A0A077ZLX5_TRITR Loading...

PAZ and DUF1785 and Piwi domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZLX5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 880 aa.

						>A0A077ZLX5_TRITR|A0A077ZLX5
MTSTSGELSSSVSELTISNLIARPDYGTEGKQIQLVSNFVELKKFATGVIEVVQYHVDIGSDKVKLTRDDKRSIFWKLVKKNRKVFTKPFSVAYDGEALLFSKEPLPIKENAAFESEMNVQVLRSNRPIEVKVSIRKSGSVKLIFKDQKSGVGLSPDSEQSPIQVVDVILAQGRACTLVSRAERFCVVGNSAYEIPARSGVNLKLGVELWRGLFLSARVGEGYRPMVNIDVSHAAFYRPQSVLNYICDVLNADQSPPRYSIDQIQSNTRLSDGELKIIGRAVKGLRVTVTHRQCGAQYRIIGIAADASRQMFTMRDGREISVVDYFKETYLQLRYPRMPALQAGSKNRSIYLPVEVCNVAEKQRYGAGKLSGFQTTLVIRQCAMDAPTRLKVCMEMMRRANLENDEFLKEFGLDIARTFVEVPGRVLPPPKLEYKRGSRSAVVEPSNGTWQMRGVQFFQGGKCANFSAIAFGRPSSLGQVGEFCANVAKVCNDLGVTMGRKADILLPVQDVTAFEKVLERLVAEYKGHNKVCRLVFVSLSDTKEYSEVKRVADVKFGIMTQCFMQRVLHDVVVKRSVMTATNLALKINMKMGGVNTRLLADPFVKTNLTGKDTLVLGVDVTHPHVADRDSPSIAAVVGNIDVNCAEYAASIRVQPNRWETILYLEDEFRERIRAFANPNGRKPSRIILFRDGVSEGEFKKVLREELRALRAACRCLDKGYRPGITYVVVQKRHHARFMCKDDSLAVGKGRNIPAGTVIDRRVTSADGYDFYLCSHTGIQGTSKPAKYHVLYDDNNFNADTMQAISYYLCHVYGRCMRSVSIPAPVYFAHLACYRSRNHCYLLTGSSDDSFGSRMEKDSDNVEFTRAVTVHENIRSSMYFI
					

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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	34.5	Very low	32.9	Very low	234 Å²	234	109 Å²	109	100%	1.153	67%	0.667	S	S	*	*				0	47.5	0	-69.1	-173.2	178.9	0	0	111.6
2	T	32.3	Very low	33.1	Very low	141 Å²	141	107.1 Å²	107.1	87%	0.865	66%	0.655	S	S	*	*			trans	-130.7	52.5	-170.1	38	0	0	0	0	112.4
3	S	30.7	Very low	33.6	Very low	108 Å²	108	102.9 Å²	102.9	76%	0.755	63%	0.633	S	S	*	*	S	Bend	trans	-127.6	8.4	173.8	71.9	0	0	0	0	115.1
4	T	35.7	Very low	33.9	Very low	92 Å²	92	102.3 Å²	102.3	56%	0.564	62%	0.619	S	S	*	*	S	Bend	trans	-104.8	-5.3	-173	40.8	0	0	0	0	115.4
5	S	32.6	Very low	34.1	Very low	100 Å²	100	105.1 Å²	105.1	70%	0.699	63%	0.628	S	S	*	*	H	α-helix	trans	-77.3	-22.7	-177.8	51.8	0	0	0	0	114.6
6	G	29.3	Very low	34.9	Very low	56 Å²	56	104.2 Å²	104.2	58%	0.577	62%	0.624	S	S	*	*	H	α-helix	trans	-77.2	-31	-178.9	0	0	0	0	0	114.9
7	E	30.8	Very low	36.3	Very low	149 Å²	149	99.7 Å²	99.7	70%	0.696	60%	0.595	S	S	*	*	H	α-helix	trans	-81	-33.4	-177.2	-71.5	-174.6	156.1	0	0	112.7	S10 S11	E7-S10 PolarHBondContact O-N 3.31Å; E7-S10 PolarHBondContact O-OG 2.72Å; E7-S11 PolarHBondContact O-N 3.39Å
8	L	30.4	Very low	37.4	Very low	118 Å²	118	97.6 Å²	97.6	62%	0.618	59%	0.586	S	S	*	*	H	α-helix	trans	-68	-35.1	177.1	-93	133	0	0	0	113.3	S10 S11 V12	L8-S10 VanDerWaalsContact C-N 3.28Å; L8-S10 PolarHBondContact O-N 2.73Å; L8-S11 PolarHBondContact O-OG 3.03Å; L8-S11 VanDerWaalsContact O-OG 3.09Å; L8-V12 VanDerWaalsContact O-CG2 3.28Å; L8-V12 WeakPolarHBondContact O-CG2 3.31Å; L8-V12 PolarHBondContact O-N 3.01Å
9	S	34.3	Very low	39.4	Very low	87 Å²	87	98.1 Å²	98.1	61%	0.608	59%	0.585	S	S	*	*	H	α-helix	trans	-64.5	-34.2	173.6	170.8	0	0	0	0	112.2	S13	S9-S13 PolarHBondContact O-N 3.23Å
10	S	35.5	Very low	41.9	Very low	60 Å²	60	96.5 Å²	96.5	42%	0.42	57%	0.573	S	S	.	*	H	α-helix	trans	-71.5	-39	-176.2	77.9	0	0	0	0	113.1	E7 L8 S13 E14	E7-S10 PolarHBondContact O-N 3.31Å; E7-S10 PolarHBondContact O-OG 2.72Å; L8-S10 VanDerWaalsContact C-N 3.28Å; L8-S10 PolarHBondContact O-N 2.73Å; S10-S13 PolarHBondContact O-N 2.9Å; S10-S13 PolarHBondContact O-OG 3.47Å; S10-E14 PolarHBondContact O-N 3.38Å
11	S	36.2	Very low	44.3	Very low	54 Å²	54	94.5 Å²	94.5	38%	0.378	56%	0.559	S	S	.	*	H	α-helix	trans	-71	-35.6	177.5	52.3	0	0	0	0	112.3	E7 L8 S13 E14 L15	E7-S11 PolarHBondContact O-N 3.39Å; L8-S11 PolarHBondContact O-OG 3.03Å; L8-S11 VanDerWaalsContact O-OG 3.09Å; S11-S13 PolarHBondContact O-N 3.32Å; S11-E14 PolarHBondContact O-N 3.01Å; S11-L15 WeakPolarHBondContact O-CD1 3.41Å; S11-L15 PolarHBondContact O-N 2.88Å
12	V	34.3	Very low	47	Very low	86 Å²	86	86.5 Å²	86.5	52%	0.521	53%	0.53	S	S	.	.	H	α-helix	trans	-65.5	-38.3	176.5	177.6	0	0	0	0	111.4	L8 E14 L15 T16	L8-V12 VanDerWaalsContact O-CG2 3.28Å; L8-V12 WeakPolarHBondContact O-CG2 3.31Å; L8-V12 PolarHBondContact O-N 3.01Å; V12-E14 PolarHBondContact O-N 2.78Å; V12-L15 PolarHBondContact O-N 3.47Å; V12-T16 PolarHBondContact O-N 3.35Å; V12-T16 PolarHBondContact O-OG1 2.88Å
13	S	39.9	Very low	49.9	Very low	53 Å²	53	81.3 Å²	81.3	37%	0.371	50%	0.495	S	S	.	.	H	α-helix	trans	-70.4	-27.8	178.2	76.3	0	0	0	0	114.4	S9 S10 S11 T16	S9-S13 PolarHBondContact O-N 3.23Å; S10-S13 PolarHBondContact O-N 2.9Å; S10-S13 PolarHBondContact O-OG 3.47Å; S11-S13 PolarHBondContact O-N 3.32Å; S13-T16 WeakPolarHBondContact CA-OG1 3.39Å; S13-T16 PolarHBondContact O-OG1 3.36Å
14	E	38	Very low	52.9	Low	94 Å²	94	79.7 Å²	79.7	44%	0.439	48%	0.482	S	S	.	.	H	α-helix	trans	-77.8	-24.3	175.3	-74.1	-167.7	160.4	0	0	112.2	S10 S11 V12 R714	S10-E14 PolarHBondContact O-N 3.38Å; S11-E14 PolarHBondContact O-N 3.01Å; V12-E14 PolarHBondContact O-N 2.78Å; E14-R714 IonicContact OE1-CZ 3.2Å; E14-R714 VanDerWaalsContact OE1-CZ 3.26Å; E14-R714 IonicContact OE1-NH1 2.8Å; E14-R714 PolarHBondContact OE1-NH1 2.68Å; E14-R714 IonicContact OE1-NH2 3.94Å; E14-R714 PolarHBondContact OE1-NH2 2.78Å
15	L	36.5	Very low	55.8	Low	145 Å²	145	78.2 Å²	78.2	76%	0.759	47%	0.471	S	S	*	.	H	α-helix	trans	-83.2	-16.6	176.9	-79.6	157.2	0	0	0	113.9	S11 V12	S11-L15 WeakPolarHBondContact O-CD1 3.41Å; S11-L15 PolarHBondContact O-N 2.88Å; V12-L15 PolarHBondContact O-N 3.47Å
16	T	47.1	Very low	58.8	Low	90 Å²	90	76.3 Å²	76.3	55%	0.552	45%	0.449	S	S	*	.			trans	-94.7	0.7	-172.7	37.2	0	0	0	0	117.1	V12 S13 S18	V12-T16 PolarHBondContact O-N 3.35Å; V12-T16 PolarHBondContact O-OG1 2.88Å; S13-T16 WeakPolarHBondContact CA-OG1 3.39Å; S13-T16 PolarHBondContact O-OG1 3.36Å; T16-S18 PolarHBondContact O-N 2.66Å
17	I	58.5	Low	62.1	Low	28 Å²	28	73.8 Å²	73.8	14%	0.144	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	60.3	172.4	-48.8	164	0	0	0	109.7	L702 L706	I17-L702 HydrophobicContact CG2-CD2 4.25Å; I17-L706 HydrophobicContact CD1-CD2 3.84Å; I17-L706 HydrophobicContact CD1-CG 4.42Å
18	S	56.7	Low	65.3	Low	62 Å²	62	71.7 Å²	71.7	43%	0.434	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-27.9	172.2	54	0	0	0	0	111.5	T16	T16-S18 PolarHBondContact O-N 2.66Å
19	N	75.6	Confident	68.5	Low	106 Å²	106	71.5 Å²	71.5	57%	0.567	42%	0.416	S	S	*	.	S	Bend	trans	-122.7	142.4	-168	-66.1	-25.8	0	0	0	112.9
20	L	88.2	Confident	71.5	Confident	66 Å²	66	68.7 Å²	68.7	35%	0.346	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-75.3	150.1	170.5	-58	176.5	0	0	0	108.9	F698 K699 L702 L790	L20-F698 HydrophobicContact CD1-CB 4.32Å; L20-F698 HydrophobicContact CD1-CD2 4.41Å; L20-F698 HydrophobicContact CD2-CB 4.48Å; L20-K699 HydrophobicContact CD1-CG 4.46Å; L20-K699 HydrophobicContact CD2-CG 4.2Å; L20-K699 HydrophobicContact CG-CG 4.21Å; L20-L702 HydrophobicContact CD2-CD2 3.86Å; L20-L790 HydrophobicContact CD1-CD2 4.47Å; L20-L790 HydrophobicContact CD2-CB 4.14Å; L20-L790 HydrophobicContact CD2-CD2 4.23Å
