContact O-N 2.91Å
312	K	86.4	Confident	78.7	Confident	166 Å²	166	86.6 Å²	86.6	72%	0.722	44%	0.441	S	S	*	.	H	α-helix	trans	-81.2	-28.2	178.5	-173.3	175.5	178.5	-176.1	0	114.6	F308 L309 L310	F308-K312 WeakPolarHBondContact O-CB 3.49Å; F308-K312 PolarHBondContact O-N 2.76Å; F308-K312 VanDerWaalsContact O-N 3.17Å; L309-K312 PolarHBondContact O-N 3.15Å; L310-K312 PolarHBondContact O-N 3.13Å; L310-K312 VanDerWaalsContact O-N 3.11Å
313	I	87.3	Confident	77.5	Confident	121 Å²	121	83.8 Å²	83.8	62%	0.621	43%	0.431	S	S	*	.	H	α-helix	trans	-97.2	-39.7	-175.4	-61.7	171	0	0	0	111.7	L309 L310	L309-I313 HydrophobicContact CD1-CD1 3.76Å; L309-I313 HydrophobicContact CD1-CG1 4.39Å; L309-I313 HydrophobicContact CG-CD1 3.87Å; L309-I313 VanDerWaalsContact O-CG1 3.27Å; L309-I313 WeakPolarHBondContact O-CG1 3.31Å; L309-I313 PolarHBondContact O-N 3.17Å; L310-I313 PolarHBondContact O-N 3.32Å
314	L	79.9	Confident	76.4	Confident	136 Å²	136	91.3 Å²	91.3	71%	0.712	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-19.9	179.3	-85.2	60.3	0	0	0	112.7	L310	L310-L314 PolarHBondContact O-N 2.71Å
315	G	71	Confident	75.5	Confident	33 Å²	33	92.4 Å²	92.4	34%	0.34	47%	0.465	S	S	.	.			trans	88.6	172.5	-164.8	0	0	0	0	0	112.3	D311	D311-G315 CarbonylContact O-C 3.55Å; D311-G315 VanDerWaalsContact O-C 3.32Å; D311-G315 WeakPolarHBondContact O-CA 3.38Å; D311-G315 PolarHBondContact O-N 2.91Å
316	E	66.7	Low	74.7	Confident	133 Å²	133	95.3 Å²	95.3	62%	0.621	47%	0.471	S	S	*	.	S	Bend	trans	-66.5	146.4	168.1	-162.5	-166	139.8	0	0	109.7	K197 I318	K197-E316 IonicContact NZ-OE1 3.75Å; K197-E316 PolarHBondContact NZ-OE1 3.09Å; E316-I318 PolarHBondContact O-N 2.97Å
317	E	61.5	Low	73.9	Confident	58 Å²	58	95.5 Å²	95.5	27%	0.271	47%	0.472	S	S	.	.			trans	-60.2	94.4	169.4	-70.4	-172.5	147.7	0	0	111	K197 R222 G225 G319	K197-E317 WeakPolarHBondContact CE-O 3.49Å; K197-E317 PolarHBondContact NZ-O 3.01Å; R222-E317 IonicContact CZ-OE2 3.82Å; R222-E317 IonicContact NH1-OE1 2.76Å; R222-E317 IonicContact NH1-OE2 3.45Å; R222-E317 PolarHBondContact NH1-OE2 3Å; R222-E317 IonicContact NH2-OE2 3.81Å; G225-E317 WeakPolarHBondContact CA-OE2 3.46Å; E317-G319 PolarHBondContact O-N 2.82Å
318	I	54.6	Low	73.1	Confident	151 Å²	151	95.8 Å²	95.8	77%	0.774	48%	0.476	S	S	*	.			trans	-69.3	112.9	167.6	-53.1	178.7	0	0	0	107	E316 V321	E316-I318 PolarHBondContact O-N 2.97Å; I318-V321 HydrophobicContact CG2-CG2 4.31Å
319	G	57.3	Low	72.6	Confident	15 Å²	15	93.4 Å²	93.4	16%	0.155	47%	0.471	C	S	.	.			trans	-60.3	166.5	176.6	0	0	0	0	0	112.2	D196 E317 V321	D196-G319 VanDerWaalsContact OD1-CA 3.23Å; D196-G319 WeakPolarHBondContact OD1-CA 3.48Å; E317-G319 PolarHBondContact O-N 2.82Å; G319-V321 PolarHBondContact O-N 3.14Å
320	Q	61	Low	72	Confident	128 Å²	128	91.9 Å²	91.9	60%	0.598	46%	0.463	S	S	*	.			trans	-65.9	105.8	-173.2	-63	-164.1	27.1	0	0	110.8	D196 T198 Y322	D196-Q320 PolarHBondContact OD2-N 2.79Å; T198-Q320 PolarHBondContact OG1-O 3.04Å; T198-Q320 VanDerWaalsContact OG1-O 3.08Å; Q320-Y322 PolarHBondContact O-N 3.4Å
321	V	59.6	Low	71.6	Confident	109 Å²	109	90.9 Å²	90.9	66%	0.661	46%	0.458	S	S	*	.			trans	-80.8	108.2	170	-177.2	0	0	0	0	108	I318 G319 S323	I318-V321 HydrophobicContact CG2-CG2 4.31Å; G319-V321 PolarHBondContact O-N 3.14Å; V321-S323 PolarHBondContact O-N 3.37Å
322	Y	64.4	Low	71.1	Confident	95 Å²	95	93.6 Å²	93.6	37%	0.373	46%	0.464	S	S	.	.			trans	-68.9	113.9	168	-62.4	-85.9	0	0	0	108.8	T198 Q320 L330	T198-Y322 HydrophobicContact CG2-CD2 4.11Å; T198-Y322 HydrophobicContact CG2-CE2 3.87Å; Q320-Y322 PolarHBondContact O-N 3.4Å; Y322-L330 HydrophobicContact CD1-CD1 4.43Å; Y322-L330 HydrophobicContact CE1-CD1 3.89Å
323	S	67	Low	70.7	Confident	44 Å²	44	91.4 Å²	91.4	31%	0.308	46%	0.456	S	S	.	.			trans	-70.7	165.7	167.6	74.1	0	0	0	0	110.1	V321 E325 K326 L327	V321-S323 PolarHBondContact O-N 3.37Å; S323-E325 WeakPolarHBondContact CB-OE2 3.44Å; S323-E325 PolarHBondContact O-N 3.21Å; S323-E325 PolarHBondContact OG-OE2 2.98Å; S323-K326 PolarHBondContact O-N 2.85Å; S323-K326 WeakPolarHBondContact OG-CG 3.45Å; S323-K326 PolarHBondContact OG-N 2.95Å; S323-L327 WeakPolarHBondContact O-CB 3.15Å; S323-L327 PolarHBondContact O-N 2.75Å
324	R	70	Confident	70.2	Confident	157 Å²	157	89.8 Å²	89.8	59%	0.592	45%	0.446	S	S	*	.	H	α-helix	trans	-61.1	-34.2	-176.3	-66	179.1	-178	156.7	3.3	111.9	L327 G328	R324-L327 PolarHBondContact O-N 3.32Å; R324-G328 PolarHBondContact O-N 3Å
325	E	73.7	Confident	69.9	Low	123 Å²	123	84.5 Å²	84.5	58%	0.575	42%	0.422	S	S	*	.	H	α-helix	trans	-71.6	-44.9	179.9	-43.7	68.5	-138.1	0	0	110	S323 L327 G328 V329	S323-E325 WeakPolarHBondContact CB-OE2 3.44Å; S323-E325 PolarHBondContact O-N 3.21Å; S323-E325 PolarHBondContact OG-OE2 2.98Å; E325-L327 VanDerWaalsContact C-N 3.33Å; E325-L327 PolarHBondContact O-N 3.01Å; E325-G328 PolarHBondContact O-N 3.35Å; E325-V329 WeakPolarHBondContact O-CG2 3.34Å; E325-V329 PolarHBondContact O-N 3.18Å
326	K	75	Confident	70	Confident	130 Å²	130	89.7 Å²	89.7	57%	0.565	44%	0.441	S	S	*	.	H	α-helix	trans	-61.9	-39.7	173.1	-72.7	-178.8	178.8	-178.8	0	112.1	S323 L330	S323-K326 PolarHBondContact O-N 2.85Å; S323-K326 WeakPolarHBondContact OG-CG 3.45Å; S323-K326 PolarHBondContact OG-N 2.95Å; K326-L330 WeakPolarHBondContact O-CB 3.48Å; K326-L330 PolarHBondContact O-N 3.09Å
327	L	74.3	Confident	70.3	Confident	71 Å²	71	86.9 Å²	86.9	37%	0.372	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-46	176.3	-177.2	61	0	0	0	110.9	S323 R324 E325 V329 L330 I331	S323-L327 WeakPolarHBondContact O-CB 3.15Å; S323-L327 PolarHBondContact O-N 2.75Å; R324-L327 PolarHBondContact O-N 3.32Å; E325-L327 VanDerWaalsContact C-N 3.33Å; E325-L327 PolarHBondContact O-N 3.01Å; L327-V329 VanDerWaalsContact C-N 3.33Å; L327-V329 PolarHBondContact O-N 3.42Å; L327-L330 PolarHBondContact O-N 2.96Å; L327-L330 VanDerWaalsContact O-N 3.17Å; L327-I331 HydrophobicContact CD1-CD1 4.04Å; L327-I331 HydrophobicContact CD1-CG1 4.2Å; L327-I331 HydrophobicContact CG-CD1 3.96Å; L327-I331 VanDerWaalsContact O-CG1 3.3Å; L327-I331 WeakPolarHBondContact O-CG1 3.46Å; L327-I331 PolarHBondContact O-N 2.8Å
328	G	72.8	Confident	70.8	Confident	9 Å²	9	87.2 Å²	87.2	9%	0.093	46%	0.46	C	S	.	.	H	α-helix	trans	-58.8	-40.5	175.3	0	0	0	0	0	113.1	R324 E325 R332	R324-G328 PolarHBondContact O-N 3Å; E325-G328 PolarHBondContact O-N 3.35Å; G328-R332 WeakPolarHBondContact O-CG 3.4Å; G328-R332 PolarHBondContact O-N 2.92Å; G328-R332 VanDerWaalsContact O-N 3.15Å
329	V	77.7	Confident	71.6	Confident	75 Å²	75	85 Å²	85	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-65.4	-46.2	172.6	172.4	0	0	0	0	111.4	E325 L327 I331 R332 E333	E325-V329 WeakPolarHBondContact O-CG2 3.34Å; E325-V329 PolarHBondContact O-N 3.18Å; L327-V329 VanDerWaalsContact C-N 3.33Å; L327-V329 PolarHBondContact O-N 3.42Å; V329-I331 VanDerWaalsContact C-N 3.33Å; V329-I331 PolarHBondContact O-N 2.99Å; V329-R332 WeakPolarHBondContact O-CB 3.23Å; V329-R332 PolarHBondContact O-N 2.87Å; V329-R332 VanDerWaalsContact O-N 3.08Å; V329-E333 PolarHBondContact O-N 3.49Å
330	L	78	Confident	72.3	Confident	66 Å²	66	85.9 Å²	85.9	35%	0.346	46%	0.456	S	S	.	.	H	α-helix	trans	-61.3	-38.1	-179.2	-178.1	144	0	0	0	112.9	Y322 K326 L327 Q334	Y322-L330 HydrophobicContact CD1-CD1 4.43Å; Y322-L330 HydrophobicContact CE1-CD1 3.89Å; K326-L330 WeakPolarHBondContact O-CB 3.48Å; K326-L330 PolarHBondContact O-N 3.09Å; L327-L330 PolarHBondContact O-N 2.96Å; L327-L330 VanDerWaalsContact O-N 3.17Å; L330-Q334 WeakPolarHBondContact O-CG 3.3Å; L330-Q334 PolarHBondContact O-N 2.73Å
331	I	77.8	Confident	73.1	Confident	28 Å²	28	82 Å²	82	14%	0.144	45%	0.446	C	S	.	.	H	α-helix	trans	-73.1	-33.2	176.2	-51.6	165.5	0	0	0	110.2	L327 V329 Q334 A335 M345 I348	L327-I331 HydrophobicContact CD1-CD1 4.04Å; L327-I331 HydrophobicContact CD1-CG1 4.2Å; L327-I331 HydrophobicContact CG-CD1 3.96Å; L327-I331 VanDerWaalsContact O-CG1 3.3Å; L327-I331 WeakPolarHBondContact O-CG1 3.46Å; L327-I331 PolarHBondContact O-N 2.8Å; V329-I331 VanDerWaalsContact C-N 3.33Å; V329-I331 PolarHBondContact O-N 2.99Å; I331-Q334 WeakPolarHBondContact O-CB 3.41Å; I331-Q334 PolarHBondContact O-N 3.23Å; I331-Q334 VanDerWaalsContact O-N 3.16Å; I331-A335 PolarHBondContact O-N 2.93Å; I331-M345 HydrophobicContact CB-CE 3.88Å; I331-M345 HydrophobicContact CG2-CE 3.42Å; I331-M345 VanDerWaalsContact CG2-CE 3.42Å; I331-M345 WeakPolarHBondContact O-CE 3.38Å; I331-I348 HydrophobicContact CD1-CG2 4.05Å
332	R	76.8	Confident	74	Confident	118 Å²	118	81.5 Å²	81.5	45%	0.445	44%	0.443	S	S	.	.	H	α-helix	trans	-62.5	-43.6	173	-77.8	176.7	-167.3	142.8	4.3	112.7	G328 V329 Q334 A335 L336 M345	G328-R332 WeakPolarHBondContact O-CG 3.4Å; G328-R332 PolarHBondContact O-N 2.92Å; G328-R332 VanDerWaalsContact O-N 3.15Å; V329-R332 WeakPolarHBondContact O-CB 3.23Å; V329-R332 PolarHBondContact O-N 2.87Å; V329-R332 VanDerWaalsContact O-N 3.08Å; R332-Q334 PolarHBondContact O-N 2.88Å; R332-A335 PolarHBondContact O-N 2.72Å; R332-A335 VanDerWaalsContact O-N 3.16Å; R332-L336 WeakPolarHBondContact O-CG 3.33Å; R332-L336 PolarHBondContact O-N 3Å; R332-M345 HydrophobicContact CB-CE 4.48Å; R332-M345 HydrophobicContact CB-SD 4.45Å; R332-M345 HydrophobicContact CG-CE 4.02Å; R332-M345 HydrophobicContact CG-SD 3.44Å; R332-M345 WeakPolarHBondContact CG-SD 3.38Å
333	E	78.6	Confident	74.8	Confident	120 Å²	120	82.2 Å²	82.2	56%	0.561	45%	0.453	S	S	*	.	H	α-helix	trans	-59.9	-33.9	173.3	-65.6	-62.5	145.7	0	0	111.7	V329 L336 A337	V329-E333 PolarHBondContact O-N 3.49Å; E333-L336 PolarHBondContact O-N 3.17Å; E333-A337 WeakPolarHBondContact O-CB 3.42Å; E333-A337 PolarHBondContact O-N 3.37Å
334	Q	76.8	Confident	75.5	Confident	87 Å²	87	84.9 Å²	84.9	41%	0.407	46%	0.46	S	S	.	.	H	α-helix	trans	-70.7	-38.2	174.1	-71.3	174.2	-15.4	0	0	113	L330 I331 R332 A337 G338 T339	L330-Q334 WeakPolarHBondContact O-CG 3.3Å; L330-Q334 PolarHBondContact O-N 2.73Å; I331-Q334 WeakPolarHBondContact O-CB 3.41Å; I331-Q334 PolarHBondContact O-N 3.23Å; I331-Q334 VanDerWaalsContact O-N 3.16Å; R332-Q334 PolarHBondContact O-N 2.88Å; Q334-A337 CarbonylContact O-C 3.59Å; Q334-A337 WeakPolarHBondContact O-CB 3.37Å; Q334-A337 PolarHBondContact O-N 3.04Å; Q334-G338 PolarHBondContact O-N 3.24Å; Q334-T339 PolarHBondContact O-N 2.79Å; Q334-T339 VanDerWaalsContact O-N 3.13Å; Q334-T339 PolarHBondContact O-OG1 3.01Å; Q334-T339 VanDerWaalsContact O-OG1 3.08Å
335	A	73.7	Confident	76	Confident	25 Å²	25	78.1 Å²	78.1	21%	0.207	44%	0.436	C	S	.	.	H	α-helix	trans	-65	-39.5	171.5	0	0	0	0	0	112	I331 R332 A337 G338 V340 M345	I331-A335 PolarHBondContact O-N 2.93Å; R332-A335 PolarHBondContact O-N 2.72Å; R332-A335 VanDerWaalsContact O-N 3.16Å; A335-A337 VanDerWaalsContact C-N 3.27Å; A335-A337 PolarHBondContact O-N 3Å; A335-G338 WeakPolarHBondContact O-CA 3.43Å; A335-G338 PolarHBondContact O-N 3.45Å; A335-V340 HydrophobicContact CB-CB 4.22Å; A335-M345 HydrophobicContact CB-CB 4.16Å; A335-M345 HydrophobicContact CB-CE 3.94Å; A335-M345 HydrophobicContact CB-CG 4.19Å
336	L	73.3	Confident	76.5	Confident	142 Å²	142	75.1 Å²	75.1	74%	0.743	42%	0.424	S	S	*	.	H	α-helix	trans	-64.8	-29.9	172.5	-68.7	174.4	0	0	0	112.7	R332 E333 G338	R332-L336 WeakPolarHBondContact O-CG 3.33Å; R332-L336 PolarHBondContact O-N 3Å; E333-L336 PolarHBondContact O-N 3.17Å; L336-G338 PolarHBondContact O-N 3.44Å
337	A	73.3	Confident	77.2	Confident	74 Å²	74	72.6 Å²	72.6	61%	0.612	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	0.2	169.5	0	0	0	0	0	113.9	E333 Q334 A335	E333-A337 WeakPolarHBondContact O-CB 3.42Å; E333-A337 PolarHBondContact O-N 3.37Å; Q334-A337 CarbonylContact O-C 3.59Å; Q334-A337 WeakPolarHBondContact O-CB 3.37Å; Q334-A337 PolarHBondContact O-N 3.04Å; A335-A337 VanDerWaalsContact C-N 3.27Å; A335-A337 PolarHBondContact O-N 3Å
338	G	71.5	Confident	77.8	Confident	65 Å²	65	72.3 Å²	72.3	67%	0.67	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	17.5	176	0	0	0	0	0	115.3	Q334 A335 L336	Q334-G338 PolarHBondContact O-N 3.24Å; A335-G338 WeakPolarHBondContact O-CA 3.43Å; A335-G338 PolarHBondContact O-N 3.45Å; L336-G338 PolarHBondContact O-N 3.44Å
339	T	71	Confident	78.4	Confident	103 Å²	103	72.8 Å²	72.8	63%	0.632	42%	0.415	S	S	*	.	S	Bend	trans	-95.7	-3.8	-178.1	66.8	0	0	0	0	114.6	Q334	Q334-T339 PolarHBondContact O-N 2.79Å; Q334-T339 VanDerWaalsContact O-N 3.13Å; Q334-T339 PolarHBondContact O-OG1 3.01Å; Q334-T339 VanDerWaalsContact O-OG1 3.08Å
340	V	71.6	Confident	78.9	Confident	35 Å²	35	69.2 Å²	69.2	21%	0.212	39%	0.394	C	S	.	.	S	Bend	trans	-140.5	140.3	-179.9	-176.5	0	0	0	0	108.1	A335 E344	A335-V340 HydrophobicContact CB-CB 4.22Å; V340-E344 HydrophobicContact CG1-CB 3.91Å
341	A	78.8	Confident	79.4	Confident	47 Å²	47	68.4 Å²	68.4	39%	0.388	40%	0.397	S	S	.	.			trans	-70.4	153.7	177.4	0	0	0	0	0	111.9	D343 E344 M345	A341-D343 PolarHBondContact O-N 3.39Å; A341-E344 HydrophobicContact CB-CB 4.34Å; A341-E344 HydrophobicContact CB-CG 4.03Å; A341-E344 WeakPolarHBondContact CB-OE2 3.39Å; A341-E344 PolarHBondContact N-OE2 2.78Å; A341-E344 PolarHBondContact O-N 2.71Å; A341-M345 WeakPolarHBondContact O-CB 3.44Å; A341-M345 PolarHBondContact O-N 2.87Å
342	T	78.1	Confident	79.8	Confident	98 Å²	98	69.7 Å²	69.7	60%	0.601	40%	0.403	S	S	*	.	H	α-helix	trans	-54.3	-41.2	175	40.1	0	0	0	0	112.1	M345 N346	T342-M345 WeakPolarHBondContact O-CB 3.48Å; T342-M345 PolarHBondContact O-N 3.19Å; T342-N346 VanDerWaalsContact O-CG 3.26Å; T342-N346 PolarHBondContact O-N 2.83Å; T342-N346 PolarHBondContact O-OD1 3.33Å
343	D	81.2	Confident	80.2	Confident	109 Å²	109	65.1 Å²	65.1	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-77.3	-36.1	-171.2	-46	-2.4	0	0	0	109.9	A341 N346 I347	A341-D343 PolarHBondContact O-N 3.39Å; D343-N346 PolarHBondContact O-N 2.91Å; D343-I347 WeakPolarHBondContact O-CD1 3.25Å; D343-I347 VanDerWaalsContact O-CG1 3.25Å; D343-I347 WeakPolarHBondContact O-CG1 3.5Å; D343-I347 PolarHBondContact O-N 3.37Å
344	E	81	Confident	80.7	Confident	100 Å²	100	60.5 Å²	60.5	47%	0.467	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-40.6	170.2	-64.4	177.2	138.1	0	0	111.6	V340 A341 I347 I348	V340-E344 HydrophobicContact CG1-CB 3.91Å; A341-E344 HydrophobicContact CB-CB 4.34Å; A341-E344 HydrophobicContact CB-CG 4.03Å; A341-E344 WeakPolarHBondContact CB-OE2 3.39Å; A341-E344 PolarHBondContact N-OE2 2.78Å; A341-E344 PolarHBondContact O-N 2.71Å; E344-I347 PolarHBondContact O-N 2.99Å; E344-I348 WeakPolarHBondContact O-CB 3.12Å; E344-I348 WeakPolarHBondContact O-CD1 3.5Å; E344-I348 VanDerWaalsContact O-CG1 3.24Å; E344-I348 WeakPolarHBondContact O-CG1 3.5Å; E344-I348 PolarHBondContact O-N 3.45Å
345	M	80.1	Confident	81.1	Confident	15 Å²	15	59.4 Å²	59.4	7%	0.074	37%	0.369	C	S	.	.	H	α-helix	trans	-61.6	-44.4	174.8	165.4	49.7	51.5	0	0	112	I331 R332 A335 A341 T342 I348 T349	I331-M345 HydrophobicContact CB-CE 3.88Å; I331-M345 HydrophobicContact CG2-CE 3.42Å; I331-M345 VanDerWaalsContact CG2-CE 3.42Å; I331-M345 WeakPolarHBondContact O-CE 3.38Å; R332-M345 HydrophobicContact CB-CE 4.48Å; R332-M345 HydrophobicContact CB-SD 4.45Å; R332-M345 HydrophobicContact CG-CE 4.02Å; R332-M345 HydrophobicContact CG-SD 3.44Å; R332-M345 WeakPolarHBondContact CG-SD 3.38Å; A335-M345 HydrophobicContact CB-CB 4.16Å; A335-M345 HydrophobicContact CB-CE 3.94Å; A335-M345 HydrophobicContact CB-CG 4.19Å; A341-M345 WeakPolarHBondContact O-CB 3.44Å; A341-M345 PolarHBondContact O-N 2.87Å; T342-M345 WeakPolarHBondContact O-CB 3.48Å; T342-M345 PolarHBondContact O-N 3.19Å; M345-I348 PolarHBondContact O-N 3.39Å; M345-T349 WeakPolarHBondContact O-CB 3.48Å; M345-T349 PolarHBondContact O-N 3.07Å; M345-T349 PolarHBondContact O-OG1 3.21Å; M345-T349 PolarHBondContact SD-OG1 3.36Å
346	N	85.3	Confident	81.7	Confident	61 Å²	61	63 Å²	63	33%	0.326	39%	0.389	S	S	.	.	H	α-helix	trans	-61.2	-49.2	175.4	-72.8	4.5	0	0	0	110.7	T342 D343 I348 T349 G350 I490 Q491	T342-N346 VanDerWaalsContact O-CG 3.26Å; T342-N346 PolarHBondContact O-N 2.83Å; T342-N346 PolarHBondContact O-OD1 3.33Å; D343-N346 PolarHBondContact O-N 2.91Å; N346-I348 VanDerWaalsContact C-N 3.34Å; N346-I348 PolarHBondContact O-N 2.97Å; N346-T349 WeakPolarHBondContact O-CB 3.48Å; N346-T349 PolarHBondContact O-N 3.28Å; N346-G350 PolarHBondContact O-N 2.95Å; N346-I490 WeakPolarHBondContact CB-O 3.38Å; N346-Q491 HydrophobicContact CB-CB 4.09Å; N346-Q491 HydrophobicContact CB-CG 4.23Å; N346-Q491 WeakPolarHBondContact O-CG 3.34Å; N346-Q491 PolarHBondContact O-OE1 3.22Å
347	I	89.9	Confident	82.6	Confident	77 Å²	77	59.3 Å²	59.3	40%	0.395	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-42.4	177.6	-68.5	162.1	0	0	0	112.1	D343 E344 A351 I489 I490	D343-I347 WeakPolarHBondContact O-CD1 3.25Å; D343-I347 VanDerWaalsContact O-CG1 3.25Å; D343-I347 WeakPolarHBondContact O-CG1 3.5Å; D343-I347 PolarHBondContact O-N 3.37Å; E344-I347 PolarHBondContact O-N 2.99Å; I347-A351 VanDerWaalsContact O-CB 3.22Å; I347-A351 WeakPolarHBondContact O-CB 3.38Å; I347-A351 PolarHBondContact O-N 3.01Å; I347-I489 WeakPolarHBondContact CA-O 3.47Å; I347-I490 HydrophobicContact CG1-CG2 4.4Å
348	I	86.6	Confident	83.6	Confident	64 Å²	64	57.4 Å²	57.4	33%	0.328	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-39.7	176	-69.5	164.5	0	0	0	110.9	I331 E344 M345 N346 L352	I331-I348 HydrophobicContact CD1-CG2 4.05Å; E344-I348 WeakPolarHBondContact O-CB 3.12Å; E344-I348 WeakPolarHBondContact O-CD1 3.5Å; E344-I348 VanDerWaalsContact O-CG1 3.24Å; E344-I348 WeakPolarHBondContact O-CG1 3.5Å; E344-I348 PolarHBondContact O-N 3.45Å; M345-I348 PolarHBondContact O-N 3.39Å; N346-I348 VanDerWaalsContact C-N 3.34Å; N346-I348 PolarHBondContact O-N 2.97Å; I348-L352 HydrophobicContact CG2-CD1 4.22Å; I348-L352 WeakPolarHBondContact O-CG 3.44Å; I348-L352 PolarHBondContact O-N 3.49Å; I348-L352 VanDerWaalsContact O-N 3.11Å
349	T	84.6	Confident	84.6	Confident	19 Å²	19	54.3 Å²	54.3	12%	0.117	32%	0.315	C	S	.	.	H	α-helix	trans	-66.1	-47.5	178.3	-66.8	0	0	0	0	111.7	M345 N346 L352 A353	M345-T349 WeakPolarHBondContact O-CB 3.48Å; M345-T349 PolarHBondContact O-N 3.07Å; M345-T349 PolarHBondContact O-OG1 3.21Å; M345-T349 PolarHBondContact SD-OG1 3.36Å; N346-T349 WeakPolarHBondContact O-CB 3.48Å; N346-T349 PolarHBondContact O-N 3.28Å; T349-L352 PolarHBondContact O-N 3.47Å; T349-A353 WeakPolarHBondContact O-CB 3.33Å; T349-A353 PolarHBondContact O-N 2.84Å
350	G	88.1	Confident	85.6	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-45	176	0	0	0	0	0	112.3	N346 L352 A353 L354 E488	N346-G350 PolarHBondContact O-N 2.95Å; G350-L352 VanDerWaalsContact C-N 3.3Å; G350-L352 PolarHBondContact O-N 2.96Å; G350-A353 CarbonylContact O-C 3.55Å; G350-A353 PolarHBondContact O-N 2.93Å; G350-A353 VanDerWaalsContact O-N 3.11Å; G350-L354 PolarHBondContact O-N 2.89Å; G350-E488 VanDerWaalsContact CA-O 3.31Å; G350-E488 WeakPolarHBondContact CA-O 3.39Å
351	A	89.3	Confident	86.5	Confident	49 Å²	49	54 Å²	54	41%	0.405	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-32.4	176.6	0	0	0	0	0	114	I347	I347-A351 VanDerWaalsContact O-CB 3.22Å; I347-A351 WeakPolarHBondContact O-CB 3.38Å; I347-A351 PolarHBondContact O-N 3.01Å
352	L	86.4	Confident	87.1	Confident	55 Å²	55	52.9 Å²	52.9	29%	0.288	30%	0.302	S	S	.	.	H	α-helix	trans	-71.9	-45.1	171.2	-72.3	169.1	0	0	0	111.3	I348 T349 G350 L354 T355	I348-L352 HydrophobicContact CG2-CD1 4.22Å; I348-L352 WeakPolarHBondContact O-CG 3.44Å; I348-L352 PolarHBondContact O-N 3.49Å; I348-L352 VanDerWaalsContact O-N 3.11Å; T349-L352 PolarHBondContact O-N 3.47Å; G350-L352 VanDerWaalsContact C-N 3.3Å; G350-L352 PolarHBondContact O-N 2.96Å; L352-L354 VanDerWaalsContact C-N 3.28Å; L352-L354 PolarHBondContact O-N 3.24Å; L352-T355 PolarHBondContact O-N 2.56Å; L352-T355 PolarHBondContact O-OG1 3.37Å
353	A	85.8	Confident	87.7	Confident	22 Å²	22	50 Å²	50	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-26.3	-179.8	0	0	0	0	0	113.7	T349 G350 T355 T356 K357	T349-A353 WeakPolarHBondContact O-CB 3.33Å; T349-A353 PolarHBondContact O-N 2.84Å; G350-A353 CarbonylContact O-C 3.55Å; G350-A353 PolarHBondContact O-N 2.93Å; G350-A353 VanDerWaalsContact O-N 3.11Å; A353-T355 PolarHBondContact O-N 2.72Å; A353-T356 PolarHBondContact O-N 3.41Å; A353-T356 PolarHBondContact O-OG1 3.31Å; A353-K357 PolarHBondContact O-N 2.91Å
354	L	88	Confident	88.2	Confident	23 Å²	23	47.1 Å²	47.1	12%	0.12	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.1	175.4	-166.2	76	0	0	0	113.8	G350 L352 L444 G445 L448 V485 I489	G350-L354 PolarHBondContact O-N 2.89Å; L352-L354 VanDerWaalsContact C-N 3.28Å; L352-L354 PolarHBondContact O-N 3.24Å; L354-L444 HydrophobicContact CD1-CB 3.48Å; L354-L444 VanDerWaalsContact CD1-CB 3.48Å; L354-L444 HydrophobicContact CD1-CD1 4.24Å; L354-L444 HydrophobicContact CG-CB 4.16Å; L354-G445 PolarHBondContact O-N 3.43Å; L354-L448 HydrophobicContact CD2-CD2 3.89Å; L354-V485 HydrophobicContact CD1-CG1 4.26Å; L354-I489 HydrophobicContact CD1-CD1 3.96Å; L354-I489 HydrophobicContact CD1-CG1 3.84Å; L354-I489 HydrophobicContact CD2-CD1 4.03Å; L354-I489 HydrophobicContact CD2-CG1 4.33Å
355	T	85	Confident	88.7	Confident	64 Å²	64	45 Å²	45	39%	0.393	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-10.1	176.6	66.3	0	0	0	0	114.6	L352 A353	L352-T355 PolarHBondContact O-N 2.56Å; L352-T355 PolarHBondContact O-OG1 3.37Å; A353-T355 PolarHBondContact O-N 2.72Å
356	T	87.3	Confident	89.2	Confident	101 Å²	101	45.1 Å²	45.1	62%	0.62	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-25.4	-178.9	53.5	0	0	0	0	113.5	A353	A353-T356 PolarHBondContact O-N 3.41Å; A353-T356 PolarHBondContact O-OG1 3.31Å
357	K	91.3	Very high	89.4	Confident	63 Å²	63	45.9 Å²	45.9	27%	0.274	28%	0.275	S	S	.	.			trans	-78.4	146.3	172.1	-77	-168.2	168.2	-174.4	0	111.9	A353 D361 N443 L444 E488	A353-K357 PolarHBondContact O-N 2.91Å; K357-D361 HydrophobicContact CD-CB 4.46Å; K357-D361 HydrophobicContact CG-CB 4.49Å; K357-N443 WeakPolarHBondContact O-CA 3.47Å; K357-L444 HydrophobicContact CB-CD1 3.5Å; K357-L444 HydrophobicContact CB-CG 3.98Å; K357-L444 HydrophobicContact CD-CD1 4.26Å; K357-L444 PolarHBondContact O-N 2.81Å; K357-E488 IonicContact NZ-OE1 3.97Å; K357-E488 PolarHBondContact NZ-OE1 2.83Å; K357-E488 IonicContact NZ-OE2 2.76Å; K357-E488 PolarHBondContact NZ-OE2 2.81Å
358	T	93.8	Very high	89.4	Confident	34 Å²	34	46.5 Å²	46.5	21%	0.209	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-103.9	166.7	176.4	65.8	0	0	0	0	110.8	A360 D361 T442 L444	T358-A360 PolarHBondContact O-N 2.91Å; T358-A360 PolarHBondContact OG1-N 2.9Å; T358-D361 WeakPolarHBondContact CA-OD2 3.41Å; T358-D361 WeakPolarHBondContact CB-OD2 3.33Å; T358-D361 PolarHBondContact N-OD2 2.96Å; T358-D361 PolarHBondContact O-N 3.06Å; T358-D361 PolarHBondContact OG1-OD2 3.42Å; T358-T442 CarbonylContact C-O 3.59Å; T358-T442 WeakPolarHBondContact CA-O 3.22Å; T358-L444 WeakPolarHBondContact O-CD2 3.34Å
359	V	93.7	Very high	89.5	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62.1	-31.3	171.9	168.1	0	0	0	0	111.2	D361 V362 M363 V438 D440 T442 L444 M447 V461 V480	V359-D361 PolarHBondContact O-N 3.21Å; V359-V362 PolarHBondContact O-N 3.33Å; V359-V362 VanDerWaalsContact O-N 3.16Å; V359-M363 WeakPolarHBondContact O-CB 3.4Å; V359-M363 PolarHBondContact O-N 2.93Å; V359-V438 HydrophobicContact CG1-CG2 4.27Å; V359-D440 PolarHBondContact N-O 2.79Å; V359-T442 WeakPolarHBondContact CG2-O 3.16Å; V359-T442 PolarHBondContact N-O 3.01Å; V359-L444 HydrophobicContact CG2-CD2 4.13Å; V359-M447 HydrophobicContact CG2-CB 3.84Å; V359-M447 HydrophobicContact CG2-CG 3.76Å; V359-M447 HydrophobicContact CG2-SD 3.89Å; V359-V461 HydrophobicContact CG1-CB 4.34Å; V359-V461 HydrophobicContact CG1-CG1 3.88Å; V359-V461 HydrophobicContact CG1-CG2 3.45Å; V359-V461 VanDerWaalsContact CG1-CG2 3.45Å; V359-V480 HydrophobicContact CG1-CB 4.14Å; V359-V480 HydrophobicContact CG1-CG1 3.79Å
360	A	91.8	Very high	89.9	Confident	36 Å²	36	44.7 Å²	44.7	30%	0.298	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25.4	174.8	0	0	0	0	0	114.2	T358 V362 M363 D440	T358-A360 PolarHBondContact O-N 2.91Å; T358-A360 PolarHBondContact OG1-N 2.9Å; A360-V362 VanDerWaalsContact C-N 3.29Å; A360-M363 HydrophobicContact CB-CE 4.3Å; A360-D440 HydrophobicContact CB-CB 4.11Å; A360-D440 PolarHBondContact N-O 2.83Å; A360-D440 VanDerWaalsContact N-O 3.09Å
361	D	91	Very high	90.1	Very high	95 Å²	95	45.5 Å²	45.5	51%	0.508	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-78.8	-11.2	179.6	-59.1	-66.7	0	0	0	113.3	K357 T358 V359	K357-D361 HydrophobicContact CD-CB 4.46Å; K357-D361 HydrophobicContact CG-CB 4.49Å; T358-D361 WeakPolarHBondContact CA-OD2 3.41Å; T358-D361 WeakPolarHBondContact CB-OD2 3.33Å; T358-D361 PolarHBondContact N-OD2 2.96Å; T358-D361 PolarHBondContact O-N 3.06Å; T358-D361 PolarHBondContact OG1-OD2 3.42Å; V359-D361 PolarHBondContact O-N 3.21Å
362	V	90.8	Very high	90.3	Very high	24 Å²	24	43.6 Å²	43.6	15%	0.145	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-18.2	-166.9	-169	0	0	0	0	113	V359 A360 L444 D484 E488	V359-V362 PolarHBondContact O-N 3.33Å; V359-V362 VanDerWaalsContact O-N 3.16Å; A360-V362 VanDerWaalsContact C-N 3.29Å; V362-L444 HydrophobicContact CB-CD2 4.32Å; V362-L444 HydrophobicContact CG2-CD1 3.63Å; V362-L444 HydrophobicContact CG2-CD2 3.82Å; V362-L444 HydrophobicContact CG2-CG 4.28Å; V362-D484 HydrophobicContact CG1-CB 3.65Å; V362-E488 HydrophobicContact CG1-CG 3.95Å; V362-E488 HydrophobicContact CG2-CG 3.78Å
363	M	90.9	Very high	90.7	Very high	39 Å²	39	42.3 Å²	42.3	19%	0.192	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-60.8	140.2	-176.4	65	-177.8	177.8	0	0	113.8	V359 A360 V461 I477 L479	V359-M363 WeakPolarHBondContact O-CB 3.4Å; V359-M363 PolarHBondContact O-N 2.93Å; A360-M363 HydrophobicContact CB-CE 4.3Å; M363-V461 HydrophobicContact CB-CG2 3.94Å; M363-V461 HydrophobicContact SD-CB 4.13Å; M363-V461 HydrophobicContact SD-CG1 3.81Å; M363-V461 HydrophobicContact SD-CG2 4.4Å; M363-I477 HydrophobicContact CE-CG2 3.64Å; M363-I477 HydrophobicContact SD-CB 4.45Å; M363-I477 HydrophobicContact SD-CG2 3.89Å; M363-L479 CarbonylContact C-O 3.41Å; M363-L479 WeakPolarHBondContact CA-O 3.12Å
364	T	91.7	Very high	91.1	Very high	48 Å²	48	42.1 Å²	42.1	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.2	163.8	-61.8	0	0	0	0	109.6	G478 L479	T364-G478 CarbonylContact O-C 3.59Å; T364-G478 WeakPolarHBondContact O-CA 3.37Å; T364-L479 PolarHBondContact N-O 3.18Å; T364-L479 PolarHBondContact O-N 2.84Å
365	P	91.5	Very high	91.3	Very high	55 Å²	55	45.4 Å²	45.4	36%	0.357	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	145.6	176.5	-24.7	35.4	0	0	0	113.4	S367 D368 A369	P365-S367 PolarHBondContact O-N 3.21Å; P365-D368 PolarHBondContact O-N 3.28Å; P365-A369 PolarHBondContact O-N 3.35Å; P365-A369 VanDerWaalsContact O-N 3.17Å
366	L	90.9	Very high	91.6	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.089	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	179.9	-169.1	65.7	0	0	0	112.8	D368 M371 R401 Q402 I404 M476 I477	L366-D368 VanDerWaalsContact C-N 3.31Å; L366-M371 HydrophobicContact CD1-CE 3.75Å; L366-M371 HydrophobicContact CD1-SD 3.53Å; L366-M371 VanDerWaalsContact CD1-SD 3.53Å; L366-M371 HydrophobicContact CG-SD 4.27Å; L366-R401 HydrophobicContact CD2-CB 4.47Å; L366-R401 PolarHBondContact O-NH1 2.93Å; L366-R401 PolarHBondContact O-NH2 2.81Å; L366-Q402 HydrophobicContact CD2-CG 4.38Å; L366-I404 HydrophobicContact CD1-CD1 4.04Å; L366-M476 HydrophobicContact CD2-CB 4.5Å; L366-M476 WeakPolarHBondContact CD2-O 3.07Å; L366-I477 WeakPolarHBondContact CB-O 3.4Å; L366-I477 PolarHBondContact N-O 3.1Å
367	S	89.5	Confident	91.8	Very high	78 Å²	78	42.3 Å²	42.3	55%	0.545	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-44.7	170.3	46.2	0	0	0	0	111.5	P365 R401	P365-S367 PolarHBondContact O-N 3.21Å; S367-R401 PolarHBondContact O-NH1 3.26Å
368	D	88.6	Confident	91.8	Very high	89 Å²	89	39.3 Å²	39.3	48%	0.476	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-24.2	-162.3	-46.7	-21.4	0	0	0	111.6	P365 L366 F370	P365-D368 PolarHBondContact O-N 3.28Å; L366-D368 VanDerWaalsContact C-N 3.31Å; D368-F370 PolarHBondContact O-N 3.41Å
369	A	90.2	Very high	91.5	Very high	11 Å²	11	40 Å²	40	9%	0.091	24%	0.24	C	C	.	.	S	Bend	trans	-57.3	129.7	172	0	0	0	0	0	111.9	P365 M371 R401 L479	P365-A369 PolarHBondContact O-N 3.35Å; P365-A369 VanDerWaalsContact O-N 3.17Å; A369-M371 HydrophobicContact CB-CG 4.42Å; A369-R401 PolarHBondContact O-NH2 2.93Å; A369-L479 HydrophobicContact CB-CD2 3.84Å; A369-L479 HydrophobicContact CB-CG 4.48Å
370	F	91.9	Very high	90.9	Very high	34 Å²	34	41.5 Å²	41.5	15%	0.149	25%	0.247	C	C	.	.			trans	-73.2	131.1	168.6	177.1	-114.1	0	0	0	110.5	D368 L372 E385 I386 N389 Y391 I394 P395	D368-F370 PolarHBondContact O-N 3.41Å; F370-L372 HydrophobicContact CZ-CD2 4.05Å; F370-E385 HydrophobicContact CE2-CG 4.07Å; F370-E385 HydrophobicContact CZ-CG 3.97Å; F370-I386 HydrophobicContact CE1-CG1 4.35Å; F370-N389 HydrophobicContact CD1-CB 4.35Å; F370-N389 VanDerWaalsContact CD2-ND2 3.29Å; F370-N389 WeakPolarHBondContact CD2-ND2 3.49Å; F370-N389 HydrophobicContact CE1-CB 4.48Å; F370-N389 WeakPolarHBondContact CE2-ND2 3Å; F370-N389 WeakPolarHBondContact CZ-ND2 3.42Å; F370-Y391 HydrophobicContact CB-CD2 3.77Å; F370-Y391 HydrophobicContact CB-CE2 3.64Å; F370-Y391 AromaticContact CD1-CD2 4Å; F370-Y391 HydrophobicContact CD1-CD2 4Å; F370-Y391 HydrophobicContact CG-CD2 4.24Å; F370-Y391 HydrophobicContact CG-CE2 4.4Å; F370-I394 HydrophobicContact CD1-CD1 4.36Å; F370-I394 HydrophobicContact CD1-CG1 4.3Å; F370-I394 HydrophobicContact CD1-CG2 4.09Å; F370-I394 HydrophobicContact CE1-CD1 4.04Å; F370-I394 HydrophobicContact CE1-CG1 4.44Å; F370-I394 HydrophobicContact CE1-CG2 4.15Å; F370-P395 WeakPolarHBondContact O-CD 3.36Å
371	M	93.2	Very high	90.6	Very high	19 Å²	19	44.7 Å²	44.7	9%	0.094	26%	0.256	C	S	.	.			trans	-143	155.6	-174.9	-52	176.7	79.6	0	0	111.6	L366 A369 P395 Y397 R401 I404	L366-M371 HydrophobicContact CD1-CE 3.75Å; L366-M371 HydrophobicContact CD1-SD 3.53Å; L366-M371 VanDerWaalsContact CD1-SD 3.53Å; L366-M371 HydrophobicContact CG-SD 4.27Å; A369-M371 HydrophobicContact CB-CG 4.42Å; M371-P395 WeakPolarHBondContact CA-O 3.26Å; M371-P395 HydrophobicContact CE-CB 3.78Å; M371-P395 HydrophobicContact CG-CB 4.13Å; M371-P395 HydrophobicContact CG-CG 4.39Å; M371-Y397 HydrophobicContact CB-CD1 3.87Å; M371-Y397 HydrophobicContact CB-CE1 4.16Å; M371-Y397 HydrophobicContact CE-CD1 4.22Å; M371-R401 HydrophobicContact SD-CB 4.35Å; M371-R401 PolarHBondContact SD-NE 2.99Å; M371-R401 VanDerWaalsContact SD-NE 3.42Å; M371-R401 PolarHBondContact SD-NH2 3.31Å; M371-I404 HydrophobicContact CE-CD1 3.62Å; M371-I404 HydrophobicContact CE-CG1 3.74Å
372	L	93.7	Very high	90.4	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.4	176.4	-64.9	168	0	0	0	111.7	F370 T382 I386 I394 P395 V396 Y397 L408	F370-L372 HydrophobicContact CZ-CD2 4.05Å; L372-T382 HydrophobicContact CD2-CG2 3.9Å; L372-I386 HydrophobicContact CD1-CD1 3.7Å; L372-I386 HydrophobicContact CD1-CG1 3.99Å; L372-I386 HydrophobicContact CD2-CG1 4.47Å; L372-I394 HydrophobicContact CD1-CG2 3.84Å; L372-I394 HydrophobicContact CG-CG2 3.86Å; L372-P395 PolarHBondContact N-O 3.41Å; L372-V396 HydrophobicContact CB-CG2 4.48Å; L372-V396 CarbonylContact O-C 3.49Å; L372-V396 VanDerWaalsContact O-CA 3.27Å; L372-V396 WeakPolarHBondContact O-CA 3.44Å; L372-Y397 WeakPolarHBondContact O-CD1 3.42Å; L372-Y397 PolarHBondContact O-N 3.29Å; L372-L408 HydrophobicContact CD1-CD2 3.72Å
373	S	94.5	Very high	90.2	Very high	27 Å²	27	40.6 Å²	40.6	19%	0.189	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140.6	169.5	-179.2	0	0	0	0	110.9	S375 A376	S373-S375 PolarHBondContact O-N 2.95Å; S373-S375 PolarHBondContact OG-N 2.86Å; S373-S375 PolarHBondContact OG-OG 3Å; S373-A376 VanDerWaalsContact O-CB 3.25Å; S373-A376 WeakPolarHBondContact O-CB 3.38Å; S373-A376 PolarHBondContact O-N 3.26Å
374	Y	93.3	Very high	89.8	Confident	19 Å²	19	39.8 Å²	39.8	8%	0.075	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.9	173.2	-162.1	-104.9	0	0	0	113.3	V396 Y397 E398 R405 S425 C428 D429	Y374-V396 HydrophobicContact CD2-CG1 3.87Å; Y374-Y397 WeakPolarHBondContact CB-O 3.23Å; Y374-Y397 PolarHBondContact N-O 2.88Å; Y374-E398 HydrophobicContact CG-CB 4.38Å; Y374-R405 HydrophobicContact CD2-CB 4.4Å; Y374-R405 HydrophobicContact CD2-CG 4.19Å; Y374-R405 VanDerWaalsContact CE1-CZ 3.46Å; Y374-R405 HydrophobicContact CE2-CG 4Å; Y374-R405 PolarHBondContact OH-NE 3Å; Y374-R405 PolarHBondContact OH-NH2 3.35Å; Y374-S425 PolarHBondContact O-N 3.23Å; Y374-S425 PolarHBondContact OH-O 3.46Å; Y374-C428 HydrophobicContact CE2-CB 4.19Å; Y374-D429 PolarHBondContact OH-OD1 3.36Å; Y374-D429 PolarHBondContact OH-OD2 3.34Å
375	S	92.1	Very high	89.5	Confident	91 Å²	91	41 Å²	41	64%	0.636	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-0.2	178.8	57.3	0	0	0	0	114.7	S373	S373-S375 PolarHBondContact O-N 2.95Å; S373-S375 PolarHBondContact OG-N 2.86Å; S373-S375 PolarHBondContact OG-OG 3Å
376	A	91.7	Very high	89.4	Confident	22 Å²	22	38.4 Å²	38.4	18%	0.182	22%	0.215	C	C	.	.			trans	-68.5	148.5	179.6	0	0	0	0	0	112	S373 P423 V424	S373-A376 VanDerWaalsContact O-CB 3.25Å; S373-A376 WeakPolarHBondContact O-CB 3.38Å; S373-A376 PolarHBondContact O-N 3.26Å; A376-P423 CarbonylContact O-C 3.31Å; A376-P423 WeakPolarHBondContact O-CA 3.39Å; A376-V424 HydrophobicContact CB-CG2 4.06Å; A376-V424 WeakPolarHBondContact O-CG2 3.05Å; A376-V424 PolarHBondContact O-N 2.71Å
377	N	92.2	Very high	89.1	Confident	79 Å²	79	42.1 Å²	42.1	42%	0.422	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-94.7	138.5	171.4	-68.1	93.7	0	0	0	110.2	D379 T382 K421	N377-D379 PolarHBondContact O-N 2.78Å; N377-T382 WeakPolarHBondContact O-CB 3.1Å; N377-T382 PolarHBondContact O-OG1 3.38Å; N377-K421 PolarHBondContact ND2-O 2.97Å
378	L	90.6	Very high	88.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.			trans	-79.4	62	171.9	-65.5	166.5	0	0	0	110.1	T382 M383 I386 L413 I416 V422 V424 V427	L378-T382 HydrophobicContact CD2-CG2 4.5Å; L378-M383 HydrophobicContact CB-CG 4.19Å; L378-M383 HydrophobicContact CB-SD 4.33Å; L378-M383 HydrophobicContact CD2-CG 4.37Å; L378-M383 HydrophobicContact CD2-SD 4Å; L378-I386 HydrophobicContact CD2-CD1 4.04Å; L378-L413 HydrophobicContact CD1-CD2 3.67Å; L378-L413 HydrophobicContact CD2-CD2 3.86Å; L378-L413 HydrophobicContact CG-CD2 4.41Å; L378-I416 HydrophobicContact CB-CG2 4.39Å; L378-I416 HydrophobicContact CD1-CD1 3.76Å; L378-I416 HydrophobicContact CD1-CG2 4.33Å; L378-V422 VanDerWaalsContact CB-O 3.3Å; L378-V422 WeakPolarHBondContact CB-O 3.31Å; L378-V422 PolarHBondContact N-O 2.89Å; L378-V424 HydrophobicContact CD1-CG2 4.44Å; L378-V424 HydrophobicContact CD2-CG2 3.8Å; L378-V424 HydrophobicContact CG-CG2 3.83Å; L378-V427 HydrophobicContact CD1-CG2 3.55Å
379	D	87.7	Confident	88.2	Confident	47 Å²	47	36.9 Å²	36.9	25%	0.251	20%	0.198	S	C	.	.			trans	-82.5	-179.1	171.3	84	-2.1	0	0	0	111.5	N377 H381 T382 M383 K421	N377-D379 PolarHBondContact O-N 2.78Å; D379-H381 VanDerWaalsContact C-N 3.26Å; D379-H381 PolarHBondContact O-N 3.33Å; D379-H381 WeakPolarHBondContact OD1-CA 3.48Å; D379-H381 WeakPolarHBondContact OD1-CB 3.22Å; D379-H381 PolarHBondContact OD1-N 3.08Å; D379-T382 PolarHBondContact OD1-N 3.13Å; D379-M383 VanDerWaalsContact O-CB 3.24Å; D379-M383 WeakPolarHBondContact O-CB 3.2Å; D379-M383 VanDerWaalsContact O-CG 3.23Å; D379-M383 WeakPolarHBondContact O-CG 3.41Å; D379-M383 PolarHBondContact O-N 3.28Å; D379-K421 HydrophobicContact CB-CD 4.3Å; D379-K421 HydrophobicContact CB-CG 4.05Å
380	F	82.2	Confident	87.8	Confident	32 Å²	32	37.1 Å²	37.1	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-28.8	-179.4	-173.4	-95.4	0	0	0	113.5	N384 T418 F520 P533 I537	F380-N384 WeakPolarHBondContact O-CB 3.4Å; F380-N384 PolarHBondContact O-N 3.23Å; F380-N384 VanDerWaalsContact O-N 3.13Å; F380-T418 HydrophobicContact CD2-CG2 4.38Å; F380-F520 HydrophobicContact CE1-CB 4.13Å; F380-F520 HydrophobicContact CZ-CB 4.05Å; F380-P533 HydrophobicContact CB-CG 4.29Å; F380-P533 HydrophobicContact CD1-CB 3.75Å; F380-P533 HydrophobicContact CD1-CG 3.91Å; F380-P533 HydrophobicContact CD2-CB 3.61Å; F380-P533 HydrophobicContact CD2-CG 4.27Å; F380-P533 HydrophobicContact CE1-CB 3.78Å; F380-P533 HydrophobicContact CE1-CG 4.35Å; F380-P533 HydrophobicContact CE2-CB 3.63Å; F380-P533 HydrophobicContact CG-CB 3.68Å; F380-P533 HydrophobicContact CG-CG 3.87Å; F380-P533 HydrophobicContact CZ-CB 3.72Å; F380-I537 HydrophobicContact CE2-CD1 3.8Å; F380-I537 HydrophobicContact CZ-CD1 3.94Å
381	H	83.7	Confident	87.6	Confident	104 Å²	104	40.5 Å²	40.5	48%	0.481	21%	0.214	S	C	.	.	H	α-helix	trans	-72.2	-55.8	177.9	-174.9	-75.4	0	0	0	110.4	D379 M383 N384 E385	D379-H381 VanDerWaalsContact C-N 3.26Å; D379-H381 PolarHBondContact O-N 3.33Å; D379-H381 WeakPolarHBondContact OD1-CA 3.48Å; D379-H381 WeakPolarHBondContact OD1-CB 3.22Å; D379-H381 PolarHBondContact OD1-N 3.08Å; H381-M383 VanDerWaalsContact C-N 3.32Å; H381-M383 PolarHBondContact O-N 2.95Å; H381-N384 PolarHBondContact O-N 3.45Å; H381-E385 IonicContact CE1-OE2 2.62Å; H381-E385 IonicContact ND1-OE2 2.65Å; H381-E385 WeakPolarHBondContact O-CB 3.42Å; H381-E385 PolarHBondContact O-N 2.96Å
382	T	87	Confident	87.5	Confident	21 Å²	21	43.1 Å²	43.1	13%	0.129	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-37.8	-178.7	-63.5	0	0	0	0	111.9	L372 N377 L378 D379 E385 I386	L372-T382 HydrophobicContact CD2-CG2 3.9Å; N377-T382 WeakPolarHBondContact O-CB 3.1Å; N377-T382 PolarHBondContact O-OG1 3.38Å; L378-T382 HydrophobicContact CD2-CG2 4.5Å; D379-T382 PolarHBondContact OD1-N 3.13Å; T382-E385 WeakPolarHBondContact O-CB 2.98Å; T382-E385 PolarHBondContact O-N 3.07Å; T382-I386 HydrophobicContact CG2-CD1 4.15Å; T382-I386 WeakPolarHBondContact O-CD1 3.46Å; T382-I386 VanDerWaalsContact O-CG1 3.23Å; T382-I386 WeakPolarHBondContact O-CG1 3.47Å; T382-I386 PolarHBondContact O-N 2.89Å
383	M	86.5	Confident	87.4	Confident	12 Å²	12	45.1 Å²	45.1	6%	0.059	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-41.5	174.5	-72.3	-85.3	-78.5	0	0	112.2	L378 D379 H381 I386 F387 L413 T418	L378-M383 HydrophobicContact CB-CG 4.19Å; L378-M383 HydrophobicContact CB-SD 4.33Å; L378-M383 HydrophobicContact CD2-CG 4.37Å; L378-M383 HydrophobicContact CD2-SD 4Å; D379-M383 VanDerWaalsContact O-CB 3.24Å; D379-M383 WeakPolarHBondContact O-CB 3.2Å; D379-M383 VanDerWaalsContact O-CG 3.23Å; D379-M383 WeakPolarHBondContact O-CG 3.41Å; D379-M383 PolarHBondContact O-N 3.28Å; H381-M383 VanDerWaalsContact C-N 3.32Å; H381-M383 PolarHBondContact O-N 2.95Å; M383-I386 PolarHBondContact O-N 3.16Å; M383-F387 HydrophobicContact CE-CE2 4.15Å; M383-F387 WeakPolarHBondContact O-CD2 3.31Å; M383-F387 PolarHBondContact O-N 3.16Å; M383-L413 HydrophobicContact CE-CB 4.16Å; M383-L413 HydrophobicContact SD-CB 4.16Å; M383-L413 HydrophobicContact SD-CD1 3.86Å; M383-L413 HydrophobicContact SD-CD2 4.13Å; M383-L413 HydrophobicContact SD-CG 4.27Å; M383-T418 HydrophobicContact CB-CG2 4.08Å; M383-T418 HydrophobicContact CE-CG2 4.26Å; M383-T418 HydrophobicContact CG-CG2 4.06Å
384	N	83.3	Confident	87.3	Confident	21 Å²	21	43.9 Å²	43.9	11%	0.112	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-35.1	175.2	-176.6	31.1	0	0	0	112.1	F380 H381 S388 R518	F380-N384 WeakPolarHBondContact O-CB 3.4Å; F380-N384 PolarHBondContact O-N 3.23Å; F380-N384 VanDerWaalsContact O-N 3.13Å; H381-N384 PolarHBondContact O-N 3.45Å; N384-S388 WeakPolarHBondContact O-CB 3.28Å; N384-S388 PolarHBondContact O-N 2.87Å; N384-S388 PolarHBondContact O-OG 3.34Å; N384-R518 VanDerWaalsContact ND2-CA 3.34Å; N384-R518 WeakPolarHBondContact ND2-CA 3.48Å; N384-R518 PolarHBondContact ND2-N 2.89Å
385	E	85.1	Confident	87.4	Confident	73 Å²	73	43.1 Å²	43.1	34%	0.341	23%	0.226	S	C	.	.	H	α-helix	trans	-60.3	-52.9	173.5	-171.8	175.5	179.8	0	0	110.9	F370 H381 T382 F387 S388 N389	F370-E385 HydrophobicContact CE2-CG 4.07Å; F370-E385 HydrophobicContact CZ-CG 3.97Å; H381-E385 IonicContact CE1-OE2 2.62Å; H381-E385 IonicContact ND1-OE2 2.65Å; H381-E385 WeakPolarHBondContact O-CB 3.42Å; H381-E385 PolarHBondContact O-N 2.96Å; T382-E385 WeakPolarHBondContact O-CB 2.98Å; T382-E385 PolarHBondContact O-N 3.07Å; E385-F387 PolarHBondContact O-N 2.74Å; E385-S388 PolarHBondContact O-N 2.81Å; E385-S388 VanDerWaalsContact O-N 3.1Å; E385-S388 PolarHBondContact O-OG 2.83Å; E385-S388 VanDerWaalsContact O-OG 3.13Å; E385-N389 PolarHBondContact O-N 3.16Å; E385-N389 VanDerWaalsContact O-N 3.09Å
386	I	88.7	Confident	87.5	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-49.2	-57.7	173	-71.3	164.9	0	0	0	111.1	F370 L372 L378 T382 M383 S388 N389 G390 I394 L408 V410 L413	F370-I386 HydrophobicContact CE1-CG1 4.35Å; L372-I386 HydrophobicContact CD1-CD1 3.7Å; L372-I386 HydrophobicContact CD1-CG1 3.99Å; L372-I386 HydrophobicContact CD2-CG1 4.47Å; L378-I386 HydrophobicContact CD2-CD1 4.04Å; T382-I386 HydrophobicContact CG2-CD1 4.15Å; T382-I386 WeakPolarHBondContact O-CD1 3.46Å; T382-I386 VanDerWaalsContact O-CG1 3.23Å; T382-I386 WeakPolarHBondContact O-CG1 3.47Å; T382-I386 PolarHBondContact O-N 2.89Å; M383-I386 PolarHBondContact O-N 3.16Å; I386-S388 VanDerWaalsContact C-N 3.28Å; I386-S388 PolarHBondContact O-N 3.45Å; I386-N389 PolarHBondContact O-N 2.84Å; I386-G390 PolarHBondContact O-N 2.98Å; I386-I394 HydrophobicContact CB-CD1 4.33Å; I386-I394 HydrophobicContact CG1-CD1 4.02Å; I386-I394 HydrophobicContact CG2-CD1 3.73Å; I386-L408 HydrophobicContact CD1-CD2 4.45Å; I386-V410 HydrophobicContact CG2-CG2 3.8Å; I386-L413 HydrophobicContact CD1-CD1 4.01Å; I386-L413 HydrophobicContact CG2-CD1 4Å
387	F	84.5	Confident	87.6	Confident	95 Å²	95	40.3 Å²	40.3	42%	0.417	20%	0.198	S	C	.	.	H	α-helix	trans	-67.3	-26.9	-179.1	-69	-59.6	0	0	0	113.2	M383 E385 N389 V410 I925	M383-F387 HydrophobicContact CE-CE2 4.15Å; M383-F387 WeakPolarHBondContact O-CD2 3.31Å; M383-F387 PolarHBondContact O-N 3.16Å; E385-F387 PolarHBondContact O-N 2.74Å; F387-N389 VanDerWaalsContact C-N 3.3Å; F387-V410 HydrophobicContact CD1-CG1 4.06Å; F387-V410 HydrophobicContact CE1-CG1 3.46Å; F387-V410 VanDerWaalsContact CE1-CG1 3.46Å; F387-V410 HydrophobicContact CZ-CG1 4.25Å; F387-I925 HydrophobicContact CE1-CD1 3.92Å; F387-I925 HydrophobicContact CZ-CD1 4.1Å
388	S	78.3	Confident	87.7	Confident	15 Å²	15	39.3 Å²	39.3	11%	0.105	19%	0.19	C	C	.	.	H	α-helix	trans	-80.5	-9.7	178	86.6	0	0	0	0	114.2	N384 E385 I386 I500 K514 R518	N384-S388 WeakPolarHBondContact O-CB 3.28Å; N384-S388 PolarHBondContact O-N 2.87Å; N384-S388 PolarHBondContact O-OG 3.34Å; E385-S388 PolarHBondContact O-N 2.81Å; E385-S388 VanDerWaalsContact O-N 3.1Å; E385-S388 PolarHBondContact O-OG 2.83Å; E385-S388 VanDerWaalsContact O-OG 3.13Å; I386-S388 VanDerWaalsContact C-N 3.28Å; I386-S388 PolarHBondContact O-N 3.45Å; S388-I500 WeakPolarHBondContact O-CD1 3.4Å; S388-K514 PolarHBondContact O-NZ 2.94Å; S388-R518 PolarHBondContact OG-NH2 3.08Å
389	N	82.1	Confident	87.7	Confident	42 Å²	42	46.3 Å²	46.3	23%	0.225	23%	0.228	C	C	.	.	H	α-helix	trans	-103.7	-15	175.4	-69.5	-14.4	0	0	0	113.4	F370 E385 I386 F387 Y391 I500	F370-N389 HydrophobicContact CD1-CB 4.35Å; F370-N389 VanDerWaalsContact CD2-ND2 3.29Å; F370-N389 WeakPolarHBondContact CD2-ND2 3.49Å; F370-N389 HydrophobicContact CE1-CB 4.48Å; F370-N389 WeakPolarHBondContact CE2-ND2 3Å; F370-N389 WeakPolarHBondContact CZ-ND2 3.42Å; E385-N389 PolarHBondContact O-N 3.16Å; E385-N389 VanDerWaalsContact O-N 3.09Å; I386-N389 PolarHBondContact O-N 2.84Å; F387-N389 VanDerWaalsContact C-N 3.3Å; N389-Y391 HydrophobicContact CB-CD2 3.97Å; N389-Y391 HydrophobicContact CB-CE2 4.15Å; N389-Y391 PolarHBondContact O-N 2.92Å; N389-I500 VanDerWaalsContact C-CD1 3.44Å; N389-I500 VanDerWaalsContact CA-CD1 3.47Å; N389-I500 WeakPolarHBondContact O-CD1 3.25Å
390	G	82.3	Confident	87.9	Confident	16 Å²	16	48.3 Å²	48.3	17%	0.165	24%	0.238	C	C	.	.			trans	79.6	-24.9	167.8	0	0	0	0	0	116.8	I386 T392	I386-G390 PolarHBondContact O-N 2.98Å; G390-T392 PolarHBondContact O-N 3.47Å
391	Y	87.7	Confident	88.3	Confident	105 Å²	105	50.8 Å²	50.8	41%	0.412	25%	0.247	S	C	.	.			trans	-55.6	120	-175.1	-58.4	-65	0	0	0	114.3	F370 N389 R393 V410	F370-Y391 HydrophobicContact CB-CD2 3.77Å; F370-Y391 HydrophobicContact CB-CE2 3.64Å; F370-Y391 AromaticContact CD1-CD2 4Å; F370-Y391 HydrophobicContact CD1-CD2 4Å; F370-Y391 HydrophobicContact CG-CD2 4.24Å; F370-Y391 HydrophobicContact CG-CE2 4.4Å; N389-Y391 HydrophobicContact CB-CD2 3.97Å; N389-Y391 HydrophobicContact CB-CE2 4.15Å; N389-Y391 PolarHBondContact O-N 2.92Å; Y391-R393 VanDerWaalsContact C-N 3.28Å; Y391-R393 PolarHBondContact O-N 2.58Å; Y391-V410 WeakPolarHBondContact O-CG2 3.43Å
392	T	89.6	Confident	88.5	Confident	74 Å²	74	49.3 Å²	49.3	45%	0.454	24%	0.24	S	C	.	.	S	Bend	trans	-65.6	-27.2	178.6	-76.9	0	0	0	0	113.7	G390 N409 V410	G390-T392 PolarHBondContact O-N 3.47Å; T392-N409 VanDerWaalsContact O-CA 3.31Å; T392-N409 WeakPolarHBondContact O-CA 3.43Å; T392-V410 PolarHBondContact O-N 2.69Å
393	R	91.4	Very high	88.8	Confident	52 Å²	52	52.3 Å²	52.3	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.5	-174	-44	-179.6	-167.2	95.6	-2	108.6	Y391 V407 M458 E483	Y391-R393 VanDerWaalsContact C-N 3.28Å; Y391-R393 PolarHBondContact O-N 2.58Å; R393-V407 HydrophobicContact CB-CG1 4.14Å; R393-M458 HydrophobicContact CB-CE 3.95Å; R393-M458 HydrophobicContact CB-SD 4.37Å; R393-E483 IonicContact CZ-OE1 3.54Å; R393-E483 IonicContact CZ-OE2 2.66Å; R393-E483 VanDerWaalsContact NH1-CD 3.33Å; R393-E483 IonicContact NH1-OE1 3.8Å; R393-E483 PolarHBondContact NH1-OE1 3.27Å; R393-E483 IonicContact NH1-OE2 3.35Å; R393-E483 PolarHBondContact NH1-OE2 3.16Å; R393-E483 IonicContact NH2-OE1 3.3Å; R393-E483 PolarHBondContact NH2-OE1 3.21Å; R393-E483 IonicContact NH2-OE2 3.37Å
394	I	93.9	Very high	89.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.7	-170.4	-60.5	165.5	0	0	0	109.4	F370 L372 I386 L408 V410	F370-I394 HydrophobicContact CD1-CD1 4.36Å; F370-I394 HydrophobicContact CD1-CG1 4.3Å; F370-I394 HydrophobicContact CD1-CG2 4.09Å; F370-I394 HydrophobicContact CE1-CD1 4.04Å; F370-I394 HydrophobicContact CE1-CG1 4.44Å; F370-I394 HydrophobicContact CE1-CG2 4.15Å; L372-I394 HydrophobicContact CD1-CG2 3.84Å; L372-I394 HydrophobicContact CG-CG2 3.86Å; I386-I394 HydrophobicContact CB-CD1 4.33Å; I386-I394 HydrophobicContact CG1-CD1 4.02Å; I386-I394 HydrophobicContact CG2-CD1 3.73Å; I394-L408 PolarHBondContact N-O 3.26Å; I394-L408 PolarHBondContact O-N 3.16Å; I394-V410 HydrophobicContact CD1-CG2 4.05Å
395	P	94.8	Very high	89.4	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.019	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.6	172.9	-20.4	31.7	0	0	0	112.3	F370 M371 L372 I404 M458 F460 L479	F370-P395 WeakPolarHBondContact O-CD 3.36Å; M371-P395 WeakPolarHBondContact CA-O 3.26Å; M371-P395 HydrophobicContact CE-CB 3.78Å; M371-P395 HydrophobicContact CG-CB 4.13Å; M371-P395 HydrophobicContact CG-CG 4.39Å; L372-P395 PolarHBondContact N-O 3.41Å; P395-I404 HydrophobicContact CB-CG2 4.28Å; P395-M458 HydrophobicContact CG-SD 4.19Å; P395-F460 HydrophobicContact CB-CE1 3.77Å; P395-F460 HydrophobicContact CB-CZ 3.84Å; P395-F460 HydrophobicContact CG-CE1 3.63Å; P395-F460 HydrophobicContact CG-CZ 3.81Å; P395-L479 HydrophobicContact CG-CD2 3.69Å
396	V	94.6	Very high	89.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.6	177.2	-174.1	0	0	0	0	109.7	L372 Y374 R405 S406 L408 V424	L372-V396 HydrophobicContact CB-CG2 4.48Å; L372-V396 CarbonylContact O-C 3.49Å; L372-V396 VanDerWaalsContact O-CA 3.27Å; L372-V396 WeakPolarHBondContact O-CA 3.44Å; Y374-V396 HydrophobicContact CD2-CG1 3.87Å; V396-R405 PolarHBondContact O-N 2.96Å; V396-S406 PolarHBondContact N-O 2.9Å; V396-S406 PolarHBondContact O-N 3.28Å; V396-L408 HydrophobicContact CG2-CB 3.83Å; V396-V424 HydrophobicContact CG1-CG1 3.78Å; V396-V424 HydrophobicContact CG2-CG1 3.97Å
397	Y	94.3	Very high	89.9	Confident	55 Å²	55	54.2 Å²	54.2	22%	0.216	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	148.3	-173.6	72.8	-90.5	0	0	0	112.4	M371 L372 Y374 D400 R401 N403	M371-Y397 HydrophobicContact CB-CD1 3.87Å; M371-Y397 HydrophobicContact CB-CE1 4.16Å; M371-Y397 HydrophobicContact CE-CD1 4.22Å; L372-Y397 WeakPolarHBondContact O-CD1 3.42Å; L372-Y397 PolarHBondContact O-N 3.29Å; Y374-Y397 WeakPolarHBondContact CB-O 3.23Å; Y374-Y397 PolarHBondContact N-O 2.88Å; Y397-D400 WeakPolarHBondContact CB-O 3.3Å; Y397-D400 VanDerWaalsContact CD2-C 3.43Å; Y397-D400 WeakPolarHBondContact CD2-O 3.37Å; Y397-R401 HydrophobicContact CD2-CG 4.47Å; Y397-R401 HydrophobicContact CE1-CG 4.42Å; Y397-R401 HydrophobicContact CE2-CG 4.33Å; Y397-N403 CarbonylContact C-O 3.37Å; Y397-N403 VanDerWaalsContact CA-O 3.3Å; Y397-N403 WeakPolarHBondContact CA-O 3.35Å
398	E	93.8	Very high	90.3	Very high	58 Å²	58	49.8 Å²	49.8	27%	0.271	24%	0.242	S	C	.	.	S	Bend	trans	-112.2	111.7	-179.4	-178.4	164.9	-154.3	0	0	111.2	Y374 D400 N403 R405	Y374-E398 HydrophobicContact CG-CB 4.38Å; E398-D400 PolarHBondContact O-N 2.98Å; E398-N403 PolarHBondContact N-O 3.44Å; E398-N403 PolarHBondContact O-ND2 2.96Å; E398-R405 HydrophobicContact CB-CB 4.38Å; E398-R405 IonicContact OE1-NH1 2.67Å; E398-R405 PolarHBondContact OE1-NH1 3.05Å; E398-R405 WeakPolarHBondContact OE2-CD 3.23Å; E398-R405 IonicContact OE2-CZ 3.58Å; E398-R405 IonicContact OE2-NE 3.41Å; E398-R405 IonicContact OE2-NH1 3.25Å; E398-R405 PolarHBondContact OE2-NH1 3.27Å
399	N	90.3	Very high	91	Very high	146 Å²	146	50 Å²	50	78%	0.781	24%	0.242	S	C	*	.	S	Bend	trans	66.8	-59.4	-173.2	-50.4	-60.3	0	0	0	114.8
400	D	91.9	Very high	91.4	Very high	89 Å²	89	49.4 Å²	49.4	48%	0.476	24%	0.24	S	C	.	.	S	Bend	trans	-112.5	145.1	-179.1	-178.4	21.7	0	0	0	111.2	Y397 E398 Q402 N403	Y397-D400 WeakPolarHBondContact CB-O 3.3Å; Y397-D400 VanDerWaalsContact CD2-C 3.43Å; Y397-D400 WeakPolarHBondContact CD2-O 3.37Å; E398-D400 PolarHBondContact O-N 2.98Å; D400-Q402 PolarHBondContact O-N 3.11Å; D400-N403 PolarHBondContact O-N 2.99Å
401	R	90	Very high	91.8	Very high	84 Å²	84	55.7 Å²	55.7	32%	0.317	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.7	-178.9	-65.8	-168.5	71.8	-179.4	4.7	112.2	L366 S367 A369 M371 Y397 N403 I404	L366-R401 HydrophobicContact CD2-CB 4.47Å; L366-R401 PolarHBondContact O-NH1 2.93Å; L366-R401 PolarHBondContact O-NH2 2.81Å; S367-R401 PolarHBondContact O-NH1 3.26Å; A369-R401 PolarHBondContact O-NH2 2.93Å; M371-R401 HydrophobicContact SD-CB 4.35Å; M371-R401 PolarHBondContact SD-NE 2.99Å; M371-R401 VanDerWaalsContact SD-NE 3.42Å; M371-R401 PolarHBondContact SD-NH2 3.31Å; Y397-R401 HydrophobicContact CD2-CG 4.47Å; Y397-R401 HydrophobicContact CE1-CG 4.42Å; Y397-R401 HydrophobicContact CE2-CG 4.33Å; R401-N403 VanDerWaalsContact C-N 3.26Å; R401-N403 PolarHBondContact O-N 3.34Å; R401-I404 WeakPolarHBondContact O-CG1 3.35Å
402	Q	89.3	Confident	91.9	Very high	73 Å²	73	51.1 Å²	51.1	34%	0.341	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.2	175.5	-58.3	-164.4	-6	0	0	112.5	L366 D400 I404 E475 M476	L366-Q402 HydrophobicContact CD2-CG 4.38Å; D400-Q402 PolarHBondContact O-N 3.11Å; Q402-I404 PolarHBondContact O-N 2.84Å; Q402-I404 VanDerWaalsContact O-N 3.16Å; Q402-E475 PolarHBondContact NE2-OE1 3.03Å; Q402-M476 HydrophobicContact CB-CB 4.43Å; Q402-M476 WeakPolarHBondContact O-CG 3.36Å
403	N	91.5	Very high	91.9	Very high	84 Å²	84	47.8 Å²	47.8	45%	0.449	23%	0.225	S	C	.	.			trans	-89.4	76	-177.2	-176.6	35.8	0	0	0	111.9	Y397 E398 D400 R401 R405	Y397-N403 CarbonylContact C-O 3.37Å; Y397-N403 VanDerWaalsContact CA-O 3.3Å; Y397-N403 WeakPolarHBondContact CA-O 3.35Å; E398-N403 PolarHBondContact N-O 3.44Å; E398-N403 PolarHBondContact O-ND2 2.96Å; D400-N403 PolarHBondContact O-N 2.99Å; R401-N403 VanDerWaalsContact C-N 3.26Å; R401-N403 PolarHBondContact O-N 3.34Å; N403-R405 PolarHBondContact O-N 3.44Å
404	I	92.6	Very high	91.7	Very high	18 Å²	18	47.3 Å²	47.3	9%	0.092	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.9	-177.2	-53.4	-176.2	0	0	0	110.6	L366 M371 P395 R401 Q402 I435 F460 M476	L366-I404 HydrophobicContact CD1-CD1 4.04Å; M371-I404 HydrophobicContact CE-CD1 3.62Å; M371-I404 HydrophobicContact CE-CG1 3.74Å; P395-I404 HydrophobicContact CB-CG2 4.28Å; R401-I404 WeakPolarHBondContact O-CG1 3.35Å; Q402-I404 PolarHBondContact O-N 2.84Å; Q402-I404 VanDerWaalsContact O-N 3.16Å; I404-I435 HydrophobicContact CG2-CD1 4.29Å; I404-F460 HydrophobicContact CD1-CD1 3.33Å; I404-F460 HydrophobicContact CD1-CE1 3.49Å; I404-F460 VanDerWaalsContact CD1-CE1 3.49Å; I404-F460 HydrophobicContact CD1-CG 4.09Å; I404-F460 HydrophobicContact CD1-CZ 4.35Å; I404-F460 HydrophobicContact CG2-CE1 4.13Å; I404-F460 HydrophobicContact CG2-CE2 4.25Å; I404-F460 HydrophobicContact CG2-CZ 3.96Å; I404-M476 HydrophobicContact CB-CE 4.19Å; I404-M476 HydrophobicContact CD1-CE 3.88Å; I404-M476 HydrophobicContact CG1-CE 4.12Å
405	R	90.3	Very high	91.4	Very high	104 Å²	104	55.1 Å²	55.1	39%	0.392	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-31.7	-174.7	173.4	163.8	169.1	168.6	-3.5	114	Y374 V396 E398 N403 D429	Y374-R405 HydrophobicContact CD2-CB 4.4Å; Y374-R405 HydrophobicContact CD2-CG 4.19Å; Y374-R405 VanDerWaalsContact CE1-CZ 3.46Å; Y374-R405 HydrophobicContact CE2-CG 4Å; Y374-R405 PolarHBondContact OH-NE 3Å; Y374-R405 PolarHBondContact OH-NH2 3.35Å; V396-R405 PolarHBondContact O-N 2.96Å; E398-R405 HydrophobicContact CB-CB 4.38Å; E398-R405 IonicContact OE1-NH1 2.67Å; E398-R405 PolarHBondContact OE1-NH1 3.05Å; E398-R405 WeakPolarHBondContact OE2-CD 3.23Å; E398-R405 IonicContact OE2-CZ 3.58Å; E398-R405 IonicContact OE2-NE 3.41Å; E398-R405 IonicContact OE2-NH1 3.25Å; E398-R405 PolarHBondContact OE2-NH1 3.27Å; N403-R405 PolarHBondContact O-N 3.44Å; R405-D429 IonicContact NH2-OD1 2.91Å; R405-D429 PolarHBondContact NH2-OD1 2.95Å; R405-D429 VanDerWaalsContact NH2-OD1 3.1Å; R405-D429 IonicContact NH2-OD2 2.82Å
406	S	91.4	Very high	91	Very high	8 Å²	8	56.6 Å²	56.6	6%	0.056	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	171	-177.9	53.8	0	0	0	0	112.6	V396 C428	V396-S406 PolarHBondContact N-O 2.9Å; V396-S406 PolarHBondContact O-N 3.28Å; S406-C428 VanDerWaalsContact OG-CB 3.27Å; S406-C428 WeakPolarHBondContact OG-CB 3.31Å; S406-C428 PolarHBondContact OG-SG 2.8Å
407	V	93	Very high	90.6	Very high	18 Å²	18	59.1 Å²	59.1	11%	0.109	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.1	168.9	-178.3	0	0	0	0	108.8	R393 R433 M458 F460	R393-V407 HydrophobicContact CB-CG1 4.14Å; V407-R433 WeakPolarHBondContact O-CD 3.32Å; V407-M458 HydrophobicContact CG1-SD 4.19Å; V407-M458 HydrophobicContact CG2-SD 4.35Å; V407-F460 HydrophobicContact CG2-CE2 3.7Å; V407-F460 HydrophobicContact CG2-CZ 3.79Å
408	L	93.1	Very high	90	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128	173.5	178.1	67.6	0	0	0	109	L372 I386 I394 V396 L413 V427	L372-L408 HydrophobicContact CD1-CD2 3.72Å; I386-L408 HydrophobicContact CD1-CD2 4.45Å; I394-L408 PolarHBondContact N-O 3.26Å; I394-L408 PolarHBondContact O-N 3.16Å; V396-L408 HydrophobicContact CG2-CB 3.83Å; L408-L413 HydrophobicContact CD1-CD2 3.98Å; L408-L413 HydrophobicContact CD1-CG 4.5Å; L408-L413 HydrophobicContact CD2-CD1 4.44Å; L408-L413 HydrophobicContact CD2-CD2 4.18Å; L408-L413 HydrophobicContact CG-CD2 4.47Å; L408-V427 HydrophobicContact CD1-CB 4.37Å; L408-V427 HydrophobicContact CD1-CG1 3.77Å
409	N	91.9	Very high	89.3	Confident	20 Å²	20	57.8 Å²	57.8	11%	0.107	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.7	167	-63.9	-41.3	0	0	0	109.8	T392 K411 D412 R433	T392-N409 VanDerWaalsContact O-CA 3.31Å; T392-N409 WeakPolarHBondContact O-CA 3.43Å; N409-K411 HydrophobicContact CB-CG 4Å; N409-K411 PolarHBondContact O-N 2.97Å; N409-K411 VanDerWaalsContact O-N 3.15Å; N409-D412 WeakPolarHBondContact CB-OD2 3.06Å; N409-D412 PolarHBondContact N-OD2 3.3Å; N409-D412 VanDerWaalsContact O-CB 3.23Å; N409-D412 WeakPolarHBondContact O-CB 3.04Å; N409-D412 PolarHBondContact O-N 3.11Å; N409-R433 WeakPolarHBondContact ND2-CD 3.4Å; N409-R433 VanDerWaalsContact ND2-CZ 3.31Å; N409-R433 PolarHBondContact ND2-NE 3.03Å
410	V	91.1	Very high	89.2	Confident	29 Å²	29	56 Å²	56	18%	0.176	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-59.4	-31.7	-179.6	175.3	0	0	0	0	112.7	I386 F387 Y391 T392 I394 D412 L413	I386-V410 HydrophobicContact CG2-CG2 3.8Å; F387-V410 HydrophobicContact CD1-CG1 4.06Å; F387-V410 HydrophobicContact CE1-CG1 3.46Å; F387-V410 VanDerWaalsContact CE1-CG1 3.46Å; F387-V410 HydrophobicContact CZ-CG1 4.25Å; Y391-V410 WeakPolarHBondContact O-CG2 3.43Å; T392-V410 PolarHBondContact O-N 2.69Å; I394-V410 HydrophobicContact CD1-CG2 4.05Å; V410-D412 PolarHBondContact O-N 3.33Å; V410-L413 VanDerWaalsContact O-CB 3.28Å; V410-L413 WeakPolarHBondContact O-CB 3.39Å; V410-L413 PolarHBondContact O-N 3.35Å; V410-L413 VanDerWaalsContact O-N 3.1Å
411	K	90.1	Very high	88.9	Confident	147 Å²	147	57.4 Å²	57.4	64%	0.639	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-62.1	-22.2	174.4	73.6	-173	179.1	-176.8	0	114.4	N409 L413 A414	N409-K411 HydrophobicContact CB-CG 4Å; N409-K411 PolarHBondContact O-N 2.97Å; N409-K411 VanDerWaalsContact O-N 3.15Å; K411-L413 PolarHBondContact O-N 3.11Å; K411-A414 WeakPolarHBondContact O-CB 3.34Å; K411-A414 PolarHBondContact O-N 3.32Å
412	D	90.5	Very high	89	Confident	9 Å²	9	55.1 Å²	55.1	5%	0.048	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-76.8	-16.7	179.5	-58.8	-21.4	0	0	0	111.1	N409 V410 A414 V427 Y431 R433	N409-D412 WeakPolarHBondContact CB-OD2 3.06Å; N409-D412 PolarHBondContact N-OD2 3.3Å; N409-D412 VanDerWaalsContact O-CB 3.23Å; N409-D412 WeakPolarHBondContact O-CB 3.04Å; N409-D412 PolarHBondContact O-N 3.11Å; V410-D412 PolarHBondContact O-N 3.33Å; D412-A414 VanDerWaalsContact C-N 3.3Å; D412-V427 HydrophobicContact CB-CG1 4.3Å; D412-Y431 HydrophobicContact CB-CD2 3.75Å; D412-Y431 HydrophobicContact CB-CE2 3.53Å; D412-Y431 HydrophobicContact CB-CG 4.41Å; D412-R433 IonicContact OD1-CZ 3.83Å; D412-R433 IonicContact OD1-NE 2.66Å; D412-R433 IonicContact OD1-NH2 3.62Å; D412-R433 PolarHBondContact OD1-NH2 2.98Å; D412-R433 IonicContact OD2-CZ 2.73Å; D412-R433 VanDerWaalsContact OD2-CZ 3.24Å; D412-R433 IonicContact OD2-NE 3.18Å; D412-R433 PolarHBondContact OD2-NE 3.08Å; D412-R433 IonicContact OD2-NH2 3.44Å; D412-R433 PolarHBondContact OD2-NH2 2.87Å
413	L	89.7	Confident	89.1	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-81.5	-6	175.8	-53.7	173.1	0	0	0	113	L378 M383 I386 L408 V410 K411 F415 I416	L378-L413 HydrophobicContact CD1-CD2 3.67Å; L378-L413 HydrophobicContact CD2-CD2 3.86Å; L378-L413 HydrophobicContact CG-CD2 4.41Å; M383-L413 HydrophobicContact CE-CB 4.16Å; M383-L413 HydrophobicContact SD-CB 4.16Å; M383-L413 HydrophobicContact SD-CD1 3.86Å; M383-L413 HydrophobicContact SD-CD2 4.13Å; M383-L413 HydrophobicContact SD-CG 4.27Å; I386-L413 HydrophobicContact CD1-CD1 4.01Å; I386-L413 HydrophobicContact CG2-CD1 4Å; L408-L413 HydrophobicContact CD1-CD2 3.98Å; L408-L413 HydrophobicContact CD1-CG 4.5Å; L408-L413 HydrophobicContact CD2-CD1 4.44Å; L408-L413 HydrophobicContact CD2-CD2 4.18Å; L408-L413 HydrophobicContact CG-CD2 4.47Å; V410-L413 VanDerWaalsContact O-CB 3.28Å; V410-L413 WeakPolarHBondContact O-CB 3.39Å; V410-L413 PolarHBondContact O-N 3.35Å; V410-L413 VanDerWaalsContact O-N 3.1Å; K411-L413 PolarHBondContact O-N 3.11Å; L413-F415 VanDerWaalsContact C-N 3.28Å; L413-F415 PolarHBondContact O-N 2.88Å; L413-I416 HydrophobicContact CD2-CD1 3.9Å; L413-I416 WeakPolarHBondContact O-CB 3.39Å; L413-I416 PolarHBondContact O-N 3.35Å
414	A	87.5	Confident	89.1	Confident	43 Å²	43	49.7 Å²	49.7	36%	0.355	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.3	-170.3	0	0	0	0	0	114.4	K411 D412 P923	K411-A414 WeakPolarHBondContact O-CB 3.34Å; K411-A414 PolarHBondContact O-N 3.32Å; D412-A414 VanDerWaalsContact C-N 3.3Å; A414-P923 WeakPolarHBondContact O-CG 3.24Å
415	F	87.3	Confident	89.1	Confident	164 Å²	164	50 Å²	50	72%	0.719	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	14.7	178.4	-64.8	-77.2	0	0	0	113.2	L413	L413-F415 VanDerWaalsContact C-N 3.28Å; L413-F415 PolarHBondContact O-N 2.88Å
416	I	87.1	Confident	89.2	Confident	33 Å²	33	48.8 Å²	48.8	17%	0.169	26%	0.257	C	S	.	.			trans	-100.5	120.1	-175.3	-54.8	-172.7	0	0	0	110.6	L378 L413 V422 V427	L378-I416 HydrophobicContact CB-CG2 4.39Å; L378-I416 HydrophobicContact CD1-CD1 3.76Å; L378-I416 HydrophobicContact CD1-CG2 4.33Å; L413-I416 HydrophobicContact CD2-CD1 3.9Å; L413-I416 WeakPolarHBondContact O-CB 3.39Å; L413-I416 PolarHBondContact O-N 3.35Å; I416-V422 HydrophobicContact CG2-CB 4.3Å; I416-V422 HydrophobicContact CG2-CG2 4.23Å; I416-V427 HydrophobicContact CD1-CB 4.39Å; I416-V427 HydrophobicContact CD1-CG1 4.1Å; I416-V427 HydrophobicContact CD1-CG2 3.35Å
417	N	85.1	Confident	89.2	Confident	53 Å²	53	48.8 Å²	48.8	28%	0.283	26%	0.257	S	S	.	.			trans	-79.9	125.9	172.7	177.7	18.6	0	0	0	110.4	D419 D420 Q534	N417-D419 PolarHBondContact O-N 2.89Å; N417-D419 PolarHBondContact OD1-N 3.08Å; N417-D419 VanDerWaalsContact OD1-N 3.14Å; N417-D420 HydrophobicContact CB-CB 4.37Å; N417-D420 PolarHBondContact ND2-OD1 2.99Å; N417-D420 PolarHBondContact O-N 2.89Å; N417-Q534 PolarHBondContact OD1-NE2 3.11Å; N417-Q534 PolarHBondContact OD1-OE1 2.87Å
418	T	83.1	Confident	89.1	Confident	15 Å²	15	48.3 Å²	48.3	9%	0.092	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.7	177.3	64.1	0	0	0	0	113.2	F380 M383 D420 K421 Q534	F380-T418 HydrophobicContact CD2-CG2 4.38Å; M383-T418 HydrophobicContact CB-CG2 4.08Å; M383-T418 HydrophobicContact CE-CG2 4.26Å; M383-T418 HydrophobicContact CG-CG2 4.06Å; T418-D420 VanDerWaalsContact C-N 3.32Å; T418-K421 PolarHBondContact O-N 3.15Å; T418-Q534 PolarHBondContact OG1-NE2 2.9Å
419	D	79.3	Confident	89	Confident	71 Å²	71	52.8 Å²	52.8	38%	0.38	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-19.9	-176	-65.5	11.9	0	0	0	111	N417 K421 S532	N417-D419 PolarHBondContact O-N 2.89Å; N417-D419 PolarHBondContact OD1-N 3.08Å; N417-D419 VanDerWaalsContact OD1-N 3.14Å; D419-K421 VanDerWaalsContact C-N 3.35Å; D419-S532 WeakPolarHBondContact OD2-CB 3.45Å; D419-S532 PolarHBondContact OD2-OG 2.89Å
420	D	87.3	Confident	89	Confident	109 Å²	109	59.3 Å²	59.3	58%	0.583	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-20.1	173.8	-62.4	-3.3	0	0	0	112.6	N417 T418 V422	N417-D420 HydrophobicContact CB-CB 4.37Å; N417-D420 PolarHBondContact ND2-OD1 2.99Å; N417-D420 PolarHBondContact O-N 2.89Å; T418-D420 VanDerWaalsContact C-N 3.32Å; D420-V422 VanDerWaalsContact C-N 3.25Å; D420-V422 HydrophobicContact CB-CG2 3.94Å; D420-V422 PolarHBondContact O-N 2.84Å
421	K	85.7	Confident	88.9	Confident	118 Å²	118	62 Å²	62	51%	0.513	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	35.2	179	-56.3	-171.8	179.9	-166.4	0	114.9	N377 D379 T418 D419	N377-K421 PolarHBondContact ND2-O 2.97Å; D379-K421 HydrophobicContact CB-CD 4.3Å; D379-K421 HydrophobicContact CB-CG 4.05Å; T418-K421 PolarHBondContact O-N 3.15Å; D419-K421 VanDerWaalsContact C-N 3.35Å
422	V	91.1	Very high	88.7	Confident	36 Å²	36	61.3 Å²	61.3	22%	0.218	32%	0.317	C	S	.	.			trans	-50.1	130.1	180	-176.9	0	0	0	0	110.9	L378 I416 D420 T426 V427	L378-V422 VanDerWaalsContact CB-O 3.3Å; L378-V422 WeakPolarHBondContact CB-O 3.31Å; L378-V422 PolarHBondContact N-O 2.89Å; I416-V422 HydrophobicContact CG2-CB 4.3Å; I416-V422 HydrophobicContact CG2-CG2 4.23Å; D420-V422 VanDerWaalsContact C-N 3.25Å; D420-V422 HydrophobicContact CB-CG2 3.94Å; D420-V422 PolarHBondContact O-N 2.84Å; V422-T426 HydrophobicContact CG1-CG2 4.19Å; V422-V427 HydrophobicContact CG1-CG2 4.31Å
423	P	92.5	Very high	88.6	Confident	43 Å²	43	64.4 Å²	64.4	28%	0.279	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-71.1	142	177.5	30.5	-34.5	0	0	0	111.1	A376 S425 T426	A376-P423 CarbonylContact O-C 3.31Å; A376-P423 WeakPolarHBondContact O-CA 3.39Å; P423-S425 PolarHBondContact O-N 3.49Å; P423-S425 VanDerWaalsContact O-N 3.14Å; P423-T426 WeakPolarHBondContact O-CB 3.43Å; P423-T426 PolarHBondContact O-N 3.01Å
424	V	92.2	Very high	88.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-51.8	-39.3	-179	173.1	0	0	0	0	111.2	A376 L378 V396 T426 V427 C428	A376-V424 HydrophobicContact CB-CG2 4.06Å; A376-V424 WeakPolarHBondContact O-CG2 3.05Å; A376-V424 PolarHBondContact O-N 2.71Å; L378-V424 HydrophobicContact CD1-CG2 4.44Å; L378-V424 HydrophobicContact CD2-CG2 3.8Å; L378-V424 HydrophobicContact CG-CG2 3.83Å; V396-V424 HydrophobicContact CG1-CG1 3.78Å; V396-V424 HydrophobicContact CG2-CG1 3.97Å; V424-T426 VanDerWaalsContact C-N 3.27Å; V424-T426 PolarHBondContact O-N 2.73Å; V424-V427 WeakPolarHBondContact O-CB 3.14Å; V424-V427 PolarHBondContact O-N 3.39Å; V424-C428 PolarHBondContact O-N 3.19Å
425	S	91.9	Very high	88.4	Confident	23 Å²	23	68.3 Å²	68.3	16%	0.161	35%	0.348	C	S	.	.	H	α-helix	trans	-46.5	-44	173.3	57.3	0	0	0	0	114.5	Y374 P423 V427 C428 D429	Y374-S425 PolarHBondContact O-N 3.23Å; Y374-S425 PolarHBondContact OH-O 3.46Å; P423-S425 PolarHBondContact O-N 3.49Å; P423-S425 VanDerWaalsContact O-N 3.14Å; S425-V427 VanDerWaalsContact C-N 3.31Å; S425-V427 PolarHBondContact O-N 3.09Å; S425-C428 PolarHBondContact O-N 2.87Å; S425-D429 WeakPolarHBondContact O-CB 3.48Å; S425-D429 PolarHBondContact O-N 2.78Å
426	T	92	Very high	88.5	Confident	79 Å²	79	61.5 Å²	61.5	49%	0.485	32%	0.319	S	S	.	.	H	α-helix	trans	-68.3	-32.8	-177.6	-62.7	0	0	0	0	111.9	V422 P423 V424 F430	V422-T426 HydrophobicContact CG1-CG2 4.19Å; P423-T426 WeakPolarHBondContact O-CB 3.43Å; P423-T426 PolarHBondContact O-N 3.01Å; V424-T426 VanDerWaalsContact C-N 3.27Å; V424-T426 PolarHBondContact O-N 2.73Å; T426-F430 WeakPolarHBondContact O-CB 3.32Å; T426-F430 PolarHBondContact O-N 2.59Å
427	V	91.8	Very high	88.8	Confident	8 Å²	8	64 Å²	64	5%	0.048	33%	0.332	C	S	.	.	H	α-helix	trans	-74.2	-44.2	175.9	-170.8	0	0	0	0	110.3	L378 L408 D412 I416 V422 V424 S425 F430 Y431	L378-V427 HydrophobicContact CD1-CG2 3.55Å; L408-V427 HydrophobicContact CD1-CB 4.37Å; L408-V427 HydrophobicContact CD1-CG1 3.77Å; D412-V427 HydrophobicContact CB-CG1 4.3Å; I416-V427 HydrophobicContact CD1-CB 4.39Å; I416-V427 HydrophobicContact CD1-CG1 4.1Å; I416-V427 HydrophobicContact CD1-CG2 3.35Å; V422-V427 HydrophobicContact CG1-CG2 4.31Å; V424-V427 WeakPolarHBondContact O-CB 3.14Å; V424-V427 PolarHBondContact O-N 3.39Å; S425-V427 VanDerWaalsContact C-N 3.31Å; S425-V427 PolarHBondContact O-N 3.09Å; V427-F430 PolarHBondContact O-N 2.82Å; V427-Y431 HydrophobicContact CG1-CD2 3.83Å; V427-Y431 HydrophobicContact CG1-CE2 4.05Å; V427-Y431 WeakPolarHBondContact O-CD2 3.45Å; V427-Y431 PolarHBondContact O-N 2.82Å
428	C	90.6	Very high	89.1	Confident	8 Å²	8	62.2 Å²	62.2	5%	0.054	32%	0.323	C	S	.	.	H	α-helix	trans	-66.9	-45.4	179.9	-71	0	0	0	0	113	Y374 S406 V424 S425 F430 N432	Y374-C428 HydrophobicContact CE2-CB 4.19Å; S406-C428 VanDerWaalsContact OG-CB 3.27Å; S406-C428 WeakPolarHBondContact OG-CB 3.31Å; S406-C428 PolarHBondContact OG-SG 2.8Å; V424-C428 PolarHBondContact O-N 3.19Å; S425-C428 PolarHBondContact O-N 2.87Å; C428-F430 VanDerWaalsContact C-N 3.29Å; C428-F430 PolarHBondContact O-N 3.16Å; C428-N432 WeakPolarHBondContact O-CA 3.24Å; C428-N432 PolarHBondContact O-N 3.1Å
429	D	90.7	Very high	89.6	Confident	96 Å²	96	64.5 Å²	64.5	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-31.8	175.3	-75.1	-35.9	0	0	0	111.3	Y374 R405 S425	Y374-D429 PolarHBondContact OH-OD1 3.36Å; Y374-D429 PolarHBondContact OH-OD2 3.34Å; R405-D429 IonicContact NH2-OD1 2.91Å; R405-D429 PolarHBondContact NH2-OD1 2.95Å; R405-D429 VanDerWaalsContact NH2-OD1 3.1Å; R405-D429 IonicContact NH2-OD2 2.82Å; S425-D429 WeakPolarHBondContact O-CB 3.48Å; S425-D429 PolarHBondContact O-N 2.78Å
430	F	91.4	Very high	90.3	Very high	157 Å²	157	62 Å²	62	69%	0.689	32%	0.321	S	S	*	.	H	α-helix	trans	-72.4	-46.1	177.1	178.7	-96.1	0	0	0	113.4	T426 V427 C428	T426-F430 WeakPolarHBondContact O-CB 3.32Å; T426-F430 PolarHBondContact O-N 2.59Å; V427-F430 PolarHBondContact O-N 2.82Å; C428-F430 VanDerWaalsContact C-N 3.29Å; C428-F430 PolarHBondContact O-N 3.16Å
431	Y	89.3	Confident	90.6	Very high	85 Å²	85	61.4 Å²	61.4	33%	0.333	32%	0.321	S	S	.	.	H	α-helix	trans	-85.3	-18.3	-179.8	-75.9	-73.2	0	0	0	114.1	D412 V427 R433	D412-Y431 HydrophobicContact CB-CD2 3.75Å; D412-Y431 HydrophobicContact CB-CE2 3.53Å; D412-Y431 HydrophobicContact CB-CG 4.41Å; V427-Y431 HydrophobicContact CG1-CD2 3.83Å; V427-Y431 HydrophobicContact CG1-CE2 4.05Å; V427-Y431 WeakPolarHBondContact O-CD2 3.45Å; V427-Y431 PolarHBondContact O-N 2.82Å; Y431-R433 PolarHBondContact O-N 3.08Å
432	N	87.2	Confident	90.9	Very high	133 Å²	133	57.3 Å²	57.3	71%	0.711	31%	0.306	S	S	*	.			trans	35.4	61.9	174	-165.3	4.1	0	0	0	114.3	C428	C428-N432 WeakPolarHBondContact O-CA 3.24Å; C428-N432 PolarHBondContact O-N 3.1Å
433	R	88.1	Confident	91	Very high	75 Å²	75	59.2 Å²	59.2	28%	0.283	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-77.9	124.6	-172.5	-57.1	-159.6	168.5	-71.9	1.6	111.2	V407 N409 D412 Y431 I435	V407-R433 WeakPolarHBondContact O-CD 3.32Å; N409-R433 WeakPolarHBondContact ND2-CD 3.4Å; N409-R433 VanDerWaalsContact ND2-CZ 3.31Å; N409-R433 PolarHBondContact ND2-NE 3.03Å; D412-R433 IonicContact OD1-CZ 3.83Å; D412-R433 IonicContact OD1-NE 2.66Å; D412-R433 IonicContact OD1-NH2 3.62Å; D412-R433 PolarHBondContact OD1-NH2 2.98Å; D412-R433 IonicContact OD2-CZ 2.73Å; D412-R433 VanDerWaalsContact OD2-CZ 3.24Å; D412-R433 IonicContact OD2-NE 3.18Å; D412-R433 PolarHBondContact OD2-NE 3.08Å; D412-R433 IonicContact OD2-NH2 3.44Å; D412-R433 PolarHBondContact OD2-NH2 2.87Å; Y431-R433 PolarHBondContact O-N 3.08Å; R433-I435 PolarHBondContact O-N 3.01Å
434	S	84.1	Confident	91.1	Very high	73 Å²	73	57.2 Å²	57.2	51%	0.51	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-63.2	121.3	179.6	56.5	0	0	0	0	112.2
435	I	87.9	Confident	91.1	Very high	55 Å²	55	58.9 Å²	58.9	28%	0.282	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-76.6	141.3	169.7	-65.1	-179.9	0	0	0	109.7	I404 R433 I437 F460	I404-I435 HydrophobicContact CG2-CD1 4.29Å; R433-I435 PolarHBondContact O-N 3.01Å; I435-I437 HydrophobicContact CG2-CD1 4.39Å; I435-I437 HydrophobicContact CG2-CG1 3.75Å; I435-F460 HydrophobicContact CG2-CD2 3.71Å; I435-F460 HydrophobicContact CG2-CE2 4.13Å
436	I	90.5	Very high	91.1	Very high	21 Å²	21	61.6 Å²	61.6	11%	0.108	33%	0.33	C	S	.	.			trans	-105.9	130.5	162.8	-56.9	178.2	0	0	0	107.3	V438 R455 A456 A459 F460	I436-V438 HydrophobicContact CG2-CG1 4.03Å; I436-R455 HydrophobicContact CD1-CB 4.17Å; I436-A456 HydrophobicContact CD1-CB 3.84Å; I436-A456 HydrophobicContact CG1-CB 4.03Å; I436-A459 HydrophobicContact CB-CB 3.87Å; I436-A459 HydrophobicContact CG2-CB 3.87Å; I436-A459 CarbonylContact O-C 3.46Å; I436-A459 WeakPolarHBondContact O-CA 3.18Å; I436-F460 PolarHBondContact O-N 3.39Å
437	I	92.2	Very high	91.1	Very high	86 Å²	86	57.9 Å²	57.9	44%	0.441	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.7	172	-53.8	-180	0	0	0	107.5	I435 F460 E462 M476	I435-I437 HydrophobicContact CG2-CD1 4.39Å; I435-I437 HydrophobicContact CG2-CG1 3.75Å; I437-F460 WeakPolarHBondContact CA-O 3.5Å; I437-E462 HydrophobicContact CG2-CB 3.95Å; I437-E462 HydrophobicContact CG2-CG 3.94Å; I437-M476 HydrophobicContact CG2-SD 4.37Å