21	I	92.8	Very high	74.4	Confident	55 Å²	55	74.1 Å²	74.1	28%	0.282	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-66	141.4	177.5	-164.3	169.5	0	0	0	111.6	Y768 V789 L790 D792	I21-Y768 HydrophobicContact CG2-CD1 4.4Å; I21-V789 HydrophobicContact CG2-CB 4.47Å; I21-V789 HydrophobicContact CG2-CG1 4.16Å; I21-V789 VanDerWaalsContact CG2-O 3.26Å; I21-V789 WeakPolarHBondContact CG2-O 3.37Å; I21-L790 PolarHBondContact N-O 2.9Å; I21-L790 VanDerWaalsContact N-O 3.14Å; I21-D792 HydrophobicContact CD1-CB 3.74Å
22	A	91.4	Very high	77.4	Confident	66 Å²	66	79.7 Å²	79.7	55%	0.545	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-80	156.5	172.5	0	0	0	0	0	111	P24 D766	A22-P24 WeakPolarHBondContact O-CD 3.31Å; A22-D766 WeakPolarHBondContact CA-O 3.08Å
23	R	92.9	Very high	80.4	Confident	32 Å²	32	75.9 Å²	75.9	12%	0.121	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-59	123.4	173	-175.9	-176.1	-55.3	-77.9	-2	110.6	D25 Y26 S764 D766 G767 Y768 D769	R23-D25 WeakPolarHBondContact CD-O 3.21Å; R23-D25 WeakPolarHBondContact CG-O 3.18Å; R23-Y26 VanDerWaalsContact CD-CZ 3.5Å; R23-S764 PolarHBondContact NH2-O 2.85Å; R23-D766 PolarHBondContact N-O 3.41Å; R23-G767 VanDerWaalsContact CZ-O 3.28Å; R23-G767 PolarHBondContact NH2-O 3.22Å; R23-Y768 HydrophobicContact CG-CD2 4.34Å; R23-D769 IonicContact CZ-OD1 2.89Å; R23-D769 PolarHBondContact NH1-O 2.94Å; R23-D769 PolarHBondContact NH2-O 3.23Å; R23-D769 VanDerWaalsContact NH2-O 3.16Å; R23-D769 IonicContact NH2-OD1 2.99Å; R23-D769 PolarHBondContact NH2-OD1 3.41Å
24	P	94.3	Very high	83.2	Confident	74 Å²	74	77.7 Å²	77.7	48%	0.481	42%	0.417	S	S	.	.			trans	-74	-41.5	179.4	27.7	-32.5	0	0	0	111.8	A22 Y768	A22-P24 WeakPolarHBondContact O-CD 3.31Å; P24-Y768 HydrophobicContact CG-CD1 4.04Å; P24-Y768 HydrophobicContact CG-CE1 3.63Å; P24-Y768 HydrophobicContact CG-CE2 4.23Å
25	D	95.9	Very high	86.1	Confident	62 Å²	62	73.2 Å²	73.2	33%	0.332	40%	0.396	S	S	.	.			trans	-163.8	-173.8	-178.5	55.4	16.1	0	0	0	110.9	R23 N797 A798	R23-D25 WeakPolarHBondContact CD-O 3.21Å; R23-D25 WeakPolarHBondContact CG-O 3.18Å; D25-N797 WeakPolarHBondContact OD2-CB 3.49Å; D25-A798 WeakPolarHBondContact OD1-CB 3.14Å; D25-A798 PolarHBondContact OD1-N 2.96Å
26	Y	97	Very high	89.1	Confident	59 Å²	59	67 Å²	67	23%	0.231	36%	0.364	C	S	.	.			trans	-114.1	143.3	170.2	-66.4	-86.9	0	0	0	108.9	R23 E221 D759 R760	R23-Y26 VanDerWaalsContact CD-CZ 3.5Å; Y26-E221 PolarHBondContact OH-OE1 2.99Å; Y26-D759 WeakPolarHBondContact CD1-O 3.13Å; Y26-D759 WeakPolarHBondContact CE1-O 3.16Å; Y26-R760 HydrophobicContact CD1-CG 3.49Å; Y26-R760 VanDerWaalsContact CD1-CG 3.49Å; Y26-R760 HydrophobicContact CE1-CG 3.76Å; Y26-R760 HydrophobicContact CG-CG 4.28Å; Y26-R760 VanDerWaalsContact CG-CZ 3.43Å
27	G	97.5	Very high	91.5	Very high	4 Å²	4	62.8 Å²	62.8	4%	0.041	34%	0.338	C	S	.	.			trans	-69.6	153.2	-178.7	0	0	0	0	0	111.9	R425 D759 A798 D799	G27-R425 VanDerWaalsContact CA-NH2 3.26Å; G27-R425 VanDerWaalsContact O-CZ 3.22Å; G27-R425 PolarHBondContact O-NE 2.9Å; G27-R425 VanDerWaalsContact O-NE 3.12Å; G27-R425 PolarHBondContact O-NH2 3.49Å; G27-D759 PolarHBondContact N-OD2 3.13Å; G27-A798 VanDerWaalsContact N-CB 3.31Å; G27-D799 WeakPolarHBondContact CA-OD1 3.49Å
28	T	97.9	Very high	93.4	Very high	104 Å²	104	61.4 Å²	61.4	64%	0.638	33%	0.331	S	S	*	.			trans	-122.3	-21.6	-174.9	61.9	0	0	0	0	112.3	D799	T28-D799 PolarHBondContact N-OD1 3.35Å; T28-D799 PolarHBondContact N-OD2 2.8Å; T28-D799 PolarHBondContact OG1-OD2 3.21Å
29	E	97.2	Very high	95.3	Very high	115 Å²	115	58.6 Å²	58.6	54%	0.537	31%	0.311	S	S	.	.			trans	-75.5	150.2	-173.8	-73	-63.7	151.1	0	0	113.6	R425 L427 D799	E29-R425 WeakPolarHBondContact O-CD 3.15Å; E29-R425 PolarHBondContact O-NH1 3.06Å; E29-L427 HydrophobicContact CB-CD2 4.49Å; E29-L427 WeakPolarHBondContact O-CD2 3.29Å; E29-D799 HydrophobicContact CB-CB 4.47Å; E29-D799 WeakPolarHBondContact CB-OD1 3.47Å; E29-D799 HydrophobicContact CG-CB 4.12Å; E29-D799 PolarHBondContact N-OD1 3.26Å; E29-D799 PolarHBondContact N-OD2 2.93Å
30	G	97.5	Very high	96.3	Very high	28 Å²	28	53.5 Å²	53.5	29%	0.289	28%	0.284	S	S	.	.	S	Bend	trans	92.9	165.5	176.7	0	0	0	0	0	115.2	Q32 V426	G30-Q32 PolarHBondContact O-N 2.78Å; G30-V426 CarbonylContact C-O 3.17Å; G30-V426 VanDerWaalsContact CA-O 3.24Å; G30-V426 WeakPolarHBondContact CA-O 3.34Å
31	K	98	Very high	96.5	Very high	174 Å²	174	53.2 Å²	53.2	76%	0.757	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	127.5	-175.9	-65.3	-177	-179.9	-177.8	0	110.5	R425 V426	K31-R425 CarbonylContact O-C 3.33Å; K31-R425 VanDerWaalsContact O-CA 3.3Å; K31-R425 WeakPolarHBondContact O-CA 3.34Å; K31-V426 PolarHBondContact N-O 2.82Å; K31-V426 PolarHBondContact O-N 2.79Å
32	Q	98.1	Very high	96.4	Very high	170 Å²	170	51.1 Å²	51.1	79%	0.794	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	141.7	177.4	-65.2	-172.6	-2.3	0	0	111.5	G30	G30-Q32 PolarHBondContact O-N 2.78Å
33	I	98.2	Very high	96	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134	175.7	-174.4	168.3	0	0	0	109.6	L35 G424 V426 L744 P753 T756	I33-L35 HydrophobicContact CD1-CD2 3.96Å; I33-L35 HydrophobicContact CG1-CD2 3.84Å; I33-L35 HydrophobicContact CG2-CD2 4.11Å; I33-L35 HydrophobicContact CG2-CG 4.29Å; I33-G424 PolarHBondContact N-O 3.16Å; I33-G424 WeakPolarHBondContact O-CA 3.29Å; I33-G424 PolarHBondContact O-N 3.4Å; I33-G424 VanDerWaalsContact O-O 3.13Å; I33-V426 HydrophobicContact CB-CG2 4.19Å; I33-V426 HydrophobicContact CD1-CG2 4.35Å; I33-V426 HydrophobicContact CG2-CG2 3.77Å; I33-L744 HydrophobicContact CD1-CB 4.02Å; I33-L744 HydrophobicContact CD1-CD1 3.9Å; I33-L744 HydrophobicContact CG1-CD1 3.81Å; I33-P753 HydrophobicContact CD1-CG 4.09Å; I33-T756 HydrophobicContact CG2-CG2 4.21Å
34	Q	98.5	Very high	95	Very high	91 Å²	91	55.2 Å²	55.2	43%	0.425	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.3	174.2	-65.9	-60.7	-22.5	0	0	110.2	K740	Q34-K740 HydrophobicContact CB-CB 4Å; Q34-K740 HydrophobicContact CB-CD 4.17Å; Q34-K740 WeakPolarHBondContact O-CB 3.45Å; Q34-K740 PolarHBondContact O-N 2.97Å