438	V	93.1	Very high	91.1	Very high	15 Å²	15	58.9 Å²	58.9	9%	0.091	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.9	180	-65.2	0	0	0	0	110.8	V359 I436 M447 A459 F460 V461 E462	V359-V438 HydrophobicContact CG1-CG2 4.27Å; I436-V438 HydrophobicContact CG2-CG1 4.03Å; V438-M447 HydrophobicContact CB-SD 4.2Å; V438-M447 HydrophobicContact CG1-CE 4.08Å; V438-M447 HydrophobicContact CG1-SD 3.71Å; V438-M447 HydrophobicContact CG2-SD 3.8Å; V438-A459 HydrophobicContact CG2-CB 4.37Å; V438-F460 PolarHBondContact N-O 3.14Å; V438-V461 HydrophobicContact CG2-CG2 4.46Å; V438-V461 WeakPolarHBondContact O-CA 3.22Å; V438-E462 PolarHBondContact O-N 3.17Å
439	L	93.8	Very high	91.2	Very high	64 Å²	64	64.3 Å²	64.3	34%	0.335	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	144.2	173.8	-67	165.8	0	0	0	110.5	T441 T442 E462 L464	L439-T441 PolarHBondContact O-N 2.96Å; L439-T442 PolarHBondContact N-OG1 3.18Å; L439-T442 WeakPolarHBondContact O-CB 3.33Å; L439-T442 PolarHBondContact O-N 3.33Å; L439-T442 PolarHBondContact O-OG1 3Å; L439-E462 CarbonylContact C-O 3.52Å; L439-E462 WeakPolarHBondContact CA-O 3.22Å; L439-E462 HydrophobicContact CD2-CG 3.78Å; L439-L464 HydrophobicContact CD2-CD1 3.49Å; L439-L464 VanDerWaalsContact CD2-CD1 3.49Å
440	D	93	Very high	91.2	Very high	18 Å²	18	61.7 Å²	61.7	10%	0.096	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-39	173.7	67.8	-18.5	0	0	0	113	V359 A360 T442 V461 E462 R463	V359-D440 PolarHBondContact N-O 2.79Å; A360-D440 HydrophobicContact CB-CB 4.11Å; A360-D440 PolarHBondContact N-O 2.83Å; A360-D440 VanDerWaalsContact N-O 3.09Å; D440-T442 PolarHBondContact O-N 3Å; D440-V461 VanDerWaalsContact CA-CG1 3.49Å; D440-V461 HydrophobicContact CB-CG1 3.73Å; D440-E462 PolarHBondContact N-O 2.9Å; D440-R463 IonicContact OD2-CZ 3.1Å; D440-R463 VanDerWaalsContact OD2-CZ 3.23Å; D440-R463 IonicContact OD2-NE 3.94Å; D440-R463 PolarHBondContact OD2-NE 3.16Å; D440-R463 IonicContact OD2-NH2 3.78Å; D440-R463 PolarHBondContact OD2-NH2 2.77Å
441	T	92.9	Very high	91.2	Very high	97 Å²	97	54.2 Å²	54.2	60%	0.595	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	1.6	173.5	47.7	0	0	0	0	115.9	L439 N443	L439-T441 PolarHBondContact O-N 2.96Å; T441-N443 PolarHBondContact O-N 3.45Å
442	T	92.9	Very high	91.2	Very high	31 Å²	31	59.7 Å²	59.7	19%	0.19	31%	0.307	C	S	.	.			trans	-71.2	126.3	178.9	-54.7	0	0	0	0	110.8	T358 V359 L439 D440 M446	T358-T442 CarbonylContact C-O 3.59Å; T358-T442 WeakPolarHBondContact CA-O 3.22Å; V359-T442 WeakPolarHBondContact CG2-O 3.16Å; V359-T442 PolarHBondContact N-O 3.01Å; L439-T442 PolarHBondContact N-OG1 3.18Å; L439-T442 WeakPolarHBondContact O-CB 3.33Å; L439-T442 PolarHBondContact O-N 3.33Å; L439-T442 PolarHBondContact O-OG1 3Å; D440-T442 PolarHBondContact O-N 3Å; T442-M446 HydrophobicContact CG2-CB 3.98Å
443	N	93.6	Very high	91.2	Very high	77 Å²	77	57.6 Å²	57.6	41%	0.412	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-64	141.2	174.8	-70.9	-6.1	0	0	0	112	K357 T441 G445 M446 M447	K357-N443 WeakPolarHBondContact O-CA 3.47Å; T441-N443 PolarHBondContact O-N 3.45Å; N443-G445 PolarHBondContact O-N 2.87Å; N443-M446 WeakPolarHBondContact O-CA 3.41Å; N443-M446 WeakPolarHBondContact O-CB 3.26Å; N443-M446 PolarHBondContact O-N 2.65Å; N443-M447 PolarHBondContact O-N 2.7Å; N443-M447 VanDerWaalsContact O-N 3.08Å
444	L	93.7	Very high	90.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-58.1	-34.1	179.4	-62.4	-178.3	0	0	0	113	L354 K357 T358 V359 V362 M446 M447 L448 V485 E488	L354-L444 HydrophobicContact CD1-CB 3.48Å; L354-L444 VanDerWaalsContact CD1-CB 3.48Å; L354-L444 HydrophobicContact CD1-CD1 4.24Å; L354-L444 HydrophobicContact CG-CB 4.16Å; K357-L444 HydrophobicContact CB-CD1 3.5Å; K357-L444 HydrophobicContact CB-CG 3.98Å; K357-L444 HydrophobicContact CD-CD1 4.26Å; K357-L444 PolarHBondContact O-N 2.81Å; T358-L444 WeakPolarHBondContact O-CD2 3.34Å; V359-L444 HydrophobicContact CG2-CD2 4.13Å; V362-L444 HydrophobicContact CB-CD2 4.32Å; V362-L444 HydrophobicContact CG2-CD1 3.63Å; V362-L444 HydrophobicContact CG2-CD2 3.82Å; V362-L444 HydrophobicContact CG2-CG 4.28Å; L444-M446 PolarHBondContact O-N 2.67Å; L444-M447 WeakPolarHBondContact O-CB 3.24Å; L444-M447 PolarHBondContact O-N 3.36Å; L444-L448 WeakPolarHBondContact O-CB 3.43Å; L444-L448 PolarHBondContact O-N 3.34Å; L444-V485 HydrophobicContact CD2-CG2 4.36Å; L444-E488 HydrophobicContact CD1-CB 4.48Å
445	G	92.3	Very high	90.3	Very high	34 Å²	34	60.9 Å²	60.9	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-62.4	-24.4	173.6	0	0	0	0	0	114.6	L354 N443	L354-G445 PolarHBondContact O-N 3.43Å; N443-G445 PolarHBondContact O-N 2.87Å
446	M	91.9	Very high	90.2	Very high	81 Å²	81	59.2 Å²	59.2	40%	0.399	31%	0.305	S	S	.	.	H	α-helix	trans	-82.3	-40.8	167.3	-106.8	-61.9	-60.5	0	0	111	T442 N443 L444 L448 K449 E450	T442-M446 HydrophobicContact CG2-CB 3.98Å; N443-M446 WeakPolarHBondContact O-CA 3.41Å; N443-M446 WeakPolarHBondContact O-CB 3.26Å; N443-M446 PolarHBondContact O-N 2.65Å; L444-M446 PolarHBondContact O-N 2.67Å; M446-L448 PolarHBondContact O-N 2.9Å; M446-K449 WeakPolarHBondContact O-CA 3.45Å; M446-K449 WeakPolarHBondContact O-CB 3.32Å; M446-K449 PolarHBondContact O-N 2.89Å; M446-K449 HydrophobicContact SD-CD 3.95Å; M446-E450 HydrophobicContact CE-CG 3.97Å; M446-E450 PolarHBondContact O-N 3.47Å
447	M	93	Very high	90.2	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-47	178.5	-163.9	63.2	-126.7	0	0	112.4	V359 V438 N443 L444 K449 E450 F451 A459 V480 V485	V359-M447 HydrophobicContact CG2-CB 3.84Å; V359-M447 HydrophobicContact CG2-CG 3.76Å; V359-M447 HydrophobicContact CG2-SD 3.89Å; V438-M447 HydrophobicContact CB-SD 4.2Å; V438-M447 HydrophobicContact CG1-CE 4.08Å; V438-M447 HydrophobicContact CG1-SD 3.71Å; V438-M447 HydrophobicContact CG2-SD 3.8Å; N443-M447 PolarHBondContact O-N 2.7Å; N443-M447 VanDerWaalsContact O-N 3.08Å; L444-M447 WeakPolarHBondContact O-CB 3.24Å; L444-M447 PolarHBondContact O-N 3.36Å; M447-K449 PolarHBondContact O-N 2.93Å; M447-E450 HydrophobicContact CE-CB 4.44Å; M447-E450 PolarHBondContact O-N 3.43Å; M447-E450 VanDerWaalsContact O-N 3.1Å; M447-F451 HydrophobicContact CE-CD1 3.8Å; M447-F451 HydrophobicContact CE-CD2 4.1Å; M447-F451 HydrophobicContact CE-CE1 3.45Å; M447-F451 VanDerWaalsContact CE-CE1 3.45Å; M447-F451 HydrophobicContact CE-CE2 3.76Å; M447-F451 HydrophobicContact CE-CG 4.13Å; M447-F451 HydrophobicContact CE-CZ 3.45Å; M447-F451 VanDerWaalsContact CE-CZ 3.45Å; M447-F451 HydrophobicContact CG-CD2 4.19Å; M447-F451 HydrophobicContact CG-CE2 3.8Å; M447-F451 HydrophobicContact CG-CZ 4.32Å; M447-F451 PolarHBondContact O-N 3.21Å; M447-A459 HydrophobicContact CE-CB 3.44Å; M447-A459 VanDerWaalsContact CE-CB 3.44Å; M447-A459 HydrophobicContact SD-CB 4.45Å; M447-V480 HydrophobicContact CE-CG1 4.44Å; M447-V480 HydrophobicContact CG-CG1 4.3Å; M447-V480 HydrophobicContact SD-CG1 4.16Å; M447-V485 HydrophobicContact CG-CG2 4.35Å
448	L	92.1	Very high	90.2	Very high	30 Å²	30	58.6 Å²	58.6	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-33.9	174.2	-177.5	64.3	0	0	0	112.2	L354 L444 M446 R452 L482 V485 I489	L354-L448 HydrophobicContact CD2-CD2 3.89Å; L444-L448 WeakPolarHBondContact O-CB 3.43Å; L444-L448 PolarHBondContact O-N 3.34Å; M446-L448 PolarHBondContact O-N 2.9Å; L448-R452 HydrophobicContact CD1-CG 4.37Å; L448-R452 VanDerWaalsContact O-CB 3.23Å; L448-R452 WeakPolarHBondContact O-CB 3.49Å; L448-R452 WeakPolarHBondContact O-CG 3.47Å; L448-R452 PolarHBondContact O-N 3.47Å; L448-L482 HydrophobicContact CD1-CD1 3.91Å; L448-V485 HydrophobicContact CB-CG1 4.01Å; L448-V485 HydrophobicContact CD1-CG1 4.23Å; L448-I489 HydrophobicContact CD2-CD1 3.92Å
449	K	91.3	Very high	90.2	Very high	122 Å²	122	57.9 Å²	57.9	53%	0.53	30%	0.295	S	S	.	.	H	α-helix	trans	-72.5	-33.2	177	-177.1	-167.1	163.8	-147.7	0	112	M446 M447 Q453	M446-K449 WeakPolarHBondContact O-CA 3.45Å; M446-K449 WeakPolarHBondContact O-CB 3.32Å; M446-K449 PolarHBondContact O-N 2.89Å; M446-K449 HydrophobicContact SD-CD 3.95Å; M447-K449 PolarHBondContact O-N 2.93Å; K449-Q453 WeakPolarHBondContact O-CG 3.23Å; K449-Q453 PolarHBondContact O-NE2 2.98Å; K449-Q453 VanDerWaalsContact O-NE2 3.08Å
450	E	90.5	Very high	90.3	Very high	40 Å²	40	54.8 Å²	54.8	19%	0.187	28%	0.28	C	S	.	.	H	α-helix	trans	-72.4	-46.6	173.2	-67.1	-52.6	122.6	0	0	111.7	M446 M447 R452 Q453	M446-E450 HydrophobicContact CE-CG 3.97Å; M446-E450 PolarHBondContact O-N 3.47Å; M447-E450 HydrophobicContact CE-CB 4.44Å; M447-E450 PolarHBondContact O-N 3.43Å; M447-E450 VanDerWaalsContact O-N 3.1Å; E450-R452 VanDerWaalsContact C-N 3.31Å; E450-R452 PolarHBondContact O-N 3.24Å; E450-Q453 WeakPolarHBondContact O-CB 3.47Å; E450-Q453 PolarHBondContact O-N 3.18Å; E450-Q453 PolarHBondContact OE1-NE2 2.9Å; E450-Q453 PolarHBondContact OE2-NE2 3.43Å; E450-Q453 VanDerWaalsContact OE2-NE2 3.16Å
451	F	92.5	Very high	90.4	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-40.5	173.9	-70.5	-38.1	0	0	0	112.7	M447 Q453 G454 A456 A459 V480 T481 L482 V485	M447-F451 HydrophobicContact CE-CD1 3.8Å; M447-F451 HydrophobicContact CE-CD2 4.1Å; M447-F451 HydrophobicContact CE-CE1 3.45Å; M447-F451 VanDerWaalsContact CE-CE1 3.45Å; M447-F451 HydrophobicContact CE-CE2 3.76Å; M447-F451 HydrophobicContact CE-CG 4.13Å; M447-F451 HydrophobicContact CE-CZ 3.45Å; M447-F451 VanDerWaalsContact CE-CZ 3.45Å; M447-F451 HydrophobicContact CG-CD2 4.19Å; M447-F451 HydrophobicContact CG-CE2 3.8Å; M447-F451 HydrophobicContact CG-CZ 4.32Å; M447-F451 PolarHBondContact O-N 3.21Å; F451-Q453 PolarHBondContact O-N 2.93Å; F451-Q453 VanDerWaalsContact O-N 3.11Å; F451-G454 PolarHBondContact O-N 3.47Å; F451-A456 WeakPolarHBondContact CD1-O 3.17Å; F451-A459 HydrophobicContact CE1-CB 3.92Å; F451-A459 HydrophobicContact CZ-CB 4.19Å; F451-V480 HydrophobicContact CZ-CG1 4.17Å; F451-V480 WeakPolarHBondContact CZ-O 3.37Å; F451-T481 WeakPolarHBondContact CE2-O 3.28Å; F451-T481 VanDerWaalsContact CZ-C 3.45Å; F451-L482 HydrophobicContact CB-CB 4.38Å; F451-L482 HydrophobicContact CB-CD1 3.87Å; F451-L482 HydrophobicContact CB-CG 4.5Å; F451-L482 HydrophobicContact CD2-CB 3.96Å; F451-L482 HydrophobicContact CD2-CD1 3.98Å; F451-L482 HydrophobicContact CE2-CB 4.34Å; F451-L482 HydrophobicContact CG-CB 4.14Å; F451-L482 HydrophobicContact CG-CD1 4.28Å; F451-V485 HydrophobicContact CD2-CG2 4.47Å; F451-V485 HydrophobicContact CE2-CG2 3.97Å
452	R	88.6	Confident	90.4	Very high	200 Å²	200	50.1 Å²	50.1	76%	0.755	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-8.1	175.9	-76.6	177.9	63.7	-170.8	-0.7	115	L448 E450	L448-R452 HydrophobicContact CD1-CG 4.37Å; L448-R452 VanDerWaalsContact O-CB 3.23Å; L448-R452 WeakPolarHBondContact O-CB 3.49Å; L448-R452 WeakPolarHBondContact O-CG 3.47Å; L448-R452 PolarHBondContact O-N 3.47Å; E450-R452 VanDerWaalsContact C-N 3.31Å; E450-R452 PolarHBondContact O-N 3.24Å
453	Q	88.2	Confident	90.4	Very high	89 Å²	89	53.6 Å²	53.6	42%	0.416	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.6	168	-70.2	166.6	67.3	0	0	112.9	K449 E450 F451 R455	K449-Q453 WeakPolarHBondContact O-CG 3.23Å; K449-Q453 PolarHBondContact O-NE2 2.98Å; K449-Q453 VanDerWaalsContact O-NE2 3.08Å; E450-Q453 WeakPolarHBondContact O-CB 3.47Å; E450-Q453 PolarHBondContact O-N 3.18Å; E450-Q453 PolarHBondContact OE1-NE2 2.9Å; E450-Q453 PolarHBondContact OE2-NE2 3.43Å; E450-Q453 VanDerWaalsContact OE2-NE2 3.16Å; F451-Q453 PolarHBondContact O-N 2.93Å; F451-Q453 VanDerWaalsContact O-N 3.11Å; Q453-R455 VanDerWaalsContact C-N 3.3Å; Q453-R455 PolarHBondContact O-N 3.24Å
454	G	74.9	Confident	90.2	Very high	54 Å²	54	53.6 Å²	53.6	56%	0.557	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	14.4	168.9	0	0	0	0	0	115.5	F451	F451-G454 PolarHBondContact O-N 3.47Å
455	R	77.6	Confident	89.8	Confident	163 Å²	163	54.7 Å²	54.7	62%	0.615	27%	0.266	S	S	*	.	S	Bend	trans	-74.1	-47.3	178.7	-67.7	179.1	177.5	171.7	-0.1	112.2	I436 Q453	I436-R455 HydrophobicContact CD1-CB 4.17Å; Q453-R455 VanDerWaalsContact C-N 3.3Å; Q453-R455 PolarHBondContact O-N 3.24Å
456	A	85.5	Confident	89.5	Confident	20 Å²	20	58 Å²	58	17%	0.165	28%	0.28	C	S	.	.			trans	-151.5	158.8	172.4	0	0	0	0	0	109.1	I436 F451 M458	I436-A456 HydrophobicContact CD1-CB 3.84Å; I436-A456 HydrophobicContact CG1-CB 4.03Å; F451-A456 WeakPolarHBondContact CD1-O 3.17Å; A456-M458 WeakPolarHBondContact CB-O 3.27Å
457	H	90.2	Very high	88.7	Confident	78 Å²	78	62.6 Å²	62.6	36%	0.361	30%	0.3	S	S	.	.	S	Bend	trans	-108.5	15.1	172.3	-64.7	-165.3	0	0	0	111.4	T481 L482	H457-T481 CarbonylContact O-C 3.32Å; H457-T481 VanDerWaalsContact O-CA 3.29Å; H457-T481 WeakPolarHBondContact O-CA 3.46Å; H457-T481 WeakPolarHBondContact O-CB 3.49Å; H457-L482 HydrophobicContact CB-CB 4.04Å; H457-L482 PolarHBondContact O-N 3.15Å
458	M	92.9	Very high	87.9	Confident	15 Å²	15	65.3 Å²	65.3	7%	0.074	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.8	176.2	173.9	-178.1	-84.9	0	0	106.5	R393 P395 V407 A456 F460 L479 V480 T481	R393-M458 HydrophobicContact CB-CE 3.95Å; R393-M458 HydrophobicContact CB-SD 4.37Å; P395-M458 HydrophobicContact CG-SD 4.19Å; V407-M458 HydrophobicContact CG1-SD 4.19Å; V407-M458 HydrophobicContact CG2-SD 4.35Å; A456-M458 WeakPolarHBondContact CB-O 3.27Å; M458-F460 HydrophobicContact CG-CE2 4.41Å; M458-F460 HydrophobicContact CG-CZ 4.24Å; M458-F460 HydrophobicContact SD-CE1 4.44Å; M458-F460 HydrophobicContact SD-CE2 4.46Å; M458-F460 HydrophobicContact SD-CZ 3.84Å; M458-L479 HydrophobicContact CE-CD1 4.23Å; M458-L479 HydrophobicContact CE-CD2 4.15Å; M458-L479 HydrophobicContact SD-CD2 4.43Å; M458-V480 WeakPolarHBondContact CA-O 3.19Å; M458-T481 HydrophobicContact CE-CG2 4.4Å
459	A	93.8	Very high	87.2	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.2	175.1	0	0	0	0	0	109.3	I436 V438 M447 F451 L479 V480	I436-A459 HydrophobicContact CB-CB 3.87Å; I436-A459 HydrophobicContact CG2-CB 3.87Å; I436-A459 CarbonylContact O-C 3.46Å; I436-A459 WeakPolarHBondContact O-CA 3.18Å; V438-A459 HydrophobicContact CG2-CB 4.37Å; M447-A459 HydrophobicContact CE-CB 3.44Å; M447-A459 VanDerWaalsContact CE-CB 3.44Å; M447-A459 HydrophobicContact SD-CB 4.45Å; F451-A459 HydrophobicContact CE1-CB 3.92Å; F451-A459 HydrophobicContact CZ-CB 4.19Å; A459-L479 CarbonylContact O-C 3.47Å; A459-L479 VanDerWaalsContact O-CA 3.31Å; A459-L479 WeakPolarHBondContact O-CA 3.14Å; A459-L479 WeakPolarHBondContact O-CB 3.25Å; A459-V480 HydrophobicContact CB-CG1 4.16Å; A459-V480 PolarHBondContact N-O 3.47Å; A459-V480 PolarHBondContact O-N 3.37Å
460	F	94.6	Very high	86.5	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	144.9	179.2	-61	-85.9	0	0	0	110.5	P395 I404 V407 I435 I436 I437 V438 M458 M476 L479	P395-F460 HydrophobicContact CB-CE1 3.77Å; P395-F460 HydrophobicContact CB-CZ 3.84Å; P395-F460 HydrophobicContact CG-CE1 3.63Å; P395-F460 HydrophobicContact CG-CZ 3.81Å; I404-F460 HydrophobicContact CD1-CD1 3.33Å; I404-F460 HydrophobicContact CD1-CE1 3.49Å; I404-F460 VanDerWaalsContact CD1-CE1 3.49Å; I404-F460 HydrophobicContact CD1-CG 4.09Å; I404-F460 HydrophobicContact CD1-CZ 4.35Å; I404-F460 HydrophobicContact CG2-CE1 4.13Å; I404-F460 HydrophobicContact CG2-CE2 4.25Å; I404-F460 HydrophobicContact CG2-CZ 3.96Å; V407-F460 HydrophobicContact CG2-CE2 3.7Å; V407-F460 HydrophobicContact CG2-CZ 3.79Å; I435-F460 HydrophobicContact CG2-CD2 3.71Å; I435-F460 HydrophobicContact CG2-CE2 4.13Å; I436-F460 PolarHBondContact O-N 3.39Å; I437-F460 WeakPolarHBondContact CA-O 3.5Å; V438-F460 PolarHBondContact N-O 3.14Å; M458-F460 HydrophobicContact CG-CE2 4.41Å; M458-F460 HydrophobicContact CG-CZ 4.24Å; M458-F460 HydrophobicContact SD-CE1 4.44Å; M458-F460 HydrophobicContact SD-CE2 4.46Å; M458-F460 HydrophobicContact SD-CZ 3.84Å; F460-M476 HydrophobicContact CB-CE 3.48Å; F460-M476 VanDerWaalsContact CB-CE 3.48Å; F460-M476 HydrophobicContact CB-SD 4.33Å; F460-M476 HydrophobicContact CD1-CE 4.48Å; F460-M476 HydrophobicContact CG-CE 4.06Å; F460-L479 HydrophobicContact CD1-CB 3.78Å; F460-L479 HydrophobicContact CE1-CB 3.95Å; F460-L479 HydrophobicContact CE1-CD2 4.03Å
461	V	94.9	Very high	86.2	Confident	0 Å²	0	77 Å²	77	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.1	-168.8	-168	0	0	0	0	109.1	V359 M363 V438 D440 I477 G478 V480	V359-V461 HydrophobicContact CG1-CB 4.34Å; V359-V461 HydrophobicContact CG1-CG1 3.88Å; V359-V461 HydrophobicContact CG1-CG2 3.45Å; V359-V461 VanDerWaalsContact CG1-CG2 3.45Å; M363-V461 HydrophobicContact CB-CG2 3.94Å; M363-V461 HydrophobicContact SD-CB 4.13Å; M363-V461 HydrophobicContact SD-CG1 3.81Å; M363-V461 HydrophobicContact SD-CG2 4.4Å; V438-V461 HydrophobicContact CG2-CG2 4.46Å; V438-V461 WeakPolarHBondContact O-CA 3.22Å; D440-V461 VanDerWaalsContact CA-CG1 3.49Å; D440-V461 HydrophobicContact CB-CG1 3.73Å; V461-I477 PolarHBondContact O-N 2.86Å; V461-G478 PolarHBondContact N-O 3.31Å; V461-V480 HydrophobicContact CG2-CB 4.44Å; V461-V480 HydrophobicContact CG2-CG1 4.17Å
462	E	93.7	Very high	85.8	Confident	17 Å²	17	80.8 Å²	80.8	8%	0.079	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	150	175	81.7	-174.7	162.3	0	0	111	I437 V438 L439 D440 R474 E475 M476	I437-E462 HydrophobicContact CG2-CB 3.95Å; I437-E462 HydrophobicContact CG2-CG 3.94Å; V438-E462 PolarHBondContact O-N 3.17Å; L439-E462 CarbonylContact C-O 3.52Å; L439-E462 WeakPolarHBondContact CA-O 3.22Å; L439-E462 HydrophobicContact CD2-CG 3.78Å; D440-E462 PolarHBondContact N-O 2.9Å; E462-R474 IonicContact OE1-CZ 3.65Å; E462-R474 IonicContact OE1-NH1 2.85Å; E462-R474 PolarHBondContact OE1-NH1 3.26Å; E462-R474 IonicContact OE1-NH2 2.73Å; E462-R474 VanDerWaalsContact OE2-CD 3.26Å; E462-R474 WeakPolarHBondContact OE2-CD 3.33Å; E462-R474 WeakPolarHBondContact OE2-CG 3.28Å; E462-R474 IonicContact OE2-CZ 3.78Å; E462-R474 IonicContact OE2-NE 2.66Å; E462-R474 IonicContact OE2-NH1 2.78Å; E462-R474 PolarHBondContact OE2-NH1 3.07Å; E462-E475 CarbonylContact C-O 3.59Å; E462-E475 VanDerWaalsContact CA-O 3.25Å; E462-E475 WeakPolarHBondContact CA-O 3.29Å; E462-M476 HydrophobicContact CB-SD 4.15Å
463	R	92.7	Very high	85.8	Confident	104 Å²	104	77.2 Å²	77.2	39%	0.392	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139	166.1	170.7	176.2	-65.8	153	6.3	109.2	D440 V465 R474 E475 I477	D440-R463 IonicContact OD2-CZ 3.1Å; D440-R463 VanDerWaalsContact OD2-CZ 3.23Å; D440-R463 IonicContact OD2-NE 3.94Å; D440-R463 PolarHBondContact OD2-NE 3.16Å; D440-R463 IonicContact OD2-NH2 3.78Å; D440-R463 PolarHBondContact OD2-NH2 2.77Å; R463-V465 PolarHBondContact O-N 3.44Å; R463-R474 WeakPolarHBondContact O-CA 3.45Å; R463-E475 PolarHBondContact N-O 3.49Å; R463-E475 PolarHBondContact O-N 3.29Å; R463-I477 HydrophobicContact CB-CD1 3.42Å; R463-I477 VanDerWaalsContact CB-CD1 3.42Å; R463-I477 HydrophobicContact CB-CG1 4.24Å; R463-I477 HydrophobicContact CG-CD1 4.28Å
464	L	89.1	Confident	85.7	Confident	76 Å²	76	80.3 Å²	80.3	40%	0.398	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.6	163.1	-90.5	77	0	0	0	108.8	L439 T466 Y473 R474	L439-L464 HydrophobicContact CD2-CD1 3.49Å; L439-L464 VanDerWaalsContact CD2-CD1 3.49Å; L464-T466 HydrophobicContact CB-CG2 4.46Å; L464-T466 PolarHBondContact O-N 2.78Å; L464-Y473 WeakPolarHBondContact CA-O 3.2Å; L464-R474 HydrophobicContact CD1-CG 4.15Å; L464-R474 HydrophobicContact CG-CG 4.43Å
465	V	86.6	Confident	86.4	Confident	25 Å²	25	80.8 Å²	80.8	15%	0.152	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	105.4	169.7	-176.9	0	0	0	0	107.6	R463 P472 Y473 E475	R463-V465 PolarHBondContact O-N 3.44Å; V465-P472 WeakPolarHBondContact O-CA 3.23Å; V465-Y473 HydrophobicContact CB-CD1 4.31Å; V465-Y473 HydrophobicContact CB-CD2 4.37Å; V465-Y473 HydrophobicContact CB-CE1 3.87Å; V465-Y473 HydrophobicContact CB-CE2 3.95Å; V465-Y473 HydrophobicContact CG1-CE1 3.85Å; V465-Y473 HydrophobicContact CG1-CE2 4.44Å; V465-Y473 HydrophobicContact CG2-CE2 3.97Å; V465-Y473 PolarHBondContact N-O 3.3Å; V465-Y473 PolarHBondContact O-N 3.29Å; V465-E475 HydrophobicContact CG2-CB 4.05Å
466	T	84.4	Confident	87.1	Confident	104 Å²	104	74.2 Å²	74.2	64%	0.638	39%	0.389	S	S	*	.			trans	-98.6	5.8	177.9	58.3	0	0	0	0	113.1	L464 P472	L464-T466 HydrophobicContact CB-CG2 4.46Å; L464-T466 PolarHBondContact O-N 2.78Å; T466-P472 HydrophobicContact CG2-CB 4.04Å
467	E	76.6	Confident	87.5	Confident	177 Å²	177	74.9 Å²	74.9	83%	0.827	39%	0.39	S	S	*	.			trans	-99.4	97.4	-175	-63.2	-170.5	169.3	0	0	110.9
468	G	76	Confident	87.6	Confident	57 Å²	57	71.2 Å²	71.2	59%	0.588	37%	0.373	S	S	*	.	S	Bend	trans	160.2	169.7	174.6	0	0	0	0	0	113.1	C470	G468-C470 PolarHBondContact O-N 2.96Å; G468-C470 VanDerWaalsContact O-N 3.1Å
469	D	76.2	Confident	87.7	Confident	181 Å²	181	71 Å²	71	97%	0.968	37%	0.372	S	S	*	.	S	Bend	trans	-79	25.6	175.4	-64.4	-48.1	0	0	0	113
470	C	76.1	Confident	87.7	Confident	105 Å²	105	71 Å²	71	71%	0.709	37%	0.372	S	S	*	.	S	Bend	trans	-129.7	161.4	-173.1	-70.6	0	0	0	0	110.9	G468	G468-C470 PolarHBondContact O-N 2.96Å; G468-C470 VanDerWaalsContact O-N 3.1Å
471	D	85	Confident	87.6	Confident	150 Å²	150	71.6 Å²	71.6	80%	0.802	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-57.8	141.4	173.7	-71.9	-47.8	0	0	0	111.1	Y473	D471-Y473 PolarHBondContact O-N 2.81Å
472	P	85	Confident	87.5	Confident	81 Å²	81	73 Å²	73	53%	0.526	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-66.7	119.5	-173.8	26.8	-35.1	0	0	0	111.3	V465 T466	V465-P472 WeakPolarHBondContact O-CA 3.23Å; T466-P472 HydrophobicContact CG2-CB 4.04Å
473	Y	87.3	Confident	87.3	Confident	125 Å²	125	75.9 Å²	75.9	49%	0.49	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	167.7	-179.3	64.4	-83.8	0	0	0	111.7	L464 V465 D471 E475	L464-Y473 WeakPolarHBondContact CA-O 3.2Å; V465-Y473 HydrophobicContact CB-CD1 4.31Å; V465-Y473 HydrophobicContact CB-CD2 4.37Å; V465-Y473 HydrophobicContact CB-CE1 3.87Å; V465-Y473 HydrophobicContact CB-CE2 3.95Å; V465-Y473 HydrophobicContact CG1-CE1 3.85Å; V465-Y473 HydrophobicContact CG1-CE2 4.44Å; V465-Y473 HydrophobicContact CG2-CE2 3.97Å; V465-Y473 PolarHBondContact N-O 3.3Å; V465-Y473 PolarHBondContact O-N 3.29Å; D471-Y473 PolarHBondContact O-N 2.81Å; Y473-E475 HydrophobicContact CE2-CB 4.38Å
474	R	87.1	Confident	87.2	Confident	154 Å²	154	71.7 Å²	71.7	58%	0.581	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.6	178.1	-69.9	151.4	171.9	-106.6	-7.6	108.6	E462 R463 L464	E462-R474 IonicContact OE1-CZ 3.65Å; E462-R474 IonicContact OE1-NH1 2.85Å; E462-R474 PolarHBondContact OE1-NH1 3.26Å; E462-R474 IonicContact OE1-NH2 2.73Å; E462-R474 VanDerWaalsContact OE2-CD 3.26Å; E462-R474 WeakPolarHBondContact OE2-CD 3.33Å; E462-R474 WeakPolarHBondContact OE2-CG 3.28Å; E462-R474 IonicContact OE2-CZ 3.78Å; E462-R474 IonicContact OE2-NE 2.66Å; E462-R474 IonicContact OE2-NH1 2.78Å; E462-R474 PolarHBondContact OE2-NH1 3.07Å; R463-R474 WeakPolarHBondContact O-CA 3.45Å; L464-R474 HydrophobicContact CD1-CG 4.15Å; L464-R474 HydrophobicContact CG-CG 4.43Å
475	E	89.9	Confident	87.3	Confident	64 Å²	64	68.1 Å²	68.1	30%	0.299	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138	173.6	-179.6	168.2	-134.9	0	0	110	Q402 E462 R463 V465 Y473	Q402-E475 PolarHBondContact NE2-OE1 3.03Å; E462-E475 CarbonylContact C-O 3.59Å; E462-E475 VanDerWaalsContact CA-O 3.25Å; E462-E475 WeakPolarHBondContact CA-O 3.29Å; R463-E475 PolarHBondContact N-O 3.49Å; R463-E475 PolarHBondContact O-N 3.29Å; V465-E475 HydrophobicContact CG2-CB 4.05Å; Y473-E475 HydrophobicContact CE2-CB 4.38Å
476	M	92.6	Very high	87.5	Confident	25 Å²	25	69.8 Å²	69.8	12%	0.123	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110	-179.7	-66.8	-82.7	-82.6	0	0	109.3	L366 Q402 I404 I437 F460 E462	L366-M476 HydrophobicContact CD2-CB 4.5Å; L366-M476 WeakPolarHBondContact CD2-O 3.07Å; Q402-M476 HydrophobicContact CB-CB 4.43Å; Q402-M476 WeakPolarHBondContact O-CG 3.36Å; I404-M476 HydrophobicContact CB-CE 4.19Å; I404-M476 HydrophobicContact CD1-CE 3.88Å; I404-M476 HydrophobicContact CG1-CE 4.12Å; I437-M476 HydrophobicContact CG2-SD 4.37Å; F460-M476 HydrophobicContact CB-CE 3.48Å; F460-M476 VanDerWaalsContact CB-CE 3.48Å; F460-M476 HydrophobicContact CB-SD 4.33Å; F460-M476 HydrophobicContact CD1-CE 4.48Å; F460-M476 HydrophobicContact CG-CE 4.06Å; E462-M476 HydrophobicContact CB-SD 4.15Å
477	I	92.4	Very high	87.8	Confident	35 Å²	35	66 Å²	66	18%	0.179	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-32.6	-172.3	-63.5	175.4	0	0	0	112.3	M363 L366 V461 R463	M363-I477 HydrophobicContact CE-CG2 3.64Å; M363-I477 HydrophobicContact SD-CB 4.45Å; M363-I477 HydrophobicContact SD-CG2 3.89Å; L366-I477 WeakPolarHBondContact CB-O 3.4Å; L366-I477 PolarHBondContact N-O 3.1Å; V461-I477 PolarHBondContact O-N 2.86Å; R463-I477 HydrophobicContact CB-CD1 3.42Å; R463-I477 VanDerWaalsContact CB-CD1 3.42Å; R463-I477 HydrophobicContact CB-CG1 4.24Å; R463-I477 HydrophobicContact CG-CD1 4.28Å
478	G	93.3	Very high	88.4	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.7	-163.4	-169.6	0	0	0	0	0	113.6	T364 V461	T364-G478 CarbonylContact O-C 3.59Å; T364-G478 WeakPolarHBondContact O-CA 3.37Å; V461-G478 PolarHBondContact N-O 3.31Å
479	L	94.1	Very high	89.2	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.052	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	160	176.5	64.2	82.3	0	0	0	111.1	M363 T364 A369 P395 M458 A459 F460 T481	M363-L479 CarbonylContact C-O 3.41Å; M363-L479 WeakPolarHBondContact CA-O 3.12Å; T364-L479 PolarHBondContact N-O 3.18Å; T364-L479 PolarHBondContact O-N 2.84Å; A369-L479 HydrophobicContact CB-CD2 3.84Å; A369-L479 HydrophobicContact CB-CG 4.48Å; P395-L479 HydrophobicContact CG-CD2 3.69Å; M458-L479 HydrophobicContact CE-CD1 4.23Å; M458-L479 HydrophobicContact CE-CD2 4.15Å; M458-L479 HydrophobicContact SD-CD2 4.43Å; A459-L479 CarbonylContact O-C 3.47Å; A459-L479 VanDerWaalsContact O-CA 3.31Å; A459-L479 WeakPolarHBondContact O-CA 3.14Å; A459-L479 WeakPolarHBondContact O-CB 3.25Å; F460-L479 HydrophobicContact CD1-CB 3.78Å; F460-L479 HydrophobicContact CE1-CB 3.95Å; F460-L479 HydrophobicContact CE1-CD2 4.03Å; L479-T481 HydrophobicContact CD1-CG2 4.08Å
480	V	93.8	Very high	89.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.7	172.6	62.2	0	0	0	0	108.4	V359 M447 F451 M458 A459 V461 D484 V485	V359-V480 HydrophobicContact CG1-CB 4.14Å; V359-V480 HydrophobicContact CG1-CG1 3.79Å; M447-V480 HydrophobicContact CE-CG1 4.44Å; M447-V480 HydrophobicContact CG-CG1 4.3Å; M447-V480 HydrophobicContact SD-CG1 4.16Å; F451-V480 HydrophobicContact CZ-CG1 4.17Å; F451-V480 WeakPolarHBondContact CZ-O 3.37Å; M458-V480 WeakPolarHBondContact CA-O 3.19Å; A459-V480 HydrophobicContact CB-CG1 4.16Å; A459-V480 PolarHBondContact N-O 3.47Å; A459-V480 PolarHBondContact O-N 3.37Å; V461-V480 HydrophobicContact CG2-CB 4.44Å; V461-V480 HydrophobicContact CG2-CG1 4.17Å; V480-D484 WeakPolarHBondContact CA-OD2 3.44Å; V480-D484 WeakPolarHBondContact CG2-OD2 3.43Å; V480-V485 HydrophobicContact CG2-CG2 3.87Å
481	T	92.7	Very high	90.3	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.08	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	167.6	176.9	96.8	0	0	0	0	111.6	F451 H457 M458 L479 E483 D484 V485	F451-T481 WeakPolarHBondContact CE2-O 3.28Å; F451-T481 VanDerWaalsContact CZ-C 3.45Å; H457-T481 CarbonylContact O-C 3.32Å; H457-T481 VanDerWaalsContact O-CA 3.29Å; H457-T481 WeakPolarHBondContact O-CA 3.46Å; H457-T481 WeakPolarHBondContact O-CB 3.49Å; M458-T481 HydrophobicContact CE-CG2 4.4Å; L479-T481 HydrophobicContact CD1-CG2 4.08Å; T481-E483 PolarHBondContact O-N 3.36Å; T481-E483 WeakPolarHBondContact OG1-CB 3.41Å; T481-E483 PolarHBondContact OG1-N 3.23Å; T481-D484 VanDerWaalsContact CB-OD1 3.3Å; T481-D484 WeakPolarHBondContact CB-OD1 3.35Å; T481-D484 WeakPolarHBondContact CG2-OD1 3.19Å; T481-D484 PolarHBondContact N-OD2 3.1Å; T481-D484 PolarHBondContact OG1-N 3.43Å; T481-D484 PolarHBondContact OG1-OD1 3.27Å; T481-V485 WeakPolarHBondContact O-CG2 3.34Å
482	L	92.3	Very high	90.3	Very high	28 Å²	28	46.9 Å²	46.9	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-67.1	-25.9	171.9	176.9	58.9	0	0	0	112	L448 F451 H457 I486	L448-L482 HydrophobicContact CD1-CD1 3.91Å; F451-L482 HydrophobicContact CB-CB 4.38Å; F451-L482 HydrophobicContact CB-CD1 3.87Å; F451-L482 HydrophobicContact CB-CG 4.5Å; F451-L482 HydrophobicContact CD2-CB 3.96Å; F451-L482 HydrophobicContact CD2-CD1 3.98Å; F451-L482 HydrophobicContact CE2-CB 4.34Å; F451-L482 HydrophobicContact CG-CB 4.14Å; F451-L482 HydrophobicContact CG-CD1 4.28Å; H457-L482 HydrophobicContact CB-CB 4.04Å; H457-L482 PolarHBondContact O-N 3.15Å; L482-I486 HydrophobicContact CD1-CD1 3.99Å; L482-I486 HydrophobicContact CD1-CG1 4.3Å; L482-I486 HydrophobicContact CG-CD1 3.95Å; L482-I486 WeakPolarHBondContact O-CD1 3.47Å; L482-I486 VanDerWaalsContact O-CG1 3.28Å; L482-I486 WeakPolarHBondContact O-CG1 3.42Å; L482-I486 PolarHBondContact O-N 3.48Å
483	E	90.1	Very high	90.1	Very high	78 Å²	78	47 Å²	47	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-67.6	-52	179.5	-69	106.4	-132.1	0	0	109.9	R393 T481 V485 I486 E487	R393-E483 IonicContact CZ-OE1 3.54Å; R393-E483 IonicContact CZ-OE2 2.66Å; R393-E483 VanDerWaalsContact NH1-CD 3.33Å; R393-E483 IonicContact NH1-OE1 3.8Å; R393-E483 PolarHBondContact NH1-OE1 3.27Å; R393-E483 IonicContact NH1-OE2 3.35Å; R393-E483 PolarHBondContact NH1-OE2 3.16Å; R393-E483 IonicContact NH2-OE1 3.3Å; R393-E483 PolarHBondContact NH2-OE1 3.21Å; R393-E483 IonicContact NH2-OE2 3.37Å; T481-E483 PolarHBondContact O-N 3.36Å; T481-E483 WeakPolarHBondContact OG1-CB 3.41Å; T481-E483 PolarHBondContact OG1-N 3.23Å; E483-V485 VanDerWaalsContact C-N 3.3Å; E483-V485 PolarHBondContact O-N 2.84Å; E483-I486 WeakPolarHBondContact O-CA 3.13Å; E483-I486 WeakPolarHBondContact O-CB 3.39Å; E483-I486 PolarHBondContact O-N 2.56Å; E483-E487 PolarHBondContact O-N 3.13Å
484	D	90.5	Very high	89.7	Confident	17 Å²	17	45 Å²	45	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-55	-40.5	177.3	-14	-21.7	0	0	0	112.8	V362 V480 T481 I486 E487 E488	V362-D484 HydrophobicContact CG1-CB 3.65Å; V480-D484 WeakPolarHBondContact CA-OD2 3.44Å; V480-D484 WeakPolarHBondContact CG2-OD2 3.43Å; T481-D484 VanDerWaalsContact CB-OD1 3.3Å; T481-D484 WeakPolarHBondContact CB-OD1 3.35Å; T481-D484 WeakPolarHBondContact CG2-OD1 3.19Å; T481-D484 PolarHBondContact N-OD2 3.1Å; T481-D484 PolarHBondContact OG1-N 3.43Å; T481-D484 PolarHBondContact OG1-OD1 3.27Å; D484-I486 PolarHBondContact O-N 3.18Å; D484-E487 PolarHBondContact O-N 3.06Å; D484-E488 PolarHBondContact O-N 2.8Å; D484-E488 VanDerWaalsContact O-N 3.16Å
485	V	91.7	Very high	89.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71	-19.9	178.9	178.7	0	0	0	0	112.3	L354 L444 M447 L448 F451 V480 T481 E483 I489	L354-V485 HydrophobicContact CD1-CG1 4.26Å; L444-V485 HydrophobicContact CD2-CG2 4.36Å; M447-V485 HydrophobicContact CG-CG2 4.35Å; L448-V485 HydrophobicContact CB-CG1 4.01Å; L448-V485 HydrophobicContact CD1-CG1 4.23Å; F451-V485 HydrophobicContact CD2-CG2 4.47Å; F451-V485 HydrophobicContact CE2-CG2 3.97Å; V480-V485 HydrophobicContact CG2-CG2 3.87Å; T481-V485 WeakPolarHBondContact O-CG2 3.34Å; E483-V485 VanDerWaalsContact C-N 3.3Å; E483-V485 PolarHBondContact O-N 2.84Å; V485-I489 VanDerWaalsContact O-CD1 3.31Å; V485-I489 WeakPolarHBondContact O-CD1 3.33Å; V485-I489 WeakPolarHBondContact O-CG1 3.29Å
486	I	91.6	Very high	88.4	Confident	61 Å²	61	41.3 Å²	41.3	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-87.7	-38.6	173.7	-68.1	168.7	0	0	0	110.7	L482 E483 D484 E488 I489 I490 I494	L482-I486 HydrophobicContact CD1-CD1 3.99Å; L482-I486 HydrophobicContact CD1-CG1 4.3Å; L482-I486 HydrophobicContact CG-CD1 3.95Å; L482-I486 WeakPolarHBondContact O-CD1 3.47Å; L482-I486 VanDerWaalsContact O-CG1 3.28Å; L482-I486 WeakPolarHBondContact O-CG1 3.42Å; L482-I486 PolarHBondContact O-N 3.48Å; E483-I486 WeakPolarHBondContact O-CA 3.13Å; E483-I486 WeakPolarHBondContact O-CB 3.39Å; E483-I486 PolarHBondContact O-N 2.56Å; D484-I486 PolarHBondContact O-N 3.18Å; I486-E488 VanDerWaalsContact C-N 3.26Å; I486-E488 PolarHBondContact O-N 2.96Å; I486-I489 PolarHBondContact O-N 3.2Å; I486-I490 HydrophobicContact CG2-CD1 3.68Å; I486-I490 HydrophobicContact CG2-CG1 4.29Å; I486-I490 WeakPolarHBondContact O-CG1 3.34Å; I486-I490 PolarHBondContact O-N 2.92Å; I486-I494 HydrophobicContact CB-CD1 4.45Å; I486-I494 HydrophobicContact CG2-CD1 3.86Å
487	E	89.7	Confident	87.4	Confident	23 Å²	23	47.8 Å²	47.8	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-54.2	-43.8	172.5	-66.6	-179.9	137.4	0	0	111	E483 D484 I489 I490 Q491 A492 E493 I494	E483-E487 PolarHBondContact O-N 3.13Å; D484-E487 PolarHBondContact O-N 3.06Å; E487-I489 VanDerWaalsContact C-N 3.31Å; E487-I489 PolarHBondContact O-N 3.49Å; E487-I490 PolarHBondContact O-N 3.05Å; E487-Q491 VanDerWaalsContact O-CA 3.26Å; E487-Q491 WeakPolarHBondContact O-CA 3.39Å; E487-Q491 PolarHBondContact O-N 3.2Å; E487-A492 PolarHBondContact O-N 3.05Å; E487-E493 WeakPolarHBondContact OE1-CA 3.48Å; E487-I494 HydrophobicContact CG-CB 4.15Å; E487-I494 HydrophobicContact CG-CD1 3.94Å; E487-I494 HydrophobicContact CG-CG1 3.92Å; E487-I494 PolarHBondContact OE1-N 3.22Å
488	E	89.9	Confident	86.2	Confident	40 Å²	40	49.5 Å²	49.5	19%	0.187	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-25.5	174.9	-83.7	-76.9	-167.9	0	0	115.1	G350 K357 V362 L444 D484 I486	G350-E488 VanDerWaalsContact CA-O 3.31Å; G350-E488 WeakPolarHBondContact CA-O 3.39Å; K357-E488 IonicContact NZ-OE1 3.97Å; K357-E488 PolarHBondContact NZ-OE1 2.83Å; K357-E488 IonicContact NZ-OE2 2.76Å; K357-E488 PolarHBondContact NZ-OE2 2.81Å; V362-E488 HydrophobicContact CG1-CG 3.95Å; V362-E488 HydrophobicContact CG2-CG 3.78Å; L444-E488 HydrophobicContact CD1-CB 4.48Å; D484-E488 PolarHBondContact O-N 2.8Å; D484-E488 VanDerWaalsContact O-N 3.16Å; I486-E488 VanDerWaalsContact C-N 3.26Å; I486-E488 PolarHBondContact O-N 2.96Å
489	I	91.3	Very high	85	Confident	33 Å²	33	51.7 Å²	51.7	17%	0.169	27%	0.271	C	S	.	.	H	α-helix	trans	-79.4	-39.1	175	-68.5	167.3	0	0	0	110.4	I347 L354 L448 V485 I486 E487	I347-I489 WeakPolarHBondContact CA-O 3.47Å; L354-I489 HydrophobicContact CD1-CD1 3.96Å; L354-I489 HydrophobicContact CD1-CG1 3.84Å; L354-I489 HydrophobicContact CD2-CD1 4.03Å; L354-I489 HydrophobicContact CD2-CG1 4.33Å; L448-I489 HydrophobicContact CD2-CD1 3.92Å; V485-I489 VanDerWaalsContact O-CD1 3.31Å; V485-I489 WeakPolarHBondContact O-CD1 3.33Å; V485-I489 WeakPolarHBondContact O-CG1 3.29Å; I486-I489 PolarHBondContact O-N 3.2Å; E487-I489 VanDerWaalsContact C-N 3.31Å; E487-I489 PolarHBondContact O-N 3.49Å
490	I	89.6	Confident	83.8	Confident	67 Å²	67	53.2 Å²	53.2	34%	0.344	28%	0.279	S	S	.	.	H	α-helix	trans	-84.9	-26.4	-177.3	-60.2	175.2	0	0	0	111.7	N346 I347 I486 E487 A492 I494	N346-I490 WeakPolarHBondContact CB-O 3.38Å; I347-I490 HydrophobicContact CG1-CG2 4.4Å; I486-I490 HydrophobicContact CG2-CD1 3.68Å; I486-I490 HydrophobicContact CG2-CG1 4.29Å; I486-I490 WeakPolarHBondContact O-CG1 3.34Å; I486-I490 PolarHBondContact O-N 2.92Å; E487-I490 PolarHBondContact O-N 3.05Å; I490-A492 HydrophobicContact CG2-CB 4.1Å; I490-I494 HydrophobicContact CD1-CD1 4.47Å
491	Q	85.6	Confident	82.6	Confident	76 Å²	76	55.1 Å²	55.1	36%	0.355	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	44.2	-169.9	-36.5	-160.5	-64.4	0	0	112.7	N346 E487	N346-Q491 HydrophobicContact CB-CB 4.09Å; N346-Q491 HydrophobicContact CB-CG 4.23Å; N346-Q491 WeakPolarHBondContact O-CG 3.34Å; N346-Q491 PolarHBondContact O-OE1 3.22Å; E487-Q491 VanDerWaalsContact O-CA 3.26Å; E487-Q491 WeakPolarHBondContact O-CA 3.39Å; E487-Q491 PolarHBondContact O-N 3.2Å
492	A	85.2	Confident	81.1	Confident	54 Å²	54	56.9 Å²	56.9	45%	0.446	30%	0.3	S	S	.	.	S	Bend	trans	-153.6	141.8	175	0	0	0	0	0	111.1	E487 I490	E487-A492 PolarHBondContact O-N 3.05Å; I490-A492 HydrophobicContact CG2-CB 4.1Å