35	L	98.6	Very high	93.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	158.9	-175.7	-53.6	176.9	0	0	0	110.9	I33 E421 V422 M738 I752 T756 I758	I33-L35 HydrophobicContact CD1-CD2 3.96Å; I33-L35 HydrophobicContact CG1-CD2 3.84Å; I33-L35 HydrophobicContact CG2-CD2 4.11Å; I33-L35 HydrophobicContact CG2-CG 4.29Å; L35-E421 CarbonylContact O-C 3.55Å; L35-E421 WeakPolarHBondContact O-CA 3.41Å; L35-V422 WeakPolarHBondContact CB-O 3.34Å; L35-V422 PolarHBondContact N-O 2.94Å; L35-V422 PolarHBondContact O-N 2.89Å; L35-M738 CarbonylContact C-O 3.56Å; L35-M738 VanDerWaalsContact CA-O 3.31Å; L35-M738 WeakPolarHBondContact CA-O 3.4Å; L35-I752 HydrophobicContact CD2-CB 4.5Å; L35-I752 HydrophobicContact CD2-CG2 3.69Å; L35-T756 HydrophobicContact CD1-CG2 3.65Å; L35-I758 HydrophobicContact CD1-CD1 3.83Å; L35-I758 HydrophobicContact CD1-CG1 3.62Å
36	V	98.3	Very high	91.4	Very high	15 Å²	15	59.4 Å²	59.4	9%	0.091	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.4	168.1	-174.8	0	0	0	0	108	L390 F419 F737 M738 K740	V36-L390 HydrophobicContact CB-CD2 4.41Å; V36-L390 HydrophobicContact CG1-CD2 4.05Å; V36-F419 HydrophobicContact CG1-CB 3.44Å; V36-F419 VanDerWaalsContact CG1-CB 3.44Å; V36-F419 HydrophobicContact CG1-CD2 4.32Å; V36-F419 HydrophobicContact CG1-CG 4.24Å; V36-F737 CarbonylContact O-C 3.54Å; V36-F737 VanDerWaalsContact O-CA 3.31Å; V36-F737 WeakPolarHBondContact O-CA 3.1Å; V36-M738 HydrophobicContact CB-CE 3.62Å; V36-M738 HydrophobicContact CB-CG 3.91Å; V36-M738 HydrophobicContact CG1-CE 3.85Å; V36-M738 HydrophobicContact CG2-CE 3.83Å; V36-M738 PolarHBondContact N-O 2.86Å; V36-M738 PolarHBondContact O-N 2.91Å; V36-K740 HydrophobicContact CG2-CB 4.17Å; V36-K740 HydrophobicContact CG2-CG 4.33Å
37	S	98.2	Very high	89.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	164.7	178.6	72.9	0	0	0	0	111.3	F39 F419 V420 R736	S37-F39 PolarHBondContact O-N 2.8Å; S37-F39 PolarHBondContact OG-N 3.18Å; S37-F419 WeakPolarHBondContact O-CB 3.22Å; S37-F419 VanDerWaalsContact O-CD1 3.29Å; S37-F419 WeakPolarHBondContact O-CD1 3.48Å; S37-F419 WeakPolarHBondContact O-CG 3.42Å; S37-V420 PolarHBondContact N-O 3.49Å; S37-V420 PolarHBondContact OG-O 2.91Å; S37-R736 CarbonylContact C-O 3.55Å; S37-R736 WeakPolarHBondContact CA-O 3.46Å
38	N	97.7	Very high	87.9	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-88.3	34.3	169.2	70.5	-28	0	0	0	113.1	N228 I229 L390 F419 H734 A735 R736	N38-N228 PolarHBondContact ND2-ND2 2.92Å; N38-N228 PolarHBondContact O-ND2 3.12Å; N38-N228 PolarHBondContact OD1-ND2 2.81Å; N38-I229 VanDerWaalsContact CB-O 3.27Å; N38-I229 WeakPolarHBondContact CB-O 3.46Å; N38-I229 VanDerWaalsContact CG-O 3.27Å; N38-I229 PolarHBondContact ND2-O 3.4Å; N38-I229 PolarHBondContact O-N 3.32Å; N38-L390 HydrophobicContact CB-CD1 4.32Å; N38-L390 HydrophobicContact CB-CG 4.27Å; N38-F419 HydrophobicContact CB-CE1 4.27Å; N38-H734 PolarHBondContact ND2-O 3.44Å; N38-A735 WeakPolarHBondContact OD1-CA 3.44Å; N38-R736 HydrophobicContact CB-CB 4.38Å; N38-R736 PolarHBondContact N-O 3.42Å; N38-R736 PolarHBondContact OD1-N 2.88Å; N38-R736 PolarHBondContact OD1-O 3.17Å
39	F	97.6	Very high	87.1	Confident	2 Å²	2	66 Å²	66	1%	0.009	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.6	172	-71.8	-111.4	0	0	0	109.5	S37 R218 M226 V227 N228 F419 V420 A735 V762	S37-F39 PolarHBondContact O-N 2.8Å; S37-F39 PolarHBondContact OG-N 3.18Å; F39-R218 HydrophobicContact CE1-CB 4.2Å; F39-R218 HydrophobicContact CE1-CG 4.17Å; F39-M226 HydrophobicContact CB-SD 4.3Å; F39-M226 HydrophobicContact CD1-CB 4.07Å; F39-M226 HydrophobicContact CD1-CE 4.28Å; F39-M226 HydrophobicContact CD1-SD 4.39Å; F39-V227 WeakPolarHBondContact CA-O 3.49Å; F39-N228 HydrophobicContact CD1-CB 3.99Å; F39-N228 HydrophobicContact CE1-CB 3.7Å; F39-N228 HydrophobicContact CE2-CB 4.31Å; F39-N228 HydrophobicContact CG-CB 4.43Å; F39-N228 HydrophobicContact CZ-CB 3.87Å; F39-F419 CarbonylContact O-C 3.51Å; F39-F419 VanDerWaalsContact O-CA 3.31Å; F39-F419 WeakPolarHBondContact O-CA 3.42Å; F39-V420 HydrophobicContact CB-CB 4.28Å; F39-V420 HydrophobicContact CB-CG2 4.21Å; F39-V420 WeakPolarHBondContact O-CG2 3.31Å; F39-V420 PolarHBondContact O-N 3.32Å; F39-A735 HydrophobicContact CE2-CB 3.75Å; F39-A735 HydrophobicContact CZ-CB 4.17Å; F39-V762 HydrophobicContact CB-CG1 4.16Å; F39-V762 HydrophobicContact CD1-CG1 4.33Å; F39-V762 HydrophobicContact CD2-CB 4.29Å; F39-V762 HydrophobicContact CD2-CG1 3.93Å; F39-V762 HydrophobicContact CE2-CB 4.25Å; F39-V762 HydrophobicContact CE2-CG1 4.4Å; F39-V762 HydrophobicContact CG-CB 4.45Å; F39-V762 HydrophobicContact CG-CG1 3.9Å; F39-V762 HydrophobicContact CZ-CB 4.36Å
40	V	95.6	Very high	86.6	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.8	168.9	-61.8	0	0	0	0	108.7	M226 V227 I229 M394 M397 I415 A416 F419	V40-M226 CarbonylContact O-C 3.57Å; V40-M226 VanDerWaalsContact O-CA 3.22Å; V40-M226 WeakPolarHBondContact O-CA 3.46Å; V40-M226 WeakPolarHBondContact O-CB 3.36Å; V40-V227 HydrophobicContact CG2-CB 3.99Å; V40-V227 PolarHBondContact N-O 3.3Å; V40-V227 PolarHBondContact O-N 2.94Å; V40-I229 HydrophobicContact CB-CD1 4.48Å; V40-I229 HydrophobicContact CG1-CD1 4.08Å; V40-I229 HydrophobicContact CG2-CD1 3.51Å; V40-I229 HydrophobicContact CG2-CG1 4.05Å; V40-M394 HydrophobicContact CG1-CE 3.94Å; V40-M397 HydrophobicContact CG2-CE 4.41Å; V40-I415 HydrophobicContact CB-CG1 4.4Å; V40-I415 HydrophobicContact CG2-CD1 3.59Å; V40-I415 HydrophobicContact CG2-CG1 3.46Å; V40-I415 VanDerWaalsContact CG2-CG1 3.46Å; V40-A416 HydrophobicContact CB-CB 4.34Å; V40-F419 HydrophobicContact CG1-CD1 3.84Å; V40-F419 HydrophobicContact CG1-CE1 4.12Å
41	E	93.1	Very high	86.3	Confident	60 Å²	60	63 Å²	63	28%	0.28	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.2	177.8	-63	-170.9	163.5	0	0	111	R224 M226 A416 V420 R761	E41-R224 IonicContact OE1-NH1 3.56Å; E41-M226 HydrophobicContact CG-CG 4.32Å; E41-A416 HydrophobicContact CB-CB 4.21Å; E41-A416 WeakPolarHBondContact O-CB 3.49Å; E41-A416 PolarHBondContact O-N 3.36Å; E41-V420 HydrophobicContact CG-CG2 3.72Å; E41-R761 IonicContact OE1-NH2 3.07Å
42	L	90.5	Very high	86	Confident	10 Å²	10	54.7 Å²	54.7	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.2	167.8	-170.1	78.9	0	0	0	107.7	V166 P225 V227 L413 D414	L42-V166 HydrophobicContact CD1-CG1 4.47Å; L42-V166 HydrophobicContact CD2-CG1 3.73Å; L42-V166 HydrophobicContact CD2-CG2 4.11Å; L42-P225 HydrophobicContact CB-CB 4.02Å; L42-P225 HydrophobicContact CB-CG 4.17Å; L42-P225 HydrophobicContact CD2-CB 4.06Å; L42-P225 HydrophobicContact CD2-CG 4.47Å; L42-P225 PolarHBondContact N-O 2.81Å; L42-V227 HydrophobicContact CD1-CG2 4.18Å; L42-L413 HydrophobicContact CD2-CD2 4.13Å; L42-D414 CarbonylContact C-O 3.41Å
43	K	84.4	Confident	85.9	Confident	102 Å²	102	47.3 Å²	47.3	44%	0.443	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.1	177.3	-61.9	-177.3	179.9	-175	0	109.1	D414	K43-D414 HydrophobicContact CB-CB 4.16Å; K43-D414 PolarHBondContact N-O 2.89Å; K43-D414 PolarHBondContact O-N 3.48Å; K43-D414 VanDerWaalsContact O-O 3.1Å