493	E	81	Confident	79.7	Confident	83 Å²	83	56.7 Å²	56.7	39%	0.388	30%	0.299	S	S	.	.			trans	-63.9	145.9	175.1	-51.2	-76.4	115.3	0	0	111.6	E487 D503 N504	E487-E493 WeakPolarHBondContact OE1-CA 3.48Å; E493-D503 VanDerWaalsContact OE2-CA 3.31Å; E493-D503 WeakPolarHBondContact OE2-CA 3.27Å; E493-N504 PolarHBondContact OE2-N 3.04Å
494	I	80.2	Confident	78.4	Confident	83 Å²	83	57 Å²	57	43%	0.426	30%	0.304	S	S	.	.			trans	-116.8	107.6	177.6	-63.9	170.1	0	0	0	108.6	I486 E487 I490	I486-I494 HydrophobicContact CB-CD1 4.45Å; I486-I494 HydrophobicContact CG2-CD1 3.86Å; E487-I494 HydrophobicContact CG-CB 4.15Å; E487-I494 HydrophobicContact CG-CD1 3.94Å; E487-I494 HydrophobicContact CG-CG1 3.92Å; E487-I494 PolarHBondContact OE1-N 3.22Å; I490-I494 HydrophobicContact CD1-CD1 4.47Å
495	V	76.5	Confident	77.2	Confident	56 Å²	56	61.6 Å²	61.6	34%	0.339	33%	0.332	S	S	.	.			trans	-106.6	111.1	-176.2	-174.3	0	0	0	0	110.4	D499	V495-D499 HydrophobicContact CG1-CB 4.07Å
496	D	73.2	Confident	75.7	Confident	85 Å²	85	68 Å²	68	46%	0.455	36%	0.361	S	S	.	.			trans	-72.6	170.2	177.5	-160.3	0.4	0	0	0	111.4	T498 D499 R510	D496-T498 VanDerWaalsContact C-N 3.26Å; D496-T498 PolarHBondContact O-N 3.48Å; D496-D499 WeakPolarHBondContact CA-OD2 3.45Å; D496-D499 VanDerWaalsContact CB-OD2 3.23Å; D496-D499 WeakPolarHBondContact CB-OD2 3.35Å; D496-D499 PolarHBondContact N-OD2 2.94Å; D496-D499 PolarHBondContact O-N 3.13Å; D496-R510 PolarHBondContact O-NH1 3.48Å; D496-R510 PolarHBondContact O-NH2 3Å; D496-R510 VanDerWaalsContact O-NH2 3.13Å
497	E	70.5	Confident	74.4	Confident	161 Å²	161	70.3 Å²	70.3	75%	0.752	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.4	-178.9	-64	172.1	172.1	0	0	112.5
498	T	67.8	Low	72.6	Confident	71 Å²	71	74 Å²	74	44%	0.436	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-17.4	175.8	42.6	0	0	0	0	114.6	D496	D496-T498 VanDerWaalsContact C-N 3.26Å; D496-T498 PolarHBondContact O-N 3.48Å
499	D	68.6	Low	71.2	Confident	46 Å²	46	77.2 Å²	77.2	25%	0.246	41%	0.41	C	S	.	.			trans	-78.2	142.1	-161	-63.3	-16.6	0	0	0	113.8	V495 D496 R510	V495-D499 HydrophobicContact CG1-CB 4.07Å; D496-D499 WeakPolarHBondContact CA-OD2 3.45Å; D496-D499 VanDerWaalsContact CB-OD2 3.23Å; D496-D499 WeakPolarHBondContact CB-OD2 3.35Å; D496-D499 PolarHBondContact N-OD2 2.94Å; D496-D499 PolarHBondContact O-N 3.13Å; D499-R510 WeakPolarHBondContact O-CD 3.41Å; D499-R510 PolarHBondContact O-NH1 3.33Å
500	I	68.5	Low	69.5	Low	42 Å²	42	79.1 Å²	79.1	22%	0.215	42%	0.415	C	S	.	.	S	Bend	trans	-98.5	-26.5	-172.4	-58.9	155.9	0	0	0	111.1	S388 N389 V509 R510	S388-I500 WeakPolarHBondContact O-CD1 3.4Å; N389-I500 VanDerWaalsContact C-CD1 3.44Å; N389-I500 VanDerWaalsContact CA-CD1 3.47Å; N389-I500 WeakPolarHBondContact O-CD1 3.25Å; I500-V509 HydrophobicContact CG2-CG1 4.3Å; I500-V509 CarbonylContact O-C 3.57Å; I500-V509 WeakPolarHBondContact O-CA 3.31Å; I500-R510 WeakPolarHBondContact O-CB 3.12Å; I500-R510 PolarHBondContact O-N 3.08Å
501	L	67.1	Low	67.7	Low	40 Å²	40	85.4 Å²	85.4	21%	0.209	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-98.3	153.4	170.4	-55.4	-177.3	0	0	0	108.9	H507 Q508 V509	L501-H507 HydrophobicContact CD2-CB 4.42Å; L501-Q508 CarbonylContact C-O 3.6Å; L501-Q508 WeakPolarHBondContact CA-O 3.15Å; L501-V509 HydrophobicContact CD2-CG2 4.13Å
502	T	61.9	Low	66.1	Low	51 Å²	51	85.7 Å²	85.7	31%	0.313	45%	0.45	S	S	.	.	S	Bend	trans	-114	1.3	171.9	63.2	0	0	0	0	113.3	Q508 R510	T502-Q508 PolarHBondContact N-O 3.49Å; T502-Q508 PolarHBondContact OG1-O 3.32Å; T502-R510 HydrophobicContact CG2-CB 3.57Å; T502-R510 HydrophobicContact CG2-CG 3.51Å
503	D	63.4	Low	64.2	Low	23 Å²	23	94.4 Å²	94.4	12%	0.123	47%	0.471	C	S	.	.			trans	-162.9	115.1	-170.7	-178.3	-39.3	0	0	0	106.5	E493 V505 H506 H507 Q508	E493-D503 VanDerWaalsContact OE2-CA 3.31Å; E493-D503 WeakPolarHBondContact OE2-CA 3.27Å; D503-V505 VanDerWaalsContact C-N 3.32Å; D503-V505 PolarHBondContact OD1-N 3.44Å; D503-H506 HydrophobicContact CB-CB 4.45Å; D503-H506 VanDerWaalsContact CG-ND1 3.29Å; D503-H506 IonicContact OD1-CG 3.87Å; D503-H506 PolarHBondContact OD1-N 2.9Å; D503-H506 IonicContact OD1-ND1 2.69Å; D503-H506 PolarHBondContact OD1-ND1 3.38Å; D503-H506 VanDerWaalsContact OD1-ND1 3.09Å; D503-H506 IonicContact OD2-CE1 2.85Å; D503-H506 IonicContact OD2-CG 3.58Å; D503-H506 IonicContact OD2-ND1 2.78Å; D503-H506 PolarHBondContact OD2-ND1 3.26Å; D503-H507 WeakPolarHBondContact O-CA 3.37Å; D503-H507 PolarHBondContact O-N 2.9Å; D503-H507 VanDerWaalsContact O-N 3.13Å; D503-Q508 HydrophobicContact CB-CB 4.12Å; D503-Q508 HydrophobicContact CB-CG 4.18Å; D503-Q508 PolarHBondContact OD2-NE2 2.84Å
504	N	62.9	Low	62.8	Low	86 Å²	86	94.3 Å²	94.3	46%	0.46	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-23.2	-175.5	-75.3	-42.7	0	0	0	112.7	E493 H507	E493-N504 PolarHBondContact OE2-N 3.04Å; N504-H507 PolarHBondContact O-ND1 3.25Å
505	V	64.4	Low	61.4	Low	112 Å²	112	99.5 Å²	99.5	68%	0.679	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-39.1	-176.7	-178.3	0	0	0	0	112	D503	D503-V505 VanDerWaalsContact C-N 3.32Å; D503-V505 PolarHBondContact OD1-N 3.44Å
506	H	61.5	Low	60.2	Low	134 Å²	134	100.2 Å²	100.2	62%	0.62	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-0.1	-178.1	-57.5	95.4	0	0	0	113.4	D503 Q508	D503-H506 HydrophobicContact CB-CB 4.45Å; D503-H506 VanDerWaalsContact CG-ND1 3.29Å; D503-H506 IonicContact OD1-CG 3.87Å; D503-H506 PolarHBondContact OD1-N 2.9Å; D503-H506 IonicContact OD1-ND1 2.69Å; D503-H506 PolarHBondContact OD1-ND1 3.38Å; D503-H506 VanDerWaalsContact OD1-ND1 3.09Å; D503-H506 IonicContact OD2-CE1 2.85Å; D503-H506 IonicContact OD2-CG 3.58Å; D503-H506 IonicContact OD2-ND1 2.78Å; D503-H506 PolarHBondContact OD2-ND1 3.26Å; H506-Q508 HydrophobicContact CB-CG 3.87Å; H506-Q508 PolarHBondContact O-N 3.2Å; H506-Q508 VanDerWaalsContact O-N 3.17Å
507	H	63.8	Low	59.2	Low	110 Å²	110	99.8 Å²	99.8	51%	0.509	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	40.7	-177.4	-57.6	-52.7	0	0	0	113.8	L501 D503 N504 V509	L501-H507 HydrophobicContact CD2-CB 4.42Å; D503-H507 WeakPolarHBondContact O-CA 3.37Å; D503-H507 PolarHBondContact O-N 2.9Å; D503-H507 VanDerWaalsContact O-N 3.13Å; N504-H507 PolarHBondContact O-ND1 3.25Å; H507-V509 PolarHBondContact O-N 3.35Å; H507-V509 VanDerWaalsContact O-N 3.11Å
508	Q	52	Low	58.2	Low	102 Å²	102	97 Å²	97	48%	0.477	46%	0.462	S	S	.	.			trans	-70.6	110.4	-175.8	-67	-172.5	65.1	0	0	110.7	L501 T502 D503 H506 R510	L501-Q508 CarbonylContact C-O 3.6Å; L501-Q508 WeakPolarHBondContact CA-O 3.15Å; T502-Q508 PolarHBondContact N-O 3.49Å; T502-Q508 PolarHBondContact OG1-O 3.32Å; D503-Q508 HydrophobicContact CB-CB 4.12Å; D503-Q508 HydrophobicContact CB-CG 4.18Å; D503-Q508 PolarHBondContact OD2-NE2 2.84Å; H506-Q508 HydrophobicContact CB-CG 3.87Å; H506-Q508 PolarHBondContact O-N 3.2Å; H506-Q508 VanDerWaalsContact O-N 3.17Å; Q508-R510 PolarHBondContact O-N 3.39Å
509	V	60.2	Low	57.2	Low	106 Å²	106	95.3 Å²	95.3	64%	0.642	45%	0.45	S	S	*	.	B	Isolated β-bridge	trans	-74.6	117.5	-176.3	-176.9	0	0	0	0	111	I500 L501 H507	I500-V509 HydrophobicContact CG2-CG1 4.3Å; I500-V509 CarbonylContact O-C 3.57Å; I500-V509 WeakPolarHBondContact O-CA 3.31Å; L501-V509 HydrophobicContact CD2-CG2 4.13Å; H507-V509 PolarHBondContact O-N 3.35Å; H507-V509 VanDerWaalsContact O-N 3.11Å
510	R	55.3	Low	56.3	Low	73 Å²	73	93.5 Å²	93.5	28%	0.275	44%	0.44	S	S	.	.			trans	-65.3	127.7	177.3	-158.8	-178.2	-175.4	-174.2	14.3	110.6	D496 D499 I500 T502 Q508 V512	D496-R510 PolarHBondContact O-NH1 3.48Å; D496-R510 PolarHBondContact O-NH2 3Å; D496-R510 VanDerWaalsContact O-NH2 3.13Å; D499-R510 WeakPolarHBondContact O-CD 3.41Å; D499-R510 PolarHBondContact O-NH1 3.33Å; I500-R510 WeakPolarHBondContact O-CB 3.12Å; I500-R510 PolarHBondContact O-N 3.08Å; T502-R510 HydrophobicContact CG2-CB 3.57Å; T502-R510 HydrophobicContact CG2-CG 3.51Å; Q508-R510 PolarHBondContact O-N 3.39Å; R510-V512 HydrophobicContact CB-CG2 4.22Å; R510-V512 HydrophobicContact CG-CG2 3.72Å; R510-V512 PolarHBondContact O-N 2.99Å
511	Q	52.1	Low	55.3	Low	200 Å²	200	92.9 Å²	92.9	94%	0.935	44%	0.443	S	S	*	.			trans	-77.5	51.7	177.8	-64.3	-161.3	4.7	0	0	113.6
512	V	51.6	Low	54.4	Low	82 Å²	82	94.9 Å²	94.9	50%	0.497	45%	0.454	S	S	.	.			trans	-75	129	168.9	-172.5	0	0	0	0	108.9	R510 K514	R510-V512 HydrophobicContact CB-CG2 4.22Å; R510-V512 HydrophobicContact CG-CG2 3.72Å; R510-V512 PolarHBondContact O-N 2.99Å; V512-K514 PolarHBondContact O-N 2.89Å
513	R	46.6	Very low	53.6	Low	237 Å²	237	98.9 Å²	98.9	89%	0.894	47%	0.469	S	S	*	.			trans	-67.4	91.2	170.7	-71.8	-177.6	174.5	-176.5	-2.9	109.9	R515	R513-R515 PolarHBondContact O-N 2.89Å
514	K	49.8	Very low	52.8	Low	81 Å²	81	103.9 Å²	103.9	35%	0.352	50%	0.495	S	S	.	.			trans	-57.3	137	174.7	-76.6	-171.3	174.4	-177	0	110.7	S388 V512 D516	S388-K514 PolarHBondContact O-NZ 2.94Å; V512-K514 PolarHBondContact O-N 2.89Å; K514-D516 VanDerWaalsContact C-N 3.3Å; K514-D516 PolarHBondContact O-N 3.16Å
515	R	51.9	Low	51.8	Low	192 Å²	192	103.9 Å²	103.9	73%	0.725	50%	0.502	S	S	*	.			trans	-80.7	84.1	161.5	-70.8	178.9	177.8	156.8	-1.7	107	R513 F517	R513-R515 PolarHBondContact O-N 2.89Å; R515-F517 HydrophobicContact CB-CE2 4.29Å; R515-F517 VanDerWaalsContact O-CD2 3.23Å; R515-F517 WeakPolarHBondContact O-CD2 3.45Å; R515-F517 PolarHBondContact O-N 2.9Å
516	D	50.3	Low	50.6	Low	70 Å²	70	107.7 Å²	107.7	37%	0.374	51%	0.513	S	S	.	.			trans	-70.8	86.4	-172.4	-84.3	-45.2	0	0	0	112.8	K514 R518 M519 Q561	K514-D516 VanDerWaalsContact C-N 3.3Å; K514-D516 PolarHBondContact O-N 3.16Å; D516-R518 HydrophobicContact CB-CB 4.31Å; D516-R518 PolarHBondContact O-N 3.36Å; D516-R518 VanDerWaalsContact O-N 3.12Å; D516-R518 WeakPolarHBondContact OD1-CD 3.49Å; D516-R518 IonicContact OD1-NE 3.09Å; D516-M519 PolarHBondContact O-N 2.99Å; D516-M519 VanDerWaalsContact O-N 3.14Å; D516-Q561 PolarHBondContact O-NE2 3.44Å
517	F	52.7	Low	49.8	Very low	76 Å²	76	103.8 Å²	103.8	33%	0.333	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14	165.1	-61.2	-75.3	0	0	0	112.3	R515 M519 F520 G521 I537	R515-F517 HydrophobicContact CB-CE2 4.29Å; R515-F517 VanDerWaalsContact O-CD2 3.23Å; R515-F517 WeakPolarHBondContact O-CD2 3.45Å; R515-F517 PolarHBondContact O-N 2.9Å; F517-M519 PolarHBondContact O-N 3Å; F517-M519 VanDerWaalsContact O-N 3.16Å; F517-F520 HydrophobicContact CD1-CD2 4.29Å; F517-F520 WeakPolarHBondContact O-CB 3.35Å; F517-F520 PolarHBondContact O-N 3.08Å; F517-G521 PolarHBondContact O-N 2.83Å; F517-I537 HydrophobicContact CD1-CD1 3.9Å; F517-I537 HydrophobicContact CD1-CG1 4.33Å; F517-I537 HydrophobicContact CE1-CD1 4.34Å; F517-I537 HydrophobicContact CE1-CG2 4.46Å
518	R	50.2	Low	49.2	Very low	102 Å²	102	107.3 Å²	107.3	39%	0.385	52%	0.523	S	S	.	.	H	α-helix	trans	-44.8	-38.9	164.7	-61.7	179	175	-176.9	-7.2	112.8	N384 S388 D516 F520 G521 L522	N384-R518 VanDerWaalsContact ND2-CA 3.34Å; N384-R518 WeakPolarHBondContact ND2-CA 3.48Å; N384-R518 PolarHBondContact ND2-N 2.89Å; S388-R518 PolarHBondContact OG-NH2 3.08Å; D516-R518 HydrophobicContact CB-CB 4.31Å; D516-R518 PolarHBondContact O-N 3.36Å; D516-R518 VanDerWaalsContact O-N 3.12Å; D516-R518 WeakPolarHBondContact OD1-CD 3.49Å; D516-R518 IonicContact OD1-NE 3.09Å; R518-F520 PolarHBondContact O-N 3.25Å; R518-G521 PolarHBondContact O-N 3.2Å; R518-L522 PolarHBondContact O-N 3.29Å
519	M	46.8	Very low	49.2	Very low	37 Å²	37	104.7 Å²	104.7	18%	0.182	52%	0.516	C	S	.	.	H	α-helix	trans	-73.1	-3.2	178.4	-177.6	-178.7	-178.8	0	0	114.2	D516 F517 Q561 N565	D516-M519 PolarHBondContact O-N 2.99Å; D516-M519 VanDerWaalsContact O-N 3.14Å; F517-M519 PolarHBondContact O-N 3Å; F517-M519 VanDerWaalsContact O-N 3.16Å; M519-Q561 HydrophobicContact CB-CG 4.45Å; M519-Q561 HydrophobicContact CE-CG 4.27Å; M519-Q561 HydrophobicContact CG-CG 3.96Å; M519-Q561 HydrophobicContact SD-CB 4.47Å; M519-Q561 HydrophobicContact SD-CG 3.84Å; M519-N565 PolarHBondContact O-ND2 3.18Å
520	F	50.2	Low	49.4	Very low	8 Å²	8	105.8 Å²	105.8	4%	0.035	51%	0.508	C	S	.	.	H	α-helix	trans	-100	-18.5	164	-70.2	-60.3	0	0	0	114.4	F380 F517 R518 K536 I537 L540 Q561	F380-F520 HydrophobicContact CE1-CB 4.13Å; F380-F520 HydrophobicContact CZ-CB 4.05Å; F517-F520 HydrophobicContact CD1-CD2 4.29Å; F517-F520 WeakPolarHBondContact O-CB 3.35Å; F517-F520 PolarHBondContact O-N 3.08Å; R518-F520 PolarHBondContact O-N 3.25Å; F520-K536 HydrophobicContact CD1-CB 3.91Å; F520-K536 HydrophobicContact CD1-CD 3.78Å; F520-K536 HydrophobicContact CE1-CB 3.86Å; F520-K536 HydrophobicContact CE1-CD 4.25Å; F520-I537 HydrophobicContact CD2-CD1 4.07Å; F520-I537 HydrophobicContact CD2-CG1 3.58Å; F520-I537 HydrophobicContact CE2-CG1 3.66Å; F520-I537 HydrophobicContact CG-CG1 4.19Å; F520-I537 HydrophobicContact CZ-CG1 4.32Å; F520-L540 HydrophobicContact CE2-CD2 3.88Å; F520-L540 HydrophobicContact CZ-CB 4.33Å; F520-L540 HydrophobicContact CZ-CD1 4.15Å; F520-L540 HydrophobicContact CZ-CD2 3.67Å; F520-L540 HydrophobicContact CZ-CG 4.27Å; F520-Q561 HydrophobicContact CD1-CG 4.43Å; F520-Q561 VanDerWaalsContact CD2-NE2 3.28Å; F520-Q561 HydrophobicContact CE1-CG 3.81Å; F520-Q561 HydrophobicContact CE2-CG 3.93Å; F520-Q561 HydrophobicContact CZ-CB 4.2Å; F520-Q561 HydrophobicContact CZ-CG 3.52Å
521	G	47.1	Very low	50.2	Low	28 Å²	28	102.8 Å²	102.8	29%	0.289	50%	0.498	S	S	.	.	H	α-helix	trans	-99.5	-5.8	-172.4	0	0	0	0	0	115.4	F517 R518	F517-G521 PolarHBondContact O-N 2.83Å; R518-G521 PolarHBondContact O-N 3.2Å
522	L	47.1	Very low	51.4	Low	83 Å²	83	95.1 Å²	95.1	44%	0.435	47%	0.466	S	S	.	.	S	Bend	trans	-105	134.4	-174.5	-72.6	165.4	0	0	0	112.1	R518 H730	R518-L522 PolarHBondContact O-N 3.29Å; L522-H730 VanDerWaalsContact CD1-CE1 3.46Å; L522-H730 WeakPolarHBondContact CD1-CE1 3.39Å
523	H	46.2	Very low	52.4	Low	135 Å²	135	92.8 Å²	92.8	63%	0.625	45%	0.453	S	S	*	.			trans	61.9	88.8	-179.2	-70.2	-55.3	0	0	0	118.9	S525	H523-S525 WeakPolarHBondContact ND1-CB 3.47Å; H523-S525 PolarHBondContact ND1-OG 2.9Å
524	D	46.2	Very low	53.8	Low	127 Å²	127	85.1 Å²	85.1	68%	0.679	43%	0.427	S	S	*	.			trans	-82.8	5.7	146.8	-162.5	31.7	0	0	0	111.9
525	S	41.6	Very low	55.4	Low	86 Å²	86	82.1 Å²	82.1	60%	0.601	42%	0.415	S	S	*	.	S	Bend	trans	-82.5	-16.5	-158.7	-42.8	0	0	0	0	116.7	H523	H523-S525 WeakPolarHBondContact ND1-CB 3.47Å; H523-S525 PolarHBondContact ND1-OG 2.9Å
526	Q	39.9	Very low	56.8	Low	192 Å²	192	73.6 Å²	73.6	90%	0.897	38%	0.383	S	S	*	.	S	Bend	trans	-133.4	-8.2	-173.5	-77.5	-82.9	-22.5	0	0	114.2
527	G	45.1	Very low	58.3	Low	53 Å²	53	72.2 Å²	72.2	55%	0.546	38%	0.375	S	S	.	.	S	Bend	trans	-171.4	124.2	178.7	0	0	0	0	0	111.8	S529	G527-S529 PolarHBondContact O-N 3.09Å
528	K	49.8	Very low	59.9	Low	184 Å²	184	70.6 Å²	70.6	80%	0.8	38%	0.375	S	S	*	.			trans	-57.8	104.5	-174.1	-69.5	-177.5	177.4	-177.6	0	112	R530	K528-R530 PolarHBondContact O-N 2.85Å
529	S	52.3	Low	61.6	Low	47 Å²	47	65.7 Å²	65.7	33%	0.329	36%	0.357	S	S	.	.			trans	-69	98	168.7	154.5	0	0	0	0	109.1	G527 L531 K536	G527-S529 PolarHBondContact O-N 3.09Å; S529-L531 PolarHBondContact O-N 2.78Å; S529-L531 VanDerWaalsContact O-N 3.09Å; S529-L531 PolarHBondContact OG-O 3.1Å; S529-K536 WeakPolarHBondContact OG-CE 3.4Å; S529-K536 PolarHBondContact OG-NZ 3.09Å
530	R	64.3	Low	63.5	Low	129 Å²	129	64 Å²	64	49%	0.487	35%	0.348	S	S	.	.			trans	-65.9	-10.1	-168.9	-74.8	170.6	128.2	143.3	-6.2	116.8	K528 V569 E571 Q668	K528-R530 PolarHBondContact O-N 2.85Å; R530-V569 HydrophobicContact CB-CG1 4.05Å; R530-E571 WeakPolarHBondContact CD-OE1 3.15Å; R530-E571 IonicContact CZ-OE1 3.94Å; R530-E571 IonicContact CZ-OE2 2.78Å; R530-E571 VanDerWaalsContact CZ-OE2 3.25Å; R530-E571 IonicContact NE-OE1 3.51Å; R530-E571 PolarHBondContact NE-OE1 2.76Å; R530-E571 IonicContact NE-OE2 2.7Å; R530-E571 PolarHBondContact NE-OE2 2.69Å; R530-E571 VanDerWaalsContact NE-OE2 3.1Å; R530-E571 IonicContact NH2-OE1 3.45Å; R530-E571 IonicContact NH2-OE2 2.65Å; R530-E571 PolarHBondContact NH2-OE2 2.96Å; R530-Q668 PolarHBondContact O-NE2 2.79Å; R530-Q668 VanDerWaalsContact O-NE2 3.1Å
531	L	72.7	Confident	65.1	Low	10 Å²	10	72.2 Å²	72.2	5%	0.052	38%	0.38	C	S	.	.	S	Bend	trans	-103.9	145.3	175.9	-80.2	69.9	0	0	0	110.6	S529 L535 K536 V569 L598	S529-L531 PolarHBondContact O-N 2.78Å; S529-L531 VanDerWaalsContact O-N 3.09Å; S529-L531 PolarHBondContact OG-O 3.1Å; L531-L535 HydrophobicContact CB-CB 4.45Å; L531-L535 HydrophobicContact CB-CD2 4.42Å; L531-L535 HydrophobicContact CD2-CB 4.44Å; L531-L535 HydrophobicContact CD2-CD2 4.26Å; L531-L535 HydrophobicContact CD2-CG 4Å; L531-L535 HydrophobicContact CG-CD2 3.9Å; L531-L535 HydrophobicContact CG-CG 4.16Å; L531-K536 HydrophobicContact CB-CG 3.74Å; L531-K536 HydrophobicContact CD2-CG 3.92Å; L531-V569 HydrophobicContact CD1-CB 4.16Å; L531-V569 HydrophobicContact CD1-CG1 3.58Å; L531-V569 HydrophobicContact CD1-CG2 3.43Å; L531-V569 VanDerWaalsContact CD1-CG2 3.43Å; L531-L598 HydrophobicContact CD1-CD1 4.33Å; L531-L598 HydrophobicContact CD2-CD1 4.09Å
532	S	76	Confident	67.1	Low	39 Å²	39	71.7 Å²	71.7	27%	0.273	37%	0.37	S	S	.	.			trans	-63.5	150.5	162.7	76.3	0	0	0	0	110.6	D419 Q534 L535 K536	D419-S532 WeakPolarHBondContact OD2-CB 3.45Å; D419-S532 PolarHBondContact OD2-OG 2.89Å; S532-Q534 PolarHBondContact O-N 3.23Å; S532-L535 PolarHBondContact O-N 3.49Å; S532-L535 PolarHBondContact OG-N 2.87Å; S532-K536 PolarHBondContact O-N 3.23Å
533	P	73.7	Confident	69.1	Low	33 Å²	33	67.8 Å²	67.8	21%	0.214	35%	0.349	C	S	.	.	H	α-helix	trans	-56.8	-34.6	179.4	-26.7	35.9	0	0	0	113.2	F380 K536 I537	F380-P533 HydrophobicContact CB-CG 4.29Å; F380-P533 HydrophobicContact CD1-CB 3.75Å; F380-P533 HydrophobicContact CD1-CG 3.91Å; F380-P533 HydrophobicContact CD2-CB 3.61Å; F380-P533 HydrophobicContact CD2-CG 4.27Å; F380-P533 HydrophobicContact CE1-CB 3.78Å; F380-P533 HydrophobicContact CE1-CG 4.35Å; F380-P533 HydrophobicContact CE2-CB 3.63Å; F380-P533 HydrophobicContact CG-CB 3.68Å; F380-P533 HydrophobicContact CG-CG 3.87Å; F380-P533 HydrophobicContact CZ-CB 3.72Å; P533-K536 WeakPolarHBondContact O-CB 3.33Å; P533-K536 PolarHBondContact O-N 3.35Å; P533-I537 WeakPolarHBondContact O-CG1 3.44Å; P533-I537 PolarHBondContact O-N 3.48Å
534	Q	75	Confident	71	Confident	75 Å²	75	62.9 Å²	62.9	35%	0.35	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-47.1	173.9	-62.4	-166.7	6.6	0	0	112.3	N417 T418 S532 K536 I537 A538	N417-Q534 PolarHBondContact OD1-NE2 3.11Å; N417-Q534 PolarHBondContact OD1-OE1 2.87Å; T418-Q534 PolarHBondContact OG1-NE2 2.9Å; S532-Q534 PolarHBondContact O-N 3.23Å; Q534-K536 VanDerWaalsContact C-N 3.29Å; Q534-K536 PolarHBondContact O-N 2.89Å; Q534-I537 PolarHBondContact O-N 3Å; Q534-I537 VanDerWaalsContact O-N 3.12Å; Q534-A538 PolarHBondContact O-N 3.33Å
535	L	84.3	Confident	72.9	Confident	19 Å²	19	60.7 Å²	60.7	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-34.2	178.9	-174.9	61.7	0	0	0	111.5	L531 S532 A539 Q599 F618	L531-L535 HydrophobicContact CB-CB 4.45Å; L531-L535 HydrophobicContact CB-CD2 4.42Å; L531-L535 HydrophobicContact CD2-CB 4.44Å; L531-L535 HydrophobicContact CD2-CD2 4.26Å; L531-L535 HydrophobicContact CD2-CG 4Å; L531-L535 HydrophobicContact CG-CD2 3.9Å; L531-L535 HydrophobicContact CG-CG 4.16Å; S532-L535 PolarHBondContact O-N 3.49Å; S532-L535 PolarHBondContact OG-N 2.87Å; L535-A539 VanDerWaalsContact O-CB 3.27Å; L535-A539 WeakPolarHBondContact O-CB 3.25Å; L535-A539 PolarHBondContact O-N 3.46Å; L535-Q599 HydrophobicContact CD2-CG 3.78Å; L535-F618 HydrophobicContact CD1-CZ 4.16Å
536	K	82.2	Confident	75.1	Confident	13 Å²	13	62.8 Å²	62.8	6%	0.057	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-47.1	169.7	-66.5	-175.1	-177.8	178.1	0	111.9	F520 S529 L531 S532 P533 Q534 A538 A539 L540 N565	F520-K536 HydrophobicContact CD1-CB 3.91Å; F520-K536 HydrophobicContact CD1-CD 3.78Å; F520-K536 HydrophobicContact CE1-CB 3.86Å; F520-K536 HydrophobicContact CE1-CD 4.25Å; S529-K536 WeakPolarHBondContact OG-CE 3.4Å; S529-K536 PolarHBondContact OG-NZ 3.09Å; L531-K536 HydrophobicContact CB-CG 3.74Å; L531-K536 HydrophobicContact CD2-CG 3.92Å; S532-K536 PolarHBondContact O-N 3.23Å; P533-K536 WeakPolarHBondContact O-CB 3.33Å; P533-K536 PolarHBondContact O-N 3.35Å; Q534-K536 VanDerWaalsContact C-N 3.29Å; Q534-K536 PolarHBondContact O-N 2.89Å; K536-A538 VanDerWaalsContact C-N 3.35Å; K536-A539 PolarHBondContact O-N 2.9Å; K536-L540 VanDerWaalsContact O-CB 3.22Å; K536-L540 WeakPolarHBondContact O-CB 3.44Å; K536-L540 PolarHBondContact O-N 2.87Å; K536-N565 PolarHBondContact NZ-OD1 3.39Å
537	I	81.7	Confident	77.3	Confident	41 Å²	41	54 Å²	54	21%	0.21	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-38.9	179.9	-69	164	0	0	0	111.1	F380 F517 F520 P533 Q534 R541	F380-I537 HydrophobicContact CE2-CD1 3.8Å; F380-I537 HydrophobicContact CZ-CD1 3.94Å; F517-I537 HydrophobicContact CD1-CD1 3.9Å; F517-I537 HydrophobicContact CD1-CG1 4.33Å; F517-I537 HydrophobicContact CE1-CD1 4.34Å; F517-I537 HydrophobicContact CE1-CG2 4.46Å; F520-I537 HydrophobicContact CD2-CD1 4.07Å; F520-I537 HydrophobicContact CD2-CG1 3.58Å; F520-I537 HydrophobicContact CE2-CG1 3.66Å; F520-I537 HydrophobicContact CG-CG1 4.19Å; F520-I537 HydrophobicContact CZ-CG1 4.32Å; P533-I537 WeakPolarHBondContact O-CG1 3.44Å; P533-I537 PolarHBondContact O-N 3.48Å; Q534-I537 PolarHBondContact O-N 3Å; Q534-I537 VanDerWaalsContact O-N 3.12Å; I537-R541 WeakPolarHBondContact O-CB 3.5Å; I537-R541 PolarHBondContact O-N 3.33Å
538	A	84.9	Confident	79.3	Confident	41 Å²	41	58 Å²	58	34%	0.339	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-48.2	174.2	0	0	0	0	0	111.8	Q534 K536 L540 R541 H542 F618	Q534-A538 PolarHBondContact O-N 3.33Å; K536-A538 VanDerWaalsContact C-N 3.35Å; A538-L540 PolarHBondContact O-N 3.32Å; A538-R541 PolarHBondContact O-N 3.22Å; A538-H542 WeakPolarHBondContact O-CB 3.49Å; A538-H542 PolarHBondContact O-N 3.36Å; A538-F618 HydrophobicContact CB-CE1 4.17Å; A538-F618 HydrophobicContact CB-CZ 3.84Å
539	A	86.9	Confident	81.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-43.7	176.5	0	0	0	0	0	112.3	L535 K536 L543 L564 L598	L535-A539 VanDerWaalsContact O-CB 3.27Å; L535-A539 WeakPolarHBondContact O-CB 3.25Å; L535-A539 PolarHBondContact O-N 3.46Å; K536-A539 PolarHBondContact O-N 2.9Å; A539-L543 VanDerWaalsContact O-CB 3.31Å; A539-L543 WeakPolarHBondContact O-CB 3.49Å; A539-L543 WeakPolarHBondContact O-CG 3.28Å; A539-L543 PolarHBondContact O-N 3.44Å; A539-L564 HydrophobicContact CB-CD1 4.33Å; A539-L598 HydrophobicContact CB-CD2 3.72Å
540	L	85.4	Confident	82.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-50.7	174.2	-177	87.4	0	0	0	111.4	F520 K536 A538 A544 Y557 L560 Q561 L564	F520-L540 HydrophobicContact CE2-CD2 3.88Å; F520-L540 HydrophobicContact CZ-CB 4.33Å; F520-L540 HydrophobicContact CZ-CD1 4.15Å; F520-L540 HydrophobicContact CZ-CD2 3.67Å; F520-L540 HydrophobicContact CZ-CG 4.27Å; K536-L540 VanDerWaalsContact O-CB 3.22Å; K536-L540 WeakPolarHBondContact O-CB 3.44Å; K536-L540 PolarHBondContact O-N 2.87Å; A538-L540 PolarHBondContact O-N 3.32Å; L540-A544 VanDerWaalsContact O-CB 3.3Å; L540-A544 WeakPolarHBondContact O-CB 3.42Å; L540-A544 PolarHBondContact O-N 3.25Å; L540-Y557 HydrophobicContact CD2-CD2 4.47Å; L540-Y557 HydrophobicContact CD2-CE1 3.76Å; L540-Y557 HydrophobicContact CD2-CE2 3.67Å; L540-Y557 VanDerWaalsContact CD2-OH 3.25Å; L540-Y557 WeakPolarHBondContact CD2-OH 3.22Å; L540-Y557 HydrophobicContact CG-CE2 4.2Å; L540-L560 HydrophobicContact CD1-CB 4.09Å; L540-L560 HydrophobicContact CD1-CD2 4.16Å; L540-L560 HydrophobicContact CD1-CG 3.87Å; L540-Q561 HydrophobicContact CD1-CB 4.05Å; L540-L564 VanDerWaalsContact CA-CD1 3.49Å; L540-L564 HydrophobicContact CB-CD1 3.63Å; L540-L564 HydrophobicContact CD1-CD1 3.88Å; L540-L564 HydrophobicContact CG-CD1 4.39Å
541	R	85.4	Confident	83.7	Confident	182 Å²	182	44 Å²	44	69%	0.687	23%	0.227	S	C	*	.	H	α-helix	trans	-63.7	-49.9	-177.7	-172.1	172.8	-177.1	159.6	1.3	110.9	I537 A538 A544 S545	I537-R541 WeakPolarHBondContact O-CB 3.5Å; I537-R541 PolarHBondContact O-N 3.33Å; A538-R541 PolarHBondContact O-N 3.22Å; R541-A544 PolarHBondContact O-N 3.46Å; R541-S545 WeakPolarHBondContact O-CB 3.29Å; R541-S545 PolarHBondContact O-N 2.88Å; R541-S545 PolarHBondContact O-OG 3.24Å
542	H	89.2	Confident	84.1	Confident	17 Å²	17	50.3 Å²	50.3	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-48.3	177.5	171.9	79.1	0	0	0	112.2	A538 A544 S545 E546 F618	A538-H542 WeakPolarHBondContact O-CB 3.49Å; A538-H542 PolarHBondContact O-N 3.36Å; H542-A544 PolarHBondContact O-N 3.46Å; H542-S545 PolarHBondContact O-N 3.29Å; H542-E546 IonicContact CE1-OE1 2.62Å; H542-E546 IonicContact CE1-OE2 3.23Å; H542-E546 PolarHBondContact CE1-OE2 3.33Å; H542-E546 IonicContact CG-OE1 3.9Å; H542-E546 IonicContact ND1-OE1 3.75Å; H542-E546 PolarHBondContact ND1-OE1 2.91Å; H542-E546 IonicContact ND1-OE2 2.8Å; H542-E546 PolarHBondContact ND1-OE2 2.84Å; H542-E546 WeakPolarHBondContact O-CB 3.3Å; H542-E546 PolarHBondContact O-N 2.78Å; H542-F618 HydrophobicContact CB-CD1 3.84Å; H542-F618 HydrophobicContact CB-CE1 4.28Å; H542-F618 AromaticContact CD2-CD1 3.96Å; H542-F618 PolarHBondContact CE1-O 2.85Å; H542-F618 VanDerWaalsContact CE1-O 3.23Å; H542-F618 AromaticContact CG-CD1 3.73Å; H542-F618 PolarHBondContact NE2-O 2.99Å
543	L	88.5	Confident	84.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-49.2	175.4	-74.3	170.2	0	0	0	111.1	A539 S545 V547 F550 L560 L564 L596 M620 L670	A539-L543 VanDerWaalsContact O-CB 3.31Å; A539-L543 WeakPolarHBondContact O-CB 3.49Å; A539-L543 WeakPolarHBondContact O-CG 3.28Å; A539-L543 PolarHBondContact O-N 3.44Å; L543-S545 PolarHBondContact O-N 2.66Å; L543-V547 HydrophobicContact CD2-CB 4.48Å; L543-V547 HydrophobicContact CD2-CG2 4.14Å; L543-V547 PolarHBondContact O-N 3.28Å; L543-F550 HydrophobicContact CB-CB 4.17Å; L543-F550 HydrophobicContact CB-CG 4.32Å; L543-F550 HydrophobicContact CD2-CD2 3.67Å; L543-F550 HydrophobicContact CD2-CE2 3.85Å; L543-F550 HydrophobicContact CD2-CG 4.26Å; L543-F550 VanDerWaalsContact O-CB 3.27Å; L543-F550 WeakPolarHBondContact O-CB 3.36Å; L543-L560 HydrophobicContact CB-CD2 4.16Å; L543-L560 HydrophobicContact CD1-CD1 4.39Å; L543-L564 HydrophobicContact CD1-CD1 4.35Å; L543-L564 HydrophobicContact CD1-CD2 4.02Å; L543-L564 HydrophobicContact CD1-CG 4.49Å; L543-L596 HydrophobicContact CD1-CD2 4.41Å; L543-L596 HydrophobicContact CD2-CD2 3.84Å; L543-L596 HydrophobicContact CG-CD2 3.97Å; L543-M620 HydrophobicContact CD2-SD 4.25Å; L543-L670 HydrophobicContact CD1-CD2 3.96Å
544	A	86.4	Confident	84.8	Confident	32 Å²	32	56.3 Å²	56.3	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-68.4	-29	-177.3	0	0	0	0	0	114.4	L540 R541 H542 L560	L540-A544 VanDerWaalsContact O-CB 3.3Å; L540-A544 WeakPolarHBondContact O-CB 3.42Å; L540-A544 PolarHBondContact O-N 3.25Å; R541-A544 PolarHBondContact O-N 3.46Å; H542-A544 PolarHBondContact O-N 3.46Å; A544-L560 HydrophobicContact CB-CD2 4.03Å
545	S	85.1	Confident	85.2	Confident	82 Å²	82	52.8 Å²	52.8	57%	0.573	26%	0.256	S	S	*	.	H	α-helix	trans	-101.1	-34.4	-175.2	62.4	0	0	0	0	115.6	R541 H542 L543	R541-S545 WeakPolarHBondContact O-CB 3.29Å; R541-S545 PolarHBondContact O-N 2.88Å; R541-S545 PolarHBondContact O-OG 3.24Å; H542-S545 PolarHBondContact O-N 3.29Å; L543-S545 PolarHBondContact O-N 2.66Å
546	E	87.3	Confident	85.1	Confident	129 Å²	129	52.7 Å²	52.7	60%	0.603	26%	0.256	S	S	*	.	H	α-helix	trans	-105.6	-34.4	-173.2	-67	176.5	-117.3	0	0	112.9	H542 K548	H542-E546 IonicContact CE1-OE1 2.62Å; H542-E546 IonicContact CE1-OE2 3.23Å; H542-E546 PolarHBondContact CE1-OE2 3.33Å; H542-E546 IonicContact CG-OE1 3.9Å; H542-E546 IonicContact ND1-OE1 3.75Å; H542-E546 PolarHBondContact ND1-OE1 2.91Å; H542-E546 IonicContact ND1-OE2 2.8Å; H542-E546 PolarHBondContact ND1-OE2 2.84Å; H542-E546 WeakPolarHBondContact O-CB 3.3Å; H542-E546 PolarHBondContact O-N 2.78Å; E546-K548 PolarHBondContact O-N 3.47Å
547	V	87.6	Confident	84.9	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.048	27%	0.27	C	S	.	.			trans	-90.7	106.8	-172.5	-170	0	0	0	0	110.2	L543 S549 F550 E551 M620 E623	L543-V547 HydrophobicContact CD2-CB 4.48Å; L543-V547 HydrophobicContact CD2-CG2 4.14Å; L543-V547 PolarHBondContact O-N 3.28Å; V547-S549 PolarHBondContact O-N 3.4Å; V547-F550 HydrophobicContact CB-CD2 4.19Å; V547-F550 HydrophobicContact CG1-CD2 3.83Å; V547-F550 PolarHBondContact O-N 2.85Å; V547-E551 PolarHBondContact O-N 2.94Å; V547-M620 HydrophobicContact CG1-CE 4.39Å; V547-M620 HydrophobicContact CG1-CG 4.2Å; V547-M620 HydrophobicContact CG1-SD 4.48Å; V547-M620 HydrophobicContact CG2-CG 3.58Å; V547-M620 HydrophobicContact CG2-SD 4.25Å; V547-E623 HydrophobicContact CG1-CG 4.3Å
548	K	87.3	Confident	84.4	Confident	138 Å²	138	56.1 Å²	56.1	60%	0.6	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.5	-173.7	-66.3	-179.3	179.5	176.2	0	115.1	E546 E551 Y554	E546-K548 PolarHBondContact O-N 3.47Å; K548-E551 WeakPolarHBondContact CA-OE1 3.37Å; K548-Y554 WeakPolarHBondContact O-CD2 3.44Å; K548-Y554 VanDerWaalsContact O-CE2 3.3Å; K548-Y554 WeakPolarHBondContact O-CE2 3.27Å
549	S	86.4	Confident	84.1	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.007	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-17	174	-61.7	0	0	0	0	113.8	V547 E623 L626 Y677	V547-S549 PolarHBondContact O-N 3.4Å; S549-E623 PolarHBondContact OG-OE1 3.34Å; S549-L626 WeakPolarHBondContact OG-CB 3.35Å; S549-Y677 WeakPolarHBondContact CB-OH 3.22Å; S549-Y677 WeakPolarHBondContact O-CE2 3.38Å; S549-Y677 PolarHBondContact O-OH 2.92Å
550	F	87.5	Confident	84	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	26%	0.257	C	S	.	.	S	Bend	trans	-113.2	7.8	-178.4	-72.7	-76.6	0	0	0	113.8	L543 V547 I555 L560 F563 L626 I672 Y677	L543-F550 HydrophobicContact CB-CB 4.17Å; L543-F550 HydrophobicContact CB-CG 4.32Å; L543-F550 HydrophobicContact CD2-CD2 3.67Å; L543-F550 HydrophobicContact CD2-CE2 3.85Å; L543-F550 HydrophobicContact CD2-CG 4.26Å; L543-F550 VanDerWaalsContact O-CB 3.27Å; L543-F550 WeakPolarHBondContact O-CB 3.36Å; V547-F550 HydrophobicContact CB-CD2 4.19Å; V547-F550 HydrophobicContact CG1-CD2 3.83Å; V547-F550 PolarHBondContact O-N 2.85Å; F550-I555 HydrophobicContact CD1-CD1 3.6Å; F550-I555 HydrophobicContact CE1-CD1 3.6Å; F550-L560 HydrophobicContact CD1-CD1 3.4Å; F550-L560 VanDerWaalsContact CD1-CD1 3.4Å; F550-L560 HydrophobicContact CE1-CD1 3.76Å; F550-L560 HydrophobicContact CG-CD1 4.3Å; F550-F563 AromaticContact CE1-CE1 3.94Å; F550-F563 HydrophobicContact CE1-CE1 3.94Å; F550-F563 HydrophobicContact CE1-CZ 4.07Å; F550-F563 HydrophobicContact CZ-CE1 4.05Å; F550-F563 HydrophobicContact CZ-CZ 4.06Å; F550-L626 HydrophobicContact CD2-CD1 4.4Å; F550-L626 HydrophobicContact CE2-CD1 3.58Å; F550-L626 HydrophobicContact CZ-CD1 4.21Å; F550-I672 HydrophobicContact CE2-CD1 3.76Å; F550-I672 HydrophobicContact CZ-CD1 3.65Å; F550-I672 HydrophobicContact CZ-CG2 4.43Å; F550-Y677 HydrophobicContact CD1-CE2 4.28Å; F550-Y677 AromaticContact CE1-CD2 3.85Å; F550-Y677 HydrophobicContact CE1-CD2 3.85Å; F550-Y677 AromaticContact CE1-CE2 3.93Å; F550-Y677 HydrophobicContact CE1-CE2 3.93Å; F550-Y677 HydrophobicContact CE2-CE2 4.43Å; F550-Y677 AromaticContact CZ-CD2 3.78Å; F550-Y677 HydrophobicContact CZ-CD2 3.78Å; F550-Y677 HydrophobicContact CZ-CE2 4.02Å
551	E	85	Confident	83.4	Confident	64 Å²	64	54.8 Å²	54.8	30%	0.299	26%	0.26	S	S	.	.	S	Bend	trans	-51.2	145.9	165.1	-71.9	177.3	-113.4	0	0	111.6	V547 K548 K553 Y554 I555	V547-E551 PolarHBondContact O-N 2.94Å; K548-E551 WeakPolarHBondContact CA-OE1 3.37Å; E551-K553 HydrophobicContact CB-CD 4.21Å; E551-K553 HydrophobicContact CB-CG 4.05Å; E551-K553 PolarHBondContact O-N 3.05Å; E551-K553 IonicContact OE1-NZ 2.76Å; E551-K553 PolarHBondContact OE1-NZ 3.19Å; E551-K553 VanDerWaalsContact OE2-CE 3.29Å; E551-K553 WeakPolarHBondContact OE2-CE 3.21Å; E551-K553 IonicContact OE2-NZ 2.68Å; E551-K553 PolarHBondContact OE2-NZ 2.95Å; E551-Y554 PolarHBondContact O-N 2.86Å; E551-I555 PolarHBondContact O-N 3.45Å
552	E	79.5	Confident	82.8	Confident	142 Å²	142	46.3 Å²	46.3	66%	0.664	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.7	-174.1	-171.1	168.9	-146.9	0	0	114.5	Y554 I555	E552-Y554 PolarHBondContact O-N 3.07Å; E552-I555 WeakPolarHBondContact CA-O 3.49Å
553	K	81.5	Confident	82.3	Confident	123 Å²	123	45.5 Å²	45.5	54%	0.535	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.9	172.7	74.2	-165.2	-180	-157.9	0	114.3	E551	E551-K553 HydrophobicContact CB-CD 4.21Å; E551-K553 HydrophobicContact CB-CG 4.05Å; E551-K553 PolarHBondContact O-N 3.05Å; E551-K553 IonicContact OE1-NZ 2.76Å; E551-K553 PolarHBondContact OE1-NZ 3.19Å; E551-K553 VanDerWaalsContact OE2-CE 3.29Å; E551-K553 WeakPolarHBondContact OE2-CE 3.21Å; E551-K553 IonicContact OE2-NZ 2.68Å; E551-K553 PolarHBondContact OE2-NZ 2.95Å
554	Y	83.5	Confident	81.8	Confident	75 Å²	75	45.8 Å²	45.8	29%	0.294	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-42.8	-179.7	-65.6	-50.2	0	0	0	112.5	K548 E551 E552 N630	K548-Y554 WeakPolarHBondContact O-CD2 3.44Å; K548-Y554 VanDerWaalsContact O-CE2 3.3Å; K548-Y554 WeakPolarHBondContact O-CE2 3.27Å; E551-Y554 PolarHBondContact O-N 2.86Å; E552-Y554 PolarHBondContact O-N 3.07Å; Y554-N630 HydrophobicContact CE1-CB 4.35Å
555	I	84.2	Confident	81	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.227	C	C	.	.	S	Bend	trans	-135	121.7	-179.1	-63.3	172.9	0	0	0	109.4	F550 E551 E552 V559 L560 Y677 A680 R681 T684	F550-I555 HydrophobicContact CD1-CD1 3.6Å; F550-I555 HydrophobicContact CE1-CD1 3.6Å; E551-I555 PolarHBondContact O-N 3.45Å; E552-I555 WeakPolarHBondContact CA-O 3.49Å; I555-V559 HydrophobicContact CG2-CB 4.16Å; I555-V559 HydrophobicContact CG2-CG1 4.28Å; I555-L560 HydrophobicContact CG2-CB 3.96Å; I555-L560 HydrophobicContact CG2-CD1 4.39Å; I555-Y677 HydrophobicContact CD1-CD2 3.73Å; I555-Y677 HydrophobicContact CD1-CE2 3.49Å; I555-Y677 VanDerWaalsContact CD1-CE2 3.49Å; I555-A680 HydrophobicContact CD1-CB 3.62Å; I555-A680 HydrophobicContact CG1-CB 4.15Å; I555-A680 HydrophobicContact CG2-CB 4.44Å; I555-R681 HydrophobicContact CD1-CG 4.19Å; I555-R681 HydrophobicContact CG1-CG 3.81Å; I555-T684 VanDerWaalsContact CA-OG1 3.32Å; I555-T684 WeakPolarHBondContact CA-OG1 3.42Å
556	C	82.2	Confident	80.3	Confident	17 Å²	17	43.3 Å²	43.3	12%	0.115	20%	0.202	C	C	.	.			trans	-68.5	145.5	175.9	-80.1	0	0	0	0	111	S558 V559 L560 T684	C556-S558 VanDerWaalsContact C-N 3.28Å; C556-S558 PolarHBondContact O-N 3.38Å; C556-V559 HydrophobicContact CB-CG2 4.41Å; C556-V559 WeakPolarHBondContact O-CA 3.24Å; C556-V559 WeakPolarHBondContact O-CB 3.16Å; C556-V559 PolarHBondContact O-N 3.44Å; C556-L560 PolarHBondContact O-N 3.05Å; C556-T684 HydrophobicContact CB-CG2 4.07Å; C556-T684 VanDerWaalsContact N-CG2 3.33Å; C556-T684 PolarHBondContact N-OG1 2.85Å; C556-T684 VanDerWaalsContact N-OG1 3.12Å
557	Y	77.8	Confident	79.3	Confident	87 Å²	87	43.7 Å²	43.7	34%	0.341	21%	0.209	S	C	.	.	H	α-helix	trans	-53.2	-40.4	-176.3	-170.1	-88.1	0	0	0	113.7	L540 V559 L560 Q561	L540-Y557 HydrophobicContact CD2-CD2 4.47Å; L540-Y557 HydrophobicContact CD2-CE1 3.76Å; L540-Y557 HydrophobicContact CD2-CE2 3.67Å; L540-Y557 VanDerWaalsContact CD2-OH 3.25Å; L540-Y557 WeakPolarHBondContact CD2-OH 3.22Å; L540-Y557 HydrophobicContact CG-CE2 4.2Å; Y557-V559 VanDerWaalsContact C-N 3.34Å; Y557-V559 PolarHBondContact O-N 2.91Å; Y557-L560 PolarHBondContact O-N 2.83Å; Y557-Q561 VanDerWaalsContact O-CB 3.31Å; Y557-Q561 WeakPolarHBondContact O-CB 3.46Å; Y557-Q561 PolarHBondContact O-N 3.04Å
558	S	71.2	Confident	78.6	Confident	38 Å²	38	43.5 Å²	43.5	27%	0.266	21%	0.207	S	C	.	.	H	α-helix	trans	-60	-38.9	174	49.3	0	0	0	0	113.5	C556 S562 H687	C556-S558 VanDerWaalsContact C-N 3.28Å; C556-S558 PolarHBondContact O-N 3.38Å; S558-S562 PolarHBondContact O-N 2.91Å; S558-S562 VanDerWaalsContact O-N 3.13Å; S558-H687 PolarHBondContact OG-CD2 2.9Å; S558-H687 VanDerWaalsContact OG-CD2 3.22Å; S558-H687 PolarHBondContact OG-NE2 2.85Å
559	V	79	Confident	78.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-76.5	-36.5	177.4	-176.2	0	0	0	0	110.7	I555 C556 Y557 Q561 S562 F563 A680 L683 H687 M732	I555-V559 HydrophobicContact CG2-CB 4.16Å; I555-V559 HydrophobicContact CG2-CG1 4.28Å; C556-V559 HydrophobicContact CB-CG2 4.41Å; C556-V559 WeakPolarHBondContact O-CA 3.24Å; C556-V559 WeakPolarHBondContact O-CB 3.16Å; C556-V559 PolarHBondContact O-N 3.44Å; Y557-V559 VanDerWaalsContact C-N 3.34Å; Y557-V559 PolarHBondContact O-N 2.91Å; V559-Q561 VanDerWaalsContact C-N 3.31Å; V559-Q561 PolarHBondContact O-N 2.88Å; V559-S562 PolarHBondContact O-N 3.27Å; V559-F563 VanDerWaalsContact O-CB 3.24Å; V559-F563 WeakPolarHBondContact O-CB 3.31Å; V559-F563 PolarHBondContact O-N 3.13Å; V559-A680 HydrophobicContact CG1-CB 4.37Å; V559-A680 WeakPolarHBondContact CG1-O 3.15Å; V559-L683 HydrophobicContact CG1-CB 3.75Å; V559-L683 HydrophobicContact CG2-CB 4.37Å; V559-H687 HydrophobicContact CG2-CB 4.32Å; V559-M732 HydrophobicContact CG2-CE 4.19Å
560	L	83.1	Confident	77.8	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-35.4	173.2	-168	59.6	0	0	0	112.1	L540 L543 A544 F550 I555 C556 Y557 F563 L564	L540-L560 HydrophobicContact CD1-CB 4.09Å; L540-L560 HydrophobicContact CD1-CD2 4.16Å; L540-L560 HydrophobicContact CD1-CG 3.87Å; L543-L560 HydrophobicContact CB-CD2 4.16Å; L543-L560 HydrophobicContact CD1-CD1 4.39Å; A544-L560 HydrophobicContact CB-CD2 4.03Å; F550-L560 HydrophobicContact CD1-CD1 3.4Å; F550-L560 VanDerWaalsContact CD1-CD1 3.4Å; F550-L560 HydrophobicContact CE1-CD1 3.76Å; F550-L560 HydrophobicContact CG-CD1 4.3Å; I555-L560 HydrophobicContact CG2-CB 3.96Å; I555-L560 HydrophobicContact CG2-CD1 4.39Å; C556-L560 PolarHBondContact O-N 3.05Å; Y557-L560 PolarHBondContact O-N 2.83Å; L560-F563 HydrophobicContact CD1-CD1 4.06Å; L560-F563 WeakPolarHBondContact O-CB 3.38Å; L560-F563 PolarHBondContact O-N 3.07Å; L560-L564 PolarHBondContact O-N 3.14Å; L560-L564 VanDerWaalsContact O-N 3.09Å
561	Q	74.1	Confident	77.5	Confident	13 Å²	13	42.2 Å²	42.2	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-43.1	173.6	179.8	164.4	15.4	0	0	112	D516 M519 F520 L540 Y557 V559 N565	D516-Q561 PolarHBondContact O-NE2 3.44Å; M519-Q561 HydrophobicContact CB-CG 4.45Å; M519-Q561 HydrophobicContact CE-CG 4.27Å; M519-Q561 HydrophobicContact CG-CG 3.96Å; M519-Q561 HydrophobicContact SD-CB 4.47Å; M519-Q561 HydrophobicContact SD-CG 3.84Å; F520-Q561 HydrophobicContact CD1-CG 4.43Å; F520-Q561 VanDerWaalsContact CD2-NE2 3.28Å; F520-Q561 HydrophobicContact CE1-CG 3.81Å; F520-Q561 HydrophobicContact CE2-CG 3.93Å; F520-Q561 HydrophobicContact CZ-CB 4.2Å; F520-Q561 HydrophobicContact CZ-CG 3.52Å; L540-Q561 HydrophobicContact CD1-CB 4.05Å; Y557-Q561 VanDerWaalsContact O-CB 3.31Å; Y557-Q561 WeakPolarHBondContact O-CB 3.46Å; Y557-Q561 PolarHBondContact O-N 3.04Å; V559-Q561 VanDerWaalsContact C-N 3.31Å; V559-Q561 PolarHBondContact O-N 2.88Å; Q561-N565 PolarHBondContact O-N 3.32Å
562	S	72.2	Confident	77.4	Confident	4 Å²	4	39.6 Å²	39.6	3%	0.028	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-38.4	172.3	-164.8	0	0	0	0	112.2	S558 V559 L564 N565 A566 F733	S558-S562 PolarHBondContact O-N 2.91Å; S558-S562 VanDerWaalsContact O-N 3.13Å; V559-S562 PolarHBondContact O-N 3.27Å; S562-L564 PolarHBondContact O-N 2.9Å; S562-N565 PolarHBondContact O-N 3.28Å; S562-N565 VanDerWaalsContact O-N 3.12Å; S562-A566 PolarHBondContact O-N 3.23Å; S562-F733 VanDerWaalsContact OG-CB 3.23Å; S562-F733 WeakPolarHBondContact OG-CB 3.39Å; S562-F733 PolarHBondContact OG-N 3Å
563	F	79	Confident	77.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-37.2	177.2	177.2	-92.6	0	0	0	113.2	F550 V559 L560 N565 A566 I568 L670 I672 H676 A680 F733	F550-F563 AromaticContact CE1-CE1 3.94Å; F550-F563 HydrophobicContact CE1-CE1 3.94Å; F550-F563 HydrophobicContact CE1-CZ 4.07Å; F550-F563 HydrophobicContact CZ-CE1 4.05Å; F550-F563 HydrophobicContact CZ-CZ 4.06Å; V559-F563 VanDerWaalsContact O-CB 3.24Å; V559-F563 WeakPolarHBondContact O-CB 3.31Å; V559-F563 PolarHBondContact O-N 3.13Å; L560-F563 HydrophobicContact CD1-CD1 4.06Å; L560-F563 WeakPolarHBondContact O-CB 3.38Å; L560-F563 PolarHBondContact O-N 3.07Å; F563-N565 VanDerWaalsContact C-N 3.33Å; F563-A566 PolarHBondContact O-N 3.33Å; F563-I568 HydrophobicContact CD1-CD1 4.06Å; F563-I568 HydrophobicContact CD2-CD1 3.59Å; F563-I568 HydrophobicContact CE1-CD1 3.96Å; F563-I568 HydrophobicContact CE2-CD1 3.49Å; F563-I568 VanDerWaalsContact CE2-CD1 3.49Å; F563-I568 HydrophobicContact CG-CD1 3.9Å; F563-I568 HydrophobicContact CZ-CD1 3.69Å; F563-I568 WeakPolarHBondContact O-CD1 3.45Å; F563-L670 HydrophobicContact CE1-CD2 4.27Å; F563-I672 HydrophobicContact CE1-CD1 4.43Å; F563-I672 HydrophobicContact CE1-CG1 4.17Å; F563-I672 HydrophobicContact CZ-CB 4.47Å; F563-I672 HydrophobicContact CZ-CD1 4.45Å; F563-I672 HydrophobicContact CZ-CG1 3.93Å; F563-I672 HydrophobicContact CZ-CG2 3.86Å; F563-H676 HydrophobicContact CE2-CB 4.08Å; F563-A680 HydrophobicContact CD2-CB 3.87Å; F563-A680 HydrophobicContact CE2-CB 4.19Å; F563-F733 HydrophobicContact CB-CD2 4.41Å; F563-F733 HydrophobicContact CD2-CD2 4.32Å; F563-F733 HydrophobicContact CD2-CE1 4.46Å; F563-F733 AromaticContact CD2-CE2 3.69Å; F563-F733 HydrophobicContact CD2-CE2 3.69Å; F563-F733 AromaticContact CD2-CZ 3.76Å; F563-F733 HydrophobicContact CD2-CZ 3.76Å; F563-F733 HydrophobicContact CE2-CE2 4.48Å; F563-F733 HydrophobicContact CE2-CZ 4.31Å
564	L	78	Confident	77.8	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-77.8	-11.5	175.3	-73.5	175.6	0	0	0	114.7	A539 L540 L543 L560 S562 L670	A539-L564 HydrophobicContact CB-CD1 4.33Å; L540-L564 VanDerWaalsContact CA-CD1 3.49Å; L540-L564 HydrophobicContact CB-CD1 3.63Å; L540-L564 HydrophobicContact CD1-CD1 3.88Å; L540-L564 HydrophobicContact CG-CD1 4.39Å; L543-L564 HydrophobicContact CD1-CD1 4.35Å; L543-L564 HydrophobicContact CD1-CD2 4.02Å; L543-L564 HydrophobicContact CD1-CG 4.49Å; L560-L564 PolarHBondContact O-N 3.14Å; L560-L564 VanDerWaalsContact O-N 3.09Å; S562-L564 PolarHBondContact O-N 2.9Å; L564-L670 HydrophobicContact CD2-CD1 3.96Å; L564-L670 HydrophobicContact CD2-CD2 3.61Å; L564-L670 HydrophobicContact CD2-CG 4.46Å
565	N	69.4	Low	77.9	Confident	56 Å²	56	37 Å²	37	30%	0.299	19%	0.192	S	C	.	.	H	α-helix	trans	-87.8	-15.2	169.9	-76.4	-19.6	0	0	0	112.6	M519 K536 Q561 S562 F563	M519-N565 PolarHBondContact O-ND2 3.18Å; K536-N565 PolarHBondContact NZ-OD1 3.39Å; Q561-N565 PolarHBondContact O-N 3.32Å; S562-N565 PolarHBondContact O-N 3.28Å; S562-N565 VanDerWaalsContact O-N 3.12Å; F563-N565 VanDerWaalsContact C-N 3.33Å
566	A	70.5	Confident	77.8	Confident	6 Å²	6	41.5 Å²	41.5	5%	0.05	22%	0.221	C	C	.	.	S	Bend	trans	-75.2	164.5	177.2	0	0	0	0	0	112.8	S562 F563 I568 F733	S562-A566 PolarHBondContact O-N 3.23Å; F563-A566 PolarHBondContact O-N 3.33Å; A566-I568 HydrophobicContact CB-CD1 4.27Å; A566-I568 HydrophobicContact CB-CG1 4.05Å; A566-I568 PolarHBondContact O-N 3.29Å; A566-F733 HydrophobicContact CB-CD1 3.64Å; A566-F733 HydrophobicContact CB-CE1 3.95Å
567	N	65.9	Low	77.6	Confident	137 Å²	137	50.1 Å²	50.1	73%	0.733	26%	0.256	S	S	*	.	S	Bend	trans	-73.3	49.2	-178	-85.5	-52.4	0	0	0	114.6
568	I	73.8	Confident	77.7	Confident	5 Å²	5	49 Å²	49	3%	0.026	26%	0.256	C	S	.	.			trans	-91.6	-5.6	178.6	-46.3	-173.9	0	0	0	111	F563 A566 G570 L670 K671 I672 H676 F733	F563-I568 HydrophobicContact CD1-CD1 4.06Å; F563-I568 HydrophobicContact CD2-CD1 3.59Å; F563-I568 HydrophobicContact CE1-CD1 3.96Å; F563-I568 HydrophobicContact CE2-CD1 3.49Å; F563-I568 VanDerWaalsContact CE2-CD1 3.49Å; F563-I568 HydrophobicContact CG-CD1 3.9Å; F563-I568 HydrophobicContact CZ-CD1 3.69Å; F563-I568 WeakPolarHBondContact O-CD1 3.45Å; A566-I568 HydrophobicContact CB-CD1 4.27Å; A566-I568 HydrophobicContact CB-CG1 4.05Å; A566-I568 PolarHBondContact O-N 3.29Å; I568-G570 PolarHBondContact O-N 3.47Å; I568-L670 HydrophobicContact CB-CD1 3.76Å; I568-L670 HydrophobicContact CB-CG 4.45Å; I568-L670 HydrophobicContact CG2-CD1 3.76Å; I568-L670 HydrophobicContact CG2-CG 3.88Å; I568-K671 WeakPolarHBondContact CG2-O 3.39Å; I568-K671 PolarHBondContact O-N 3.18Å; I568-I672 HydrophobicContact CG2-CG1 4.2Å; I568-H676 HydrophobicContact CD1-CB 4.36Å; I568-F733 HydrophobicContact CD1-CE1 4.44Å
569	V	77	Confident	78.1	Confident	25 Å²	25	51.8 Å²	51.8	15%	0.152	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	114	-177.2	-170.7	0	0	0	0	111.4	R530 L531	R530-V569 HydrophobicContact CB-CG1 4.05Å; L531-V569 HydrophobicContact CD1-CB 4.16Å; L531-V569 HydrophobicContact CD1-CG1 3.58Å; L531-V569 HydrophobicContact CD1-CG2 3.43Å; L531-V569 VanDerWaalsContact CD1-CG2 3.43Å
570	G	78.9	Confident	78.2	Confident	13 Å²	13	59.2 Å²	59.2	13%	0.134	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142.1	166.8	0	0	0	0	0	112	I568 Y669	I568-G570 PolarHBondContact O-N 3.47Å; G570-Y669 PolarHBondContact N-O 3.45Å; G570-Y669 WeakPolarHBondContact O-CD1 3.44Å; G570-Y669 PolarHBondContact O-N 3.12Å
571	E	83	Confident	78.1	Confident	74 Å²	74	61.9 Å²	61.9	35%	0.346	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.7	166.2	-75.2	174.8	-175.9	0	0	108.2	R530 L667 Q668	R530-E571 WeakPolarHBondContact CD-OE1 3.15Å; R530-E571 IonicContact CZ-OE1 3.94Å; R530-E571 IonicContact CZ-OE2 2.78Å; R530-E571 VanDerWaalsContact CZ-OE2 3.25Å; R530-E571 IonicContact NE-OE1 3.51Å; R530-E571 PolarHBondContact NE-OE1 2.76Å; R530-E571 IonicContact NE-OE2 2.7Å; R530-E571 PolarHBondContact NE-OE2 2.69Å; R530-E571 VanDerWaalsContact NE-OE2 3.1Å; R530-E571 IonicContact NH2-OE1 3.45Å; R530-E571 IonicContact NH2-OE2 2.65Å; R530-E571 PolarHBondContact NH2-OE2 2.96Å; E571-L667 WeakPolarHBondContact CA-O 3.45Å; E571-Q668 HydrophobicContact CG-CG 4.29Å; E571-Q668 PolarHBondContact OE1-NE2 3Å
572	C	82	Confident	78.7	Confident	10 Å²	10	61.4 Å²	61.4	7%	0.068	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.8	167.1	173.6	0	0	0	0	107.2	L584 N666 L667 Y669	C572-L584 HydrophobicContact CB-CD2 4.42Å; C572-N666 CarbonylContact O-C 3.47Å; C572-N666 WeakPolarHBondContact O-CA 3.34Å; C572-L667 HydrophobicContact CB-CB 4.28Å; C572-L667 PolarHBondContact N-O 3.33Å; C572-L667 PolarHBondContact O-N 3.37Å; C572-Y669 HydrophobicContact CB-CE1 3.96Å
573	I	85	Confident	79.5	Confident	131 Å²	131	62.2 Å²	62.2	67%	0.672	33%	0.328	S	S	*	.			trans	-86.7	118.4	172.8	-59	174.3	0	0	0	106.4	N575	I573-N575 PolarHBondContact O-N 3.31Å
574	Y	85.2	Confident	79.9	Confident	89 Å²	89	62.9 Å²	62.9	35%	0.349	33%	0.331	S	S	.	.			trans	-69.6	119.3	-174.1	172.4	-104.4	0	0	0	110.9	P576 N582 A663 S665 N666	Y574-P576 HydrophobicContact CE1-CB 3.88Å; Y574-P576 HydrophobicContact CE1-CG 4.45Å; Y574-N582 WeakPolarHBondContact CD2-OD1 3.12Å; Y574-A663 HydrophobicContact CD2-CB 4.29Å; Y574-A663 WeakPolarHBondContact CD2-O 3.29Å; Y574-A663 VanDerWaalsContact CE2-O 3.27Å; Y574-A663 WeakPolarHBondContact CE2-O 3.31Å; Y574-S665 VanDerWaalsContact CB-C 3.46Å; Y574-N666 PolarHBondContact N-OD1 3.35Å
575	N	85.2	Confident	80.6	Confident	65 Å²	65	62.9 Å²	62.9	35%	0.348	33%	0.331	S	S	.	.			trans	-109.5	104.3	179	-178.3	2.2	0	0	0	109.6	I573 K577 D578 N582	I573-N575 PolarHBondContact O-N 3.31Å; N575-K577 PolarHBondContact O-N 2.91Å; N575-K577 PolarHBondContact OD1-N 3.45Å; N575-D578 HydrophobicContact CB-CB 4.09Å; N575-D578 WeakPolarHBondContact ND2-CB 3.35Å; N575-D578 PolarHBondContact O-N 3.29Å; N575-N582 PolarHBondContact N-OD1 3.29Å; N575-N582 PolarHBondContact O-ND2 3.32Å
576	P	80.5	Confident	81.5	Confident	96 Å²	96	63.9 Å²	63.9	62%	0.623	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	9	-176.6	29.6	-36.7	0	0	0	114.6	Y574	Y574-P576 HydrophobicContact CE1-CB 3.88Å; Y574-P576 HydrophobicContact CE1-CG 4.45Å
577	K	78.9	Confident	82.4	Confident	197 Å²	197	67.5 Å²	67.5	86%	0.857	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-5.1	174.5	-61.9	-177.1	179.6	179.7	0	113.8	N575	N575-K577 PolarHBondContact O-N 2.91Å; N575-K577 PolarHBondContact OD1-N 3.45Å
578	D	80.9	Confident	83.3	Confident	64 Å²	64	63.4 Å²	63.4	34%	0.342	34%	0.34	S	S	.	.			trans	-135.9	90.5	-169.3	-171	-19.2	0	0	0	110.4	N575 E580 A581 N582	N575-D578 HydrophobicContact CB-CB 4.09Å; N575-D578 WeakPolarHBondContact ND2-CB 3.35Å; N575-D578 PolarHBondContact O-N 3.29Å; D578-E580 PolarHBondContact O-N 2.81Å; D578-E580 PolarHBondContact OD1-N 2.88Å; D578-A581 HydrophobicContact CB-CB 4.03Å; D578-A581 PolarHBondContact OD1-N 3.44Å; D578-A581 WeakPolarHBondContact OD2-CB 3.36Å; D578-N582 VanDerWaalsContact O-CG 3.22Å; D578-N582 PolarHBondContact O-N 2.94Å; D578-N582 PolarHBondContact O-ND2 2.95Å
579	D	78.4	Confident	84.1	Confident	97 Å²	97	68.3 Å²	68.3	52%	0.519	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.8	-178.2	-112.6	43.9	0	0	0	112.9	T583 K662	D579-T583 PolarHBondContact O-N 2.82Å; D579-T583 PolarHBondContact O-OG1 2.67Å; D579-K662 IonicContact OD2-NZ 2.79Å; D579-K662 PolarHBondContact OD2-NZ 2.93Å
580	E	80.8	Confident	84.6	Confident	155 Å²	155	74.5 Å²	74.5	72%	0.724	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-46.5	177	-65.2	-169.4	171.1	0	0	110.6	D578 N582 T583	D578-E580 PolarHBondContact O-N 2.81Å; D578-E580 PolarHBondContact OD1-N 2.88Å; E580-N582 PolarHBondContact O-N 3.45Å; E580-T583 PolarHBondContact O-N 2.82Å
581	A	82	Confident	85	Confident	57 Å²	57	74.3 Å²	74.3	47%	0.471	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.5	174.6	0	0	0	0	0	113.5	D578	D578-A581 HydrophobicContact CB-CB 4.03Å; D578-A581 PolarHBondContact OD1-N 3.44Å; D578-A581 WeakPolarHBondContact OD2-CB 3.36Å
582	N	86.5	Confident	85.3	Confident	3 Å²	3	74 Å²	74	2%	0.016	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.9	173.9	-64.9	-32.4	0	0	0	113.7	Y574 N575 D578 E580 K662 A663	Y574-N582 WeakPolarHBondContact CD2-OD1 3.12Å; N575-N582 PolarHBondContact N-OD1 3.29Å; N575-N582 PolarHBondContact O-ND2 3.32Å; D578-N582 VanDerWaalsContact O-CG 3.22Å; D578-N582 PolarHBondContact O-N 2.94Å; D578-N582 PolarHBondContact O-ND2 2.95Å; E580-N582 PolarHBondContact O-N 3.45Å; N582-K662 CarbonylContact O-C 3.59Å; N582-K662 WeakPolarHBondContact O-CA 3.39Å; N582-A663 HydrophobicContact CB-CB 4.36Å; N582-A663 PolarHBondContact O-N 2.85Å
583	T	88.5	Confident	85.6	Confident	21 Å²	21	75.6 Å²	75.6	13%	0.129	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.6	-172.4	-59.2	0	0	0	0	111.9	D579 E580 Y585 H586 T660 L661 K662	D579-T583 PolarHBondContact O-N 2.82Å; D579-T583 PolarHBondContact O-OG1 2.67Å; E580-T583 PolarHBondContact O-N 2.82Å; T583-Y585 VanDerWaalsContact CG2-O 3.26Å; T583-Y585 WeakPolarHBondContact CG2-O 3.45Å; T583-H586 WeakPolarHBondContact CG2-NE2 3.15Å; T583-T660 HydrophobicContact CG2-CG2 4.01Å; T583-L661 CarbonylContact C-O 3.54Å; T583-K662 HydrophobicContact CG2-CG 4.41Å; T583-K662 WeakPolarHBondContact OG1-CE 3.48Å
584	L	88.3	Confident	85.9	Confident	15 Å²	15	69.4 Å²	69.4	8%	0.079	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-25.8	-179.5	-64.5	179.4	0	0	0	113.6	C572 Y593 I595 L661 L667 Y669	C572-L584 HydrophobicContact CB-CD2 4.42Å; L584-Y593 PolarHBondContact O-OH 2.96Å; L584-I595 HydrophobicContact CB-CD1 4.04Å; L584-I595 HydrophobicContact CD1-CD1 4.36Å; L584-L661 HydrophobicContact CB-CB 4.38Å; L584-L661 HydrophobicContact CB-CD2 3.76Å; L584-L661 HydrophobicContact CB-CG 3.95Å; L584-L661 HydrophobicContact CD1-CD2 3.96Å; L584-L661 HydrophobicContact CD1-CG 4.28Å; L584-L661 HydrophobicContact CG-CD2 4.49Å; L584-L661 PolarHBondContact N-O 2.83Å; L584-L667 HydrophobicContact CD1-CD1 3.68Å; L584-Y669 HydrophobicContact CD1-CD1 4.49Å; L584-Y669 HydrophobicContact CD1-CE1 4.43Å; L584-Y669 HydrophobicContact CD2-CE1 3.95Å; L584-Y669 HydrophobicContact CD2-CE2 4.38Å
585	Y	91.7	Very high	86.2	Confident	5 Å²	5	65.2 Å²	65.2	2%	0.02	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	136.9	167.9	-69.1	-74.6	0	0	0	109	T583 S591 Y593 A594 I595 F621 F655 P657 Y659 T660 L661	T583-Y585 VanDerWaalsContact CG2-O 3.26Å; T583-Y585 WeakPolarHBondContact CG2-O 3.45Å; Y585-S591 WeakPolarHBondContact CE1-OG 3.42Å; Y585-Y593 HydrophobicContact CD1-CE2 4.18Å; Y585-Y593 AromaticContact CE1-CD2 3.98Å; Y585-Y593 HydrophobicContact CE1-CD2 3.98Å; Y585-Y593 AromaticContact CE1-CE2 3.46Å; Y585-Y593 HydrophobicContact CE1-CE2 3.46Å; Y585-Y593 VanDerWaalsContact CE1-CE2 3.46Å; Y585-Y593 AromaticContact CZ-CD2 3.97Å; Y585-Y593 AromaticContact CZ-CE2 3.7Å; Y585-Y593 PolarHBondContact OH-O 3.37Å; Y585-A594 WeakPolarHBondContact OH-CA 3.4Å; Y585-I595 HydrophobicContact CE2-CB 4.12Å; Y585-I595 HydrophobicContact CE2-CD1 3.86Å; Y585-I595 HydrophobicContact CE2-CG1 4.1Å; Y585-I595 PolarHBondContact OH-N 3.41Å; Y585-F621 HydrophobicContact CD2-CB 4.45Å; Y585-F621 HydrophobicContact CE2-CB 3.71Å; Y585-F655 HydrophobicContact CD1-CZ 4.2Å; Y585-F655 AromaticContact CE1-CE1 3.74Å; Y585-F655 HydrophobicContact CE1-CE1 3.74Å; Y585-F655 AromaticContact CE1-CZ 3.67Å; Y585-F655 HydrophobicContact CE1-CZ 3.67Å; Y585-F655 AromaticContact CZ-CZ 3.98Å; Y585-P657 HydrophobicContact CD1-CG 4.43Å; Y585-Y659 AromaticContact CD2-CE2 3.85Å; Y585-Y659 HydrophobicContact CD2-CE2 3.85Å; Y585-Y659 HydrophobicContact CE2-CE2 4.45Å; Y585-Y659 HydrophobicContact CG-CE2 4.23Å; Y585-T660 CarbonylContact O-C 3.59Å; Y585-T660 VanDerWaalsContact O-CA 3.27Å; Y585-T660 WeakPolarHBondContact O-CA 3.16Å; Y585-T660 WeakPolarHBondContact O-CG2 3.44Å; Y585-L661 HydrophobicContact CD2-CB 3.94Å; Y585-L661 HydrophobicContact CD2-CD2 3.63Å; Y585-L661 HydrophobicContact CD2-CG 4.42Å; Y585-L661 HydrophobicContact CE2-CD2 4.02Å; Y585-L661 PolarHBondContact N-O 3.5Å; Y585-L661 PolarHBondContact O-N 3.42Å
586	H	89.2	Confident	86.5	Confident	77 Å²	77	62.1 Å²	62.1	36%	0.356	32%	0.321	S	S	.	.			trans	-100.3	133.2	167.4	-60.7	-102.3	0	0	0	109.7	T583 G588 Q589 P657	T583-H586 WeakPolarHBondContact CG2-NE2 3.15Å; H586-G588 PolarHBondContact O-N 3.45Å; H586-Q589 HydrophobicContact CB-CB 4.05Å; H586-Q589 PolarHBondContact CD2-OE1 2.79Å; H586-Q589 WeakPolarHBondContact O-CB 3.3Å; H586-Q589 PolarHBondContact O-N 3.46Å; H586-P657 WeakPolarHBondContact O-CG 3.14Å
587	M	88.8	Confident	87	Confident	82 Å²	82	57.5 Å²	57.5	40%	0.404	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	129.2	173.4	-177.4	-175.6	-176	0	0	110.6	Q589 V608 Y659 T660	M587-Q589 VanDerWaalsContact C-N 3.33Å; M587-Q589 PolarHBondContact O-N 3.19Å; M587-V608 HydrophobicContact CE-CG1 4.14Å; M587-Y659 WeakPolarHBondContact CA-O 3.34Å; M587-Y659 PolarHBondContact N-O 2.82Å; M587-T660 WeakPolarHBondContact CB-OG1 3.31Å; M587-T660 PolarHBondContact N-OG1 3.36Å
588	G	85.7	Confident	87.5	Confident	50 Å²	50	48.3 Å²	48.3	52%	0.515	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	7.5	-179.3	0	0	0	0	0	115.8	H586 L656 P657	H586-G588 PolarHBondContact O-N 3.45Å; G588-L656 VanDerWaalsContact C-CD1 3.42Å; G588-L656 VanDerWaalsContact O-CD1 3.26Å; G588-L656 WeakPolarHBondContact O-CD1 3.39Å; G588-P657 PolarHBondContact N-O 3.49Å
589	Q	88.9	Confident	88	Confident	109 Å²	109	49.9 Å²	49.9	51%	0.509	26%	0.257	S	S	.	.			trans	-99.8	120.3	172.9	-169.5	-177.5	14.7	0	0	111.9	H586 M587 S591 P657	H586-Q589 HydrophobicContact CB-CB 4.05Å; H586-Q589 PolarHBondContact CD2-OE1 2.79Å; H586-Q589 WeakPolarHBondContact O-CB 3.3Å; H586-Q589 PolarHBondContact O-N 3.46Å; M587-Q589 VanDerWaalsContact C-N 3.33Å; M587-Q589 PolarHBondContact O-N 3.19Å; Q589-S591 PolarHBondContact O-N 3Å; Q589-P657 WeakPolarHBondContact O-CD 3.26Å
590	W	88.4	Confident	88.4	Confident	155 Å²	155	46.4 Å²	46.4	59%	0.587	25%	0.245	S	C	*	.			trans	-57.3	129.8	176.4	-71.5	100.8	0	0	0	112.4	R654 F655 L656	W590-R654 HydrophobicContact CE3-CB 3.68Å; W590-R654 HydrophobicContact CZ3-CB 4.19Å; W590-F655 WeakPolarHBondContact CA-O 3.22Å; W590-L656 HydrophobicContact CD2-CB 4.47Å; W590-L656 HydrophobicContact CD2-CD1 3.98Å; W590-L656 HydrophobicContact CE3-CB 4.23Å; W590-L656 HydrophobicContact CG-CD1 4.04Å; W590-L656 HydrophobicContact CZ3-CB 4.26Å
591	S	87.7	Confident	88.9	Confident	9 Å²	9	45.2 Å²	45.2	6%	0.063	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-136.6	153.2	178.6	51.5	0	0	0	0	112.2	Y585 Q589 R654 F655	Y585-S591 WeakPolarHBondContact CE1-OG 3.42Å; Q589-S591 PolarHBondContact O-N 3Å; S591-R654 CarbonylContact O-C 3.57Å; S591-R654 WeakPolarHBondContact O-CA 3.47Å; S591-F655 PolarHBondContact N-O 2.81Å; S591-F655 PolarHBondContact O-N 2.96Å; S591-F655 WeakPolarHBondContact OG-CD1 3.42Å; S591-F655 WeakPolarHBondContact OG-CE1 3.3Å
592	N	87.7	Confident	89.4	Confident	66 Å²	66	42.5 Å²	42.5	35%	0.353	21%	0.211	S	C	.	.			trans	-122.9	22.4	-171	67.7	-28.3	0	0	0	113	R654 A674	N592-R654 HydrophobicContact CB-CG 4.49Å; N592-A674 PolarHBondContact O-N 3.46Å
593	Y	89.5	Confident	89.7	Confident	45 Å²	45	44.3 Å²	44.3	18%	0.176	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.8	179.6	56.1	-95	0	0	0	111.4	L584 Y585 I595 K671 I672	L584-Y593 PolarHBondContact O-OH 2.96Å; Y585-Y593 HydrophobicContact CD1-CE2 4.18Å; Y585-Y593 AromaticContact CE1-CD2 3.98Å; Y585-Y593 HydrophobicContact CE1-CD2 3.98Å; Y585-Y593 AromaticContact CE1-CE2 3.46Å; Y585-Y593 HydrophobicContact CE1-CE2 3.46Å; Y585-Y593 VanDerWaalsContact CE1-CE2 3.46Å; Y585-Y593 AromaticContact CZ-CD2 3.97Å; Y585-Y593 AromaticContact CZ-CE2 3.7Å; Y585-Y593 PolarHBondContact OH-O 3.37Å; Y593-I595 HydrophobicContact CD2-CD1 4.2Å; Y593-I595 HydrophobicContact CD2-CG1 4Å; Y593-I595 HydrophobicContact CE2-CD1 3.84Å; Y593-I595 HydrophobicContact CE2-CG1 4.16Å; Y593-K671 HydrophobicContact CD2-CD 4.41Å; Y593-K671 HydrophobicContact CD2-CG 3.99Å; Y593-K671 HydrophobicContact CG-CG 4.16Å; Y593-I672 CarbonylContact C-O 3.52Å; Y593-I672 WeakPolarHBondContact CA-O 3.37Å; Y593-I672 WeakPolarHBondContact CB-O 3.24Å
594	A	91.2	Very high	89.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	156.3	166.8	0	0	0	0	0	110.2	Y585 M620 F621 L626 I672	Y585-A594 WeakPolarHBondContact OH-CA 3.4Å; A594-M620 HydrophobicContact CB-CE 4.05Å; A594-F621 CarbonylContact C-O 3.57Å; A594-F621 VanDerWaalsContact CA-O 3.27Å; A594-F621 WeakPolarHBondContact CA-O 3.42Å; A594-F621 WeakPolarHBondContact CB-O 3.25Å; A594-L626 HydrophobicContact CB-CD1 4.14Å; A594-L626 HydrophobicContact CB-CD2 4.23Å; A594-L626 HydrophobicContact CB-CG 4.11Å; A594-I672 HydrophobicContact CB-CB 4.45Å; A594-I672 PolarHBondContact N-O 2.92Å; A594-I672 PolarHBondContact O-N 3.11Å
595	I	91.5	Very high	90	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.7	177.3	-73.4	-178.1	0	0	0	109.6	L584 Y585 Y593 L597 F621 Y669 L670	L584-I595 HydrophobicContact CB-CD1 4.04Å; L584-I595 HydrophobicContact CD1-CD1 4.36Å; Y585-I595 HydrophobicContact CE2-CB 4.12Å; Y585-I595 HydrophobicContact CE2-CD1 3.86Å; Y585-I595 HydrophobicContact CE2-CG1 4.1Å; Y585-I595 PolarHBondContact OH-N 3.41Å; Y593-I595 HydrophobicContact CD2-CD1 4.2Å; Y593-I595 HydrophobicContact CD2-CG1 4Å; Y593-I595 HydrophobicContact CE2-CD1 3.84Å; Y593-I595 HydrophobicContact CE2-CG1 4.16Å; I595-L597 HydrophobicContact CG2-CD2 3.98Å; I595-F621 HydrophobicContact CB-CB 4.43Å; I595-F621 PolarHBondContact N-O 3.39Å; I595-F621 PolarHBondContact O-N 2.95Å; I595-Y669 HydrophobicContact CD1-CD2 4.04Å; I595-Y669 HydrophobicContact CD1-CE2 3.9Å; I595-Y669 HydrophobicContact CG1-CD2 4.04Å; I595-Y669 HydrophobicContact CG1-CE2 4.26Å; I595-Y669 HydrophobicContact CG2-CD2 3.84Å; I595-Y669 HydrophobicContact CG2-CG 4.2Å; I595-L670 WeakPolarHBondContact CA-O 3.44Å
596	L	91.8	Very high	89.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.8	162.7	179.3	53.8	0	0	0	108.8	L543 L598 M620 Y669 L670	L543-L596 HydrophobicContact CD1-CD2 4.41Å; L543-L596 HydrophobicContact CD2-CD2 3.84Å; L543-L596 HydrophobicContact CG-CD2 3.97Å; L596-L598 HydrophobicContact CD2-CD2 3.94Å; L596-L598 HydrophobicContact CG-CD2 4.02Å; L596-M620 HydrophobicContact CB-SD 3.62Å; L596-M620 HydrophobicContact CD1-CG 4.04Å; L596-M620 HydrophobicContact CD1-SD 3.85Å; L596-M620 HydrophobicContact CD2-SD 4.37Å; L596-M620 HydrophobicContact CG-SD 4.14Å; L596-Y669 CarbonylContact O-C 3.54Å; L596-Y669 WeakPolarHBondContact O-CA 3.44Å; L596-Y669 VanDerWaalsContact O-CB 3.23Å; L596-Y669 WeakPolarHBondContact O-CB 3.45Å; L596-L670 HydrophobicContact CB-CB 4.03Å; L596-L670 PolarHBondContact N-O 3.12Å; L596-L670 VanDerWaalsContact N-O 3.09Å; L596-L670 PolarHBondContact O-N 2.82Å
597	L	91.6	Very high	89.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.3	169.2	-59.2	-175.1	0	0	0	109.7	I595 A602 A615 G616 F618 L619 F621 L667	I595-L597 HydrophobicContact CG2-CD2 3.98Å; L597-A602 HydrophobicContact CD1-CB 3.85Å; L597-A615 HydrophobicContact CD1-CB 4.03Å; L597-G616 WeakPolarHBondContact CD1-O 3.49Å; L597-F618 WeakPolarHBondContact O-CA 3.48Å; L597-F618 PolarHBondContact O-N 3.03Å; L597-L619 PolarHBondContact N-O 3.37Å; L597-L619 VanDerWaalsContact N-O 3.09Å; L597-F621 HydrophobicContact CD1-CE2 3.83Å; L597-F621 HydrophobicContact CG-CD2 4.42Å; L597-F621 HydrophobicContact CG-CE2 4Å; L597-L667 HydrophobicContact CD2-CD1 4.26Å; L597-L667 HydrophobicContact CD2-CD2 4.3Å
598	L	89.2	Confident	89.3	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-40.8	-177	-63.2	168.3	0	0	0	112	L531 A539 L596 P617 Q668 L670	L531-L598 HydrophobicContact CD1-CD1 4.33Å; L531-L598 HydrophobicContact CD2-CD1 4.09Å; A539-L598 HydrophobicContact CB-CD2 3.72Å; L596-L598 HydrophobicContact CD2-CD2 3.94Å; L596-L598 HydrophobicContact CG-CD2 4.02Å; L598-P617 WeakPolarHBondContact O-CB 3.35Å; L598-Q668 HydrophobicContact CB-CB 4.45Å; L598-Q668 WeakPolarHBondContact CB-O 3.39Å; L598-Q668 PolarHBondContact N-O 3.18Å; L598-L670 HydrophobicContact CD1-CB 4.19Å
599	Q	90.1	Very high	89.2	Confident	97 Å²	97	55 Å²	55	45%	0.453	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.9	171.2	-65.5	-169.2	-17.6	0	0	110.8	L535 L667 Q668	L535-Q599 HydrophobicContact CD2-CG 3.78Å; Q599-L667 WeakPolarHBondContact O-CA 3.34Å; Q599-L667 WeakPolarHBondContact O-CD2 3.45Å; Q599-Q668 HydrophobicContact CB-CB 4.14Å; Q599-Q668 HydrophobicContact CB-CG 4.45Å; Q599-Q668 PolarHBondContact N-O 3.3Å; Q599-Q668 VanDerWaalsContact N-O 3.12Å; Q599-Q668 PolarHBondContact O-N 3.06Å; Q599-Q668 VanDerWaalsContact O-N 3.07Å
600	G	87.6	Confident	88.9	Confident	25 Å²	25	50.8 Å²	50.8	26%	0.258	26%	0.259	S	S	.	.	S	Bend	trans	89.3	-169.8	-179.4	0	0	0	0	0	113.4	S665 N666	G600-S665 VanDerWaalsContact CA-OG 3.22Å; G600-S665 WeakPolarHBondContact CA-OG 3.38Å; G600-N666 WeakPolarHBondContact CA-O 3.11Å
601	R	91.5	Very high	89	Confident	130 Å²	130	48.3 Å²	48.3	49%	0.491	26%	0.256	S	S	.	.			trans	-135	141.2	-175.5	-58.6	-178.3	-61.6	146.7	-3.2	111.3	E614 A615 C664 S665	R601-E614 HydrophobicContact CB-CG 4.45Å; R601-E614 WeakPolarHBondContact CB-OE1 3.34Å; R601-E614 WeakPolarHBondContact CD-OE1 3.37Å; R601-E614 IonicContact CZ-OE1 3.33Å; R601-E614 IonicContact NE-OE1 2.58Å; R601-E614 PolarHBondContact NE-OE1 3.49Å; R601-E614 IonicContact NH1-OE1 2.69Å; R601-E614 PolarHBondContact NH1-OE1 2.71Å; R601-E614 IonicContact NH1-OE2 2.78Å; R601-E614 PolarHBondContact NH1-OE2 3.38Å; R601-A615 WeakPolarHBondContact CA-O 3.31Å; R601-C664 PolarHBondContact O-N 3.44Å; R601-S665 PolarHBondContact N-OG 2.66Å; R601-S665 PolarHBondContact O-N 3.16Å
602	A	91.6	Very high	89.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.5	179.8	0	0	0	0	0	110.5	L597 E614 A615 L661 K662 L667	L597-A602 HydrophobicContact CD1-CB 3.85Å; A602-E614 CarbonylContact O-C 3.59Å; A602-A615 PolarHBondContact N-O 3.11Å; A602-A615 PolarHBondContact O-N 2.92Å; A602-L661 HydrophobicContact CB-CD1 3.62Å; A602-K662 CarbonylContact C-O 3.51Å; A602-K662 WeakPolarHBondContact CA-O 3.38Å; A602-K662 VanDerWaalsContact CB-O 3.3Å; A602-K662 WeakPolarHBondContact CB-O 3.27Å; A602-L667 HydrophobicContact CB-CD1 4.09Å; A602-L667 HydrophobicContact CB-CD2 4.48Å
603	V	92.2	Very high	89.2	Confident	40 Å²	40	54 Å²	54	24%	0.242	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.1	166.4	151.3	0	0	0	0	109.3	I612 F613 K662 C664	V603-I612 HydrophobicContact CG1-CG2 3.89Å; V603-I612 HydrophobicContact CG2-CG2 4.43Å; V603-F613 WeakPolarHBondContact CA-O 3.47Å; V603-K662 PolarHBondContact N-O 3.35Å; V603-K662 PolarHBondContact O-N 2.97Å; V603-C664 VanDerWaalsContact CB-SG 3.51Å; V603-C664 WeakPolarHBondContact CG2-SG 3.41Å; V603-C664 PolarHBondContact N-SG 3.47Å
604	V	92.4	Very high	89.4	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130	176	-169.9	0	0	0	0	108.4	I606 I612 F613 A615 F621 Y659 T660 L661	V604-I606 HydrophobicContact CG1-CG1 4.35Å; V604-I612 CarbonylContact O-C 3.52Å; V604-I612 WeakPolarHBondContact O-CA 3.47Å; V604-F613 HydrophobicContact CB-CD1 3.66Å; V604-F613 HydrophobicContact CB-CD2 4.44Å; V604-F613 HydrophobicContact CB-CE1 3.3Å; V604-F613 HydrophobicContact CB-CE2 4.15Å; V604-F613 HydrophobicContact CB-CG 4.23Å; V604-F613 HydrophobicContact CB-CZ 3.59Å; V604-F613 HydrophobicContact CG1-CD1 4.1Å; V604-F613 HydrophobicContact CG1-CE1 3.39Å; V604-F613 HydrophobicContact CG1-CZ 3.84Å; V604-F613 HydrophobicContact CG2-CD1 4.42Å; V604-F613 HydrophobicContact CG2-CD2 4.43Å; V604-F613 HydrophobicContact CG2-CE1 3.86Å; V604-F613 HydrophobicContact CG2-CE2 3.86Å; V604-F613 HydrophobicContact CG2-CZ 3.55Å; V604-F613 PolarHBondContact N-O 3.42Å; V604-F613 PolarHBondContact O-N 3.26Å; V604-A615 HydrophobicContact CG2-CB 3.88Å; V604-F621 HydrophobicContact CG1-CE1 4.22Å; V604-F621 HydrophobicContact CG2-CE1 3.74Å; V604-F621 HydrophobicContact CG2-CZ 3.6Å; V604-Y659 HydrophobicContact CG1-CD2 4.07Å; V604-Y659 HydrophobicContact CG1-CG 4.12Å; V604-T660 CarbonylContact C-O 3.51Å; V604-T660 WeakPolarHBondContact CA-O 2.97Å; V604-L661 HydrophobicContact CG2-CD1 3.65Å
605	Q	91.8	Very high	89.4	Confident	79 Å²	79	56.9 Å²	56.9	37%	0.369	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	105.4	175.6	-171.4	176.2	15.6	0	0	108.6	L611 I612 Y659 T660	Q605-L611 CarbonylContact C-O 3.56Å; Q605-L611 WeakPolarHBondContact CA-O 3.39Å; Q605-I612 HydrophobicContact CB-CG1 4.41Å; Q605-I612 HydrophobicContact CG-CG1 4.16Å; Q605-Y659 CarbonylContact O-C 3.59Å; Q605-Y659 WeakPolarHBondContact O-CA 3.36Å; Q605-Y659 WeakPolarHBondContact O-CB 3.28Å; Q605-T660 PolarHBondContact N-O 3.04Å; Q605-T660 PolarHBondContact O-N 3.47Å
606	I	89.5	Confident	89.3	Confident	66 Å²	66	58.3 Å²	58.3	34%	0.338	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.7	-178.3	-51.4	168.2	0	0	0	110.9	V604 G610 L611 F613	V604-I606 HydrophobicContact CG1-CG1 4.35Å; I606-G610 PolarHBondContact O-N 2.91Å; I606-L611 PolarHBondContact N-O 2.83Å; I606-L611 PolarHBondContact O-N 3.03Å; I606-F613 HydrophobicContact CD1-CD1 3.63Å; I606-F613 HydrophobicContact CD1-CE1 3.52Å; I606-F613 HydrophobicContact CG1-CD1 3.88Å; I606-F613 HydrophobicContact CG1-CE1 3.69Å
607	G	82.4	Confident	89.3	Confident	22 Å²	22	61.4 Å²	61.4	23%	0.227	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	178.8	156.7	0	0	0	0	0	115.4	E609 G610 D658	G607-E609 PolarHBondContact O-N 3.44Å; G607-G610 PolarHBondContact O-N 2.84Å; G607-D658 WeakPolarHBondContact CA-O 3.36Å; G607-D658 PolarHBondContact N-O 3.46Å
608	V	82.3	Confident	89.2	Confident	146 Å²	146	64.5 Å²	64.5	89%	0.885	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.6	-178.2	-62.2	0	0	0	0	113.5	M587 G610	M587-V608 HydrophobicContact CE-CG1 4.14Å; V608-G610 VanDerWaalsContact C-N 3.28Å
609	E	84	Confident	89.3	Confident	161 Å²	161	67.7 Å²	67.7	75%	0.752	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-15.8	171.4	-64.4	-179	-178.7	0	0	112.4	G607 L611	G607-E609 PolarHBondContact O-N 3.44Å; E609-L611 HydrophobicContact CB-CG 4.09Å
610	G	83.1	Confident	89.3	Confident	21 Å²	21	65.1 Å²	65.1	22%	0.216	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	33.9	179	0	0	0	0	0	113.8	I606 G607 V608 I612	I606-G610 PolarHBondContact O-N 2.91Å; G607-G610 PolarHBondContact O-N 2.84Å; V608-G610 VanDerWaalsContact C-N 3.28Å; G610-I612 PolarHBondContact O-N 3.35Å
611	L	89.4	Confident	89.5	Confident	102 Å²	102	64.5 Å²	64.5	53%	0.534	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	119.1	-177.6	-67.3	175.5	0	0	0	110.9	Q605 I606 E609	Q605-L611 CarbonylContact C-O 3.56Å; Q605-L611 WeakPolarHBondContact CA-O 3.39Å; I606-L611 PolarHBondContact N-O 2.83Å; I606-L611 PolarHBondContact O-N 3.03Å; E609-L611 HydrophobicContact CB-CG 4.09Å
612	I	90.5	Very high	89.4	Confident	121 Å²	121	58.6 Å²	58.6	62%	0.621	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	127	-177.5	-69.9	168.9	0	0	0	110.3	V603 V604 Q605 G610	V603-I612 HydrophobicContact CG1-CG2 3.89Å; V603-I612 HydrophobicContact CG2-CG2 4.43Å; V604-I612 CarbonylContact O-C 3.52Å; V604-I612 WeakPolarHBondContact O-CA 3.47Å; Q605-I612 HydrophobicContact CB-CG1 4.41Å; Q605-I612 HydrophobicContact CG-CG1 4.16Å; G610-I612 PolarHBondContact O-N 3.35Å
613	F	90.9	Very high	89.3	Confident	74 Å²	74	60.7 Å²	60.7	33%	0.325	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155.2	167.4	82.3	-93.9	0	0	0	111.8	V603 V604 I606 A615 L619 F621	V603-F613 WeakPolarHBondContact CA-O 3.47Å; V604-F613 HydrophobicContact CB-CD1 3.66Å; V604-F613 HydrophobicContact CB-CD2 4.44Å; V604-F613 HydrophobicContact CB-CE1 3.3Å; V604-F613 HydrophobicContact CB-CE2 4.15Å; V604-F613 HydrophobicContact CB-CG 4.23Å; V604-F613 HydrophobicContact CB-CZ 3.59Å; V604-F613 HydrophobicContact CG1-CD1 4.1Å; V604-F613 HydrophobicContact CG1-CE1 3.39Å; V604-F613 HydrophobicContact CG1-CZ 3.84Å; V604-F613 HydrophobicContact CG2-CD1 4.42Å; V604-F613 HydrophobicContact CG2-CD2 4.43Å; V604-F613 HydrophobicContact CG2-CE1 3.86Å; V604-F613 HydrophobicContact CG2-CE2 3.86Å; V604-F613 HydrophobicContact CG2-CZ 3.55Å; V604-F613 PolarHBondContact N-O 3.42Å; V604-F613 PolarHBondContact O-N 3.26Å; I606-F613 HydrophobicContact CD1-CD1 3.63Å; I606-F613 HydrophobicContact CD1-CE1 3.52Å; I606-F613 HydrophobicContact CG1-CD1 3.88Å; I606-F613 HydrophobicContact CG1-CE1 3.69Å; F613-A615 HydrophobicContact CE2-CB 3.91Å; F613-L619 HydrophobicContact CE2-CD2 4.06Å; F613-L619 HydrophobicContact CZ-CD2 4.33Å; F613-F621 HydrophobicContact CZ-CE1 4.45Å
614	E	92.4	Very high	89.1	Confident	104 Å²	104	60.7 Å²	60.7	49%	0.486	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.8	174.5	-173.6	169.9	-157.3	0	0	110.2	R601 A602	R601-E614 HydrophobicContact CB-CG 4.45Å; R601-E614 WeakPolarHBondContact CB-OE1 3.34Å; R601-E614 WeakPolarHBondContact CD-OE1 3.37Å; R601-E614 IonicContact CZ-OE1 3.33Å; R601-E614 IonicContact NE-OE1 2.58Å; R601-E614 PolarHBondContact NE-OE1 3.49Å; R601-E614 IonicContact NH1-OE1 2.69Å; R601-E614 PolarHBondContact NH1-OE1 2.71Å; R601-E614 IonicContact NH1-OE2 2.78Å; R601-E614 PolarHBondContact NH1-OE2 3.38Å; A602-E614 CarbonylContact O-C 3.59Å
615	A	90.6	Very high	88.9	Confident	2 Å²	2	60.7 Å²	60.7	2%	0.017	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.6	177.1	0	0	0	0	0	110.8	L597 R601 A602 V604 F613 L619 F621	L597-A615 HydrophobicContact CD1-CB 4.03Å; R601-A615 WeakPolarHBondContact CA-O 3.31Å; A602-A615 PolarHBondContact N-O 3.11Å; A602-A615 PolarHBondContact O-N 2.92Å; V604-A615 HydrophobicContact CG2-CB 3.88Å; F613-A615 HydrophobicContact CE2-CB 3.91Å; A615-L619 HydrophobicContact CB-CD2 3.92Å; A615-F621 HydrophobicContact CB-CE2 4.31Å; A615-F621 HydrophobicContact CB-CZ 3.84Å
616	G	90.3	Very high	88.8	Confident	30 Å²	30	56.9 Å²	56.9	31%	0.309	32%	0.317	S	S	.	.			trans	-87.3	-170.5	172.4	0	0	0	0	0	113.6	L597	L597-G616 WeakPolarHBondContact CD1-O 3.49Å