44	K	71.4	Confident	85.7	Confident	83 Å²	83	47.6 Å²	47.6	36%	0.361	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.3	169.6	-78.2	-174.2	178.4	175.8	0	109.8	I50 L143 L413	K44-I50 HydrophobicContact CD-CD1 4.09Å; K44-I50 HydrophobicContact CG-CD1 4.04Å; K44-L143 PolarHBondContact NZ-O 2.89Å; K44-L413 HydrophobicContact CG-CD2 4.34Å
45	F	59.9	Low	85.6	Confident	159 Å²	159	43.4 Å²	43.4	70%	0.697	24%	0.241	S	C	*	.			trans	-117.1	77	175.3	-127.3	-85.8	0	0	0	108.7	G412 D414	F45-G412 PolarHBondContact N-O 2.58Å; F45-D414 HydrophobicContact CD2-CB 4.45Å
46	A	53.4	Low	85.5	Confident	65 Å²	65	46.2 Å²	46.2	54%	0.537	25%	0.254	S	S	.	.	S	Bend	trans	-177.2	140	162	0	0	0	0	0	107.8	G48	A46-G48 PolarHBondContact O-N 2.98Å
47	T	54.7	Low	85.4	Confident	169 Å²	169	45.6 Å²	45.6	100%	1.037	25%	0.25	S	S	*	.	S	Bend	trans	-69.1	23.3	-177.9	42.9	0	0	0	0	114.6
48	G	68.2	Low	85.3	Confident	45 Å²	45	50 Å²	50	46%	0.464	27%	0.274	S	S	.	.	S	Bend	trans	-158.7	-178.7	-174.8	0	0	0	0	0	115.2	A46 I50	A46-G48 PolarHBondContact O-N 2.98Å; G48-I50 PolarHBondContact O-N 2.82Å
49	V	80.2	Confident	85.2	Confident	91 Å²	91	50.2 Å²	50.2	55%	0.552	28%	0.275	S	S	*	.			trans	-68.7	123.9	176.8	177.2	0	0	0	0	109.6	E51 K142 I144	V49-E51 PolarHBondContact O-N 2.84Å; V49-K142 HydrophobicContact CG1-CB 4.11Å; V49-K142 HydrophobicContact CG1-CD 4.47Å; V49-K142 HydrophobicContact CG1-CG 4.3Å; V49-I144 HydrophobicContact CG1-CD1 3.92Å; V49-I144 HydrophobicContact CG1-CG1 3.84Å; V49-I144 HydrophobicContact CG2-CD1 4.31Å; V49-I144 HydrophobicContact CG2-CG1 4.5Å
50	I	86.7	Confident	85.1	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.015	29%	0.289	C	S	.	.			trans	-81.3	109	172.4	-57.3	170.8	0	0	0	107.4	K44 G48 V52 K103 L143 G412 L413	K44-I50 HydrophobicContact CD-CD1 4.09Å; K44-I50 HydrophobicContact CG-CD1 4.04Å; G48-I50 PolarHBondContact O-N 2.82Å; I50-V52 HydrophobicContact CG2-CG1 4.3Å; I50-K103 HydrophobicContact CG2-CD 4.3Å; I50-L143 HydrophobicContact CB-CB 4.28Å; I50-L143 HydrophobicContact CB-CD1 4.16Å; I50-L143 HydrophobicContact CB-CG 4.36Å; I50-L143 HydrophobicContact CG2-CD1 3.73Å; I50-L143 HydrophobicContact CG2-CG 4.2Å; I50-L143 WeakPolarHBondContact O-CB 3.4Å; I50-L143 PolarHBondContact O-N 2.81Å; I50-G412 WeakPolarHBondContact CD1-O 3.48Å; I50-L413 HydrophobicContact CD1-CD2 3.96Å
51	E	90.2	Very high	84.9	Confident	77 Å²	77	52.6 Å²	52.6	36%	0.36	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	141.6	165.8	-170.8	163.3	-173.2	0	0	109.8	V49 K103 S140 K142	V49-E51 PolarHBondContact O-N 2.84Å; E51-K103 PolarHBondContact O-NZ 3.06Å; E51-S140 VanDerWaalsContact OE1-CB 3.31Å; E51-S140 WeakPolarHBondContact OE1-CB 3.36Å; E51-S140 PolarHBondContact OE1-OG 2.88Å; E51-K142 HydrophobicContact CB-CG 4.14Å; E51-K142 HydrophobicContact CG-CG 3.88Å; E51-K142 WeakPolarHBondContact OE2-CE 3.36Å
52	V	93.3	Very high	84.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.5	175.5	-61.3	0	0	0	0	109.4	I50 F101 S102 S140 V141 L143 V165 F411	I50-V52 HydrophobicContact CG2-CG1 4.3Å; V52-F101 HydrophobicContact CG2-CD1 4.29Å; V52-S102 CarbonylContact C-O 3.48Å; V52-S102 WeakPolarHBondContact CA-O 3.22Å; V52-S140 CarbonylContact O-C 3.48Å; V52-S140 VanDerWaalsContact O-CA 3.29Å; V52-S140 WeakPolarHBondContact O-CA 3.26Å; V52-S140 WeakPolarHBondContact O-CB 3.44Å; V52-V141 HydrophobicContact CG2-CB 3.94Å; V52-V141 WeakPolarHBondContact CG2-O 3.4Å; V52-V141 PolarHBondContact N-O 3.12Å; V52-V141 PolarHBondContact O-N 2.92Å; V52-L143 HydrophobicContact CG2-CD2 4.34Å; V52-V165 HydrophobicContact CG2-CG1 3.87Å; V52-F411 HydrophobicContact CB-CE1 4.5Å; V52-F411 HydrophobicContact CG1-CD1 3.73Å; V52-F411 HydrophobicContact CG1-CE1 3.81Å
53	V	94.5	Very high	84.3	Confident	15 Å²	15	64.9 Å²	64.9	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.3	177.9	-169.3	0	0	0	0	109.1	Y55 F101 S102 P105 K137	V53-Y55 HydrophobicContact CB-CE2 3.77Å; V53-Y55 HydrophobicContact CG1-CE1 4.32Å; V53-Y55 HydrophobicContact CG1-CE2 3.67Å; V53-Y55 WeakPolarHBondContact CG1-OH 3.02Å; V53-Y55 WeakPolarHBondContact O-CE2 3.37Å; V53-F101 CarbonylContact O-C 3.54Å; V53-F101 VanDerWaalsContact O-CA 3.28Å; V53-F101 WeakPolarHBondContact O-CA 3.48Å; V53-S102 PolarHBondContact N-O 2.87Å; V53-S102 PolarHBondContact O-N 2.75Å; V53-P105 HydrophobicContact CG2-CB 4.3Å; V53-P105 HydrophobicContact CG2-CG 3.92Å; V53-K137 HydrophobicContact CG1-CD 4.36Å; V53-K137 HydrophobicContact CG1-CG 4.06Å
54	Q	95.4	Very high	84.3	Confident	13 Å²	13	61.7 Å²	61.7	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.1	178.1	-171.8	-175.8	-66	0	0	110.6	L100 F101 S138 G139	Q54-L100 CarbonylContact C-O 3.51Å; Q54-F101 HydrophobicContact CB-CD1 4.13Å; Q54-F101 HydrophobicContact CB-CE1 4.03Å; Q54-F101 HydrophobicContact CG-CD1 4.13Å; Q54-F101 HydrophobicContact CG-CE1 3.65Å; Q54-F101 HydrophobicContact CG-CZ 4.41Å; Q54-S138 WeakPolarHBondContact CG-OG 3.5Å; Q54-S138 PolarHBondContact NE2-OG 3.39Å; Q54-S138 VanDerWaalsContact NE2-OG 3.11Å; Q54-S138 PolarHBondContact O-N 2.81Å; Q54-S138 PolarHBondContact O-OG 2.91Å; Q54-G139 PolarHBondContact N-O 3.33Å; Q54-G139 PolarHBondContact O-N 3.03Å
55	Y	95.9	Very high	85	Confident	3 Å²	3	67 Å²	67	1%	0.012	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.5	174.1	-51.3	-102	0	0	0	109.8	V53 L100 S102 P105 L106 I108 I135 R136 K137	V53-Y55 HydrophobicContact CB-CE2 3.77Å; V53-Y55 HydrophobicContact CG1-CE1 4.32Å; V53-Y55 HydrophobicContact CG1-CE2 3.67Å; V53-Y55 WeakPolarHBondContact CG1-OH 3.02Å; V53-Y55 WeakPolarHBondContact O-CE2 3.37Å; Y55-L100 HydrophobicContact CD2-CD2 4.25Å; Y55-L100 HydrophobicContact CD2-CG 4.18Å; Y55-L100 HydrophobicContact CG-CD2 4.33Å; Y55-L100 PolarHBondContact N-O 3.34Å; Y55-L100 PolarHBondContact O-N 2.96Å; Y55-S102 VanDerWaalsContact CE2-OG 3.23Å; Y55-S102 WeakPolarHBondContact CE2-OG 3.16Å; Y55-S102 PolarHBondContact OH-OG 3.39Å; Y55-P105 WeakPolarHBondContact OH-CA 3.35Å; Y55-L106 HydrophobicContact CD1-CD1 4.44Å; Y55-L106 HydrophobicContact CD2-CD1 4.49Å; Y55-L106 HydrophobicContact CE1-CB 4.14Å; Y55-L106 HydrophobicContact CE1-CD1 4.11Å; Y55-L106 HydrophobicContact CE1-CG 4.3Å; Y55-L106 HydrophobicContact CE2-CD1 4.2Å; Y55-L106 HydrophobicContact CE2-CG 4.29Å; Y55-L106 PolarHBondContact OH-N 3.09Å; Y55-I108 HydrophobicContact CD1-CD1 4.36Å; Y55-I108 HydrophobicContact CE1-CD1 4.26Å; Y55-I135 HydrophobicContact CD1-CG2 4.02Å; Y55-I135 HydrophobicContact CG-CG2 4.12Å; Y55-R136 CarbonylContact C-O 3.55Å; Y55-R136 WeakPolarHBondContact CA-O 3.24Å; Y55-R136 WeakPolarHBondContact CB-O 3.32Å; Y55-K137 HydrophobicContact CD1-CB 4.03Å; Y55-K137 HydrophobicContact CE1-CB 4.01Å; Y55-K137 HydrophobicContact CE1-CG 4.35Å