617	P	91	Very high	88.7	Confident	65 Å²	65	57.7 Å²	57.7	42%	0.422	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	163.1	172.9	31.5	-36.8	0	0	0	111.8	L598 L619	L598-P617 WeakPolarHBondContact O-CB 3.35Å; P617-L619 VanDerWaalsContact C-N 3.25Å; P617-L619 PolarHBondContact O-N 3.11Å
618	F	90.4	Very high	88.9	Confident	66 Å²	66	60.9 Å²	60.9	29%	0.289	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	21.2	-176.7	-56.1	-79.8	0	0	0	115.5	L535 A538 H542 L597	L535-F618 HydrophobicContact CD1-CZ 4.16Å; A538-F618 HydrophobicContact CB-CE1 4.17Å; A538-F618 HydrophobicContact CB-CZ 3.84Å; H542-F618 HydrophobicContact CB-CD1 3.84Å; H542-F618 HydrophobicContact CB-CE1 4.28Å; H542-F618 AromaticContact CD2-CD1 3.96Å; H542-F618 PolarHBondContact CE1-O 2.85Å; H542-F618 VanDerWaalsContact CE1-O 3.23Å; H542-F618 AromaticContact CG-CD1 3.73Å; H542-F618 PolarHBondContact NE2-O 2.99Å; L597-F618 WeakPolarHBondContact O-CA 3.48Å; L597-F618 PolarHBondContact O-N 3.03Å
619	L	91.7	Very high	89	Confident	70 Å²	70	53.9 Å²	53.9	37%	0.366	28%	0.281	S	S	.	.			trans	-94.1	127.8	168.2	-134.9	80	0	0	0	112	L597 F613 A615 P617 F621	L597-L619 PolarHBondContact N-O 3.37Å; L597-L619 VanDerWaalsContact N-O 3.09Å; F613-L619 HydrophobicContact CE2-CD2 4.06Å; F613-L619 HydrophobicContact CZ-CD2 4.33Å; A615-L619 HydrophobicContact CB-CD2 3.92Å; P617-L619 VanDerWaalsContact C-N 3.25Å; P617-L619 PolarHBondContact O-N 3.11Å; L619-F621 HydrophobicContact CB-CE2 4.08Å; L619-F621 HydrophobicContact CD2-CE1 4.33Å; L619-F621 HydrophobicContact CD2-CE2 4.11Å; L619-F621 HydrophobicContact CD2-CZ 3.68Å
620	M	90.1	Very high	89.1	Confident	42 Å²	42	47 Å²	47	21%	0.207	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.3	174.6	-80.6	-64.3	-53	0	0	112	L543 V547 A594 L596 L626	L543-M620 HydrophobicContact CD2-SD 4.25Å; V547-M620 HydrophobicContact CG1-CE 4.39Å; V547-M620 HydrophobicContact CG1-CG 4.2Å; V547-M620 HydrophobicContact CG1-SD 4.48Å; V547-M620 HydrophobicContact CG2-CG 3.58Å; V547-M620 HydrophobicContact CG2-SD 4.25Å; A594-M620 HydrophobicContact CB-CE 4.05Å; L596-M620 HydrophobicContact CB-SD 3.62Å; L596-M620 HydrophobicContact CD1-CG 4.04Å; L596-M620 HydrophobicContact CD1-SD 3.85Å; L596-M620 HydrophobicContact CD2-SD 4.37Å; L596-M620 HydrophobicContact CG-SD 4.14Å; M620-L626 HydrophobicContact CE-CD1 4.28Å
621	F	91.7	Very high	89.1	Confident	12 Å²	12	52.7 Å²	52.7	5%	0.053	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	147.1	170.4	-63.9	-84.5	0	0	0	110.5	Y585 A594 I595 L597 V604 F613 A615 L619 E623 Y659 L661	Y585-F621 HydrophobicContact CD2-CB 4.45Å; Y585-F621 HydrophobicContact CE2-CB 3.71Å; A594-F621 CarbonylContact C-O 3.57Å; A594-F621 VanDerWaalsContact CA-O 3.27Å; A594-F621 WeakPolarHBondContact CA-O 3.42Å; A594-F621 WeakPolarHBondContact CB-O 3.25Å; I595-F621 HydrophobicContact CB-CB 4.43Å; I595-F621 PolarHBondContact N-O 3.39Å; I595-F621 PolarHBondContact O-N 2.95Å; L597-F621 HydrophobicContact CD1-CE2 3.83Å; L597-F621 HydrophobicContact CG-CD2 4.42Å; L597-F621 HydrophobicContact CG-CE2 4Å; V604-F621 HydrophobicContact CG1-CE1 4.22Å; V604-F621 HydrophobicContact CG2-CE1 3.74Å; V604-F621 HydrophobicContact CG2-CZ 3.6Å; F613-F621 HydrophobicContact CZ-CE1 4.45Å; A615-F621 HydrophobicContact CB-CE2 4.31Å; A615-F621 HydrophobicContact CB-CZ 3.84Å; L619-F621 HydrophobicContact CB-CE2 4.08Å; L619-F621 HydrophobicContact CD2-CE1 4.33Å; L619-F621 HydrophobicContact CD2-CE2 4.11Å; L619-F621 HydrophobicContact CD2-CZ 3.68Å; F621-E623 PolarHBondContact O-N 3.05Å; F621-Y659 HydrophobicContact CD1-CD2 4.41Å; F621-Y659 AromaticContact CD1-CE2 3.72Å; F621-Y659 HydrophobicContact CD1-CE2 3.72Å; F621-Y659 AromaticContact CD1-CZ 3.86Å; F621-Y659 HydrophobicContact CE1-CE2 4.45Å; F621-Y659 HydrophobicContact CG-CE2 4.49Å; F621-L661 HydrophobicContact CD2-CD2 3.97Å; F621-L661 HydrophobicContact CE1-CD1 4.24Å; F621-L661 HydrophobicContact CE2-CD1 4Å; F621-L661 HydrophobicContact CE2-CD2 4.24Å; F621-L661 HydrophobicContact CG-CD2 4.13Å; F621-L661 HydrophobicContact CZ-CD1 3.84Å
622	G	88.9	Confident	88.7	Confident	6 Å²	6	49.7 Å²	49.7	6%	0.062	25%	0.254	C	S	.	.			trans	71.5	18.2	174.9	0	0	0	0	0	116.6	A624 V625 Y659	G622-A624 PolarHBondContact O-N 3.43Å; G622-V625 WeakPolarHBondContact O-CB 3.42Å; G622-V625 WeakPolarHBondContact O-CG2 3.27Å; G622-V625 PolarHBondContact O-N 3Å; G622-Y659 PolarHBondContact N-OH 2.96Å
623	E	89.1	Confident	88.2	Confident	45 Å²	45	44.7 Å²	44.7	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-53.4	-23.8	178.4	-158.1	-147.8	163.9	0	0	113.5	V547 S549 F621 V625 L626 K627	V547-E623 HydrophobicContact CG1-CG 4.3Å; S549-E623 PolarHBondContact OG-OE1 3.34Å; F621-E623 PolarHBondContact O-N 3.05Å; E623-V625 PolarHBondContact O-N 2.97Å; E623-L626 PolarHBondContact O-N 2.86Å; E623-K627 VanDerWaalsContact CD-CE 3.44Å; E623-K627 PolarHBondContact O-N 2.98Å; E623-K627 WeakPolarHBondContact OE1-CE 3.44Å; E623-K627 IonicContact OE1-NZ 3.95Å; E623-K627 PolarHBondContact OE1-NZ 3.35Å; E623-K627 WeakPolarHBondContact OE2-CE 3.34Å; E623-K627 IonicContact OE2-NZ 3.18Å; E623-K627 PolarHBondContact OE2-NZ 3.21Å
624	A	88.3	Confident	87.4	Confident	40 Å²	40	45.4 Å²	45.4	33%	0.331	24%	0.24	S	C	.	.	H	α-helix	trans	-56.1	-26.5	172.8	0	0	0	0	0	114.1	G622 R628 F655	G622-A624 PolarHBondContact O-N 3.43Å; A624-R628 WeakPolarHBondContact O-CG 3.26Å; A624-R628 PolarHBondContact O-N 3.01Å; A624-R628 VanDerWaalsContact O-N 3.12Å; A624-F655 HydrophobicContact CB-CB 4.09Å; A624-F655 HydrophobicContact CB-CD2 4.5Å; A624-F655 HydrophobicContact CB-CG 4.42Å
625	V	88.5	Confident	86.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-48.4	171.9	177.8	0	0	0	0	110.3	G622 E623 R628 V629 F655 A674	G622-V625 WeakPolarHBondContact O-CB 3.42Å; G622-V625 WeakPolarHBondContact O-CG2 3.27Å; G622-V625 PolarHBondContact O-N 3Å; E623-V625 PolarHBondContact O-N 2.97Å; V625-R628 PolarHBondContact O-N 2.95Å; V625-V629 WeakPolarHBondContact O-CG2 3.4Å; V625-V629 PolarHBondContact O-N 3.2Å; V625-F655 HydrophobicContact CG2-CB 4.4Å; V625-F655 HydrophobicContact CG2-CD1 3.38Å; V625-F655 HydrophobicContact CG2-CE1 3.97Å; V625-F655 HydrophobicContact CG2-CG 4.22Å; V625-A674 HydrophobicContact CG1-CB 3.82Å
626	L	89	Confident	85.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-39.7	-175.8	-47.2	-177.6	0	0	0	110.8	S549 F550 A594 M620 E623 V629 N630 I672 Y677	S549-L626 WeakPolarHBondContact OG-CB 3.35Å; F550-L626 HydrophobicContact CD2-CD1 4.4Å; F550-L626 HydrophobicContact CE2-CD1 3.58Å; F550-L626 HydrophobicContact CZ-CD1 4.21Å; A594-L626 HydrophobicContact CB-CD1 4.14Å; A594-L626 HydrophobicContact CB-CD2 4.23Å; A594-L626 HydrophobicContact CB-CG 4.11Å; M620-L626 HydrophobicContact CE-CD1 4.28Å; E623-L626 PolarHBondContact O-N 2.86Å; L626-V629 PolarHBondContact O-N 3.16Å; L626-N630 PolarHBondContact O-N 3.27Å; L626-N630 VanDerWaalsContact O-N 3.11Å; L626-I672 HydrophobicContact CD2-CG2 3.72Å; L626-Y677 HydrophobicContact CB-CD1 4.19Å; L626-Y677 HydrophobicContact CB-CE1 4Å; L626-Y677 HydrophobicContact CB-CE2 4.45Å; L626-Y677 HydrophobicContact CD2-CD1 4.08Å; L626-Y677 HydrophobicContact CD2-CD2 4.1Å; L626-Y677 HydrophobicContact CD2-CG 3.77Å; L626-Y677 WeakPolarHBondContact O-CE1 3.14Å
627	K	88.4	Confident	83.9	Confident	83 Å²	83	47.2 Å²	47.2	36%	0.361	25%	0.25	S	C	.	.	H	α-helix	trans	-59.3	-47.5	171.9	-75.2	168.1	168.1	159.2	0	112.1	E623 V629 N630 E631	E623-K627 VanDerWaalsContact CD-CE 3.44Å; E623-K627 PolarHBondContact O-N 2.98Å; E623-K627 WeakPolarHBondContact OE1-CE 3.44Å; E623-K627 IonicContact OE1-NZ 3.95Å; E623-K627 PolarHBondContact OE1-NZ 3.35Å; E623-K627 WeakPolarHBondContact OE2-CE 3.34Å; E623-K627 IonicContact OE2-NZ 3.18Å; E623-K627 PolarHBondContact OE2-NZ 3.21Å; K627-V629 VanDerWaalsContact C-N 3.34Å; K627-V629 PolarHBondContact O-N 3.45Å; K627-N630 WeakPolarHBondContact O-CA 3.28Å; K627-N630 WeakPolarHBondContact O-CB 3.41Å; K627-N630 PolarHBondContact O-N 2.97Å; K627-E631 WeakPolarHBondContact O-CG 3.39Å; K627-E631 PolarHBondContact O-N 3.32Å
628	R	86	Confident	82.3	Confident	88 Å²	88	50 Å²	50	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-38.1	173.6	-75.4	-166.8	-173.9	91.3	-8.8	113	A624 V625 N630 E631 L632 E652 R654	A624-R628 WeakPolarHBondContact O-CG 3.26Å; A624-R628 PolarHBondContact O-N 3.01Å; A624-R628 VanDerWaalsContact O-N 3.12Å; V625-R628 PolarHBondContact O-N 2.95Å; R628-N630 PolarHBondContact O-N 3.34Å; R628-E631 PolarHBondContact O-N 3.18Å; R628-L632 VanDerWaalsContact O-CB 3.29Å; R628-L632 WeakPolarHBondContact O-CB 3.42Å; R628-L632 WeakPolarHBondContact O-CG 3.43Å; R628-L632 PolarHBondContact O-N 3.18Å; R628-E652 WeakPolarHBondContact CD-O 3.38Å; R628-R654 PolarHBondContact NH1-O 2.74Å
629	V	85.3	Confident	80.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-29	175.2	175.9	0	0	0	0	112.2	V625 L626 K627 F633 L649 A653 A674 Y677 L678 R681	V625-V629 WeakPolarHBondContact O-CG2 3.4Å; V625-V629 PolarHBondContact O-N 3.2Å; L626-V629 PolarHBondContact O-N 3.16Å; K627-V629 VanDerWaalsContact C-N 3.34Å; K627-V629 PolarHBondContact O-N 3.45Å; V629-F633 HydrophobicContact CG1-CD2 4.48Å; V629-F633 PolarHBondContact O-N 3.14Å; V629-F633 VanDerWaalsContact O-N 3.13Å; V629-L649 HydrophobicContact CG2-CD2 3.95Å; V629-A653 HydrophobicContact CG2-CB 3.91Å; V629-A674 HydrophobicContact CG2-CB 3.75Å; V629-Y677 HydrophobicContact CB-CD1 3.8Å; V629-Y677 HydrophobicContact CB-CE1 4.11Å; V629-Y677 HydrophobicContact CG1-CD1 3.69Å; V629-Y677 HydrophobicContact CG1-CE1 4.13Å; V629-Y677 HydrophobicContact CG2-CD1 4.46Å; V629-L678 HydrophobicContact CG1-CB 4.06Å; V629-L678 HydrophobicContact CG1-CD1 4.18Å; V629-R681 PolarHBondContact O-NH1 2.96Å
630	N	85.3	Confident	79.2	Confident	16 Å²	16	56.2 Å²	56.2	9%	0.086	29%	0.292	C	S	.	.	H	α-helix	trans	-73.4	-39.4	172	-67.7	-25.1	0	0	0	112.9	Y554 L626 K627 R628 F633 P634 Y677 R681	Y554-N630 HydrophobicContact CE1-CB 4.35Å; L626-N630 PolarHBondContact O-N 3.27Å; L626-N630 VanDerWaalsContact O-N 3.11Å; K627-N630 WeakPolarHBondContact O-CA 3.28Å; K627-N630 WeakPolarHBondContact O-CB 3.41Å; K627-N630 PolarHBondContact O-N 2.97Å; R628-N630 PolarHBondContact O-N 3.34Å; N630-F633 CarbonylContact O-C 3.59Å; N630-P634 WeakPolarHBondContact O-CA 3.42Å; N630-Y677 PolarHBondContact ND2-OH 3.36Å; N630-Y677 WeakPolarHBondContact OD1-CE1 3.36Å; N630-Y677 PolarHBondContact OD1-OH 2.91Å; N630-Y677 VanDerWaalsContact OD1-OH 3.13Å; N630-R681 WeakPolarHBondContact OD1-CD 3.49Å; N630-R681 PolarHBondContact OD1-NE 3.08Å; N630-R681 PolarHBondContact OD1-NH1 3.04Å; N630-R681 VanDerWaalsContact OD1-NH1 3.09Å
631	E	84.1	Confident	78	Confident	141 Å²	141	59.4 Å²	59.4	66%	0.659	31%	0.31	S	S	*	.	H	α-helix	trans	-67.4	-40.2	175.7	-67.5	158.4	-171	0	0	112.2	K627 R628	K627-E631 WeakPolarHBondContact O-CG 3.39Å; K627-E631 PolarHBondContact O-N 3.32Å; R628-E631 PolarHBondContact O-N 3.18Å
632	L	81.3	Confident	76.7	Confident	38 Å²	38	60 Å²	60	20%	0.199	32%	0.315	C	S	.	.	H	α-helix	trans	-75.8	-34.2	-178.7	-69.7	174	0	0	0	113.6	R628 E652 A653	R628-L632 VanDerWaalsContact O-CB 3.29Å; R628-L632 WeakPolarHBondContact O-CB 3.42Å; R628-L632 WeakPolarHBondContact O-CG 3.43Å; R628-L632 PolarHBondContact O-N 3.18Å; L632-E652 HydrophobicContact CD1-CB 3.64Å; L632-E652 HydrophobicContact CD2-CB 4.06Å; L632-E652 WeakPolarHBondContact CD2-OE2 3.42Å; L632-E652 HydrophobicContact CG-CB 4.49Å; L632-A653 HydrophobicContact CD1-CB 4.24Å
633	F	79.4	Confident	75.6	Confident	17 Å²	17	62.1 Å²	62.1	8%	0.075	33%	0.329	C	S	.	.			trans	-128.4	70.3	-178.8	-61.2	-81.9	0	0	0	110.1	V629 N630 N635 L649 L678 R681	V629-F633 HydrophobicContact CG1-CD2 4.48Å; V629-F633 PolarHBondContact O-N 3.14Å; V629-F633 VanDerWaalsContact O-N 3.13Å; N630-F633 CarbonylContact O-C 3.59Å; F633-N635 VanDerWaalsContact C-N 3.29Å; F633-N635 PolarHBondContact O-N 3.27Å; F633-L649 HydrophobicContact CD2-CD2 4.29Å; F633-L649 HydrophobicContact CE2-CD2 3.66Å; F633-L649 HydrophobicContact CE2-CG 4.03Å; F633-L678 HydrophobicContact CB-CD1 3.85Å; F633-L678 HydrophobicContact CD2-CD1 4.01Å; F633-L678 HydrophobicContact CD2-CD2 4.18Å; F633-L678 HydrophobicContact CE2-CD2 4.14Å; F633-L678 HydrophobicContact CG-CD1 3.88Å; F633-L678 HydrophobicContact CG-CD2 4.43Å; F633-L678 HydrophobicContact CZ-CD2 4.34Å; F633-R681 VanDerWaalsContact O-CZ 3.26Å; F633-R681 PolarHBondContact O-NH1 3.36Å; F633-R681 PolarHBondContact O-NH2 2.85Å
634	P	73.8	Confident	74.8	Confident	88 Å²	88	63.6 Å²	63.6	57%	0.571	34%	0.341	S	S	*	.	S	Bend	trans	-58.7	-43.2	179.2	22.3	-32.4	0	0	0	111.2	N630 R681	N630-P634 WeakPolarHBondContact O-CA 3.42Å; P634-R681 PolarHBondContact O-NH2 3.39Å; P634-R681 VanDerWaalsContact O-NH2 3.1Å
635	N	72.2	Confident	74	Confident	114 Å²	114	62.2 Å²	62.2	61%	0.61	33%	0.328	S	S	*	.	S	Bend	trans	-112.2	102.3	172.5	-68.6	-41.2	0	0	0	110.5	F633 S637	F633-N635 VanDerWaalsContact C-N 3.29Å; F633-N635 PolarHBondContact O-N 3.27Å; N635-S637 PolarHBondContact O-N 3.12Å
636	P	66.9	Low	73.2	Confident	9 Å²	9	63.4 Å²	63.4	6%	0.058	34%	0.336	C	S	.	.			trans	-65.4	0	-175.5	-24.1	33	0	0	0	117.2	L678 R681 R682 V685	P636-L678 HydrophobicContact CB-CD1 4.41Å; P636-R681 HydrophobicContact CG-CB 3.92Å; P636-R682 HydrophobicContact CB-CG 3.69Å; P636-R682 PolarHBondContact O-NE 2.95Å; P636-R682 VanDerWaalsContact O-NE 3.11Å; P636-V685 HydrophobicContact CG-CG2 4.25Å
637	S	61.4	Low	72.4	Confident	51 Å²	51	66.2 Å²	66.2	36%	0.357	36%	0.359	S	S	.	.			trans	-97.4	21.2	-165.6	75.2	0	0	0	0	115.7	N635 R689	N635-S637 PolarHBondContact O-N 3.12Å; S637-R689 VanDerWaalsContact CB-NH2 3.29Å; S637-R689 PolarHBondContact OG-NH2 3.12Å
638	E	56.6	Low	71.9	Confident	125 Å²	125	66.7 Å²	66.7	58%	0.584	36%	0.359	S	S	*	.			trans	-90.3	137.8	-180	-65.9	-174.5	170.4	0	0	112.3	M640	E638-M640 PolarHBondContact O-N 3.35Å
639	N	56.7	Low	71.5	Confident	175 Å²	175	62.8 Å²	62.8	94%	0.936	35%	0.345	S	S	*	.			trans	-76.2	48.9	-178	-69.6	-13.4	0	0	0	112.9
640	M	61.2	Low	70.9	Confident	91 Å²	91	64.7 Å²	64.7	45%	0.448	36%	0.36	S	S	.	.			trans	-78	153.1	168.9	-81.2	-164.2	172.5	0	0	111.5	E638 Q645	E638-M640 PolarHBondContact O-N 3.35Å; M640-Q645 HydrophobicContact CB-CG 3.93Å; M640-Q645 PolarHBondContact O-NE2 2.7Å
641	D	63.1	Low	70.4	Confident	108 Å²	108	67.1 Å²	67.1	58%	0.578	38%	0.379	S	S	*	.			trans	-64.7	139.1	175.8	-75.8	-57.4	0	0	0	112.2	S643 V644 Q645	D641-S643 PolarHBondContact O-N 3.06Å; D641-V644 HydrophobicContact CB-CB 4.36Å; D641-V644 HydrophobicContact CB-CG2 4.03Å; D641-V644 PolarHBondContact O-N 2.9Å; D641-V644 VanDerWaalsContact O-N 3.15Å; D641-Q645 VanDerWaalsContact O-CG 3.29Å; D641-Q645 WeakPolarHBondContact O-CG 3.31Å; D641-Q645 PolarHBondContact O-N 3.4Å
642	P	64.5	Low	70.2	Confident	24 Å²	24	64.2 Å²	64.2	16%	0.156	37%	0.365	C	S	.	.	H	α-helix	trans	-63.6	-29.1	-177.3	26	-34.4	0	0	0	112.7	S646 L744	P642-S646 WeakPolarHBondContact O-CB 3.26Å; P642-S646 PolarHBondContact O-N 3.09Å; P642-S646 PolarHBondContact O-OG 2.71Å; P642-S646 VanDerWaalsContact O-OG 3.07Å; P642-L744 HydrophobicContact CB-CD2 4.22Å; P642-L744 WeakPolarHBondContact O-CD2 3.46Å
643	S	66.9	Low	70.1	Confident	52 Å²	52	62.4 Å²	62.4	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-70.2	-38.6	174.9	50	0	0	0	0	113	D641 S646 A647	D641-S643 PolarHBondContact O-N 3.06Å; S643-S646 PolarHBondContact O-OG 2.88Å; S643-A647 VanDerWaalsContact O-CB 3.25Å; S643-A647 WeakPolarHBondContact O-CB 3.2Å; S643-A647 PolarHBondContact O-N 3Å
644	V	72	Confident	70.4	Confident	76 Å²	76	67 Å²	67	46%	0.461	37%	0.373	S	S	.	.	H	α-helix	trans	-70.7	-38.2	175.2	179.4	0	0	0	0	110.1	D641 R648	D641-V644 HydrophobicContact CB-CB 4.36Å; D641-V644 HydrophobicContact CB-CG2 4.03Å; D641-V644 PolarHBondContact O-N 2.9Å; D641-V644 VanDerWaalsContact O-N 3.15Å; V644-R648 VanDerWaalsContact O-CB 3.27Å; V644-R648 WeakPolarHBondContact O-CB 3.27Å; V644-R648 PolarHBondContact O-N 3.01Å
645	Q	72.4	Confident	71.1	Confident	10 Å²	10	63.4 Å²	63.4	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-47.7	175.7	-68.8	166	8.4	0	0	112.8	M640 D641 R648 L649 R682	M640-Q645 HydrophobicContact CB-CG 3.93Å; M640-Q645 PolarHBondContact O-NE2 2.7Å; D641-Q645 VanDerWaalsContact O-CG 3.29Å; D641-Q645 WeakPolarHBondContact O-CG 3.31Å; D641-Q645 PolarHBondContact O-N 3.4Å; Q645-R648 PolarHBondContact O-N 2.85Å; Q645-L649 WeakPolarHBondContact O-CB 3.13Å; Q645-L649 WeakPolarHBondContact O-CG 3.32Å; Q645-L649 PolarHBondContact O-N 3.31Å; Q645-R682 VanDerWaalsContact OE1-NH2 3.09Å
646	S	71.3	Confident	72	Confident	26 Å²	26	62 Å²	62	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-66.9	-39.2	178.5	59.9	0	0	0	0	111.3	P642 S643 R648 L649 A650 L744	P642-S646 WeakPolarHBondContact O-CB 3.26Å; P642-S646 PolarHBondContact O-N 3.09Å; P642-S646 PolarHBondContact O-OG 2.71Å; P642-S646 VanDerWaalsContact O-OG 3.07Å; S643-S646 PolarHBondContact O-OG 2.88Å; S646-R648 VanDerWaalsContact C-N 3.33Å; S646-R648 PolarHBondContact O-N 2.9Å; S646-L649 PolarHBondContact O-N 3Å; S646-A650 WeakPolarHBondContact O-CB 3.33Å; S646-A650 PolarHBondContact O-N 3.12Å; S646-L744 WeakPolarHBondContact OG-CD2 3.37Å
647	A	71.1	Confident	73	Confident	59 Å²	59	61.7 Å²	61.7	49%	0.488	34%	0.338	S	S	.	.	H	α-helix	trans	-57.8	-44.2	170.5	0	0	0	0	0	112.1	S643 A650 S651	S643-A647 VanDerWaalsContact O-CB 3.25Å; S643-A647 WeakPolarHBondContact O-CB 3.2Å; S643-A647 PolarHBondContact O-N 3Å; A647-A650 CarbonylContact O-C 3.52Å; A647-A650 PolarHBondContact O-N 3.11Å; A647-S651 PolarHBondContact O-N 2.9Å; A647-S651 PolarHBondContact O-OG 3.02Å
648	R	78.4	Confident	74.3	Confident	92 Å²	92	63.9 Å²	63.9	35%	0.347	35%	0.346	S	S	.	.	H	α-helix	trans	-71.8	-40.3	-179.4	-168.1	172.4	-175.3	-161.8	-10	113.7	V644 Q645 S646 A650 S651 E652	V644-R648 VanDerWaalsContact O-CB 3.27Å; V644-R648 WeakPolarHBondContact O-CB 3.27Å; V644-R648 PolarHBondContact O-N 3.01Å; Q645-R648 PolarHBondContact O-N 2.85Å; S646-R648 VanDerWaalsContact C-N 3.33Å; S646-R648 PolarHBondContact O-N 2.9Å; R648-A650 VanDerWaalsContact C-N 3.31Å; R648-S651 WeakPolarHBondContact CA-OG 3.34Å; R648-S651 PolarHBondContact O-N 2.78Å; R648-S651 PolarHBondContact O-OG 3.07Å; R648-S651 VanDerWaalsContact O-OG 3.07Å; R648-E652 HydrophobicContact CG-CG 4.5Å; R648-E652 WeakPolarHBondContact CG-OE1 3.47Å; R648-E652 IonicContact CZ-OE2 2.78Å; R648-E652 VanDerWaalsContact CZ-OE2 3.28Å; R648-E652 VanDerWaalsContact NE-CD 3.33Å; R648-E652 IonicContact NE-OE1 3.68Å; R648-E652 PolarHBondContact NE-OE1 3.27Å; R648-E652 IonicContact NE-OE2 3.63Å; R648-E652 PolarHBondContact NE-OE2 3.25Å; R648-E652 IonicContact NH2-OE1 3.76Å; R648-E652 IonicContact NH2-OE2 3.1Å; R648-E652 PolarHBondContact NH2-OE2 3.18Å; R648-E652 WeakPolarHBondContact O-CB 3.24Å; R648-E652 PolarHBondContact O-N 3.08Å
649	L	77.8	Confident	76	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-45.4	169	-74.1	167.1	0	0	0	110.2	V629 F633 Q645 S646 S651 A653 A674 E675 L678	V629-L649 HydrophobicContact CG2-CD2 3.95Å; F633-L649 HydrophobicContact CD2-CD2 4.29Å; F633-L649 HydrophobicContact CE2-CD2 3.66Å; F633-L649 HydrophobicContact CE2-CG 4.03Å; Q645-L649 WeakPolarHBondContact O-CB 3.13Å; Q645-L649 WeakPolarHBondContact O-CG 3.32Å; Q645-L649 PolarHBondContact O-N 3.31Å; S646-L649 PolarHBondContact O-N 3Å; L649-S651 VanDerWaalsContact C-N 3.26Å; L649-S651 PolarHBondContact O-N 3.36Å; L649-A653 HydrophobicContact CD2-CB 4.21Å; L649-A653 WeakPolarHBondContact O-CA 3.27Å; L649-A653 VanDerWaalsContact O-CB 3.29Å; L649-A653 WeakPolarHBondContact O-CB 3.35Å; L649-A653 PolarHBondContact O-N 3Å; L649-A674 HydrophobicContact CD2-CB 4.23Å; L649-E675 HydrophobicContact CD1-CG 3.89Å; L649-L678 HydrophobicContact CD1-CD2 3.82Å; L649-L678 HydrophobicContact CD2-CD2 4.39Å; L649-L678 HydrophobicContact CG-CD2 4.47Å
650	A	72.5	Confident	77.7	Confident	40 Å²	40	52 Å²	52	33%	0.331	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-22.8	179.5	0	0	0	0	0	113.3	S646 A647 R648 R654	S646-A650 WeakPolarHBondContact O-CB 3.33Å; S646-A650 PolarHBondContact O-N 3.12Å; A647-A650 CarbonylContact O-C 3.52Å; A647-A650 PolarHBondContact O-N 3.11Å; R648-A650 VanDerWaalsContact C-N 3.31Å; A650-R654 PolarHBondContact O-NE 3.07Å; A650-R654 PolarHBondContact O-NH2 3.23Å
651	S	75.3	Confident	79.2	Confident	68 Å²	68	47.7 Å²	47.7	48%	0.476	26%	0.264	S	S	.	.	H	α-helix	trans	-91.7	-48.9	173.4	57.2	0	0	0	0	113.4	A647 R648 L649	A647-S651 PolarHBondContact O-N 2.9Å; A647-S651 PolarHBondContact O-OG 3.02Å; R648-S651 WeakPolarHBondContact CA-OG 3.34Å; R648-S651 PolarHBondContact O-N 2.78Å; R648-S651 PolarHBondContact O-OG 3.07Å; R648-S651 VanDerWaalsContact O-OG 3.07Å; L649-S651 VanDerWaalsContact C-N 3.26Å; L649-S651 PolarHBondContact O-N 3.36Å
652	E	79.3	Confident	80.5	Confident	80 Å²	80	45.4 Å²	45.4	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-96.7	-27.7	-166.6	-68.4	165	-147.3	0	0	113.5	R628 L632 R648 R654	R628-E652 WeakPolarHBondContact CD-O 3.38Å; L632-E652 HydrophobicContact CD1-CB 3.64Å; L632-E652 HydrophobicContact CD2-CB 4.06Å; L632-E652 WeakPolarHBondContact CD2-OE2 3.42Å; L632-E652 HydrophobicContact CG-CB 4.49Å; R648-E652 HydrophobicContact CG-CG 4.5Å; R648-E652 WeakPolarHBondContact CG-OE1 3.47Å; R648-E652 IonicContact CZ-OE2 2.78Å; R648-E652 VanDerWaalsContact CZ-OE2 3.28Å; R648-E652 VanDerWaalsContact NE-CD 3.33Å; R648-E652 IonicContact NE-OE1 3.68Å; R648-E652 PolarHBondContact NE-OE1 3.27Å; R648-E652 IonicContact NE-OE2 3.63Å; R648-E652 PolarHBondContact NE-OE2 3.25Å; R648-E652 IonicContact NH2-OE1 3.76Å; R648-E652 IonicContact NH2-OE2 3.1Å; R648-E652 PolarHBondContact NH2-OE2 3.18Å; R648-E652 WeakPolarHBondContact O-CB 3.24Å; R648-E652 PolarHBondContact O-N 3.08Å; E652-R654 VanDerWaalsContact C-N 3.28Å; E652-R654 PolarHBondContact O-N 3.45Å; E652-R654 VanDerWaalsContact O-N 3.16Å
653	A	79.9	Confident	81.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-90	45	-179	0	0	0	0	0	113.3	V629 L632 L649 A674	V629-A653 HydrophobicContact CG2-CB 3.91Å; L632-A653 HydrophobicContact CD1-CB 4.24Å; L649-A653 HydrophobicContact CD2-CB 4.21Å; L649-A653 WeakPolarHBondContact O-CA 3.27Å; L649-A653 VanDerWaalsContact O-CB 3.29Å; L649-A653 WeakPolarHBondContact O-CB 3.35Å; L649-A653 PolarHBondContact O-N 3Å; A653-A674 HydrophobicContact CB-CB 3.79Å
654	R	84.8	Confident	82.7	Confident	114 Å²	114	44.3 Å²	44.3	43%	0.43	24%	0.241	S	C	.	.			trans	-109.2	146.1	173	-55.7	-173.2	-173.6	-179.3	4.2	111.4	W590 S591 N592 R628 A650 E652	W590-R654 HydrophobicContact CE3-CB 3.68Å; W590-R654 HydrophobicContact CZ3-CB 4.19Å; S591-R654 CarbonylContact O-C 3.57Å; S591-R654 WeakPolarHBondContact O-CA 3.47Å; N592-R654 HydrophobicContact CB-CG 4.49Å; R628-R654 PolarHBondContact NH1-O 2.74Å; A650-R654 PolarHBondContact O-NE 3.07Å; A650-R654 PolarHBondContact O-NH2 3.23Å; E652-R654 VanDerWaalsContact C-N 3.28Å; E652-R654 PolarHBondContact O-N 3.45Å; E652-R654 VanDerWaalsContact O-N 3.16Å
655	F	89.6	Confident	83.6	Confident	12 Å²	12	42.2 Å²	42.2	5%	0.053	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-120.8	161.3	165.5	89.5	-68.9	0	0	0	111.5	Y585 W590 S591 A624 V625 P657	Y585-F655 HydrophobicContact CD1-CZ 4.2Å; Y585-F655 AromaticContact CE1-CE1 3.74Å; Y585-F655 HydrophobicContact CE1-CE1 3.74Å; Y585-F655 AromaticContact CE1-CZ 3.67Å; Y585-F655 HydrophobicContact CE1-CZ 3.67Å; Y585-F655 AromaticContact CZ-CZ 3.98Å; W590-F655 WeakPolarHBondContact CA-O 3.22Å; S591-F655 PolarHBondContact N-O 2.81Å; S591-F655 PolarHBondContact O-N 2.96Å; S591-F655 WeakPolarHBondContact OG-CD1 3.42Å; S591-F655 WeakPolarHBondContact OG-CE1 3.3Å; A624-F655 HydrophobicContact CB-CB 4.09Å; A624-F655 HydrophobicContact CB-CD2 4.5Å; A624-F655 HydrophobicContact CB-CG 4.42Å; V625-F655 HydrophobicContact CG2-CB 4.4Å; V625-F655 HydrophobicContact CG2-CD1 3.38Å; V625-F655 HydrophobicContact CG2-CE1 3.97Å; V625-F655 HydrophobicContact CG2-CG 4.22Å; F655-P657 HydrophobicContact CE2-CB 3.73Å; F655-P657 HydrophobicContact CE2-CG 4.48Å; F655-P657 HydrophobicContact CZ-CB 4.12Å
656	L	89.6	Confident	84.4	Confident	85 Å²	85	46.6 Å²	46.6	45%	0.445	25%	0.254	S	S	.	.			trans	-111.2	112.7	175.2	-166.6	71.9	0	0	0	106.6	G588 W590	G588-L656 VanDerWaalsContact C-CD1 3.42Å; G588-L656 VanDerWaalsContact O-CD1 3.26Å; G588-L656 WeakPolarHBondContact O-CD1 3.39Å; W590-L656 HydrophobicContact CD2-CB 4.47Å; W590-L656 HydrophobicContact CD2-CD1 3.98Å; W590-L656 HydrophobicContact CE3-CB 4.23Å; W590-L656 HydrophobicContact CG-CD1 4.04Å; W590-L656 HydrophobicContact CZ3-CB 4.26Å
657	P	89	Confident	85.2	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.013	25%	0.246	C	C	.	.			trans	-74.8	133	176.8	31.2	-32.7	0	0	0	109.8	Y585 H586 G588 Q589 F655 Y659	Y585-P657 HydrophobicContact CD1-CG 4.43Å; H586-P657 WeakPolarHBondContact O-CG 3.14Å; G588-P657 PolarHBondContact N-O 3.49Å; Q589-P657 WeakPolarHBondContact O-CD 3.26Å; F655-P657 HydrophobicContact CE2-CB 3.73Å; F655-P657 HydrophobicContact CE2-CG 4.48Å; F655-P657 HydrophobicContact CZ-CB 4.12Å; P657-Y659 HydrophobicContact CB-CD1 4.4Å; P657-Y659 HydrophobicContact CB-CD2 4.34Å; P657-Y659 HydrophobicContact CB-CE1 4.16Å; P657-Y659 HydrophobicContact CB-CE2 4.08Å; P657-Y659 HydrophobicContact CB-CG 4.48Å
658	D	89.6	Confident	86	Confident	97 Å²	97	44.2 Å²	44.2	52%	0.519	23%	0.23	S	C	.	.	S	Bend	trans	-85.1	7.2	170.2	60.3	-40.9	0	0	0	112.4	G607	G607-D658 WeakPolarHBondContact CA-O 3.36Å; G607-D658 PolarHBondContact N-O 3.46Å
659	Y	91.8	Very high	86.5	Confident	27 Å²	27	41 Å²	41	11%	0.106	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.2	-179.9	56.3	-95.9	0	0	0	112.2	Y585 M587 V604 Q605 F621 G622 P657 L661	Y585-Y659 AromaticContact CD2-CE2 3.85Å; Y585-Y659 HydrophobicContact CD2-CE2 3.85Å; Y585-Y659 HydrophobicContact CE2-CE2 4.45Å; Y585-Y659 HydrophobicContact CG-CE2 4.23Å; M587-Y659 WeakPolarHBondContact CA-O 3.34Å; M587-Y659 PolarHBondContact N-O 2.82Å; V604-Y659 HydrophobicContact CG1-CD2 4.07Å; V604-Y659 HydrophobicContact CG1-CG 4.12Å; Q605-Y659 CarbonylContact O-C 3.59Å; Q605-Y659 WeakPolarHBondContact O-CA 3.36Å; Q605-Y659 WeakPolarHBondContact O-CB 3.28Å; F621-Y659 HydrophobicContact CD1-CD2 4.41Å; F621-Y659 AromaticContact CD1-CE2 3.72Å; F621-Y659 HydrophobicContact CD1-CE2 3.72Å; F621-Y659 AromaticContact CD1-CZ 3.86Å; F621-Y659 HydrophobicContact CE1-CE2 4.45Å; F621-Y659 HydrophobicContact CG-CE2 4.49Å; G622-Y659 PolarHBondContact N-OH 2.96Å; P657-Y659 HydrophobicContact CB-CD1 4.4Å; P657-Y659 HydrophobicContact CB-CD2 4.34Å; P657-Y659 HydrophobicContact CB-CE1 4.16Å; P657-Y659 HydrophobicContact CB-CE2 4.08Å; P657-Y659 HydrophobicContact CB-CG 4.48Å; Y659-L661 HydrophobicContact CD2-CB 4.48Å
660	T	91.6	Very high	87.1	Confident	23 Å²	23	40.8 Å²	40.8	14%	0.141	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.6	165.6	-61.3	0	0	0	0	108.9	T583 Y585 M587 V604 Q605 K662	T583-T660 HydrophobicContact CG2-CG2 4.01Å; Y585-T660 CarbonylContact O-C 3.59Å; Y585-T660 VanDerWaalsContact O-CA 3.27Å; Y585-T660 WeakPolarHBondContact O-CA 3.16Å; Y585-T660 WeakPolarHBondContact O-CG2 3.44Å; M587-T660 WeakPolarHBondContact CB-OG1 3.31Å; M587-T660 PolarHBondContact N-OG1 3.36Å; V604-T660 CarbonylContact C-O 3.51Å; V604-T660 WeakPolarHBondContact CA-O 2.97Å; Q605-T660 PolarHBondContact N-O 3.04Å; Q605-T660 PolarHBondContact O-N 3.47Å; T660-K662 HydrophobicContact CG2-CG 4.17Å
661	L	91.8	Very high	87.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.7	178.3	175.2	66.8	0	0	0	109.4	T583 L584 Y585 A602 V604 F621 Y659	T583-L661 CarbonylContact C-O 3.54Å; L584-L661 HydrophobicContact CB-CB 4.38Å; L584-L661 HydrophobicContact CB-CD2 3.76Å; L584-L661 HydrophobicContact CB-CG 3.95Å; L584-L661 HydrophobicContact CD1-CD2 3.96Å; L584-L661 HydrophobicContact CD1-CG 4.28Å; L584-L661 HydrophobicContact CG-CD2 4.49Å; L584-L661 PolarHBondContact N-O 2.83Å; Y585-L661 HydrophobicContact CD2-CB 3.94Å; Y585-L661 HydrophobicContact CD2-CD2 3.63Å; Y585-L661 HydrophobicContact CD2-CG 4.42Å; Y585-L661 HydrophobicContact CE2-CD2 4.02Å; Y585-L661 PolarHBondContact N-O 3.5Å; Y585-L661 PolarHBondContact O-N 3.42Å; A602-L661 HydrophobicContact CB-CD1 3.62Å; V604-L661 HydrophobicContact CG2-CD1 3.65Å; F621-L661 HydrophobicContact CD2-CD2 3.97Å; F621-L661 HydrophobicContact CE1-CD1 4.24Å; F621-L661 HydrophobicContact CE2-CD1 4Å; F621-L661 HydrophobicContact CE2-CD2 4.24Å; F621-L661 HydrophobicContact CG-CD2 4.13Å; F621-L661 HydrophobicContact CZ-CD1 3.84Å; Y659-L661 HydrophobicContact CD2-CB 4.48Å
662	K	90.8	Very high	88.5	Confident	61 Å²	61	39.7 Å²	39.7	27%	0.265	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.8	178.3	-67.5	-168.8	172.2	-179.5	0	112.1	D579 N582 T583 A602 V603 T660	D579-K662 IonicContact OD2-NZ 2.79Å; D579-K662 PolarHBondContact OD2-NZ 2.93Å; N582-K662 CarbonylContact O-C 3.59Å; N582-K662 WeakPolarHBondContact O-CA 3.39Å; T583-K662 HydrophobicContact CG2-CG 4.41Å; T583-K662 WeakPolarHBondContact OG1-CE 3.48Å; A602-K662 CarbonylContact C-O 3.51Å; A602-K662 WeakPolarHBondContact CA-O 3.38Å; A602-K662 VanDerWaalsContact CB-O 3.3Å; A602-K662 WeakPolarHBondContact CB-O 3.27Å; V603-K662 PolarHBondContact N-O 3.35Å; V603-K662 PolarHBondContact O-N 2.97Å; T660-K662 HydrophobicContact CG2-CG 4.17Å
663	A	91.1	Very high	88.8	Confident	3 Å²	3	36.6 Å²	36.6	3%	0.025	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.9	169.8	0	0	0	0	0	111.6	Y574 N582 L667	Y574-A663 HydrophobicContact CD2-CB 4.29Å; Y574-A663 WeakPolarHBondContact CD2-O 3.29Å; Y574-A663 VanDerWaalsContact CE2-O 3.27Å; Y574-A663 WeakPolarHBondContact CE2-O 3.31Å; N582-A663 HydrophobicContact CB-CB 4.36Å; N582-A663 PolarHBondContact O-N 2.85Å; A663-L667 HydrophobicContact CB-CD1 3.67Å; A663-L667 HydrophobicContact CB-CG 4.17Å
664	C	87.8	Confident	89.1	Confident	49 Å²	49	36.8 Å²	36.8	33%	0.331	19%	0.185	S	C	.	.	S	Bend	trans	-121.3	-12.9	171	-64.7	0	0	0	0	113.2	R601 V603	R601-C664 PolarHBondContact O-N 3.44Å; V603-C664 VanDerWaalsContact CB-SG 3.51Å; V603-C664 WeakPolarHBondContact CG2-SG 3.41Å; V603-C664 PolarHBondContact N-SG 3.47Å
665	S	89.7	Confident	89	Confident	33 Å²	33	33.9 Å²	33.9	23%	0.231	18%	0.176	C	C	.	.	S	Bend	trans	-133.8	177	163.5	70.5	0	0	0	0	108.8	Y574 G600 R601 L667	Y574-S665 VanDerWaalsContact CB-C 3.46Å; G600-S665 VanDerWaalsContact CA-OG 3.22Å; G600-S665 WeakPolarHBondContact CA-OG 3.38Å; R601-S665 PolarHBondContact N-OG 2.66Å; R601-S665 PolarHBondContact O-N 3.16Å; S665-L667 PolarHBondContact O-N 3.17Å
666	N	89.9	Confident	88.7	Confident	102 Å²	102	34.7 Å²	34.7	55%	0.545	18%	0.18	S	C	.	.			trans	-51.7	132.9	159.7	-63.4	-18.8	0	0	0	108.9	C572 Y574 G600	C572-N666 CarbonylContact O-C 3.47Å; C572-N666 WeakPolarHBondContact O-CA 3.34Å; Y574-N666 PolarHBondContact N-OD1 3.35Å; G600-N666 WeakPolarHBondContact CA-O 3.11Å
667	L	87.4	Confident	88.6	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132	180	-73.1	175.4	0	0	0	110.2	E571 C572 L584 L597 Q599 A602 A663 S665 Y669	E571-L667 WeakPolarHBondContact CA-O 3.45Å; C572-L667 HydrophobicContact CB-CB 4.28Å; C572-L667 PolarHBondContact N-O 3.33Å; C572-L667 PolarHBondContact O-N 3.37Å; L584-L667 HydrophobicContact CD1-CD1 3.68Å; L597-L667 HydrophobicContact CD2-CD1 4.26Å; L597-L667 HydrophobicContact CD2-CD2 4.3Å; Q599-L667 WeakPolarHBondContact O-CA 3.34Å; Q599-L667 WeakPolarHBondContact O-CD2 3.45Å; A602-L667 HydrophobicContact CB-CD1 4.09Å; A602-L667 HydrophobicContact CB-CD2 4.48Å; A663-L667 HydrophobicContact CB-CD1 3.67Å; A663-L667 HydrophobicContact CB-CG 4.17Å; S665-L667 PolarHBondContact O-N 3.17Å; L667-Y669 HydrophobicContact CB-CD1 4.24Å
668	Q	88.2	Confident	88.5	Confident	32 Å²	32	30.8 Å²	30.8	15%	0.15	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.8	156.1	-64.1	-163.2	-34.9	0	0	108.4	R530 E571 L598 Q599	R530-Q668 PolarHBondContact O-NE2 2.79Å; R530-Q668 VanDerWaalsContact O-NE2 3.1Å; E571-Q668 HydrophobicContact CG-CG 4.29Å; E571-Q668 PolarHBondContact OE1-NE2 3Å; L598-Q668 HydrophobicContact CB-CB 4.45Å; L598-Q668 WeakPolarHBondContact CB-O 3.39Å; L598-Q668 PolarHBondContact N-O 3.18Å; Q599-Q668 HydrophobicContact CB-CB 4.14Å; Q599-Q668 HydrophobicContact CB-CG 4.45Å; Q599-Q668 PolarHBondContact N-O 3.3Å; Q599-Q668 VanDerWaalsContact N-O 3.12Å; Q599-Q668 PolarHBondContact O-N 3.06Å; Q599-Q668 VanDerWaalsContact O-N 3.07Å
669	Y	89.5	Confident	88.2	Confident	24 Å²	24	27 Å²	27	9%	0.094	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	155.9	-176.9	65.3	-86.5	0	0	0	112.6	G570 C572 L584 I595 L596 L667 K671	G570-Y669 PolarHBondContact N-O 3.45Å; G570-Y669 WeakPolarHBondContact O-CD1 3.44Å; G570-Y669 PolarHBondContact O-N 3.12Å; C572-Y669 HydrophobicContact CB-CE1 3.96Å; L584-Y669 HydrophobicContact CD1-CD1 4.49Å; L584-Y669 HydrophobicContact CD1-CE1 4.43Å; L584-Y669 HydrophobicContact CD2-CE1 3.95Å; L584-Y669 HydrophobicContact CD2-CE2 4.38Å; I595-Y669 HydrophobicContact CD1-CD2 4.04Å; I595-Y669 HydrophobicContact CD1-CE2 3.9Å; I595-Y669 HydrophobicContact CG1-CD2 4.04Å; I595-Y669 HydrophobicContact CG1-CE2 4.26Å; I595-Y669 HydrophobicContact CG2-CD2 3.84Å; I595-Y669 HydrophobicContact CG2-CG 4.2Å; L596-Y669 CarbonylContact O-C 3.54Å; L596-Y669 WeakPolarHBondContact O-CA 3.44Å; L596-Y669 VanDerWaalsContact O-CB 3.23Å; L596-Y669 WeakPolarHBondContact O-CB 3.45Å; L667-Y669 HydrophobicContact CB-CD1 4.24Å; Y669-K671 HydrophobicContact CD2-CB 4.26Å; Y669-K671 HydrophobicContact CE2-CB 3.95Å; Y669-K671 HydrophobicContact CE2-CD 4.36Å; Y669-K671 HydrophobicContact CE2-CG 4.42Å
670	L	89.1	Confident	87.8	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.6	177.5	-163.4	70.2	0	0	0	109.5	L543 F563 L564 I568 I595 L596 L598 I672	L543-L670 HydrophobicContact CD1-CD2 3.96Å; F563-L670 HydrophobicContact CE1-CD2 4.27Å; L564-L670 HydrophobicContact CD2-CD1 3.96Å; L564-L670 HydrophobicContact CD2-CD2 3.61Å; L564-L670 HydrophobicContact CD2-CG 4.46Å; I568-L670 HydrophobicContact CB-CD1 3.76Å; I568-L670 HydrophobicContact CB-CG 4.45Å; I568-L670 HydrophobicContact CG2-CD1 3.76Å; I568-L670 HydrophobicContact CG2-CG 3.88Å; I595-L670 WeakPolarHBondContact CA-O 3.44Å; L596-L670 HydrophobicContact CB-CB 4.03Å; L596-L670 PolarHBondContact N-O 3.12Å; L596-L670 VanDerWaalsContact N-O 3.09Å; L596-L670 PolarHBondContact O-N 2.82Å; L598-L670 HydrophobicContact CD1-CB 4.19Å; L670-I672 HydrophobicContact CD2-CD1 3.92Å; L670-I672 HydrophobicContact CD2-CG1 4Å; L670-I672 HydrophobicContact CG-CD1 4.37Å; L670-I672 HydrophobicContact CG-CG1 3.99Å
671	K	89.1	Confident	87.5	Confident	85 Å²	85	25.1 Å²	25.1	37%	0.37	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	85.3	-177	-169.3	176.1	-179.1	168.1	0	111.7	I568 Y593 Y669 S673	I568-K671 WeakPolarHBondContact CG2-O 3.39Å; I568-K671 PolarHBondContact O-N 3.18Å; Y593-K671 HydrophobicContact CD2-CD 4.41Å; Y593-K671 HydrophobicContact CD2-CG 3.99Å; Y593-K671 HydrophobicContact CG-CG 4.16Å; Y669-K671 HydrophobicContact CD2-CB 4.26Å; Y669-K671 HydrophobicContact CE2-CB 3.95Å; Y669-K671 HydrophobicContact CE2-CD 4.36Å; Y669-K671 HydrophobicContact CE2-CG 4.42Å; K671-S673 PolarHBondContact O-N 3.44Å
672	I	88.7	Confident	87	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	105.9	-174.2	-56.6	158.9	0	0	0	110	F550 F563 I568 Y593 A594 L626 L670	F550-I672 HydrophobicContact CE2-CD1 3.76Å; F550-I672 HydrophobicContact CZ-CD1 3.65Å; F550-I672 HydrophobicContact CZ-CG2 4.43Å; F563-I672 HydrophobicContact CE1-CD1 4.43Å; F563-I672 HydrophobicContact CE1-CG1 4.17Å; F563-I672 HydrophobicContact CZ-CB 4.47Å; F563-I672 HydrophobicContact CZ-CD1 4.45Å; F563-I672 HydrophobicContact CZ-CG1 3.93Å; F563-I672 HydrophobicContact CZ-CG2 3.86Å; I568-I672 HydrophobicContact CG2-CG1 4.2Å; Y593-I672 CarbonylContact C-O 3.52Å; Y593-I672 WeakPolarHBondContact CA-O 3.37Å; Y593-I672 WeakPolarHBondContact CB-O 3.24Å; A594-I672 HydrophobicContact CB-CB 4.45Å; A594-I672 PolarHBondContact N-O 2.92Å; A594-I672 PolarHBondContact O-N 3.11Å; L626-I672 HydrophobicContact CD2-CG2 3.72Å; L670-I672 HydrophobicContact CD2-CD1 3.92Å; L670-I672 HydrophobicContact CD2-CG1 4Å; L670-I672 HydrophobicContact CG-CD1 4.37Å; L670-I672 HydrophobicContact CG-CG1 3.99Å
673	S	86.8	Confident	86.4	Confident	16 Å²	16	25.1 Å²	25.1	11%	0.112	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	157.5	169	86.2	0	0	0	0	112	K671 E675 H676 Y677	K671-S673 PolarHBondContact O-N 3.44Å; S673-E675 PolarHBondContact O-N 2.92Å; S673-E675 PolarHBondContact OG-N 2.96Å; S673-H676 PolarHBondContact O-N 3.23Å; S673-H676 PolarHBondContact OG-N 3.27Å; S673-H676 PolarHBondContact OG-ND1 2.99Å; S673-Y677 PolarHBondContact O-N 2.9Å
674	A	85.8	Confident	86	Confident	3 Å²	3	25 Å²	25	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-52.5	-34.4	174.2	0	0	0	0	0	113.4	N592 V625 V629 L649 A653 L678	N592-A674 PolarHBondContact O-N 3.46Å; V625-A674 HydrophobicContact CG1-CB 3.82Å; V629-A674 HydrophobicContact CG2-CB 3.75Å; L649-A674 HydrophobicContact CD2-CB 4.23Å; A653-A674 HydrophobicContact CB-CB 3.79Å; A674-L678 PolarHBondContact O-N 3.19Å
675	E	82.2	Confident	85.6	Confident	53 Å²	53	24.1 Å²	24.1	25%	0.248	12%	0.12	C	C	.	.	H	α-helix	trans	-72.7	-45.2	-179.7	-63.3	165.8	140	0	0	112.3	L649 S673 Y677 L678 L679 W737	L649-E675 HydrophobicContact CD1-CG 3.89Å; S673-E675 PolarHBondContact O-N 2.92Å; S673-E675 PolarHBondContact OG-N 2.96Å; E675-Y677 VanDerWaalsContact C-N 3.25Å; E675-Y677 PolarHBondContact O-N 3Å; E675-L678 PolarHBondContact O-N 2.82Å; E675-L679 PolarHBondContact O-N 2.76Å; E675-W737 HydrophobicContact CB-CH2 4Å; E675-W737 HydrophobicContact CB-CZ3 4.02Å
676	H	84.2	Confident	85	Confident	30 Å²	30	27.6 Å²	27.6	14%	0.139	14%	0.136	C	C	.	.	H	α-helix	trans	-57.5	-42.8	175.1	-72.3	89.5	0	0	0	110.8	F563 I568 S673 L679 A680 F733 W737	F563-H676 HydrophobicContact CE2-CB 4.08Å; I568-H676 HydrophobicContact CD1-CB 4.36Å; S673-H676 PolarHBondContact O-N 3.23Å; S673-H676 PolarHBondContact OG-N 3.27Å; S673-H676 PolarHBondContact OG-ND1 2.99Å; H676-L679 PolarHBondContact O-N 3.47Å; H676-A680 PolarHBondContact O-N 3.45Å; H676-F733 HydrophobicContact CB-CZ 4.49Å; H676-W737 HydrophobicContact CB-CZ3 4.38Å; H676-W737 AromaticContact CD2-CE3 3.96Å; H676-W737 AromaticContact CD2-CZ3 3.92Å; H676-W737 AromaticContact CE1-CH2 3.53Å; H676-W737 AromaticContact CE1-CZ2 3.5Å; H676-W737 AromaticContact CG-CH2 3.94Å; H676-W737 AromaticContact CG-CZ3 3.81Å; H676-W737 AromaticContact ND1-CH2 3.61Å; H676-W737 AromaticContact ND1-CZ3 3.97Å; H676-W737 AromaticContact NE2-CE2 3.72Å; H676-W737 AromaticContact NE2-CH2 3.82Å; H676-W737 AromaticContact NE2-CZ2 3.59Å
677	Y	87.4	Confident	84.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.6	-40.8	179.4	-176.6	-108.6	0	0	0	112.7	S549 F550 I555 L626 V629 N630 S673 E675 L679 A680 R681	S549-Y677 WeakPolarHBondContact CB-OH 3.22Å; S549-Y677 WeakPolarHBondContact O-CE2 3.38Å; S549-Y677 PolarHBondContact O-OH 2.92Å; F550-Y677 HydrophobicContact CD1-CE2 4.28Å; F550-Y677 AromaticContact CE1-CD2 3.85Å; F550-Y677 HydrophobicContact CE1-CD2 3.85Å; F550-Y677 AromaticContact CE1-CE2 3.93Å; F550-Y677 HydrophobicContact CE1-CE2 3.93Å; F550-Y677 HydrophobicContact CE2-CE2 4.43Å; F550-Y677 AromaticContact CZ-CD2 3.78Å; F550-Y677 HydrophobicContact CZ-CD2 3.78Å; F550-Y677 HydrophobicContact CZ-CE2 4.02Å; I555-Y677 HydrophobicContact CD1-CD2 3.73Å; I555-Y677 HydrophobicContact CD1-CE2 3.49Å; I555-Y677 VanDerWaalsContact CD1-CE2 3.49Å; L626-Y677 HydrophobicContact CB-CD1 4.19Å; L626-Y677 HydrophobicContact CB-CE1 4Å; L626-Y677 HydrophobicContact CB-CE2 4.45Å; L626-Y677 HydrophobicContact CD2-CD1 4.08Å; L626-Y677 HydrophobicContact CD2-CD2 4.1Å; L626-Y677 HydrophobicContact CD2-CG 3.77Å; L626-Y677 WeakPolarHBondContact O-CE1 3.14Å; V629-Y677 HydrophobicContact CB-CD1 3.8Å; V629-Y677 HydrophobicContact CB-CE1 4.11Å; V629-Y677 HydrophobicContact CG1-CD1 3.69Å; V629-Y677 HydrophobicContact CG1-CE1 4.13Å; V629-Y677 HydrophobicContact CG2-CD1 4.46Å; N630-Y677 PolarHBondContact ND2-OH 3.36Å; N630-Y677 WeakPolarHBondContact OD1-CE1 3.36Å; N630-Y677 PolarHBondContact OD1-OH 2.91Å; N630-Y677 VanDerWaalsContact OD1-OH 3.13Å; S673-Y677 PolarHBondContact O-N 2.9Å; E675-Y677 VanDerWaalsContact C-N 3.25Å; E675-Y677 PolarHBondContact O-N 3Å; Y677-L679 VanDerWaalsContact C-N 3.33Å; Y677-L679 PolarHBondContact O-N 3.46Å; Y677-A680 PolarHBondContact O-N 2.82Å; Y677-R681 HydrophobicContact CE1-CG 4.43Å; Y677-R681 PolarHBondContact O-N 3.08Å; Y677-R681 VanDerWaalsContact O-N 3.1Å
678	L	85.3	Confident	83.4	Confident	4 Å²	4	30 Å²	30	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-39	173.3	-175.5	63.3	0	0	0	111.9	V629 F633 P636 L649 A674 E675 R681 R682	V629-L678 HydrophobicContact CG1-CB 4.06Å; V629-L678 HydrophobicContact CG1-CD1 4.18Å; F633-L678 HydrophobicContact CB-CD1 3.85Å; F633-L678 HydrophobicContact CD2-CD1 4.01Å; F633-L678 HydrophobicContact CD2-CD2 4.18Å; F633-L678 HydrophobicContact CE2-CD2 4.14Å; F633-L678 HydrophobicContact CG-CD1 3.88Å; F633-L678 HydrophobicContact CG-CD2 4.43Å; F633-L678 HydrophobicContact CZ-CD2 4.34Å; P636-L678 HydrophobicContact CB-CD1 4.41Å; L649-L678 HydrophobicContact CD1-CD2 3.82Å; L649-L678 HydrophobicContact CD2-CD2 4.39Å; L649-L678 HydrophobicContact CG-CD2 4.47Å; A674-L678 PolarHBondContact O-N 3.19Å; E675-L678 PolarHBondContact O-N 2.82Å; L678-R681 PolarHBondContact O-N 3.37Å; L678-R682 WeakPolarHBondContact O-CG 3.47Å; L678-R682 PolarHBondContact O-N 2.98Å
679	L	83	Confident	82.5	Confident	19 Å²	19	35.3 Å²	35.3	10%	0.099	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-42.4	176.3	-175.2	64.7	0	0	0	111.7	E675 H676 Y677 R681 R682 L683 F733 A736 W737	E675-L679 PolarHBondContact O-N 2.76Å; H676-L679 PolarHBondContact O-N 3.47Å; Y677-L679 VanDerWaalsContact C-N 3.33Å; Y677-L679 PolarHBondContact O-N 3.46Å; L679-R681 VanDerWaalsContact C-N 3.32Å; L679-R681 PolarHBondContact O-N 3.37Å; L679-R682 WeakPolarHBondContact O-CB 3.32Å; L679-R682 PolarHBondContact O-N 3.04Å; L679-R682 VanDerWaalsContact O-N 3.13Å; L679-L683 HydrophobicContact CD1-CD1 4.43Å; L679-L683 HydrophobicContact CD1-CG 4.46Å; L679-L683 HydrophobicContact CD2-CD1 4.49Å; L679-L683 HydrophobicContact CG-CD1 3.99Å; L679-L683 HydrophobicContact CG-CG 4.47Å; L679-L683 WeakPolarHBondContact O-CG 3.44Å; L679-L683 PolarHBondContact O-N 2.8Å; L679-F733 HydrophobicContact CB-CE2 4.15Å; L679-F733 HydrophobicContact CB-CZ 4.32Å; L679-F733 HydrophobicContact CD2-CD2 4.49Å; L679-F733 HydrophobicContact CD2-CE1 4.32Å; L679-F733 HydrophobicContact CD2-CE2 4Å; L679-F733 HydrophobicContact CD2-CZ 3.91Å; L679-F733 HydrophobicContact CG-CE2 4.03Å; L679-F733 HydrophobicContact CG-CZ 4.34Å; L679-A736 HydrophobicContact CD1-CB 4.3Å; L679-A736 HydrophobicContact CD2-CB 4.25Å; L679-W737 HydrophobicContact CD2-CB 3.78Å; L679-W737 HydrophobicContact CD2-CD2 4.49Å; L679-W737 HydrophobicContact CD2-CE3 3.78Å
680	A	83.6	Confident	81.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-41.2	176.4	0	0	0	0	0	111.9	I555 V559 F563 H676 Y677 T684 F733	I555-A680 HydrophobicContact CD1-CB 3.62Å; I555-A680 HydrophobicContact CG1-CB 4.15Å; I555-A680 HydrophobicContact CG2-CB 4.44Å; V559-A680 HydrophobicContact CG1-CB 4.37Å; V559-A680 WeakPolarHBondContact CG1-O 3.15Å; F563-A680 HydrophobicContact CD2-CB 3.87Å; F563-A680 HydrophobicContact CE2-CB 4.19Å; H676-A680 PolarHBondContact O-N 3.45Å; Y677-A680 PolarHBondContact O-N 2.82Å; A680-T684 WeakPolarHBondContact O-CB 3.39Å; A680-T684 PolarHBondContact O-N 2.86Å; A680-T684 PolarHBondContact O-OG1 2.92Å; A680-F733 HydrophobicContact CB-CE2 3.98Å
681	R	85.2	Confident	79.6	Confident	10 Å²	10	41.7 Å²	41.7	4%	0.038	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-34.3	174.4	-68.7	-173.2	60.2	-132.8	-4.6	112.7	I555 V629 N630 F633 P634 P636 Y677 L678 L679 T684 V685	I555-R681 HydrophobicContact CD1-CG 4.19Å; I555-R681 HydrophobicContact CG1-CG 3.81Å; V629-R681 PolarHBondContact O-NH1 2.96Å; N630-R681 WeakPolarHBondContact OD1-CD 3.49Å; N630-R681 PolarHBondContact OD1-NE 3.08Å; N630-R681 PolarHBondContact OD1-NH1 3.04Å; N630-R681 VanDerWaalsContact OD1-NH1 3.09Å; F633-R681 VanDerWaalsContact O-CZ 3.26Å; F633-R681 PolarHBondContact O-NH1 3.36Å; F633-R681 PolarHBondContact O-NH2 2.85Å; P634-R681 PolarHBondContact O-NH2 3.39Å; P634-R681 VanDerWaalsContact O-NH2 3.1Å; P636-R681 HydrophobicContact CG-CB 3.92Å; Y677-R681 HydrophobicContact CE1-CG 4.43Å; Y677-R681 PolarHBondContact O-N 3.08Å; Y677-R681 VanDerWaalsContact O-N 3.1Å; L678-R681 PolarHBondContact O-N 3.37Å; L679-R681 VanDerWaalsContact C-N 3.32Å; L679-R681 PolarHBondContact O-N 3.37Å; R681-T684 WeakPolarHBondContact O-CB 3.22Å; R681-T684 PolarHBondContact O-N 2.82Å; R681-V685 WeakPolarHBondContact O-CG2 3.39Å; R681-V685 PolarHBondContact O-N 2.82Å; R681-V685 VanDerWaalsContact O-N 3.08Å
682	R	81.4	Confident	76.9	Confident	47 Å²	47	43.9 Å²	43.9	18%	0.177	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-47.9	174	-77.6	178.2	165.4	161.7	-3.1	113.3	P636 Q645 L678 L679 T684 V685 L686	P636-R682 HydrophobicContact CB-CG 3.69Å; P636-R682 PolarHBondContact O-NE 2.95Å; P636-R682 VanDerWaalsContact O-NE 3.11Å; Q645-R682 VanDerWaalsContact OE1-NH2 3.09Å; L678-R682 WeakPolarHBondContact O-CG 3.47Å; L678-R682 PolarHBondContact O-N 2.98Å; L679-R682 WeakPolarHBondContact O-CB 3.32Å; L679-R682 PolarHBondContact O-N 3.04Å; L679-R682 VanDerWaalsContact O-N 3.13Å; R682-T684 PolarHBondContact O-N 2.83Å; R682-V685 PolarHBondContact O-N 2.67Å; R682-V685 VanDerWaalsContact O-N 3.16Å; R682-L686 WeakPolarHBondContact O-CG 3.37Å; R682-L686 PolarHBondContact O-N 2.87Å
683	L	79.5	Confident	74.3	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-34.5	175.1	-73.1	166.9	0	0	0	111.1	V559 L679 L686 H687 M732 F733 A736	V559-L683 HydrophobicContact CG1-CB 3.75Å; V559-L683 HydrophobicContact CG2-CB 4.37Å; L679-L683 HydrophobicContact CD1-CD1 4.43Å; L679-L683 HydrophobicContact CD1-CG 4.46Å; L679-L683 HydrophobicContact CD2-CD1 4.49Å; L679-L683 HydrophobicContact CG-CD1 3.99Å; L679-L683 HydrophobicContact CG-CG 4.47Å; L679-L683 WeakPolarHBondContact O-CG 3.44Å; L679-L683 PolarHBondContact O-N 2.8Å; L683-L686 HydrophobicContact CD2-CD1 4.5Å; L683-L686 PolarHBondContact O-N 2.9Å; L683-H687 VanDerWaalsContact O-CB 3.3Å; L683-H687 WeakPolarHBondContact O-CB 3.49Å; L683-H687 PolarHBondContact O-N 3.4Å; L683-M732 HydrophobicContact CB-CE 4.38Å; L683-M732 HydrophobicContact CD2-CE 4.27Å; L683-M732 HydrophobicContact CD2-CG 4.3Å; L683-M732 HydrophobicContact CD2-SD 4.43Å; L683-F733 HydrophobicContact CD1-CB 4.15Å; L683-F733 HydrophobicContact CD1-CD2 3.47Å; L683-F733 VanDerWaalsContact CD1-CD2 3.47Å; L683-F733 HydrophobicContact CD1-CE2 4.17Å; L683-F733 HydrophobicContact CD1-CG 4.13Å; L683-A736 HydrophobicContact CD1-CB 4.03Å; L683-A736 HydrophobicContact CD2-CB 3.92Å; L683-A736 HydrophobicContact CG-CB 4.4Å
684	T	81.7	Confident	71.7	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-48.5	172	-65.3	0	0	0	0	112.5	I555 C556 A680 R681 R682 L686 H687 Q688	I555-T684 VanDerWaalsContact CA-OG1 3.32Å; I555-T684 WeakPolarHBondContact CA-OG1 3.42Å; C556-T684 HydrophobicContact CB-CG2 4.07Å; C556-T684 VanDerWaalsContact N-CG2 3.33Å; C556-T684 PolarHBondContact N-OG1 2.85Å; C556-T684 VanDerWaalsContact N-OG1 3.12Å; A680-T684 WeakPolarHBondContact O-CB 3.39Å; A680-T684 PolarHBondContact O-N 2.86Å; A680-T684 PolarHBondContact O-OG1 2.92Å; R681-T684 WeakPolarHBondContact O-CB 3.22Å; R681-T684 PolarHBondContact O-N 2.82Å; R682-T684 PolarHBondContact O-N 2.83Å; T684-L686 VanDerWaalsContact C-N 3.28Å; T684-L686 PolarHBondContact O-N 3.4Å; T684-H687 PolarHBondContact O-N 2.95Å; T684-Q688 HydrophobicContact CG2-CG 4.43Å; T684-Q688 WeakPolarHBondContact O-CB 2.99Å; T684-Q688 VanDerWaalsContact O-CG 3.31Å; T684-Q688 WeakPolarHBondContact O-CG 3.11Å; T684-Q688 PolarHBondContact O-N 3.24Å
685	V	80.1	Confident	68.9	Low	30 Å²	30	62 Å²	62	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-35	176	174	0	0	0	0	112	P636 R681 R682 R689	P636-V685 HydrophobicContact CG-CG2 4.25Å; R681-V685 WeakPolarHBondContact O-CG2 3.39Å; R681-V685 PolarHBondContact O-N 2.82Å; R681-V685 VanDerWaalsContact O-N 3.08Å; R682-V685 PolarHBondContact O-N 2.67Å; R682-V685 VanDerWaalsContact O-N 3.16Å; V685-R689 WeakPolarHBondContact O-CB 3.47Å; V685-R689 VanDerWaalsContact O-CG 3.26Å; V685-R689 WeakPolarHBondContact O-CG 3.49Å; V685-R689 PolarHBondContact O-N 2.64Å
686	L	76.7	Confident	67	Low	106 Å²	106	66.4 Å²	66.4	56%	0.555	36%	0.362	S	S	*	.	H	α-helix	trans	-67.8	-44	173.8	-68.5	171.5	0	0	0	111.9	R682 L683 T684 R689 A690	R682-L686 WeakPolarHBondContact O-CG 3.37Å; R682-L686 PolarHBondContact O-N 2.87Å; L683-L686 HydrophobicContact CD2-CD1 4.5Å; L683-L686 PolarHBondContact O-N 2.9Å; T684-L686 VanDerWaalsContact C-N 3.28Å; T684-L686 PolarHBondContact O-N 3.4Å; L686-R689 PolarHBondContact O-N 2.91Å; L686-A690 WeakPolarHBondContact O-CB 3.4Å; L686-A690 PolarHBondContact O-N 3.02Å
687	H	72.1	Confident	64.6	Low	74 Å²	74	70.1 Å²	70.1	34%	0.343	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-39.5	177.8	-169.6	68.8	0	0	0	112.2	S558 V559 L683 T684 A690 S691	S558-H687 PolarHBondContact OG-CD2 2.9Å; S558-H687 VanDerWaalsContact OG-CD2 3.22Å; S558-H687 PolarHBondContact OG-NE2 2.85Å; V559-H687 HydrophobicContact CG2-CB 4.32Å; L683-H687 VanDerWaalsContact O-CB 3.3Å; L683-H687 WeakPolarHBondContact O-CB 3.49Å; L683-H687 PolarHBondContact O-N 3.4Å; T684-H687 PolarHBondContact O-N 2.95Å; H687-A690 PolarHBondContact O-N 2.88Å; H687-S691 WeakPolarHBondContact O-CB 2.96Å; H687-S691 PolarHBondContact O-N 2.73Å; H687-S691 VanDerWaalsContact O-N 3.12Å; H687-S691 PolarHBondContact O-OG 3.4Å
688	Q	72.2	Confident	62	Low	82 Å²	82	73.5 Å²	73.5	38%	0.383	42%	0.421	S	S	.	.	H	α-helix	trans	-64.7	-37.2	172.3	-72	172.8	-4.2	0	0	112.2	T684 S691	T684-Q688 HydrophobicContact CG2-CG 4.43Å; T684-Q688 WeakPolarHBondContact O-CB 2.99Å; T684-Q688 VanDerWaalsContact O-CG 3.31Å; T684-Q688 WeakPolarHBondContact O-CG 3.11Å; T684-Q688 PolarHBondContact O-N 3.24Å; Q688-S691 WeakPolarHBondContact CA-OG 3.47Å; Q688-S691 PolarHBondContact O-OG 2.88Å
689	R	68.1	Low	59.4	Low	143 Å²	143	81.4 Å²	81.4	54%	0.54	46%	0.456	S	S	.	.	H	α-helix	trans	-69.7	-33.5	173.9	-75.4	173.3	-178.3	-179.4	3.4	112.9	S637 V685 L686 S691	S637-R689 VanDerWaalsContact CB-NH2 3.29Å; S637-R689 PolarHBondContact OG-NH2 3.12Å; V685-R689 WeakPolarHBondContact O-CB 3.47Å; V685-R689 VanDerWaalsContact O-CG 3.26Å; V685-R689 WeakPolarHBondContact O-CG 3.49Å; V685-R689 PolarHBondContact O-N 2.64Å; L686-R689 PolarHBondContact O-N 2.91Å; R689-S691 VanDerWaalsContact C-N 3.35Å
690	A	63.9	Low	56.9	Low	87 Å²	87	88.6 Å²	88.6	72%	0.719	48%	0.483	S	S	*	.	H	α-helix	trans	-78.3	-14.2	177.8	0	0	0	0	0	114.3	L686 H687	L686-A690 WeakPolarHBondContact O-CB 3.4Å; L686-A690 PolarHBondContact O-N 3.02Å; H687-A690 PolarHBondContact O-N 2.88Å
691	S	54.7	Low	54.3	Low	72 Å²	72	93.9 Å²	93.9	50%	0.503	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	8.5	-176.8	50.3	0	0	0	0	114.5	H687 Q688 R689	H687-S691 WeakPolarHBondContact O-CB 2.96Å; H687-S691 PolarHBondContact O-N 2.73Å; H687-S691 VanDerWaalsContact O-N 3.12Å; H687-S691 PolarHBondContact O-OG 3.4Å; Q688-S691 WeakPolarHBondContact CA-OG 3.47Å; Q688-S691 PolarHBondContact O-OG 2.88Å; R689-S691 VanDerWaalsContact C-N 3.35Å
692	L	33.4	Very low	51.7	Low	131 Å²	131	100.8 Å²	100.8	69%	0.686	55%	0.553	S	S	*	*	S	Bend	trans	-67.4	128.5	167	-83	156.8	0	0	0	110
693	P	33.8	Very low	49.4	Very low	118 Å²	118	104.4 Å²	104.4	77%	0.766	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-66.7	143.5	177.6	28.1	-34	0	0	0	111.1
694	L	30.7	Very low	47.3	Very low	160 Å²	160	108.2 Å²	108.2	84%	0.838	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-65.6	131.9	171.1	-68.4	166.2	0	0	0	109.7
695	D	28.3	Very low	45	Very low	121 Å²	121	111.5 Å²	111.5	65%	0.647	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-71.6	151.4	174.9	-161.9	-1	0	0	0	110.7	T697 G698	D695-T697 PolarHBondContact O-N 3.34Å; D695-G698 PolarHBondContact O-N 2.78Å
696	V	41.9	Very low	42.8	Very low	146 Å²	146	116.8 Å²	116.8	89%	0.885	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-16.5	-161	-176.4	0	0	0	0	113.6
697	T	33.6	Very low	40.8	Very low	107 Å²	107	118.4 Å²	118.4	66%	0.656	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-0.2	-179.9	58.1	0	0	0	0	115	D695 K699	D695-T697 PolarHBondContact O-N 3.34Å; T697-K699 PolarHBondContact O-N 2.98Å; T697-K699 VanDerWaalsContact O-N 3.1Å
698	G	33.9	Very low	39	Very low	71 Å²	71	118.9 Å²	118.9	73%	0.732	65%	0.649	S	S	*	*	S	Bend	trans	64.2	16.4	174.2	0	0	0	0	0	114.9	D695	D695-G698 PolarHBondContact O-N 2.78Å
699	K	29.4	Very low	37.1	Very low	170 Å²	170	121.2 Å²	121.2	74%	0.739	66%	0.66	S	S	*	*	S	Bend	trans	-123.2	141.2	178.4	-73.7	-179.6	176	178.2	0	109.9	T697	T697-K699 PolarHBondContact O-N 2.98Å; T697-K699 VanDerWaalsContact O-N 3.1Å
700	Y	31.1	Very low	35.3	Very low	170 Å²	170	121 Å²	121	67%	0.667	67%	0.665	S	S	*	*			trans	-58	143.5	170.9	-70	-87.6	0	0	0	110.8	I702 L704	Y700-I702 PolarHBondContact O-N 3.34Å; Y700-L704 HydrophobicContact CD1-CD2 4.23Å
701	P	29.3	Very low	34	Very low	111 Å²	111	122.8 Å²	122.8	72%	0.721	66%	0.661	S	S	*	*			trans	-57.3	131.1	171.1	23.7	-32.8	0	0	0	110.2	N703	P701-N703 PolarHBondContact O-N 2.78Å
702	I	29.1	Very low	33	Very low	156 Å²	156	126.9 Å²	126.9	80%	0.8	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	107.8	-168.9	-60.3	169.4	0	0	0	109.6	Y700	Y700-I702 PolarHBondContact O-N 3.34Å
703	N	34.3	Very low	32.7	Very low	123 Å²	123	125.6 Å²	125.6	66%	0.658	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	162	-18.9	167.5	-90.9	-32.8	0	0	0	110.6	P701	P701-N703 PolarHBondContact O-N 2.78Å
704	L	34.3	Very low	32.5	Very low	93 Å²	93	124.1 Å²	124.1	49%	0.487	66%	0.664	S	S	.	*	H	α-helix	trans	-80	-27.3	-177.7	-150.8	73.1	0	0	0	113.4	Y700 L708	Y700-L704 HydrophobicContact CD1-CD2 4.23Å; L704-L708 HydrophobicContact CD2-CD1 4.33Å; L704-L708 HydrophobicContact CG-CD1 4.25Å; L704-L708 WeakPolarHBondContact O-CB 3.16Å; L704-L708 PolarHBondContact O-N 2.97Å
705	S	35.2	Very low	32.4	Very low	70 Å²	70	124.5 Å²	124.5	49%	0.49	67%	0.667	S	S	.	*	H	α-helix	trans	-65.3	-39.8	-177.6	46.4	0	0	0	0	113.6	L708 H709	S705-L708 PolarHBondContact O-N 3.18Å; S705-H709 PolarHBondContact O-CD2 3.32Å; S705-H709 PolarHBondContact O-N 3.12Å
706	E	33.3	Very low	32.2	Very low	142 Å²	142	122.1 Å²	122.1	66%	0.664	67%	0.671	S	S	*	*	H	α-helix	trans	-69.3	-43.8	179.9	-66.1	-179.2	131.6	0	0	111.1	L708 H709 E710	E706-L708 VanDerWaalsContact C-N 3.31Å; E706-L708 PolarHBondContact O-N 2.9Å; E706-H709 WeakPolarHBondContact O-CB 3.32Å; E706-H709 PolarHBondContact O-N 2.94Å; E706-E710 PolarHBondContact O-N 2.81Å
707	K	34.7	Very low	31.4	Very low	140 Å²	140	120.7 Å²	120.7	61%	0.609	67%	0.666	S	S	*	*	H	α-helix	trans	-67.9	-28	175.5	-69.9	-171.4	172.4	-176.3	0	113.6	H709 I711	K707-H709 VanDerWaalsContact C-N 3.26Å; K707-H709 PolarHBondContact O-N 2.95Å; K707-I711 WeakPolarHBondContact O-CG1 3.39Å; K707-I711 PolarHBondContact O-N 2.95Å
708	L	33.8	Very low	31.2	Very low	83 Å²	83	122.4 Å²	122.4	44%	0.435	67%	0.67	S	S	.	*	H	α-helix	trans	-71.3	-18.6	170.2	-89.8	162.3	0	0	0	113.4	L704 S705 E706 K712	L704-L708 HydrophobicContact CD2-CD1 4.33Å; L704-L708 HydrophobicContact CG-CD1 4.25Å; L704-L708 WeakPolarHBondContact O-CB 3.16Å; L704-L708 PolarHBondContact O-N 2.97Å; S705-L708 PolarHBondContact O-N 3.18Å; E706-L708 VanDerWaalsContact C-N 3.31Å; E706-L708 PolarHBondContact O-N 2.9Å; L708-K712 WeakPolarHBondContact O-CG 3.49Å
709	H	32.3	Very low	30.8	Very low	132 Å²	132	126 Å²	126	61%	0.611	67%	0.673	S	S	*	*	H	α-helix	trans	-82	-34.9	171.8	-94.1	-99.1	0	0	0	112.9	S705 E706 K707 K712	S705-H709 PolarHBondContact O-CD2 3.32Å; S705-H709 PolarHBondContact O-N 3.12Å; E706-H709 WeakPolarHBondContact O-CB 3.32Å; E706-H709 PolarHBondContact O-N 2.94Å; K707-H709 VanDerWaalsContact C-N 3.26Å; K707-H709 PolarHBondContact O-N 2.95Å; H709-K712 PolarHBondContact O-N 3.09Å
710	E	29.7	Very low	30.6	Very low	139 Å²	139	122.6 Å²	122.6	65%	0.65	67%	0.67	S	S	*	*	H	α-helix	trans	-62.6	-41.1	171.5	-65.2	-175.8	121.8	0	0	112	E706 K712 S713	E706-E710 PolarHBondContact O-N 2.81Å; E710-K712 PolarHBondContact O-N 2.93Å; E710-S713 PolarHBondContact O-N 3.18Å; E710-S713 PolarHBondContact O-OG 2.97Å
711	I	37.3	Very low	30.4	Very low	124 Å²	124	121 Å²	121	64%	0.636	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-68.6	-20.7	-179	-66.2	167.7	0	0	0	112.5	K707 S713	K707-I711 WeakPolarHBondContact O-CG1 3.39Å; K707-I711 PolarHBondContact O-N 2.95Å; I711-S713 VanDerWaalsContact C-N 3.31Å; I711-S713 PolarHBondContact O-N 3.19Å
712	K	32.8	Very low	30.1	Very low	158 Å²	158	122.8 Å²	122.8	69%	0.687	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-74.8	-12.4	178.2	-81.7	177.9	177.1	-177.8	0	114.3	L708 H709 E710 S714	L708-K712 WeakPolarHBondContact O-CG 3.49Å; H709-K712 PolarHBondContact O-N 3.09Å; E710-K712 PolarHBondContact O-N 2.93Å; K712-S714 PolarHBondContact O-N 3.38Å
713	S	27.1	Very low	30	Very low	104 Å²	104	120.6 Å²	120.6	73%	0.727	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-89.2	8	-171.4	80.9	0	0	0	0	115.7	E710 I711	E710-S713 PolarHBondContact O-N 3.18Å; E710-S713 PolarHBondContact O-OG 2.97Å; I711-S713 VanDerWaalsContact C-N 3.31Å; I711-S713 PolarHBondContact O-N 3.19Å
714	S	29.7	Very low	29.6	Very low	87 Å²	87	119.4 Å²	119.4	61%	0.608	67%	0.67	S	S	*	*	S	Bend	trans	-132.9	95.4	-178.6	66.4	0	0	0	0	114.4	K712	K712-S714 PolarHBondContact O-N 3.38Å
715	N	28.6	Very low	29.1	Very low	167 Å²	167	118.9 Å²	118.9	89%	0.893	67%	0.671	S	S	*	*			trans	52.4	90.2	153.4	-61.6	-14.6	0	0	0	117.4
716	G	25.1	Very low	28.8	Very low	72 Å²	72	122.8 Å²	122.8	74%	0.742	69%	0.686	S	S	*	*			trans	-59.2	152.2	-179.1	0	0	0	0	0	117.2
717	C	25.7	Very low	28.6	Very low	116 Å²	116	126.7 Å²	126.7	78%	0.784	70%	0.696	S	S	*	*			trans	-160.2	27.6	155.6	-145.3	0	0	0	0	111.1
718	I	29.3	Very low	28.4	Very low	143 Å²	143	126.2 Å²	126.2	73%	0.733	70%	0.7	S	S	*	*			trans	-121.9	40.7	-167.7	-37.4	-176.2	0	0	0	111.4
719	D	24.4	Very low	28.6	Very low	147 Å²	147	124.1 Å²	124.1	79%	0.786	70%	0.699	S	S	*	*			trans	-102.2	12.1	178.1	-57.1	-63.3	0	0	0	112.6
720	S	26.2	Very low	29.3	Very low	98 Å²	98	120.8 Å²	120.8	69%	0.685	68%	0.683	S	S	*	*	S	Bend	trans	-114	-3.2	-172.5	59	0	0	0	0	115.7
721	L	26.7	Very low	30.5	Very low	135 Å²	135	118.3 Å²	118.3	71%	0.707	67%	0.674	S	S	*	*			trans	-104.7	77.7	170.8	-82.2	88.8	0	0	0	110.7
722	H	22.9	Very low	31.5	Very low	150 Å²	150	116 Å²	116	69%	0.694	66%	0.662	S	S	*	*			trans	-61.5	150.1	159.7	-95.8	-95.6	0	0	0	110.5	S724	H722-S724 PolarHBondContact O-N 3.37Å
723	S	27.2	Very low	32.9	Very low	109 Å²	109	108.4 Å²	108.4	76%	0.762	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	11.7	-169.6	53.4	0	0	0	0	116.4
724	S	24.4	Very low	34.7	Very low	98 Å²	98	105.1 Å²	105.1	69%	0.685	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-15.8	-179	49	0	0	0	0	114.6	H722	H722-S724 PolarHBondContact O-N 3.37Å
725	T	25.4	Very low	36.5	Very low	83 Å²	83	105.5 Å²	105.5	51%	0.509	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-88.8	-0.9	-173.7	48.3	0	0	0	0	115	Y727 D728	T725-Y727 PolarHBondContact O-N 2.84Å; T725-Y727 VanDerWaalsContact O-N 3.12Å; T725-D728 PolarHBondContact O-N 3.01Å
726	L	28.6	Very low	38.3	Very low	152 Å²	152	98.7 Å²	98.7	80%	0.796	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-69.7	-5.8	-175.1	-97.2	163.6	0	0	0	115.6
727	Y	29.6	Very low	40.4	Very low	224 Å²	224	96.9 Å²	96.9	88%	0.878	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-96	-16.6	176.3	-82.2	-88.9	0	0	0	114.2	T725 G729	T725-Y727 PolarHBondContact O-N 2.84Å; T725-Y727 VanDerWaalsContact O-N 3.12Å; Y727-G729 VanDerWaalsContact C-N 3.32Å; Y727-G729 PolarHBondContact O-N 2.81Å
728	D	28.7	Very low	42.5	Very low	129 Å²	129	95.2 Å²	95.2	69%	0.69	52%	0.518	S	S	*	.			trans	-84.9	70.6	178.4	-102.4	-43.2	0	0	0	111.8	T725 H730	T725-D728 PolarHBondContact O-N 3.01Å; D728-H730 PolarHBondContact O-N 2.9Å; D728-H730 VanDerWaalsContact O-N 3.15Å; D728-H730 IonicContact OD1-CD2 3.41Å
729	G	39.1	Very low	44.4	Very low	40 Å²	40	93.2 Å²	93.2	41%	0.412	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-68.3	-5.3	178.3	0	0	0	0	0	115.1	Y727 D731	Y727-G729 VanDerWaalsContact C-N 3.32Å; Y727-G729 PolarHBondContact O-N 2.81Å; G729-D731 PolarHBondContact O-N 2.83Å
730	H	47.9	Very low	46.5	Very low	61 Å²	61	87.4 Å²	87.4	28%	0.282	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-62.8	-40.1	-164.3	-81.7	-66.6	0	0	0	115.1	L522 D728	L522-H730 VanDerWaalsContact CD1-CE1 3.46Å; L522-H730 WeakPolarHBondContact CD1-CE1 3.39Å; D728-H730 PolarHBondContact O-N 2.9Å; D728-H730 VanDerWaalsContact O-N 3.15Å; D728-H730 IonicContact OD1-CD2 3.41Å
731	D	53.7	Low	48.5	Very low	87 Å²	87	86 Å²	86	47%	0.465	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-117.1	17.2	-171.4	-117.8	-18.1	0	0	0	113.7	G729 F733 Q734 N735	G729-D731 PolarHBondContact O-N 2.83Å; D731-F733 PolarHBondContact O-N 3.2Å; D731-Q734 PolarHBondContact O-N 3.48Å; D731-Q734 VanDerWaalsContact O-N 3.15Å; D731-Q734 VanDerWaalsContact OD1-CB 3.26Å; D731-Q734 WeakPolarHBondContact OD1-CB 3.47Å; D731-N735 WeakPolarHBondContact O-CB 3.35Å; D731-N735 PolarHBondContact O-N 2.92Å
732	M	58.4	Low	50.6	Low	75 Å²	75	82.1 Å²	82.1	37%	0.369	44%	0.437	S	S	.	.	H	α-helix	trans	-55.2	-44.6	-172.5	-171.8	-173.8	67.9	0	0	113.2	V559 L683 A736	V559-M732 HydrophobicContact CG2-CE 4.19Å; L683-M732 HydrophobicContact CB-CE 4.38Å; L683-M732 HydrophobicContact CD2-CE 4.27Å; L683-M732 HydrophobicContact CD2-CG 4.3Å; L683-M732 HydrophobicContact CD2-SD 4.43Å; M732-A736 WeakPolarHBondContact O-CB 3.37Å; M732-A736 PolarHBondContact O-N 3.09Å; M732-A736 VanDerWaalsContact O-N 3.11Å
733	F	63.1	Low	52.8	Low	0 Å²	0	81.6 Å²	81.6	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-68.4	-46.5	176.5	-174.1	-82	0	0	0	112.1	S562 F563 A566 I568 H676 L679 A680 L683 D731 A736 W737	S562-F733 VanDerWaalsContact OG-CB 3.23Å; S562-F733 WeakPolarHBondContact OG-CB 3.39Å; S562-F733 PolarHBondContact OG-N 3Å; F563-F733 HydrophobicContact CB-CD2 4.41Å; F563-F733 HydrophobicContact CD2-CD2 4.32Å; F563-F733 HydrophobicContact CD2-CE1 4.46Å; F563-F733 AromaticContact CD2-CE2 3.69Å; F563-F733 HydrophobicContact CD2-CE2 3.69Å; F563-F733 AromaticContact CD2-CZ 3.76Å; F563-F733 HydrophobicContact CD2-CZ 3.76Å; F563-F733 HydrophobicContact CE2-CE2 4.48Å; F563-F733 HydrophobicContact CE2-CZ 4.31Å; A566-F733 HydrophobicContact CB-CD1 3.64Å; A566-F733 HydrophobicContact CB-CE1 3.95Å; I568-F733 HydrophobicContact CD1-CE1 4.44Å; H676-F733 HydrophobicContact CB-CZ 4.49Å; L679-F733 HydrophobicContact CB-CE2 4.15Å; L679-F733 HydrophobicContact CB-CZ 4.32Å; L679-F733 HydrophobicContact CD2-CD2 4.49Å; L679-F733 HydrophobicContact CD2-CE1 4.32Å; L679-F733 HydrophobicContact CD2-CE2 4Å; L679-F733 HydrophobicContact CD2-CZ 3.91Å; L679-F733 HydrophobicContact CG-CE2 4.03Å; L679-F733 HydrophobicContact CG-CZ 4.34Å; A680-F733 HydrophobicContact CB-CE2 3.98Å; L683-F733 HydrophobicContact CD1-CB 4.15Å; L683-F733 HydrophobicContact CD1-CD2 3.47Å; L683-F733 VanDerWaalsContact CD1-CD2 3.47Å; L683-F733 HydrophobicContact CD1-CE2 4.17Å; L683-F733 HydrophobicContact CD1-CG 4.13Å; D731-F733 PolarHBondContact O-N 3.2Å; F733-A736 PolarHBondContact O-N 2.6Å; F733-W737 HydrophobicContact CD1-CB 4.47Å; F733-W737 HydrophobicContact CE1-CB 4.23Å; F733-W737 WeakPolarHBondContact O-CB 3.45Å; F733-W737 PolarHBondContact O-N 3.01Å
734	Q	64.3	Low	54.6	Low	35 Å²	35	77.5 Å²	77.5	16%	0.164	40%	0.399	C	S	.	.	H	α-helix	trans	-68.9	-38.3	-175.2	-169.3	60.3	64.4	0	0	111.6	D731 W737 N738	D731-Q734 PolarHBondContact O-N 3.48Å; D731-Q734 VanDerWaalsContact O-N 3.15Å; D731-Q734 VanDerWaalsContact OD1-CB 3.26Å; D731-Q734 WeakPolarHBondContact OD1-CB 3.47Å; Q734-W737 PolarHBondContact O-N 2.85Å; Q734-N738 PolarHBondContact NE2-OD1 3.08Å; Q734-N738 WeakPolarHBondContact O-CB 3.41Å; Q734-N738 PolarHBondContact O-N 3.27Å; Q734-N738 PolarHBondContact O-ND2 3.05Å; Q734-N738 PolarHBondContact O-OD1 3.06Å
735	N	67	Low	56.8	Low	95 Å²	95	78.6 Å²	78.6	51%	0.508	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-42	172.2	-77.9	-25.7	0	0	0	112.1	D731 W737 N738 H739	D731-N735 WeakPolarHBondContact O-CB 3.35Å; D731-N735 PolarHBondContact O-N 2.92Å; N735-W737 VanDerWaalsContact C-N 3.31Å; N735-W737 PolarHBondContact O-N 3.19Å; N735-N738 PolarHBondContact O-N 2.96Å; N735-H739 WeakPolarHBondContact O-CB 3.49Å; N735-H739 PolarHBondContact O-N 2.61Å
736	A	67	Low	58.8	Low	24 Å²	24	80.7 Å²	80.7	20%	0.198	40%	0.395	C	S	.	.	H	α-helix	trans	-64.1	-36.3	173.8	0	0	0	0	0	112.2	L679 L683 M732 F733 H740	L679-A736 HydrophobicContact CD1-CB 4.3Å; L679-A736 HydrophobicContact CD2-CB 4.25Å; L683-A736 HydrophobicContact CD1-CB 4.03Å; L683-A736 HydrophobicContact CD2-CB 3.92Å; L683-A736 HydrophobicContact CG-CB 4.4Å; M732-A736 WeakPolarHBondContact O-CB 3.37Å; M732-A736 PolarHBondContact O-N 3.09Å; M732-A736 VanDerWaalsContact O-N 3.11Å; F733-A736 PolarHBondContact O-N 2.6Å; A736-H740 VanDerWaalsContact O-CB 3.3Å; A736-H740 WeakPolarHBondContact O-CB 3.48Å; A736-H740 PolarHBondContact O-N 3.15Å
737	W	68.2	Low	60.4	Low	34 Å²	34	75 Å²	75	13%	0.129	37%	0.367	C	S	.	.	H	α-helix	trans	-68	-48.4	174.8	179.8	-96.6	0	0	0	111.5	E675 H676 L679 F733 Q734 N735 H739 H740 M741	E675-W737 HydrophobicContact CB-CH2 4Å; E675-W737 HydrophobicContact CB-CZ3 4.02Å; H676-W737 HydrophobicContact CB-CZ3 4.38Å; H676-W737 AromaticContact CD2-CE3 3.96Å; H676-W737 AromaticContact CD2-CZ3 3.92Å; H676-W737 AromaticContact CE1-CH2 3.53Å; H676-W737 AromaticContact CE1-CZ2 3.5Å; H676-W737 AromaticContact CG-CH2 3.94Å; H676-W737 AromaticContact CG-CZ3 3.81Å; H676-W737 AromaticContact ND1-CH2 3.61Å; H676-W737 AromaticContact ND1-CZ3 3.97Å; H676-W737 AromaticContact NE2-CE2 3.72Å; H676-W737 AromaticContact NE2-CH2 3.82Å; H676-W737 AromaticContact NE2-CZ2 3.59Å; L679-W737 HydrophobicContact CD2-CB 3.78Å; L679-W737 HydrophobicContact CD2-CD2 4.49Å; L679-W737 HydrophobicContact CD2-CE3 3.78Å; F733-W737 HydrophobicContact CD1-CB 4.47Å; F733-W737 HydrophobicContact CE1-CB 4.23Å; F733-W737 WeakPolarHBondContact O-CB 3.45Å; F733-W737 PolarHBondContact O-N 3.01Å; Q734-W737 PolarHBondContact O-N 2.85Å; N735-W737 VanDerWaalsContact C-N 3.31Å; N735-W737 PolarHBondContact O-N 3.19Å; W737-H739 VanDerWaalsContact C-N 3.33Å; W737-H739 PolarHBondContact O-N 2.98Å; W737-H740 PolarHBondContact O-N 3.43Å; W737-H740 VanDerWaalsContact O-N 3.1Å; W737-M741 HydrophobicContact CD2-CG 4.38Å; W737-M741 HydrophobicContact CH2-SD 4.31Å; W737-M741 HydrophobicContact CZ2-CG 4.08Å; W737-M741 HydrophobicContact CZ2-SD 3.77Å; W737-M741 WeakPolarHBondContact O-CG 3.37Å; W737-M741 PolarHBondContact O-N 3.05Å
738	N	71	Confident	62	Low	80 Å²	80	67.8 Å²	67.8	43%	0.428	35%	0.35	S	S	.	.	H	α-helix	trans	-57.6	-44.9	176.5	-66.6	-12.7	0	0	0	111	Q734 N735 M741 D742	Q734-N738 PolarHBondContact NE2-OD1 3.08Å; Q734-N738 WeakPolarHBondContact O-CB 3.41Å; Q734-N738 PolarHBondContact O-N 3.27Å; Q734-N738 PolarHBondContact O-ND2 3.05Å; Q734-N738 PolarHBondContact O-OD1 3.06Å; N735-N738 PolarHBondContact O-N 2.96Å; N738-M741 PolarHBondContact O-N 2.93Å; N738-D742 WeakPolarHBondContact O-CB 3.11Å; N738-D742 PolarHBondContact O-N 3.48Å
739	H	69.1	Low	63.5	Low	101 Å²	101	66.7 Å²	66.7	47%	0.468	34%	0.343	S	S	.	.	H	α-helix	trans	-69.3	-33.2	175.3	174.1	-113.3	0	0	0	113.1	N735 W737 R743	N735-H739 WeakPolarHBondContact O-CB 3.49Å; N735-H739 PolarHBondContact O-N 2.61Å; W737-H739 VanDerWaalsContact C-N 3.33Å; W737-H739 PolarHBondContact O-N 2.98Å; H739-R743 PolarHBondContact CE1-NE 3.01Å; H739-R743 PolarHBondContact NE2-NE 3.43Å; H739-R743 WeakPolarHBondContact O-CB 3.05Å; H739-R743 PolarHBondContact O-N 2.66Å
740	H	67.8	Low	64.3	Low	26 Å²	26	67.4 Å²	67.4	12%	0.12	35%	0.346	C	S	.	.	H	α-helix	trans	-66.3	-43.6	172.9	-172.1	47.3	0	0	0	111.3	A736 W737 R743 L744	A736-H740 VanDerWaalsContact O-CB 3.3Å; A736-H740 WeakPolarHBondContact O-CB 3.48Å; A736-H740 PolarHBondContact O-N 3.15Å; W737-H740 PolarHBondContact O-N 3.43Å; W737-H740 VanDerWaalsContact O-N 3.1Å; H740-R743 PolarHBondContact O-N 3.13Å; H740-L744 WeakPolarHBondContact O-CB 3.38Å; H740-L744 WeakPolarHBondContact O-CG 3.42Å; H740-L744 PolarHBondContact O-N 3.23Å
741	M	68.6	Low	64.8	Low	67 Å²	67	67.5 Å²	67.5	33%	0.33	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-41.1	175.7	-69.7	-59.2	-65.8	0	0	112.3	W737 N738 L744 Q745	W737-M741 HydrophobicContact CD2-CG 4.38Å; W737-M741 HydrophobicContact CH2-SD 4.31Å; W737-M741 HydrophobicContact CZ2-CG 4.08Å; W737-M741 HydrophobicContact CZ2-SD 3.77Å; W737-M741 WeakPolarHBondContact O-CG 3.37Å; W737-M741 PolarHBondContact O-N 3.05Å; N738-M741 PolarHBondContact O-N 2.93Å; M741-L744 PolarHBondContact O-N 3.03Å; M741-L744 HydrophobicContact SD-CD1 4.14Å; M741-Q745 WeakPolarHBondContact O-CB 3.21Å; M741-Q745 WeakPolarHBondContact O-CG 3.16Å; M741-Q745 PolarHBondContact O-N 3.06Å
742	D	69.7	Low	64.9	Low	54 Å²	54	65.7 Å²	65.7	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-44.2	172.4	170.3	74.8	0	0	0	111.9	N738 L744 Q745 K746	N738-D742 WeakPolarHBondContact O-CB 3.11Å; N738-D742 PolarHBondContact O-N 3.48Å; D742-L744 PolarHBondContact O-N 2.82Å; D742-Q745 PolarHBondContact O-N 2.93Å; D742-K746 WeakPolarHBondContact O-CB 3.47Å; D742-K746 WeakPolarHBondContact O-CG 3.31Å; D742-K746 PolarHBondContact O-N 2.99Å; D742-K746 WeakPolarHBondContact OD1-CE 3.41Å; D742-K746 IonicContact OD1-NZ 2.87Å; D742-K746 PolarHBondContact OD1-NZ 2.03Å; D742-K746 WeakPolarHBondContact OD2-CE 3.41Å; D742-K746 IonicContact OD2-NZ 3.28Å; D742-K746 PolarHBondContact OD2-NZ 3.44Å
743	R	69.1	Low	64.4	Low	140 Å²	140	66.9 Å²	66.9	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-40.7	172.3	-82.6	-171.3	168.4	-140.9	-5.1	112.5	H739 H740 S747	H739-R743 PolarHBondContact CE1-NE 3.01Å; H739-R743 PolarHBondContact NE2-NE 3.43Å; H739-R743 WeakPolarHBondContact O-CB 3.05Å; H739-R743 PolarHBondContact O-N 2.66Å; H740-R743 PolarHBondContact O-N 3.13Å; R743-S747 WeakPolarHBondContact O-CB 3.33Å; R743-S747 PolarHBondContact O-N 3.07Å; R743-S747 PolarHBondContact O-OG 3.33Å
744	L	66.9	Low	63.8	Low	23 Å²	23	69.8 Å²	69.8	12%	0.12	38%	0.38	C	S	.	.	H	α-helix	trans	-63.8	-47.8	176.2	-76.3	169.7	0	0	0	111.1	P642 S646 H740 M741 D742 K746 S747 S748	P642-L744 HydrophobicContact CB-CD2 4.22Å; P642-L744 WeakPolarHBondContact O-CD2 3.46Å; S646-L744 WeakPolarHBondContact OG-CD2 3.37Å; H740-L744 WeakPolarHBondContact O-CB 3.38Å; H740-L744 WeakPolarHBondContact O-CG 3.42Å; H740-L744 PolarHBondContact O-N 3.23Å; M741-L744 PolarHBondContact O-N 3.03Å; M741-L744 HydrophobicContact SD-CD1 4.14Å; D742-L744 PolarHBondContact O-N 2.82Å; L744-K746 PolarHBondContact O-N 3.15Å; L744-S747 PolarHBondContact O-N 3.15Å; L744-S747 PolarHBondContact O-OG 3.13Å; L744-S748 PolarHBondContact O-N 3.28Å; L744-S748 PolarHBondContact O-OG 2.84Å