56	H	95.5	Very high	86.5	Confident	59 Å²	59	60.3 Å²	60.3	27%	0.273	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.3	165	-174.4	81.9	0	0	0	109.2	A98 I135 R136	H56-A98 WeakPolarHBondContact CA-O 3.14Å; H56-I135 WeakPolarHBondContact O-CA 3.38Å; H56-R136 HydrophobicContact CB-CG 3.84Å; H56-R136 PolarHBondContact CD2-NE 3.31Å; H56-R136 PolarHBondContact CD2-NH2 2.64Å; H56-R136 PolarHBondContact N-O 3.21Å; H56-R136 PolarHBondContact NE2-NH2 2.81Å; H56-R136 PolarHBondContact O-N 3.37Å
57	V	96.6	Very high	88.1	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.8	179.8	-177	0	0	0	0	108.9	I59 Y94 A98 L100 V133 S134 I135	V57-I59 HydrophobicContact CG1-CD1 4.11Å; V57-I59 HydrophobicContact CG1-CG1 3.82Å; V57-Y94 HydrophobicContact CB-CE2 3.93Å; V57-Y94 HydrophobicContact CG1-CE2 4.1Å; V57-Y94 HydrophobicContact CG2-CD2 4.31Å; V57-Y94 HydrophobicContact CG2-CE2 4.17Å; V57-A98 PolarHBondContact N-O 3.41Å; V57-A98 WeakPolarHBondContact O-CA 2.78Å; V57-L100 HydrophobicContact CG2-CB 3.44Å; V57-L100 VanDerWaalsContact CG2-CB 3.44Å; V57-L100 HydrophobicContact CG2-CD2 4.01Å; V57-L100 HydrophobicContact CG2-CG 4.36Å; V57-V133 HydrophobicContact CG1-CG1 4.43Å; V57-S134 WeakPolarHBondContact CA-O 3.34Å; V57-I135 HydrophobicContact CG1-CG1 4.31Å; V57-I135 HydrophobicContact CG2-CG1 4.24Å; V57-I135 HydrophobicContact CG2-CG2 4.39Å
58	D	96.8	Very high	89.7	Confident	92 Å²	92	56.4 Å²	56.4	49%	0.492	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.7	167.3	-165.9	0.2	0	0	0	109.6	V133 S134	D58-V133 VanDerWaalsContact O-CA 3.3Å; D58-V133 WeakPolarHBondContact O-CA 3.21Å; D58-S134 PolarHBondContact N-O 3.28Å; D58-S134 PolarHBondContact O-N 3.26Å
59	I	96.4	Very high	90.5	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	104.7	177.1	-55.9	-177.8	0	0	0	107	V57 L66 K71 I74 F75 Y94 V131 K132 V133	V57-I59 HydrophobicContact CG1-CD1 4.11Å; V57-I59 HydrophobicContact CG1-CG1 3.82Å; I59-L66 HydrophobicContact CG2-CD1 3.76Å; I59-K71 HydrophobicContact CB-CG 4.22Å; I59-K71 HydrophobicContact CD1-CB 4.29Å; I59-K71 WeakPolarHBondContact CD1-O 3.28Å; I59-K71 HydrophobicContact CG2-CG 4.38Å; I59-I74 HydrophobicContact CG2-CB 4.39Å; I59-I74 HydrophobicContact CG2-CD1 4.21Å; I59-I74 HydrophobicContact CG2-CG2 3.89Å; I59-F75 HydrophobicContact CD1-CB 4.07Å; I59-Y94 HydrophobicContact CD1-CE1 4.2Å; I59-V131 HydrophobicContact CG2-CG1 3.53Å; I59-K132 WeakPolarHBondContact CA-O 3.42Å; I59-V133 HydrophobicContact CG1-CG1 3.98Å; I59-V133 HydrophobicContact CG1-CG2 4.18Å; I59-V133 HydrophobicContact CG2-CG2 4.26Å
60	G	94.4	Very high	91	Very high	29 Å²	29	54.8 Å²	54.8	30%	0.299	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.7	-173.2	0	0	0	0	0	113.2	V131 K132	G60-V131 WeakPolarHBondContact O-CA 3.48Å; G60-V131 WeakPolarHBondContact O-CG1 3.34Å; G60-K132 PolarHBondContact N-O 2.99Å; G60-K132 VanDerWaalsContact N-O 3.08Å; G60-K132 PolarHBondContact O-N 3.16Å
61	S	91.3	Very high	91.3	Very high	24 Å²	24	55.8 Å²	55.8	17%	0.168	28%	0.28	C	S	.	.			trans	-142.5	134.5	168.5	-176.1	0	0	0	0	109.4	K63 E130	S61-K63 PolarHBondContact O-N 3.27Å; S61-E130 WeakPolarHBondContact CB-O 3.42Å; S61-E130 PolarHBondContact OG-O 2.79Å
62	D	87.4	Confident	91.4	Very high	162 Å²	162	53.1 Å²	53.1	87%	0.866	27%	0.266	S	S	*	.	S	Bend	trans	-72	-19.6	-179.9	-56.4	-33.8	0	0	0	112.4
63	K	83.4	Confident	91.3	Very high	166 Å²	166	55.1 Å²	55.1	72%	0.722	28%	0.28	S	S	*	.	S	Bend	trans	-96.7	-32.5	-172.5	-66.8	178.6	-179.1	166.7	0	113.6	S61	S61-K63 PolarHBondContact O-N 3.27Å
64	V	83.8	Confident	91.3	Very high	34 Å²	34	54.4 Å²	54.4	21%	0.206	28%	0.276	C	S	.	.	S	Bend	trans	-141.7	128.7	-170.4	-178	0	0	0	0	110.6	L66 I129	V64-L66 PolarHBondContact O-N 3.09Å; V64-I129 HydrophobicContact CB-CD1 3.91Å; V64-I129 HydrophobicContact CG2-CD1 4.18Å; V64-I129 HydrophobicContact CG2-CG2 4.01Å
65	K	87.6	Confident	91.3	Very high	194 Å²	194	53.8 Å²	53.8	84%	0.843	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-67.4	116.4	169.7	-173.2	170.6	-176.7	168.2	0	110.6
66	L	90.9	Very high	91.2	Very high	19 Å²	19	53.8 Å²	53.8	10%	0.099	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-79.9	143	177.8	-57.9	178.2	0	0	0	110.8	I59 V64 D70 K71 I74 V122 I129 V131	I59-L66 HydrophobicContact CG2-CD1 3.76Å; V64-L66 PolarHBondContact O-N 3.09Å; L66-D70 HydrophobicContact CB-CB 4.25Å; L66-D70 HydrophobicContact CD2-CB 4.07Å; L66-K71 HydrophobicContact CB-CG 4.12Å; L66-I74 HydrophobicContact CD1-CD1 3.8Å; L66-I74 HydrophobicContact CD2-CD1 4.06Å; L66-V122 HydrophobicContact CD2-CG1 4.2Å; L66-I129 HydrophobicContact CD2-CD1 4.02Å; L66-V131 HydrophobicContact CD1-CG1 4.13Å
67	T	87.5	Confident	91.2	Very high	50 Å²	50	55 Å²	55	31%	0.307	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-95.7	167.4	165.8	55.8	0	0	0	0	111.4	D69 D70 K71 R124	T67-D69 PolarHBondContact O-N 3.2Å; T67-D70 PolarHBondContact N-OD2 2.91Å; T67-D70 WeakPolarHBondContact O-CA 3.33Å; T67-D70 WeakPolarHBondContact O-CB 3.25Å; T67-D70 PolarHBondContact O-N 2.99Å; T67-D70 PolarHBondContact OG1-OD2 3.38Å; T67-K71 PolarHBondContact O-N 2.52Å; T67-R124 PolarHBondContact OG1-NH1 2.91Å; T67-R124 VanDerWaalsContact OG1-NH1 3.15Å; T67-R124 PolarHBondContact OG1-NH2 2.77Å
68	R	88.1	Confident	91.1	Very high	102 Å²	102	54.9 Å²	54.9	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-49.1	-40.1	174.6	-160.8	175.3	-178.2	169.7	-0.1	113.5	K71 R72 D95 G96	R68-K71 PolarHBondContact O-N 3.29Å; R68-R72 WeakPolarHBondContact O-CG 3.36Å; R68-R72 PolarHBondContact O-N 2.98Å; R68-D95 VanDerWaalsContact CZ-O 3.26Å; R68-D95 PolarHBondContact NE-O 2.81Å; R68-D95 PolarHBondContact NH2-O 2.74Å; R68-G96 WeakPolarHBondContact CG-O 3.46Å
69	D	85.3	Confident	91	Very high	91 Å²	91	50.6 Å²	50.6	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-71.1	-36.7	177.9	-66.6	-23.1	0	0	0	112.7	T67 R72 S73	T67-D69 PolarHBondContact O-N 3.2Å; D69-R72 PolarHBondContact O-N 2.86Å; D69-R72 IonicContact OD1-NH1 2.76Å; D69-S73 WeakPolarHBondContact O-CB 3.49Å; D69-S73 PolarHBondContact O-N 2.94Å