745	Q	68.9	Low	63.4	Low	120 Å²	120	71.4 Å²	71.4	56%	0.561	40%	0.395	S	S	*	.	H	α-helix	trans	-60.6	-43.6	175.7	-73.8	-179.9	-4.2	0	0	112.4	M741 D742 S747 S748 L749	M741-Q745 WeakPolarHBondContact O-CB 3.21Å; M741-Q745 WeakPolarHBondContact O-CG 3.16Å; M741-Q745 PolarHBondContact O-N 3.06Å; D742-Q745 PolarHBondContact O-N 2.93Å; Q745-S747 VanDerWaalsContact C-N 3.34Å; Q745-S747 PolarHBondContact O-N 3.34Å; Q745-S748 PolarHBondContact O-N 3.34Å; Q745-S748 PolarHBondContact O-OG 3.34Å; Q745-S748 VanDerWaalsContact O-OG 3.1Å; Q745-L749 WeakPolarHBondContact O-CB 3.31Å; Q745-L749 PolarHBondContact O-N 2.79Å
746	K	67.9	Low	62.5	Low	128 Å²	128	70.9 Å²	70.9	56%	0.557	40%	0.395	S	S	*	.	H	α-helix	trans	-63.4	-39	174.4	-75.7	168.2	-179.2	159.3	0	111.8	D742 L744 A750	D742-K746 WeakPolarHBondContact O-CB 3.47Å; D742-K746 WeakPolarHBondContact O-CG 3.31Å; D742-K746 PolarHBondContact O-N 2.99Å; D742-K746 WeakPolarHBondContact OD1-CE 3.41Å; D742-K746 IonicContact OD1-NZ 2.87Å; D742-K746 PolarHBondContact OD1-NZ 2.03Å; D742-K746 WeakPolarHBondContact OD2-CE 3.41Å; D742-K746 IonicContact OD2-NZ 3.28Å; D742-K746 PolarHBondContact OD2-NZ 3.44Å; L744-K746 PolarHBondContact O-N 3.15Å; K746-A750 VanDerWaalsContact O-CB 3.23Å; K746-A750 WeakPolarHBondContact O-CB 3.34Å; K746-A750 PolarHBondContact O-N 2.88Å
747	S	61.8	Low	61.5	Low	31 Å²	31	75.9 Å²	75.9	22%	0.217	42%	0.417	C	S	.	.	H	α-helix	trans	-69.9	-39	177.7	75.8	0	0	0	0	113.3	R743 L744 Q745 A750 A751	R743-S747 WeakPolarHBondContact O-CB 3.33Å; R743-S747 PolarHBondContact O-N 3.07Å; R743-S747 PolarHBondContact O-OG 3.33Å; L744-S747 PolarHBondContact O-N 3.15Å; L744-S747 PolarHBondContact O-OG 3.13Å; Q745-S747 VanDerWaalsContact C-N 3.34Å; Q745-S747 PolarHBondContact O-N 3.34Å; S747-A750 PolarHBondContact O-N 2.9Å; S747-A751 WeakPolarHBondContact O-CB 3.4Å; S747-A751 PolarHBondContact O-N 3.28Å
748	S	63	Low	60.5	Low	74 Å²	74	80.8 Å²	80.8	52%	0.517	45%	0.446	S	S	.	.	H	α-helix	trans	-72.6	-37.7	177.6	64	0	0	0	0	111.8	L744 Q745 A751 A752	L744-S748 PolarHBondContact O-N 3.28Å; L744-S748 PolarHBondContact O-OG 2.84Å; Q745-S748 PolarHBondContact O-N 3.34Å; Q745-S748 PolarHBondContact O-OG 3.34Å; Q745-S748 VanDerWaalsContact O-OG 3.1Å; S748-A751 PolarHBondContact O-N 2.92Å; S748-A752 WeakPolarHBondContact O-CB 3.23Å; S748-A752 PolarHBondContact O-N 2.91Å
749	L	61.3	Low	59.3	Low	105 Å²	105	83 Å²	83	55%	0.55	46%	0.458	S	S	.	.	H	α-helix	trans	-64.7	-44.2	171.9	-173.4	146.9	0	0	0	111.2	Q745 A751 A752 Y753	Q745-L749 WeakPolarHBondContact O-CB 3.31Å; Q745-L749 PolarHBondContact O-N 2.79Å; L749-A751 VanDerWaalsContact C-N 3.35Å; L749-A751 PolarHBondContact O-N 3.23Å; L749-A752 PolarHBondContact O-N 3.46Å; L749-Y753 HydrophobicContact CD2-CD2 3.64Å; L749-Y753 HydrophobicContact CD2-CE2 3.68Å; L749-Y753 HydrophobicContact CG-CD2 4.07Å; L749-Y753 HydrophobicContact CG-CE2 4.05Å; L749-Y753 WeakPolarHBondContact O-CD2 3.04Å; L749-Y753 PolarHBondContact O-N 3.21Å
750	A	56.6	Low	58	Low	56 Å²	56	85 Å²	85	46%	0.463	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-41.9	174.2	0	0	0	0	0	112.4	K746 S747 Y753 A754	K746-A750 VanDerWaalsContact O-CB 3.23Å; K746-A750 WeakPolarHBondContact O-CB 3.34Å; K746-A750 PolarHBondContact O-N 2.88Å; S747-A750 PolarHBondContact O-N 2.9Å; A750-Y753 PolarHBondContact O-N 2.97Å; A750-A754 WeakPolarHBondContact O-CB 3.17Å; A750-A754 PolarHBondContact O-N 2.87Å
751	A	57.4	Low	56.6	Low	62 Å²	62	90.9 Å²	90.9	51%	0.512	50%	0.504	S	S	.	.	H	α-helix	trans	-63	-39.9	175	0	0	0	0	0	112.5	S747 S748 L749 A754 S755	S747-A751 WeakPolarHBondContact O-CB 3.4Å; S747-A751 PolarHBondContact O-N 3.28Å; S748-A751 PolarHBondContact O-N 2.92Å; L749-A751 VanDerWaalsContact C-N 3.35Å; L749-A751 PolarHBondContact O-N 3.23Å; A751-A754 PolarHBondContact O-N 3.4Å; A751-S755 PolarHBondContact O-N 2.98Å
752	A	55.1	Low	55	Low	50 Å²	50	95 Å²	95	41%	0.413	53%	0.527	S	S	.	.	H	α-helix	trans	-65.8	-42	174.9	0	0	0	0	0	112.7	S748 L749 S755 T756	S748-A752 WeakPolarHBondContact O-CB 3.23Å; S748-A752 PolarHBondContact O-N 2.91Å; L749-A752 PolarHBondContact O-N 3.46Å; A752-S755 PolarHBondContact O-N 2.7Å; A752-S755 PolarHBondContact O-OG 3.08Å; A752-T756 PolarHBondContact O-N 2.81Å; A752-T756 VanDerWaalsContact O-N 3.11Å; A752-T756 PolarHBondContact O-OG1 2.76Å
753	Y	48.1	Very low	53.2	Low	99 Å²	99	100 Å²	100	39%	0.388	55%	0.554	S	S	.	*	H	α-helix	trans	-65.9	-39.5	174.5	-90.3	-90.1	0	0	0	112.1	L749 A750 T756 I757 I805	L749-Y753 HydrophobicContact CD2-CD2 3.64Å; L749-Y753 HydrophobicContact CD2-CE2 3.68Å; L749-Y753 HydrophobicContact CG-CD2 4.07Å; L749-Y753 HydrophobicContact CG-CE2 4.05Å; L749-Y753 WeakPolarHBondContact O-CD2 3.04Å; L749-Y753 PolarHBondContact O-N 3.21Å; A750-Y753 PolarHBondContact O-N 2.97Å; Y753-T756 PolarHBondContact O-N 2.7Å; Y753-I757 WeakPolarHBondContact O-CG1 3.24Å; Y753-I757 PolarHBondContact O-N 2.66Å; Y753-I805 WeakPolarHBondContact OH-CD1 3.4Å
754	A	52	Low	51.4	Low	62 Å²	62	101.9 Å²	101.9	51%	0.512	57%	0.569	S	S	.	*	H	α-helix	trans	-62.7	-41.7	176.4	0	0	0	0	0	112.4	A750 A751 T756 N758	A750-A754 WeakPolarHBondContact O-CB 3.17Å; A750-A754 PolarHBondContact O-N 2.87Å; A751-A754 PolarHBondContact O-N 3.4Å; A754-T756 VanDerWaalsContact C-N 3.29Å; A754-T756 PolarHBondContact O-N 3.28Å; A754-N758 PolarHBondContact O-N 3.29Å
755	S	54.2	Low	49.8	Very low	69 Å²	69	107.2 Å²	107.2	48%	0.483	60%	0.602	S	S	.	*	H	α-helix	trans	-67.5	-29.9	175.2	71.7	0	0	0	0	112.7	A751 A752 N759	A751-S755 PolarHBondContact O-N 2.98Å; A752-S755 PolarHBondContact O-N 2.7Å; A752-S755 PolarHBondContact O-OG 3.08Å; S755-N759 PolarHBondContact O-ND2 2.6Å
756	T	49.1	Very low	47.8	Very low	83 Å²	83	104.9 Å²	104.9	51%	0.509	61%	0.61	S	S	.	*	H	α-helix	trans	-72.6	-45.4	177.4	-52.6	0	0	0	0	112	A752 Y753 A754 N758 N759	A752-T756 PolarHBondContact O-N 2.81Å; A752-T756 VanDerWaalsContact O-N 3.11Å; A752-T756 PolarHBondContact O-OG1 2.76Å; Y753-T756 PolarHBondContact O-N 2.7Å; A754-T756 VanDerWaalsContact C-N 3.29Å; A754-T756 PolarHBondContact O-N 3.28Å; T756-N758 VanDerWaalsContact C-N 3.32Å; T756-N758 PolarHBondContact O-N 2.89Å; T756-N759 PolarHBondContact O-N 3.43Å
757	I	45.6	Very low	46	Very low	129 Å²	129	106.8 Å²	106.8	66%	0.662	63%	0.625	S	S	*	*	H	α-helix	trans	-64.5	-35.9	-176.9	-69.8	168.7	0	0	0	111.9	Y753 N759	Y753-I757 WeakPolarHBondContact O-CG1 3.24Å; Y753-I757 PolarHBondContact O-N 2.66Å; I757-N759 VanDerWaalsContact C-N 3.31Å; I757-N759 PolarHBondContact O-N 2.79Å
758	N	47.7	Very low	44.3	Very low	138 Å²	138	114.7 Å²	114.7	74%	0.738	66%	0.655	S	S	*	*	H	α-helix	trans	-74.8	-16.7	-176.1	-153	31.4	0	0	0	114	A754 T756	A754-N758 PolarHBondContact O-N 3.29Å; T756-N758 VanDerWaalsContact C-N 3.32Å; T756-N758 PolarHBondContact O-N 2.89Å
759	N	45.4	Very low	42.9	Very low	127 Å²	127	116.3 Å²	116.3	68%	0.679	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-85.5	-13.6	-175.3	-83.8	-19.4	0	0	0	114.9	S755 T756 I757 N761	S755-N759 PolarHBondContact O-ND2 2.6Å; T756-N759 PolarHBondContact O-N 3.43Å; I757-N759 VanDerWaalsContact C-N 3.31Å; I757-N759 PolarHBondContact O-N 2.79Å; N759-N761 VanDerWaalsContact C-N 3.26Å; N759-N761 PolarHBondContact O-N 3.16Å
760	N	41.2	Very low	41.3	Very low	143 Å²	143	119.6 Å²	119.6	77%	0.765	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-76	-1.3	-171.8	-85.7	-8.2	0	0	0	115.8
761	N	39.2	Very low	39.7	Very low	148 Å²	148	122.4 Å²	122.4	79%	0.791	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-114.9	2.2	-168.6	-94.6	-9.7	0	0	0	116.5	N759	N759-N761 VanDerWaalsContact C-N 3.26Å; N759-N761 PolarHBondContact O-N 3.16Å
762	N	35.8	Very low	38.3	Very low	153 Å²	153	124.6 Å²	124.6	82%	0.818	71%	0.708	S	S	*	*			trans	-146.7	113	174.2	-86.6	-59.7	0	0	0	113
763	N	30.3	Very low	37	Very low	159 Å²	159	126.9 Å²	126.9	85%	0.85	72%	0.721	S	S	*	*			trans	-90.7	118.6	168.5	-75.9	-41.5	0	0	0	110.3
764	H	31.7	Very low	35.9	Very low	180 Å²	180	127.4 Å²	127.4	83%	0.833	74%	0.739	S	S	*	*				176.3	161	125.9	-109.7	-86.2	0	0	0	113.7
765	V	33	Very low	34.6	Very low	135 Å²	135	129.6 Å²	129.6	82%	0.818	75%	0.751	S	S	*	*			trans	69.4	120.1	174.3	-164.9	0	0	0	0	115
766	G	27.3	Very low	33.3	Very low	72 Å²	72	131.2 Å²	131.2	74%	0.742	76%	0.762	S	S	*	*			trans	-124.5	158.2	173.6	0	0	0	0	0	112.1
767	I	30.6	Very low	32.1	Very low	168 Å²	168	134.3 Å²	134.3	86%	0.862	78%	0.775	S	S	*	*			trans	-129.5	142.9	173.9	-61.7	179.2	0	0	0	108.8
768	K	26.6	Very low	31.1	Very low	196 Å²	196	133.7 Å²	133.7	85%	0.852	78%	0.782	S	S	*	*			trans	-147.5	164.5	178.9	-102.2	-168.8	176.1	-177.1	0	107.6
769	P	32.4	Very low	29.9	Very low	108 Å²	108	134.3 Å²	134.3	70%	0.701	78%	0.783	S	S	*	*			cis	-130.4	-167.1	-39.5	39.6	-23.8	0	0	0	109.8
770	I	28.4	Very low	29.1	Very low	175 Å²	175	135.2 Å²	135.2	90%	0.897	79%	0.787	S	S	*	*			trans	-166.8	150.8	140.8	-101.3	151.8	0	0	0	107.9
771	S	22.7	Very low	28.2	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	79%	0.786	S	S	*	*			trans	-151.9	131.8	-168.8	56.6	0	0	0	0	113.5
772	S	27.5	Very low	27.4	Very low	108 Å²	108	134.4 Å²	134.4	76%	0.755	79%	0.787	S	S	*	*			trans	-159.1	133	164	54.3	0	0	0	0	113.1
773	S	27.2	Very low	26.9	Very low	99 Å²	99	132.3 Å²	132.3	69%	0.692	78%	0.78	S	S	*	*			trans	56.9	104	148.9	57.8	0	0	0	0	121.1
774	S	25.1	Very low	26.5	Very low	109 Å²	109	131 Å²	131	76%	0.762	78%	0.778	S	S	*	*				38.1	137.1	115.7	62.5	0	0	0	0	120.3
775	S	26.2	Very low	26.1	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	77%	0.774	S	S	*	*			cis	-149.4	145.5	32.5	-58.7	0	0	0	0	116
776	S	26.7	Very low	25.8	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	77%	0.773	S	S	*	*			trans	52.2	105.9	138.6	-60.1	0	0	0	0	123.2
777	D	24.1	Very low	25.5	Very low	148 Å²	148	132.7 Å²	132.7	79%	0.791	77%	0.77	S	S	*	*				54.7	106.5	121.2	-51.2	-45.4	0	0	0	121.5
778	C	23.7	Very low	25.3	Very low	117 Å²	117	130.7 Å²	130.7	79%	0.791	77%	0.766	S	S	*	*				-152.1	86.5	129.4	-150	0	0	0	0	112.9	I780	C778-I780 PolarHBondContact O-N 2.85Å
779	I	23.5	Very low	25.2	Very low	150 Å²	150	126.6 Å²	126.6	77%	0.769	76%	0.761	S	S	*	*			trans	-77.5	107.9	162.3	-63.3	174.1	0	0	0	107.3	K781	I779-K781 VanDerWaalsContact C-N 3.34Å; I779-K781 PolarHBondContact O-N 3.28Å
780	I	27.6	Very low	24.8	Very low	147 Å²	147	128.3 Å²	128.3	75%	0.754	77%	0.77	S	S	*	*			trans	-72.6	90.4	175.9	-57.2	179.8	0	0	0	109.1	C778 A782	C778-I780 PolarHBondContact O-N 2.85Å; I780-A782 PolarHBondContact O-N 3.1Å
781	K	23.1	Very low	24.7	Very low	175 Å²	175	127.3 Å²	127.3	76%	0.761	77%	0.765	S	S	*	*			trans	-68	106.8	165.3	-79.6	-178.9	175.7	177.9	0	109.4	I779 T783	I779-K781 VanDerWaalsContact C-N 3.34Å; I779-K781 PolarHBondContact O-N 3.28Å; K781-T783 PolarHBondContact O-N 2.75Å
782	A	22.8	Very low	24.9	Very low	98 Å²	98	128.5 Å²	128.5	81%	0.81	76%	0.763	S	S	*	*			trans	-69.3	120.1	154.5	0	0	0	0	0	108	I780	I780-A782 PolarHBondContact O-N 3.1Å
783	T	24.1	Very low	25	Very low	109 Å²	109	128.6 Å²	128.6	67%	0.669	76%	0.759	S	S	*	*			trans	-149.1	123	174.2	-59.8	0	0	0	0	109.1	K781	K781-T783 PolarHBondContact O-N 2.75Å
784	T	22.2	Very low	25.1	Very low	131 Å²	131	130.3 Å²	130.3	80%	0.804	76%	0.76	S	S	*	*			trans	-91.9	115.6	-171	-28.8	0	0	0	0	111
785	T	24	Very low	25.4	Very low	121 Å²	121	131 Å²	131	74%	0.742	76%	0.755	S	S	*	*			trans	-144.9	104	162.8	21.2	0	0	0	0	107.7
786	Y	25	Very low	25.5	Very low	207 Å²	207	132.3 Å²	132.3	81%	0.812	75%	0.754	S	S	*	*				77.2	140.5	82.1	-87.1	-69.9	0	0	0	113.8
787	S	22.6	Very low	25.8	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	76%	0.762	S	S	*	*			trans	-69.6	-174.4	170.6	46.4	0	0	0	0	112.3
788	T	24.9	Very low	26	Very low	126 Å²	126	133.8 Å²	133.8	77%	0.773	76%	0.764	S	S	*	*			trans	78.6	96.7	175.8	63.4	0	0	0	0	117.8
789	S	24.9	Very low	26.6	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	76%	0.76	S	S	*	*			trans	42.6	101.4	135.3	57.1	0	0	0	0	119.6
790	T	24.9	Very low	27	Very low	144 Å²	144	134 Å²	134	88%	0.883	77%	0.765	S	S	*	*			trans	-69.6	123.7	164.1	45.8	0	0	0	0	113.1
791	I	26.5	Very low	27	Very low	155 Å²	155	133.9 Å²	133.9	80%	0.795	76%	0.764	S	S	*	*			trans	-133.6	107	154.3	-63.7	-174.7	0	0	0	109.9
792	N	26.6	Very low	27.3	Very low	139 Å²	139	129.8 Å²	129.8	74%	0.743	76%	0.757	S	S	*	*			trans	56.2	132.8	149.6	-75.5	-5.5	0	0	0	124.7
793	T	29.2	Very low	27.7	Very low	109 Å²	109	131.7 Å²	131.7	67%	0.669	76%	0.759	S	S	*	*			trans	84.5	102.3	133.8	50.7	0	0	0	0	123.2
794	N	29.1	Very low	28	Very low	135 Å²	135	132.3 Å²	132.3	72%	0.722	76%	0.757	S	S	*	*				85.4	123.4	113.9	-66.2	5.8	0	0	0	123.3
795	N	31.3	Very low	28.4	Very low	125 Å²	125	130 Å²	130	67%	0.668	74%	0.739	S	S	*	*			trans	87.5	107.2	135.1	-64.1	-1.4	0	0	0	122
796	N	28.7	Very low	28.7	Very low	135 Å²	135	131.7 Å²	131.7	72%	0.722	74%	0.744	S	S	*	*				56.6	107.4	124.5	-53	-8.8	0	0	0	120.1
797	T	32.8	Very low	28.9	Very low	144 Å²	144	126.2 Å²	126.2	88%	0.883	73%	0.732	S	S	*	*				-171.9	172.5	99.4	22	0	0	0	0	111.2
798	T	29.4	Very low	29.4	Very low	137 Å²	137	127.4 Å²	127.4	84%	0.84	74%	0.735	S	S	*	*			trans	-111.9	-169	-166.9	60.4	0	0	0	0	111.9
799	P	35.5	Very low	29.4	Very low	108 Å²	108	126.3 Å²	126.3	70%	0.701	73%	0.733	S	S	*	*				-125.7	-177.2	-106.8	37.6	-17.9	0	0	0	114.2
800	D	31.5	Very low	29.3	Very low	163 Å²	163	130.4 Å²	130.4	87%	0.872	74%	0.737	S	S	*	*			trans	-165.9	172.7	132	-114	-26.8	0	0	0	113.6
801	I	28.3	Very low	29.3	Very low	146 Å²	146	129 Å²	129	75%	0.749	73%	0.728	S	S	*	*			trans	-120.3	131.8	-156.5	-68	176.8	0	0	0	115.5
802	S	29.6	Very low	29.2	Very low	88 Å²	88	128.7 Å²	128.7	62%	0.615	73%	0.726	S	S	*	*			trans	61	124.4	155.8	74.7	0	0	0	0	121
803	T	30.6	Very low	29.2	Very low	138 Å²	138	126.9 Å²	126.9	85%	0.847	73%	0.725	S	S	*	*				-163.1	146.8	121.8	23.7	0	0	0	0	107.8
804	I	30.1	Very low	29	Very low	123 Å²	123	127.9 Å²	127.9	63%	0.631	73%	0.726	S	S	*	*			cis	178.2	131.5	-32.3	-112.8	169.4	0	0	0	104.4
805	I	30.6	Very low	28.8	Very low	81 Å²	81	127.2 Å²	127.2	42%	0.415	72%	0.723	S	S	.	*			trans	39.2	115.1	142.6	-47.7	169	0	0	0	118	Y753 T807	Y753-I805 WeakPolarHBondContact OH-CD1 3.4Å; I805-T807 WeakPolarHBondContact CG2-OG1 3.29Å
806	N	30.6	Very low	28.4	Very low	157 Å²	157	128 Å²	128	84%	0.84	73%	0.727	S	S	*	*				-173.1	106.8	117.5	-93.1	-50.7	0	0	0	109
807	T	28.5	Very low	28.1	Very low	92 Å²	92	127.3 Å²	127.3	56%	0.564	73%	0.727	S	S	*	*			cis	85.7	107	40	-51.8	0	0	0	0	113.4	I805	I805-T807 WeakPolarHBondContact CG2-OG1 3.29Å
808	T	33.4	Very low	27.6	Very low	122 Å²	122	128 Å²	128	75%	0.748	72%	0.72	S	S	*	*			trans	-18.3	136.8	157.6	52.5	0	0	0	0	117.7
809	S	24.4	Very low	27.3	Very low	102 Å²	102	128 Å²	128	71%	0.713	72%	0.715	S	S	*	*				177.4	146.3	129.4	-83.4	0	0	0	0	112.9
810	K	23.3	Very low	26.8	Very low	196 Å²	196	126.9 Å²	126.9	85%	0.852	72%	0.715	S	S	*	*			trans	70.9	157.8	176.6	-46.3	162	-172.7	174.1	0	112.1
811	T	25.1	Very low	26.5	Very low	115 Å²	115	126.6 Å²	126.6	71%	0.706	71%	0.712	S	S	*	*			cis	-142.2	132.8	20.5	38	0	0	0	0	111.7
812	I	25.1	Very low	26.6	Very low	147 Å²	147	124.9 Å²	124.9	75%	0.754	71%	0.711	S	S	*	*				69.7	120.5	96.8	-57.2	169.7	0	0	0	116.6
813	S	26.4	Very low	26.4	Very low	102 Å²	102	127.2 Å²	127.2	71%	0.713	72%	0.716	S	S	*	*			trans	140.7	144.7	146.6	56.3	0	0	0	0	111.4
814	N	25.2	Very low	26.1	Very low	129 Å²	129	125.1 Å²	125.1	69%	0.69	71%	0.707	S	S	*	*			cis	-155.8	148.7	-8.3	-107.2	-5	0	0	0	111.1
815	N	24.1	Very low	25.9	Very low	122 Å²	122	125 Å²	125	65%	0.652	71%	0.712	S	S	*	*			trans	52.7	123.8	140.3	-56.2	-10.6	0	0	0	123.5
816	N	22.9	Very low	25.5	Very low	141 Å²	141	126 Å²	126	75%	0.754	72%	0.723	S	S	*	*				83.7	135.2	126.2	-66.7	3.2	0	0	0	123.8
817	V	23.5	Very low	25.2	Very low	121 Å²	121	128.3 Å²	128.3	73%	0.733	72%	0.721	S	S	*	*			trans	87	113.5	137.4	164.3	0	0	0	0	121.2
818	E	22.3	Very low	25.1	Very low	158 Å²	158	131.1 Å²	131.1	74%	0.738	73%	0.731	S	S	*	*			trans	61.3	133.3	138.5	-67.6	-172.8	131.7	0	0	126
819	N	23.3	Very low	24.5	Very low	136 Å²	136	131.5 Å²	131.5	73%	0.727	73%	0.733	S	S	*	*			trans	69	140.7	134.8	-62.8	-27.1	0	0	0	124.5
820	A	24	Very low	24.5	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	74%	0.737	S	S	*	*			trans	66.7	140.3	151.9	0	0	0	0	0	118.8
821	I	25.4	Very low	24.5	Very low	157 Å²	157	128 Å²	128	81%	0.805	73%	0.729	S	S	*	*			cis	70	133.3	43.6	-57.4	171	0	0	0	112.3
822	P	30.9	Very low	24.5	Very low	110 Å²	110	127.7 Å²	127.7	71%	0.714	74%	0.738	S	S	*	*			cis	-114.4	-138.1	-16.8	29.4	-5.3	0	0	0	109.3
823	D	23.8	Very low	24.5	Very low	137 Å²	137	125.4 Å²	125.4	73%	0.733	74%	0.735	S	S	*	*			cis	-162.5	174.5	-7.1	-142	-47.3	0	0	0	111
824	S	25.1	Very low	24.3	Very low	94 Å²	94	132.3 Å²	132.3	66%	0.657	75%	0.747	S	S	*	*			trans	58.1	163.1	147.9	82.2	0	0	0	0	120.8
825	T	25.4	Very low	24.4	Very low	120 Å²	120	132.2 Å²	132.2	74%	0.736	75%	0.75	S	S	*	*			cis	-133.4	-152.1	2.5	-34.5	0	0	0	0	111.3
826	T	23.7	Very low	24.5	Very low	103 Å²	103	134.4 Å²	134.4	63%	0.632	76%	0.757	S	S	*	*			trans	-155.6	175.5	-157.8	-20.8	0	0	0	0	113.9
827	Y	24	Very low	24.7	Very low	204 Å²	204	133.4 Å²	133.4	80%	0.8	76%	0.758	S	S	*	*			trans	87.5	155.6	163.2	-44.1	-64.9	0	0	0	117.5
828	I	25.6	Very low	24.8	Very low	152 Å²	152	136.2 Å²	136.2	78%	0.779	76%	0.763	S	S	*	*			cis	-128	139.8	5.3	-58	162.8	0	0	0	110.6
829	V	21.1	Very low	25.1	Very low	130 Å²	130	135 Å²	135	79%	0.788	77%	0.766	S	S	*	*			trans	-118.9	137	153.2	168.7	0	0	0	0	107	T831	V829-T831 HydrophobicContact CG1-CG2 4.15Å
830	S	23.8	Very low	25.3	Very low	115 Å²	115	135 Å²	135	80%	0.804	77%	0.771	S	S	*	*			trans	-121.5	103	176.3	-166.2	0	0	0	0	110.2
831	T	23.6	Very low	25.5	Very low	110 Å²	110	137.1 Å²	137.1	68%	0.675	78%	0.775	S	S	*	*			trans	-99.1	115.4	172.9	49	0	0	0	0	109.7	V829	V829-T831 HydrophobicContact CG1-CG2 4.15Å
832	A	25.5	Very low	25.7	Very low	108 Å²	108	137.4 Å²	137.4	89%	0.893	78%	0.778	S	S	*	*			trans	-89.1	112.5	165.7	0	0	0	0	0	109
833	S	24.9	Very low	25.7	Very low	99 Å²	99	139.4 Å²	139.4	69%	0.692	78%	0.783	S	S	*	*			trans	-93.6	138.9	-171.9	-53	0	0	0	0	112.5	V835	S833-V835 PolarHBondContact O-N 2.77Å
834	Y	22.7	Very low	25.9	Very low	246 Å²	246	137.8 Å²	137.8	97%	0.965	78%	0.783	S	S	*	*			trans	-91.5	92.5	163.8	-123.9	-78.6	0	0	0	109.8
835	V	26.8	Very low	26.1	Very low	127 Å²	127	145.2 Å²	145.2	77%	0.77	80%	0.796	S	S	*	*			trans	-141.7	147.6	165.2	-176.7	0	0	0	0	108.4	S833	S833-V835 PolarHBondContact O-N 2.77Å
836	E	26.2	Very low	26.3	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	80%	0.798	S	S	*	*			trans	-63	151.3	-163.6	-61.2	166.4	115.9	0	0	116	H838	E836-H838 PolarHBondContact O-N 3.14Å; E836-H838 VanDerWaalsContact O-N 3.14Å
837	P	26.2	Very low	26.5	Very low	120 Å²	120	150 Å²	150	78%	0.779	81%	0.812	S	S	*	*			trans	-82.5	90.8	-175.9	33.3	-35.9	0	0	0	113.5
838	H	25.8	Very low	26.9	Very low	181 Å²	181	146 Å²	146	84%	0.838	82%	0.815	S	S	*	*			trans	-128.1	72.1	170.1	-80.6	-9.7	0	0	0	113.2	E836	E836-H838 PolarHBondContact O-N 3.14Å; E836-H838 VanDerWaalsContact O-N 3.14Å
839	T	28.5	Very low	27.1	Very low	132 Å²	132	141.9 Å²	141.9	81%	0.81	81%	0.809	S	S	*	*			trans	-109.4	88.2	169.3	41	0	0	0	0	111.6	V841	T839-V841 PolarHBondContact O-N 3.29Å; T839-V841 VanDerWaalsContact O-N 3.15Å
840	T	27.4	Very low	27.6	Very low	135 Å²	135	140.4 Å²	140.4	83%	0.828	81%	0.805	S	S	*	*			trans	-68.5	106.6	165.9	50.4	0	0	0	0	109.8	N842	T840-N842 PolarHBondContact O-N 3.28Å
841	V	30.1	Very low	28	Very low	132 Å²	132	143.2 Å²	143.2	80%	0.8	80%	0.803	S	S	*	*			trans	-69.1	127.3	167.8	175.2	0	0	0	0	108.7	T839 D843	T839-V841 PolarHBondContact O-N 3.29Å; T839-V841 VanDerWaalsContact O-N 3.15Å; V841-D843 PolarHBondContact O-N 2.94Å
842	N	28.4	Very low	28.5	Very low	162 Å²	162	144.4 Å²	144.4	87%	0.866	81%	0.805	S	S	*	*			trans	-69.8	108.1	168.1	-77.3	-54.8	0	0	0	109.3	T840	T840-N842 PolarHBondContact O-N 3.28Å
843	D	30.1	Very low	28.8	Very low	152 Å²	152	148.9 Å²	148.9	81%	0.813	80%	0.8	S	S	*	*			trans	-127.1	139.5	152.3	-155.2	-10.5	0	0	0	110.2	V841	V841-D843 PolarHBondContact O-N 2.94Å
844	S	28.7	Very low	29	Very low	104 Å²	104	150.2 Å²	150.2	73%	0.727	80%	0.799	S	S	*	*			trans	-109	80.7	-148.2	56.3	0	0	0	0	113.4
845	R	29.8	Very low	29.3	Very low	250 Å²	250	146.7 Å²	146.7	94%	0.943	79%	0.789	S	S	*	*			trans	-163.4	107.2	162.3	-104.4	142.8	-171	-163.2	4.8	115.6
846	G	29	Very low	29.5	Very low	75 Å²	75	145.2 Å²	145.2	77%	0.773	78%	0.78	S	S	*	*				95	107.2	129.9	0	0	0	0	0	121.3
847	R	29.1	Very low	29.7	Very low	247 Å²	247	143.4 Å²	143.4	93%	0.932	78%	0.776	S	S	*	*			trans	71	115.2	146.2	-73.6	-179	162	160.3	-4.6	121.4
848	S	31.2	Very low	29.9	Very low	121 Å²	121	144 Å²	144	85%	0.846	77%	0.773	S	S	*	*			trans	66.4	135.2	151	-146.9	0	0	0	0	117
849	G	29.7	Very low	30.3	Very low	65 Å²	65	143.4 Å²	143.4	67%	0.67	78%	0.776	S	S	*	*			cis	96.8	128.4	19.7	0	0	0	0	0	109.9
850	S	31.7	Very low	30.5	Very low	99 Å²	99	144.4 Å²	144.4	69%	0.692	78%	0.776	S	S	*	*			cis	-167.2	155.5	26.3	-159.9	0	0	0	0	112.7
851	K	33.4	Very low	31.1	Very low	175 Å²	175	141.8 Å²	141.8	76%	0.761	76%	0.762	S	S	*	*			trans	69.6	157.9	157.3	-65	154.5	-174	-179.9	0	118.7
852	N	33.5	Very low	31.3	Very low	135 Å²	135	143 Å²	143	72%	0.722	76%	0.758	S	S	*	*			cis	-162.1	137.5	-25	-110	8.9	0	0	0	111.7
853	Y	31	Very low	31.6	Very low	201 Å²	201	142.2 Å²	142.2	79%	0.788	75%	0.749	S	S	*	*				37.9	124.5	125.2	-97.9	-107.8	0	0	0	123.1
854	N	30	Very low	31.9	Very low	127 Å²	127	142.1 Å²	142.1	68%	0.679	74%	0.743	S	S	*	*			trans	82.1	106.4	132.1	-90.7	9.8	0	0	0	124.5
855	K	29.6	Very low	32.2	Very low	173 Å²	173	142.6 Å²	142.6	75%	0.752	74%	0.738	S	S	*	*				95.4	150.7	107.2	-129.7	-171	174.1	-167.9	0	122.3
856	T	29.6	Very low	32.4	Very low	95 Å²	95	138.3 Å²	138.3	58%	0.583	73%	0.734	S	S	*	*			trans	77.2	105.1	154.2	42.1	0	0	0	0	122.4
857	D	30.2	Very low	32.6	Very low	130 Å²	130	138.6 Å²	138.6	70%	0.695	74%	0.737	S	S	*	*				89.1	124.4	117.1	-56.6	-4.8	0	0	0	124
858	N	31.8	Very low	32.8	Very low	134 Å²	134	132.7 Å²	132.7	72%	0.717	73%	0.728	S	S	*	*			trans	61.5	108.4	141.7	-59.7	-20.9	0	0	0	121.7
859	N	33.7	Very low	33	Very low	168 Å²	168	133.7 Å²	133.7	90%	0.898	72%	0.724	S	S	*	*				-175.7	166.6	90	-92.9	-59.1	0	0	0	113.8
860	N	33.3	Very low	33.1	Very low	152 Å²	152	136.8 Å²	136.8	81%	0.813	73%	0.725	S	S	*	*			trans	-124.7	-174.7	-172.1	-143.1	7.8	0	0	0	109.5
861	P	38.6	Very low	33.3	Very low	81 Å²	81	137.5 Å²	137.5	53%	0.526	72%	0.721	S	S	.	*			cis	-127.9	-178	-38.4	32.3	-13.6	0	0	0	113.5
862	H	34.6	Very low	33.4	Very low	156 Å²	156	136.3 Å²	136.3	72%	0.722	72%	0.718	S	S	*	*				168.1	120.7	119.1	-87.8	-57.9	0	0	0	117.5
863	H	35.7	Very low	33.5	Very low	146 Å²	146	135 Å²	135	68%	0.676	72%	0.715	S	S	*	*			trans	50.5	118.6	143	-63.9	-56.2	0	0	0	127.2
864	H	36.2	Very low	33.6	Very low	150 Å²	150	131.7 Å²	131.7	69%	0.694	71%	0.711	S	S	*	*				70.3	108.7	121.9	-67.6	-41.6	0	0	0	125.6
865	N	35.3	Very low	33.9	Very low	115 Å²	115	131.9 Å²	131.9	62%	0.615	71%	0.712	S	S	*	*				50.9	127.9	105	-62.7	21.1	0	0	0	124
866	N	33.7	Very low	34	Very low	159 Å²	159	129.4 Å²	129.4	85%	0.85	71%	0.707	S	S	*	*			trans	59.7	143.1	131.9	-60	-12	0	0	0	122.2
867	G	32.9	Very low	34.2	Very low	81 Å²	81	134 Å²	134	84%	0.835	72%	0.715	S	S	*	*			trans	165.5	86	164.3	0	0	0	0	0	117.5
868	T	33.8	Very low	34.5	Very low	124 Å²	124	133.7 Å²	133.7	76%	0.761	71%	0.713	S	S	*	*			trans	-63.9	164.8	179.8	39.7	0	0	0	0	118.4
869	N	33.7	Very low	34.6	Very low	141 Å²	141	133.5 Å²	133.5	75%	0.754	71%	0.713	S	S	*	*			trans	72.9	156.3	153.1	-61.8	-11.8	0	0	0	117.5
870	N	33.7	Very low	34.6	Very low	130 Å²	130	130.9 Å²	130.9	70%	0.695	70%	0.703	S	S	*	*			cis	-170.2	-174.5	32.5	-137.8	-7.2	0	0	0	112.3
871	N	34.1	Very low	34.6	Very low	114 Å²	114	129.6 Å²	129.6	61%	0.61	70%	0.701	S	S	*	*			trans	74.8	153	153	-68.4	-7.4	0	0	0	119.7
872	H	36.4	Very low	34.4	Very low	150 Å²	150	131.5 Å²	131.5	69%	0.694	71%	0.711	S	S	*	*			cis	-159	160.1	0.6	-118.7	-8.7	0	0	0	115.3
873	T	34.8	Very low	34.2	Very low	108 Å²	108	128.5 Å²	128.5	66%	0.663	71%	0.707	S	S	*	*			trans	51	140.7	145.3	61.5	0	0	0	0	125.1
874	N	34.6	Very low	34	Very low	132 Å²	132	127.6 Å²	127.6	71%	0.706	71%	0.712	S	S	*	*				176.7	121.6	109.8	-88.2	22.9	0	0	0	108.7
875	D	35.2	Very low	33.8	Very low	131 Å²	131	125.7 Å²	125.7	70%	0.701	71%	0.712	S	S	*	*				78	147.3	95.9	-73.7	-49.1	0	0	0	116.3
876	N	31.9	Very low	33.7	Very low	120 Å²	120	125.4 Å²	125.4	64%	0.642	71%	0.714	S	S	*	*			cis	-169.3	169.3	-29.7	-144	-40.3	0	0	0	110.7
877	Y	35.1	Very low	33.6	Very low	192 Å²	192	123.1 Å²	123.1	75%	0.753	71%	0.706	S	S	*	*			trans	70.6	118	160.1	-72.6	-63.6	0	0	0	125.1
878	N	35.6	Very low	33.4	Very low	123 Å²	123	124.8 Å²	124.8	66%	0.658	70%	0.7	S	S	*	*				75.2	113.2	127.8	-75.1	2.1	0	0	0	125.6
879	N	34.2	Very low	33.3	Very low	131 Å²	131	124 Å²	124	70%	0.701	70%	0.696	S	S	*	*				130.6	138.9	101.2	-90.8	-2.5	0	0	0	121.2
880	T	34.3	Very low	33.1	Very low	113 Å²	113	123 Å²	123	69%	0.693	70%	0.695	S	S	*	*			trans	77	112	148.5	36	0	0	0	0	124.3
881	T	32.7	Very low	33.1	Very low	125 Å²	125	121.9 Å²	121.9	77%	0.767	69%	0.694	S	S	*	*			trans	67.4	145.1	141.8	46.4	0	0	0	0	119.8
882	T	33.5	Very low	32.7	Very low	120 Å²	120	121.5 Å²	121.5	74%	0.736	70%	0.701	S	S	*	*			cis	-149.9	160.5	13.9	-18.5	0	0	0	0	112.7
883	S	30	Very low	32.2	Very low	93 Å²	93	121.3 Å²	121.3	65%	0.65	70%	0.704	S	S	*	*			trans	8.8	134.1	152.1	56.8	0	0	0	0	119.6
884	T	32.6	Very low	31.8	Very low	127 Å²	127	120.2 Å²	120.2	78%	0.779	70%	0.701	S	S	*	*			cis	-162.8	-169.1	17	2.3	0	0	0	0	109.5
885	T	32.5	Very low	31.4	Very low	111 Å²	111	120.8 Å²	120.8	68%	0.681	71%	0.705	S	S	*	*			cis	-154.7	174.3	19.6	-18.5	0	0	0	0	113.3
886	T	31.4	Very low	31	Very low	109 Å²	109	119.1 Å²	119.1	67%	0.669	70%	0.703	S	S	*	*			trans	-14.6	146.6	154.6	53	0	0	0	0	120.1
887	T	31.9	Very low	30.9	Very low	110 Å²	110	121.1 Å²	121.1	68%	0.675	71%	0.714	S	S	*	*			cis	-167.1	132.6	8.5	11.3	0	0	0	0	115
888	T	29.9	Very low	30.4	Very low	117 Å²	117	121 Å²	121	72%	0.718	72%	0.717	S	S	*	*				43.1	151.9	127.7	61.2	0	0	0	0	122.7
889	T	32	Very low	30.4	Very low	108 Å²	108	121 Å²	121	66%	0.663	72%	0.723	S	S	*	*			cis	-169.3	136.8	3.3	23.1	0	0	0	0	106.4
890	T	27.7	Very low	30.1	Very low	120 Å²	120	119.8 Å²	119.8	74%	0.736	72%	0.723	S	S	*	*				60.4	150.4	59.7	66.3	0	0	0	0	115.9
891	P	34.3	Very low	29.6	Very low	105 Å²	105	119.8 Å²	119.8	68%	0.682	72%	0.723	S	S	*	*			cis	-146.5	-175	-30.4	39.3	-20.3	0	0	0	116
892	S	26.5	Very low	29.3	Very low	107 Å²	107	122.7 Å²	122.7	75%	0.748	73%	0.725	S	S	*	*			trans	77.1	159.5	145.7	90.2	0	0	0	0	118.8
893	N	26	Very low	28.9	Very low	145 Å²	145	123.7 Å²	123.7	78%	0.775	73%	0.725	S	S	*	*			cis	-157.6	165.2	-8	-148.1	-10.9	0	0	0	113.7
894	S	26.4	Very low	28.6	Very low	85 Å²	85	130.8 Å²	130.8	59%	0.594	74%	0.739	S	S	*	*			trans	82.3	133.4	142.2	78.9	0	0	0	0	123.7
895	N	26.6	Very low	28.3	Very low	145 Å²	145	130 Å²	130	78%	0.775	73%	0.734	S	S	*	*			trans	92.5	121.2	137.2	-67.7	-12.7	0	0	0	124.2
896	S	26.5	Very low	27.9	Very low	96 Å²	96	129.3 Å²	129.3	67%	0.671	73%	0.733	S	S	*	*			trans	54.4	116.6	143.6	59.7	0	0	0	0	119.2
897	N	29	Very low	28	Very low	161 Å²	161	132.6 Å²	132.6	86%	0.861	73%	0.734	S	S	*	*				-156.5	166.9	60.7	-95.4	-56.2	0	0	0	114.9
898	K	25.3	Very low	28.1	Very low	190 Å²	190	134.8 Å²	134.8	83%	0.826	74%	0.737	S	S	*	*			trans	-72.4	154.9	173.5	-98.8	-174	173.7	179.7	0	112.2
899	P	35.5	Very low	28.4	Very low	122 Å²	122	134.3 Å²	134.3	79%	0.792	73%	0.73	S	S	*	*			trans	-75.5	157.1	179.4	33.9	-36.9	0	0	0	112
900	P	26.4	Very low	28.7	Very low	106 Å²	106	133.5 Å²	133.5	69%	0.688	73%	0.725	S	S	*	*			trans	-129.5	172.6	145.3	35.1	-22.2	0	0	0	112.5
901	T	25	Very low	29.1	Very low	114 Å²	114	134.6 Å²	134.6	70%	0.699	73%	0.726	S	S	*	*			trans	89.7	139.8	160.4	76.7	0	0	0	0	118.3
902	K	27	Very low	29.2	Very low	186 Å²	186	137.4 Å²	137.4	81%	0.809	73%	0.728	S	S	*	*			cis	-149.8	166.7	-11.4	-120.8	159.9	-166	170	0	112.5
903	L	24.7	Very low	29.5	Very low	140 Å²	140	135.3 Å²	135.3	73%	0.733	72%	0.717	S	S	*	*			trans	-45	142.7	176.3	-74.7	56.5	0	0	0	112.9	V905	L903-V905 HydrophobicContact CB-CG2 4.23Å; L903-V905 PolarHBondContact O-N 2.77Å
904	Y	23.8	Very low	29.9	Very low	242 Å²	242	135.5 Å²	135.5	95%	0.949	71%	0.711	S	S	*	*			trans	-59.3	120.6	146.3	-70	-95.5	0	0	0	108
905	V	26	Very low	30.3	Very low	111 Å²	111	136.3 Å²	136.3	67%	0.673	71%	0.714	S	S	*	*			trans	-107	125.3	170.5	178.8	0	0	0	0	107.2	L903	L903-V905 HydrophobicContact CB-CG2 4.23Å; L903-V905 PolarHBondContact O-N 2.77Å
906	C	25.1	Very low	30.9	Very low	97 Å²	97	137.1 Å²	137.1	66%	0.655	71%	0.713	S	S	*	*			trans	-74.2	153.2	-178.7	-141.1	0	0	0	0	110.8	E908	C906-E908 PolarHBondContact O-N 3Å
907	Y	31.6	Very low	31.4	Very low	177 Å²	177	140.1 Å²	140.1	69%	0.694	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	10.7	-168	-143.8	-94.5	0	0	0	114.6
908	E	35	Very low	31.6	Very low	156 Å²	156	138 Å²	138	73%	0.729	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-22.2	-171	-63.7	-173.4	117.5	0	0	114.2	C906	C906-E908 PolarHBondContact O-N 3Å
909	D	37	Very low	32	Very low	108 Å²	108	137.8 Å²	137.8	58%	0.578	71%	0.706	S	S	*	*	S	Bend	trans	-87.8	-11.5	-176.8	-88.2	-45.2	0	0	0	115.3	N911 K912	D909-N911 VanDerWaalsContact C-N 3.27Å; D909-N911 PolarHBondContact O-N 3.34Å; D909-K912 IonicContact OD1-NZ 3.26Å; D909-K912 PolarHBondContact OD1-NZ 3.47Å
910	V	38.4	Very low	31.8	Very low	90 Å²	90	136 Å²	136	55%	0.545	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-69.8	-24.8	-178.4	-177.1	0	0	0	0	112.2	K912 A913	V910-K912 PolarHBondContact O-N 3.27Å; V910-A913 PolarHBondContact O-N 2.87Å
911	N	35.6	Very low	32	Very low	144 Å²	144	138.9 Å²	138.9	77%	0.77	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-71.1	23.7	-178.1	-69.8	-40.9	0	0	0	115.2	D909	D909-N911 VanDerWaalsContact C-N 3.27Å; D909-N911 PolarHBondContact O-N 3.34Å
912	K	36.4	Very low	32.1	Very low	164 Å²	164	138 Å²	138	71%	0.713	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-129.4	-4.2	177.9	-66.5	171.3	-168.7	147.8	0	113.9	D909 V910	D909-K912 IonicContact OD1-NZ 3.26Å; D909-K912 PolarHBondContact OD1-NZ 3.47Å; V910-K912 PolarHBondContact O-N 3.27Å
913	A	33.3	Very low	32.1	Very low	63 Å²	63	132.7 Å²	132.7	52%	0.521	68%	0.683	S	S	.	*	S	Bend	trans	-75.4	149.2	173.9	0	0	0	0	0	111.3	V910	V910-A913 PolarHBondContact O-N 2.87Å
914	K	34.2	Very low	32.3	Very low	149 Å²	149	130.7 Å²	130.7	65%	0.648	68%	0.68	S	S	*	*			trans	-78.9	147.7	177.9	-70.6	-177.8	178.7	-179.4	0	111	E916	K914-E916 PolarHBondContact O-N 2.76Å; K914-E916 VanDerWaalsContact O-N 3.15Å
915	P	34.6	Very low	32.5	Very low	101 Å²	101	124.8 Å²	124.8	66%	0.656	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-13.3	-175	27.4	-35.6	0	0	0	114.9
916	E	39.1	Very low	32.6	Very low	162 Å²	162	125.9 Å²	125.9	76%	0.757	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-19.8	-172.4	-68	163.9	-175.1	0	0	114	K914	K914-E916 PolarHBondContact O-N 2.76Å; K914-E916 VanDerWaalsContact O-N 3.15Å
917	E	36	Very low	32.7	Very low	160 Å²	160	128 Å²	128	75%	0.748	67%	0.669	S	S	*	*	S	Bend	trans	-94.1	-10	-178.3	-65.5	-178.4	147.4	0	0	113.5
918	L	34.5	Very low	32.4	Very low	117 Å²	117	125.3 Å²	125.3	61%	0.613	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-88.5	-7.3	-172.3	-75.9	167.1	0	0	0	115	A920	L918-A920 VanDerWaalsContact C-N 3.31Å; L918-A920 PolarHBondContact O-N 3.41Å
919	Q	33.5	Very low	32.2	Very low	184 Å²	184	124.3 Å²	124.3	86%	0.86	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-81.7	-1	-175.8	-70.5	-172.1	-21.9	0	0	114.9
920	A	31.5	Very low	31.9	Very low	84 Å²	84	127.1 Å²	127.1	69%	0.694	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-113.4	2	-173.2	0	0	0	0	0	115.4	L918	L918-A920 VanDerWaalsContact C-N 3.31Å; L918-A920 PolarHBondContact O-N 3.41Å
921	F	28.9	Very low	31.5	Very low	167 Å²	167	131.5 Å²	131.5	73%	0.732	70%	0.703	S	S	*	*	S	Bend	trans	-136.6	130.3	-169.1	-85.5	-85.8	0	0	0	114.9
922	V	28.8	Very low	31.1	Very low	97 Å²	97	132.4 Å²	132.4	59%	0.588	71%	0.707	S	S	*	*			trans	70.4	124.3	166.6	-172.5	0	0	0	0	116.3	S924	V922-S924 PolarHBondContact O-N 3.48Å
923	P	26.7	Very low	30.8	Very low	74 Å²	74	134.2 Å²	134.2	48%	0.481	72%	0.715	S	S	.	*			trans	-79.9	103.9	168.4	13.7	-0	0	0	0	110.5	A414 I925	A414-P923 WeakPolarHBondContact O-CG 3.24Å; P923-I925 VanDerWaalsContact C-N 3.28Å; P923-I925 PolarHBondContact O-N 3.3Å
924	S	28.9	Very low	30.6	Very low	97 Å²	97	137.3 Å²	137.3	68%	0.678	73%	0.73	S	S	*	*			trans	-74.6	78.7	175.3	-55.4	0	0	0	0	112	V922	V922-S924 PolarHBondContact O-N 3.48Å
925	I	27.5	Very low	30.2	Very low	118 Å²	118	138.6 Å²	138.6	61%	0.605	74%	0.743	S	S	*	*			trans	-72.9	138.1	152.6	-66.3	173.4	0	0	0	107.2	F387 P923	F387-I925 HydrophobicContact CE1-CD1 3.92Å; F387-I925 HydrophobicContact CZ-CD1 4.1Å; P923-I925 VanDerWaalsContact C-N 3.28Å; P923-I925 PolarHBondContact O-N 3.3Å
926	L	28	Very low	29.9	Very low	135 Å²	135	139.4 Å²	139.4	71%	0.707	75%	0.749	S	S	*	*	S	Bend	trans	65.4	166.2	-173.1	-69.1	152.8	0	0	0	115.4
927	I	26.3	Very low	29.4	Very low	142 Å²	142	141 Å²	141	73%	0.728	75%	0.753	S	S	*	*			trans	76.9	130.9	-178.8	-51.8	174.1	0	0	0	115.9
928	N	26.9	Very low	29.1	Very low	119 Å²	119	142.5 Å²	142.5	64%	0.636	76%	0.757	S	S	*	*			trans	55.6	93.9	168.1	-73.9	-19.4	0	0	0	120
929	T	30.4	Very low	28.9	Very low	136 Å²	136	142.9 Å²	142.9	83%	0.834	76%	0.76	S	S	*	*	S	Bend		-167.8	76.1	119.4	35.5	0	0	0	0	111.7
930	N	31.4	Very low	28.8	Very low	167 Å²	167	141 Å²	141	89%	0.893	76%	0.756	S	S	*	*	S	Bend	trans	-139.9	1.1	162.2	-132.7	-3.7	0	0	0	113.9	N932	N930-N932 PolarHBondContact O-N 3.01Å
931	M	28.4	Very low	28.8	Very low	181 Å²	181	140.6 Å²	140.6	89%	0.892	76%	0.76	S	S	*	*			trans	-94.2	89.6	170.3	-69.9	-156	-178	0	0	110.3
932	N	28.6	Very low	29	Very low	163 Å²	163	136.8 Å²	136.8	87%	0.872	77%	0.768	S	S	*	*			trans	-152.3	50.6	165.5	-131.3	-13.3	0	0	0	114	N930	N930-N932 PolarHBondContact O-N 3.01Å
933	K	29	Very low	29.1	Very low	202 Å²	202	136.2 Å²	136.2	88%	0.878	78%	0.781	S	S	*	*			trans	-145.4	125.9	161	-107.2	178.5	-179	175.8	0	109.9
934	P	29.1	Very low	29.3	Very low	128 Å²	128	135.9 Å²	135.9	83%	0.831	79%	0.792	S	S	*	*			trans	-84.7	154.2	-175.9	33.1	-35.2	0	0	0	113.8
935	L	25.6	Very low	29.2	Very low	176 Å²	176	143.2 Å²	143.2	92%	0.921	81%	0.805	S	S	*	*			trans	-81.1	151.3	178.7	-78.4	152.9	0	0	0	113.8
936	P	29.5	Very low	29.5	Very low	119 Å²	119	147.8 Å²	147.8	77%	0.773	84%	0.838	S	S	*	*			trans	-115.1	120.3	148.9	33.2	-21.9	0	0	0	112.7
937	K	27.1	Very low	29.6	Very low	196 Å²	196	148.5 Å²	148.5	85%	0.852	84%	0.844	S	S	*	*			trans	-33.9	152	171.5	-52.6	164.2	-179.7	179.1	0	117.2
938	F	30.2	Very low	29.8	Very low	191 Å²	191	148.8 Å²	148.8	84%	0.838	85%	0.85	S	S	*	*				-167.8	130.3	116.7	-114.1	-78.8	0	0	0	112.9
939	N	31.9	Very low	29.9	Very low	124 Å²	124	150.4 Å²	150.4	66%	0.663	86%	0.862	S	S	*	*			trans	33.9	149	149.9	-73.8	48.6	0	0	0	123.8
940	D	31.1	Very low	29.9	Very low	144 Å²	144	151.3 Å²	151.3	77%	0.77	86%	0.864	S	S	*	*			cis	-167	143.9	-21.9	-129.8	-31.1	0	0	0	110.7
941	G	31.4	Very low	29.8	Very low	76 Å²	76	150.3 Å²	150.3	78%	0.784	86%	0.862	S	S	*	*			trans	69.8	136.5	177.1	0	0	0	0	0	116.2
942	G	31.5	Very low	29.9	Very low	87 Å²	87	148.3 Å²	148.3	90%	0.897	86%	0.86	S	S	*	*			cis	111.8	128	5	0	0	0	0	0	111.5
943	G	30.9	Very low	30	Very low	85 Å²	85	147.2 Å²	147.2	88%	0.876	86%	0.859	S	S	*	*			cis	-168.7	-173.3	-4.5	0	0	0	0	0	108.2
944	G	31.1	Very low	30.1	Very low	68 Å²	68	143 Å²	143	70%	0.701	86%	0.858	S	S	*	*			cis	165.4	175.7	1.3	0	0	0	0	0	110
945	R	27.6	Very low	30.1	Very low	250 Å²	250	144.3 Å²	144.3	94%	0.943	86%	0.86	S	S	*	*			trans	71.6	150.8	-172.3	-54.4	178.2	179.1	175	-0	114.2
946	V	33.8	Very low	30.5	Very low	215 Å²	215	141.4 Å²	141.4	100%	1.303	86%	0.855	S	S	*	*			cis	-92.6	0	-0.5	174	0	0	0	0	111

Retrieved 946 of 946 residues in 1558 ms (Link to these results)

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