70	D	89.6	Confident	90.9	Very high	11 Å²	11	57 Å²	57	6%	0.059	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-48	174	-54.1	-60.9	0	0	0	109.7	L66 T67 R72 S73 I74 R124	L66-D70 HydrophobicContact CB-CB 4.25Å; L66-D70 HydrophobicContact CD2-CB 4.07Å; T67-D70 PolarHBondContact N-OD2 2.91Å; T67-D70 WeakPolarHBondContact O-CA 3.33Å; T67-D70 WeakPolarHBondContact O-CB 3.25Å; T67-D70 PolarHBondContact O-N 2.99Å; T67-D70 PolarHBondContact OG1-OD2 3.38Å; D70-R72 VanDerWaalsContact C-N 3.33Å; D70-R72 PolarHBondContact O-N 3Å; D70-S73 PolarHBondContact O-N 3.32Å; D70-S73 VanDerWaalsContact O-N 3.15Å; D70-I74 HydrophobicContact CB-CD1 4.38Å; D70-I74 WeakPolarHBondContact O-CB 3.47Å; D70-I74 WeakPolarHBondContact O-CD1 3.48Å; D70-I74 WeakPolarHBondContact O-CG1 3.45Å; D70-I74 PolarHBondContact O-N 2.85Å; D70-R124 IonicContact OD2-CZ 3.67Å; D70-R124 IonicContact OD2-NH1 3.47Å; D70-R124 PolarHBondContact OD2-NH1 2.79Å; D70-R124 IonicContact OD2-NH2 3Å
71	K	94	Very high	90.9	Very high	25 Å²	25	62.6 Å²	62.6	11%	0.109	30%	0.298	C	S	.	.	H	α-helix	trans	-55.8	-45.7	177	-72.8	-174.7	170.9	-171.5	0	111.6	I59 L66 T67 R68 I74 F75 G96 E97	I59-K71 HydrophobicContact CB-CG 4.22Å; I59-K71 HydrophobicContact CD1-CB 4.29Å; I59-K71 WeakPolarHBondContact CD1-O 3.28Å; I59-K71 HydrophobicContact CG2-CG 4.38Å; L66-K71 HydrophobicContact CB-CG 4.12Å; T67-K71 PolarHBondContact O-N 2.52Å; R68-K71 PolarHBondContact O-N 3.29Å; K71-I74 PolarHBondContact O-N 3.49Å; K71-F75 WeakPolarHBondContact O-CB 3.33Å; K71-F75 PolarHBondContact O-N 2.73Å; K71-G96 VanDerWaalsContact CB-O 3.27Å; K71-G96 WeakPolarHBondContact CB-O 3.37Å; K71-E97 PolarHBondContact NZ-O 2.89Å; K71-E97 IonicContact NZ-OE1 3.55Å; K71-E97 PolarHBondContact NZ-OE1 2.74Å
72	R	92.1	Very high	91	Very high	20 Å²	20	63.2 Å²	63.2	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-47.9	174.4	-75.9	175.5	177.9	160.5	-5.3	112.3	R68 D69 D70 I74 F75 W76 Y94 D95 G96	R68-R72 WeakPolarHBondContact O-CG 3.36Å; R68-R72 PolarHBondContact O-N 2.98Å; D69-R72 PolarHBondContact O-N 2.86Å; D69-R72 IonicContact OD1-NH1 2.76Å; D70-R72 VanDerWaalsContact C-N 3.33Å; D70-R72 PolarHBondContact O-N 3Å; R72-I74 VanDerWaalsContact C-N 3.33Å; R72-I74 PolarHBondContact O-N 2.58Å; R72-F75 PolarHBondContact O-N 2.91Å; R72-W76 PolarHBondContact O-N 3.42Å; R72-Y94 HydrophobicContact CG-CD1 4.46Å; R72-D95 PolarHBondContact NE-O 2.93Å; R72-D95 PolarHBondContact NH2-O 2.8Å; R72-G96 VanDerWaalsContact CG-CA 3.45Å
73	S	90.1	Very high	91.2	Very high	42 Å²	42	64.5 Å²	64.5	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-43.2	179.5	-171.9	0	0	0	0	111.7	D69 D70 K77	D69-S73 WeakPolarHBondContact O-CB 3.49Å; D69-S73 PolarHBondContact O-N 2.94Å; D70-S73 PolarHBondContact O-N 3.32Å; D70-S73 VanDerWaalsContact O-N 3.15Å; S73-K77 WeakPolarHBondContact O-CG 3.48Å; S73-K77 PolarHBondContact O-N 3.42Å; S73-K77 VanDerWaalsContact O-N 3.1Å
74	I	94.4	Very high	91.6	Very high	1 Å²	1	66 Å²	66	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-49.1	177.1	-68.8	159.6	0	0	0	110.3	I59 L66 D70 K71 R72 W76 K77 L78 M118 V120 V122 V131 V133	I59-I74 HydrophobicContact CG2-CB 4.39Å; I59-I74 HydrophobicContact CG2-CD1 4.21Å; I59-I74 HydrophobicContact CG2-CG2 3.89Å; L66-I74 HydrophobicContact CD1-CD1 3.8Å; L66-I74 HydrophobicContact CD2-CD1 4.06Å; D70-I74 HydrophobicContact CB-CD1 4.38Å; D70-I74 WeakPolarHBondContact O-CB 3.47Å; D70-I74 WeakPolarHBondContact O-CD1 3.48Å; D70-I74 WeakPolarHBondContact O-CG1 3.45Å; D70-I74 PolarHBondContact O-N 2.85Å; K71-I74 PolarHBondContact O-N 3.49Å; R72-I74 VanDerWaalsContact C-N 3.33Å; R72-I74 PolarHBondContact O-N 2.58Å; I74-W76 VanDerWaalsContact C-N 3.34Å; I74-W76 PolarHBondContact O-N 3.16Å; I74-K77 WeakPolarHBondContact O-CB 3.43Å; I74-K77 PolarHBondContact O-N 2.87Å; I74-K77 VanDerWaalsContact O-N 3.16Å; I74-L78 PolarHBondContact O-N 2.88Å; I74-M118 HydrophobicContact CG2-SD 3.89Å; I74-V120 HydrophobicContact CG1-CB 4.36Å; I74-V120 HydrophobicContact CG1-CG1 4.1Å; I74-V120 HydrophobicContact CG1-CG2 4.28Å; I74-V122 HydrophobicContact CD1-CG1 4.29Å; I74-V131 HydrophobicContact CD1-CG1 4.23Å; I74-V131 HydrophobicContact CD1-CG2 4.1Å; I74-V131 HydrophobicContact CG2-CG1 4.13Å; I74-V133 HydrophobicContact CG2-CG2 4.16Å
75	F	95.9	Very high	92	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-55.4	-47.4	178.3	176.8	-98.4	0	0	0	111.9	I59 K71 R72 K77 L78 V79 Y94 L100 I135	I59-F75 HydrophobicContact CD1-CB 4.07Å; K71-F75 WeakPolarHBondContact O-CB 3.33Å; K71-F75 PolarHBondContact O-N 2.73Å; R72-F75 PolarHBondContact O-N 2.91Å; F75-K77 VanDerWaalsContact C-N 3.34Å; F75-K77 PolarHBondContact O-N 3.4Å; F75-L78 VanDerWaalsContact O-CB 3.29Å; F75-L78 WeakPolarHBondContact O-CB 3.17Å; F75-L78 PolarHBondContact O-N 3.4Å; F75-L78 VanDerWaalsContact O-N 3.13Å; F75-V79 HydrophobicContact CD1-CG2 4.14Å; F75-V79 HydrophobicContact CE1-CG2 3.64Å; F75-V79 HydrophobicContact CE2-CG2 4.17Å; F75-V79 HydrophobicContact CZ-CG2 3.64Å; F75-V79 WeakPolarHBondContact O-CG2 3.08Å; F75-V79 PolarHBondContact O-N 3.41Å; F75-Y94 HydrophobicContact CB-CD1 3.61Å; F75-Y94 HydrophobicContact CB-CE1 3.69Å; F75-Y94 AromaticContact CD1-CD1 3.63Å; F75-Y94 HydrophobicContact CD1-CD1 3.63Å; F75-Y94 AromaticContact CD1-CG 3.95Å; F75-Y94 HydrophobicContact CD1-CG 3.95Å; F75-Y94 HydrophobicContact CD2-CD1 4.09Å; F75-Y94 HydrophobicContact CD2-CE1 4.43Å; F75-Y94 HydrophobicContact CD2-CG 4.24Å; F75-Y94 HydrophobicContact CE1-CD1 4.35Å; F75-Y94 HydrophobicContact CE1-CG 4.21Å; F75-Y94 HydrophobicContact CE2-CG 4.49Å; F75-Y94 AromaticContact CG-CD1 3.48Å; F75-Y94 HydrophobicContact CG-CD1 3.48Å; F75-Y94 VanDerWaalsContact CG-CD1 3.48Å; F75-Y94 AromaticContact CG-CE1 3.97Å; F75-Y94 HydrophobicContact CG-CE1 3.97Å; F75-Y94 AromaticContact CG-CG 3.97Å; F75-Y94 HydrophobicContact CG-CG 3.97Å; F75-Y94 HydrophobicContact CZ-CG 4.48Å; F75-L100 HydrophobicContact CE1-CD1 4.37Å; F75-L100 HydrophobicContact CE2-CD1 4.1Å; F75-L100 HydrophobicContact CE2-CD2 4.09Å; F75-L100 HydrophobicContact CZ-CD1 3.54Å; F75-L100 HydrophobicContact CZ-CD2 4.24Å; F75-I135 HydrophobicContact CE2-CD1 4.33Å
76	W	94.8	Very high	92.3	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-71	-28.1	-179.6	-70.7	116.4	0	0	0	113.7	R72 I74 V79 K80 V92 C176 T177 L178 F407	R72-W76 PolarHBondContact O-N 3.42Å; I74-W76 VanDerWaalsContact C-N 3.34Å; I74-W76 PolarHBondContact O-N 3.16Å; W76-V79 HydrophobicContact CE3-CB 4.04Å; W76-V79 HydrophobicContact CE3-CG1 4.08Å; W76-V79 HydrophobicContact CE3-CG2 4.09Å; W76-V79 HydrophobicContact CZ3-CB 4.41Å; W76-V79 HydrophobicContact CZ3-CG1 4.08Å; W76-V79 HydrophobicContact CZ3-CG2 4.25Å; W76-K80 WeakPolarHBondContact O-CB 3.36Å; W76-K80 PolarHBondContact O-N 3.17Å; W76-V92 HydrophobicContact CH2-CG2 4.07Å; W76-V92 HydrophobicContact CZ3-CG2 4.17Å; W76-C176 HydrophobicContact CD2-CB 4.21Å; W76-C176 HydrophobicContact CH2-CB 4.41Å; W76-C176 HydrophobicContact CZ2-CB 3.81Å; W76-T177 WeakPolarHBondContact CB-OG1 3.33Å; W76-L178 HydrophobicContact CE3-CD1 3.72Å; W76-L178 HydrophobicContact CE3-CG 4.09Å; W76-L178 HydrophobicContact CZ3-CD1 4.06Å; W76-F407 AromaticContact CH2-CE1 3.62Å; W76-F407 HydrophobicContact CH2-CE1 3.62Å; W76-F407 AromaticContact CH2-CZ 3.73Å; W76-F407 HydrophobicContact CH2-CZ 3.73Å; W76-F407 HydrophobicContact CZ2-CE1 4.17Å; W76-F407 HydrophobicContact CZ2-CZ 4.07Å; W76-F407 HydrophobicContact CZ3-CZ 4.46Å
77	K	93.8	Very high	92.4	Very high	85 Å²	85	60.6 Å²	60.6	37%	0.37	28%	0.282	S	S	.	.	H	α-helix	trans	-66	-41.1	168.1	-73.5	174.7	-176.1	179.2	0	111.4	S73 I74 F75 K80 K81 M118 V120	S73-K77 WeakPolarHBondContact O-CG 3.48Å; S73-K77 PolarHBondContact O-N 3.42Å; S73-K77 VanDerWaalsContact O-N 3.1Å; I74-K77 WeakPolarHBondContact O-CB 3.43Å; I74-K77 PolarHBondContact O-N 2.87Å; I74-K77 VanDerWaalsContact O-N 3.16Å; F75-K77 VanDerWaalsContact C-N 3.34Å; F75-K77 PolarHBondContact O-N 3.4Å; K77-K80 PolarHBondContact O-N 2.73Å; K77-K81 WeakPolarHBondContact O-CB 3.29Å; K77-K81 PolarHBondContact O-N 3.25Å; K77-M118 HydrophobicContact CB-CE 4.48Å; K77-V120 HydrophobicContact CD-CG1 3.67Å; K77-V120 VanDerWaalsContact NZ-CG1 3.32Å
78	L	95.5	Very high	92.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-47.9	175.5	179.8	79.5	0	0	0	111.3	I74 F75 K80 K81 N82 F114 S116 M118 V133 I135	I74-L78 PolarHBondContact O-N 2.88Å; F75-L78 VanDerWaalsContact O-CB 3.29Å; F75-L78 WeakPolarHBondContact O-CB 3.17Å; F75-L78 PolarHBondContact O-N 3.4Å; F75-L78 VanDerWaalsContact O-N 3.13Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 3.13Å; L78-K81 PolarHBondContact O-N 2.83Å; L78-N82 WeakPolarHBondContact CD1-ND2 3.19Å; L78-N82 WeakPolarHBondContact O-CB 3.16Å; L78-N82 PolarHBondContact O-N 3.14Å; L78-N82 PolarHBondContact O-ND2 2.93Å; L78-F114 HydrophobicContact CD1-CE1 4.2Å; L78-F114 HydrophobicContact CD2-CE1 4.15Å; L78-F114 HydrophobicContact CG-CE1 4.4Å; L78-S116 VanDerWaalsContact CD1-CB 3.5Å; L78-S116 WeakPolarHBondContact CD1-OG 3.21Å; L78-M118 HydrophobicContact CB-CE 4.01Å; L78-M118 HydrophobicContact CB-SD 4.37Å; L78-M118 HydrophobicContact CD1-CE 4.04Å; L78-V133 HydrophobicContact CD2-CB 4.12Å; L78-V133 HydrophobicContact CD2-CG1 3.63Å; L78-V133 HydrophobicContact CD2-CG2 4.41Å; L78-I135 HydrophobicContact CD2-CD1 4.16Å
79	V	95.6	Very high	92.9	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-56.6	-46.4	175.8	170	0	0	0	0	110.7	F75 W76 K81 N82 F86 P89 L178	F75-V79 HydrophobicContact CD1-CG2 4.14Å; F75-V79 HydrophobicContact CE1-CG2 3.64Å; F75-V79 HydrophobicContact CE2-CG2 4.17Å; F75-V79 HydrophobicContact CZ-CG2 3.64Å; F75-V79 WeakPolarHBondContact O-CG2 3.08Å; F75-V79 PolarHBondContact O-N 3.41Å; W76-V79 HydrophobicContact CE3-CB 4.04Å; W76-V79 HydrophobicContact CE3-CG1 4.08Å; W76-V79 HydrophobicContact CE3-CG2 4.09Å; W76-V79 HydrophobicContact CZ3-CB 4.41Å; W76-V79 HydrophobicContact CZ3-CG1 4.08Å; W76-V79 HydrophobicContact CZ3-CG2 4.25Å; V79-K81 VanDerWaalsContact C-N 3.33Å; V79-K81 PolarHBondContact O-N 3.18Å; V79-N82 PolarHBondContact O-N 2.97Å; V79-F86 HydrophobicContact CB-CD2 4.31Å; V79-F86 HydrophobicContact CB-CG 4.3Å; V79-F86 HydrophobicContact CG1-CB 3.84Å; V79-F86 HydrophobicContact CG1-CG 4.09Å; V79-F86 HydrophobicContact CG2-CD1 4.03Å; V79-F86 HydrophobicContact CG2-CD2 4.12Å; V79-F86 HydrophobicContact CG2-CE1 4.15Å; V79-F86 HydrophobicContact CG2-CE2 4.24Å; V79-F86 HydrophobicContact CG2-CG 4Å; V79-F86 HydrophobicContact CG2-CZ 4.25Å; V79-P89 HydrophobicContact CG1-CB 3.68Å; V79-L178 HydrophobicContact CG1-CD1 4.04Å
80	K	93.8	Very high	93.4	Very high	138 Å²	138	57.6 Å²	57.6	60%	0.6	27%	0.267	S	S	*	.	H	α-helix	trans	-61.5	-38.6	177.8	-168.2	175.2	178.3	177.3	0	113	W76 K77 L78 L178	W76-K80 WeakPolarHBondContact O-CB 3.36Å; W76-K80 PolarHBondContact O-N 3.17Å; K77-K80 PolarHBondContact O-N 2.73Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 3.13Å; K80-L178 HydrophobicContact CB-CD2 4.11Å; K80-L178 HydrophobicContact CD-CD2 4.19Å; K80-L178 HydrophobicContact CG-CD2 4.31Å
81	K	93.6	Very high	93.6	Very high	146 Å²	146	57.5 Å²	57.5	64%	0.635	27%	0.267	S	S	*	.	H	α-helix	trans	-76.5	-31.9	-177.8	-169.5	179.2	177	-171.8	0	112.6	K77 L78 V79 M118	K77-K81 WeakPolarHBondContact O-CB 3.29Å; K77-K81 PolarHBondContact O-N 3.25Å; L78-K81 PolarHBondContact O-N 2.83Å; V79-K81 VanDerWaalsContact C-N 3.33Å; V79-K81 PolarHBondContact O-N 3.18Å; K81-M118 HydrophobicContact CD-CE 4.31Å
82	N	94.2	Very high	93.8	Very high	38 Å²	38	56.3 Å²	56.3	20%	0.203	26%	0.262	C	S	.	.			trans	-109.1	54.9	-172.6	-65	-75	0	0	0	112.8	L78 V79 K84 V85 F86 F114	L78-N82 WeakPolarHBondContact CD1-ND2 3.19Å; L78-N82 WeakPolarHBondContact O-CB 3.16Å; L78-N82 PolarHBondContact O-N 3.14Å; L78-N82 PolarHBondContact O-ND2 2.93Å; V79-N82 PolarHBondContact O-N 2.97Å; N82-K84 PolarHBondContact O-N 3.46Å; N82-K84 VanDerWaalsContact O-N 3.09Å; N82-V85 HydrophobicContact CB-CB 4.45Å; N82-V85 PolarHBondContact O-N 3.4Å; N82-F86 HydrophobicContact CB-CD2 4.08Å; N82-F86 HydrophobicContact CB-CE2 4.26Å; N82-F86 PolarHBondContact O-N 3.03Å; N82-F114 HydrophobicContact CB-CZ 4.28Å
83	R	91.9	Very high	94	Very high	189 Å²	189	55.3 Å²	55.3	71%	0.713	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.4	-177.8	-71.4	-170.9	172.4	177.3	-4.7	115.1	V85 F86 T87	R83-V85 VanDerWaalsContact C-N 3.31Å; R83-F86 CarbonylContact O-C 3.05Å; R83-T87 WeakPolarHBondContact O-CA 3.34Å; R83-T87 PolarHBondContact O-N 3.39Å
84	K	90.7	Very high	94.3	Very high	197 Å²	197	53.3 Å²	53.3	86%	0.857	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.1	174.3	-66	-174.3	179.5	-177.5	0	112.4	N82	N82-K84 PolarHBondContact O-N 3.46Å; N82-K84 VanDerWaalsContact O-N 3.09Å
85	V	92.8	Very high	94.2	Very high	22 Å²	22	54.4 Å²	54.4	13%	0.133	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-41.5	177.7	-179	0	0	0	0	110.4	N82 R83 P107 F114	N82-V85 HydrophobicContact CB-CB 4.45Å; N82-V85 PolarHBondContact O-N 3.4Å; R83-V85 VanDerWaalsContact C-N 3.31Å; V85-P107 HydrophobicContact CB-CG 4.4Å; V85-P107 HydrophobicContact CG1-CG 4.24Å; V85-P107 VanDerWaalsContact O-CD 3.27Å; V85-P107 WeakPolarHBondContact O-CD 3.49Å; V85-F114 HydrophobicContact CG1-CD2 4.48Å; V85-F114 HydrophobicContact CG2-CD2 4.07Å; V85-F114 HydrophobicContact CG2-CE2 3.72Å; V85-F114 HydrophobicContact CG2-CZ 4.35Å
86	F	94.2	Very high	94	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.022	25%	0.25	C	S	.	.			trans	-108.5	66.3	-178.7	-54.7	-81	0	0	0	111.1	V79 N82 R83 K88 V92 L106 I135	V79-F86 HydrophobicContact CB-CD2 4.31Å; V79-F86 HydrophobicContact CB-CG 4.3Å; V79-F86 HydrophobicContact CG1-CB 3.84Å; V79-F86 HydrophobicContact CG1-CG 4.09Å; V79-F86 HydrophobicContact CG2-CD1 4.03Å; V79-F86 HydrophobicContact CG2-CD2 4.12Å; V79-F86 HydrophobicContact CG2-CE1 4.15Å; V79-F86 HydrophobicContact CG2-CE2 4.24Å; V79-F86 HydrophobicContact CG2-CG 4Å; V79-F86 HydrophobicContact CG2-CZ 4.25Å; N82-F86 HydrophobicContact CB-CD2 4.08Å; N82-F86 HydrophobicContact CB-CE2 4.26Å; N82-F86 PolarHBondContact O-N 3.03Å; R83-F86 CarbonylContact O-C 3.05Å; F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 PolarHBondContact O-N 3.19Å; F86-V92 HydrophobicContact CD1-CG1 4.35Å; F86-L106 HydrophobicContact CD1-CD1 4.42Å; F86-L106 HydrophobicContact CD1-CD2 3.91Å; F86-L106 HydrophobicContact CE1-CD1 3.81Å; F86-L106 HydrophobicContact CE1-CD2 4.14Å; F86-I135 HydrophobicContact CZ-CD1 3.78Å
87	T	91.5	Very high	93.8	Very high	106 Å²	106	58.2 Å²	58.2	65%	0.65	27%	0.268	S	S	*	.	S	Bend	trans	-62.4	-36.2	-177.8	52.6	0	0	0	0	112.5	R83 P89	R83-T87 WeakPolarHBondContact O-CA 3.34Å; R83-T87 PolarHBondContact O-N 3.39Å; T87-P89 WeakPolarHBondContact O-CD 3.34Å
88	K	93.3	Very high	93.9	Very high	85 Å²	85	55.5 Å²	55.5	37%	0.37	26%	0.261	S	S	.	.	S	Bend	trans	-115.1	85.3	174.7	-66.5	177.5	-175	165.5	0	110	F86 F90 S91 E104	F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 PolarHBondContact O-N 3.19Å; K88-F90 PolarHBondContact O-N 3.36Å; K88-F90 VanDerWaalsContact O-N 3.15Å; K88-S91 VanDerWaalsContact CB-OG 3.31Å; K88-S91 WeakPolarHBondContact CB-OG 3.01Å; K88-S91 PolarHBondContact O-N 2.9Å; K88-S91 PolarHBondContact O-OG 3.38Å; K88-E104 IonicContact NZ-OE1 3.35Å; K88-E104 PolarHBondContact NZ-OE1 2.76Å; K88-E104 IonicContact NZ-OE2 3.83Å; K88-E104 PolarHBondContact NZ-OE2 3.29Å
89	P	94	Very high	93.8	Very high	36 Å²	36	57 Å²	57	23%	0.234	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-65.1	-20.8	-173.5	25.4	-35.1	0	0	0	114.2	V79 T87 V92 L178	V79-P89 HydrophobicContact CG1-CB 3.68Å; T87-P89 WeakPolarHBondContact O-CD 3.34Å; P89-V92 WeakPolarHBondContact O-CG2 3.3Å; P89-L178 HydrophobicContact CB-CD1 3.84Å; P89-L178 HydrophobicContact CG-CD1 4.5Å
90	F	95.3	Very high	93.9	Very high	59 Å²	59	56.9 Å²	56.9	26%	0.259	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-87.5	-8.3	176.5	-58.2	-52.4	0	0	0	113.3	K88 V92 L178 V179 E406 F407 E410	K88-F90 PolarHBondContact O-N 3.36Å; K88-F90 VanDerWaalsContact O-N 3.15Å; F90-V92 PolarHBondContact O-N 3.13Å; F90-L178 HydrophobicContact CE1-CB 4.37Å; F90-V179 HydrophobicContact CD1-CG2 4.5Å; F90-V179 HydrophobicContact CE1-CG2 3.75Å; F90-E406 HydrophobicContact CB-CB 4.22Å; F90-E406 HydrophobicContact CD1-CB 4.19Å; F90-E406 HydrophobicContact CD2-CB 4.14Å; F90-E406 HydrophobicContact CG-CB 3.92Å; F90-F407 HydrophobicContact CB-CD1 4.43Å; F90-F407 HydrophobicContact CB-CE1 4.41Å; F90-F407 HydrophobicContact CD1-CD2 4.43Å; F90-F407 HydrophobicContact CD1-CE1 4.02Å; F90-F407 AromaticContact CD1-CE2 3.84Å; F90-F407 HydrophobicContact CD1-CE2 3.84Å; F90-F407 AromaticContact CD1-CZ 3.61Å; F90-F407 HydrophobicContact CD1-CZ 3.61Å; F90-F407 HydrophobicContact CE1-CE2 4.36Å; F90-F407 HydrophobicContact CE1-CZ 4.26Å; F90-F407 WeakPolarHBondContact O-CD1 3.27Å; F90-E410 HydrophobicContact CB-CG 3.8Å
91	S	95	Very high	94	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.063	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-89.5	15.4	173.2	81.6	0	0	0	0	112.6	K88 S102 K103 F411	K88-S91 VanDerWaalsContact CB-OG 3.31Å; K88-S91 WeakPolarHBondContact CB-OG 3.01Å; K88-S91 PolarHBondContact O-N 2.9Å; K88-S91 PolarHBondContact O-OG 3.38Å; S91-S102 CarbonylContact O-C 3.59Å; S91-S102 VanDerWaalsContact O-CA 3.27Å; S91-S102 WeakPolarHBondContact O-CA 3.29Å; S91-K103 PolarHBondContact O-N 2.81Å; S91-F411 VanDerWaalsContact O-CZ 3.32Å; S91-F411 WeakPolarHBondContact O-CZ 3.29Å
92	V	96.7	Very high	94.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.1	175.1	-63.1	0	0	0	0	111.3	W76 F86 P89 F90 L100 F101 L106 F407	W76-V92 HydrophobicContact CH2-CG2 4.07Å; W76-V92 HydrophobicContact CZ3-CG2 4.17Å; F86-V92 HydrophobicContact CD1-CG1 4.35Å; P89-V92 WeakPolarHBondContact O-CG2 3.3Å; F90-V92 PolarHBondContact O-N 3.13Å; V92-L100 HydrophobicContact CB-CD1 4.05Å; V92-F101 CarbonylContact C-O 3.59Å; V92-F101 VanDerWaalsContact CA-O 3.24Å; V92-F101 WeakPolarHBondContact CA-O 3.14Å; V92-L106 HydrophobicContact CG1-CD2 4.1Å; V92-F407 WeakPolarHBondContact O-CD1 3.47Å; V92-F407 WeakPolarHBondContact O-CE1 3.21Å
93	A	96.4	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	118.8	-179	0	0	0	0	0	110.7	L100 F101 V168 I169 Q172 F411	A93-L100 WeakPolarHBondContact O-CA 3.42Å; A93-F101 PolarHBondContact N-O 3.03Å; A93-F101 PolarHBondContact O-N 3.34Å; A93-V168 HydrophobicContact CB-CG1 4.02Å; A93-I169 HydrophobicContact CB-CG1 3.85Å; A93-Q172 HydrophobicContact CB-CG 3.67Å; A93-F411 HydrophobicContact CB-CE2 4.19Å; A93-F411 HydrophobicContact CB-CZ 4Å
94	Y	95.7	Very high	94.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.4	-176.7	177.8	-134	0	0	0	111.4	V57 I59 R72 F75 G96 E97 L99 L100 Q172	V57-Y94 HydrophobicContact CB-CE2 3.93Å; V57-Y94 HydrophobicContact CG1-CE2 4.1Å; V57-Y94 HydrophobicContact CG2-CD2 4.31Å; V57-Y94 HydrophobicContact CG2-CE2 4.17Å; I59-Y94 HydrophobicContact CD1-CE1 4.2Å; R72-Y94 HydrophobicContact CG-CD1 4.46Å; F75-Y94 HydrophobicContact CB-CD1 3.61Å; F75-Y94 HydrophobicContact CB-CE1 3.69Å; F75-Y94 AromaticContact CD1-CD1 3.63Å; F75-Y94 HydrophobicContact CD1-CD1 3.63Å; F75-Y94 AromaticContact CD1-CG 3.95Å; F75-Y94 HydrophobicContact CD1-CG 3.95Å; F75-Y94 HydrophobicContact CD2-CD1 4.09Å; F75-Y94 HydrophobicContact CD2-CE1 4.43Å; F75-Y94 HydrophobicContact CD2-CG 4.24Å; F75-Y94 HydrophobicContact CE1-CD1 4.35Å; F75-Y94 HydrophobicContact CE1-CG 4.21Å; F75-Y94 HydrophobicContact CE2-CG 4.49Å; F75-Y94 AromaticContact CG-CD1 3.48Å; F75-Y94 HydrophobicContact CG-CD1 3.48Å; F75-Y94 VanDerWaalsContact CG-CD1 3.48Å; F75-Y94 AromaticContact CG-CE1 3.97Å; F75-Y94 HydrophobicContact CG-CE1 3.97Å; F75-Y94 AromaticContact CG-CG 3.97Å; F75-Y94 HydrophobicContact CG-CG 3.97Å; F75-Y94 HydrophobicContact CZ-CG 4.48Å; Y94-G96 PolarHBondContact O-N 2.67Å; Y94-G96 VanDerWaalsContact OH-C 3.27Å; Y94-G96 PolarHBondContact OH-O 3.3Å; Y94-E97 PolarHBondContact OH-N 2.89Å; Y94-E97 PolarHBondContact OH-O 2.78Å; Y94-L99 VanDerWaalsContact CD2-O 3.28Å; Y94-L99 WeakPolarHBondContact CD2-O 3.48Å; Y94-L100 HydrophobicContact CD2-CB 4.41Å; Y94-Q172 VanDerWaalsContact N-NE2 3.2Å; Y94-Q172 PolarHBondContact O-NE2 2.94Å
95	D	92.6	Very high	94.2	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.123	19%	0.189	C	C	.	.			trans	-68.9	-19.4	-179.9	75.4	-18.9	0	0	0	112.8	R68 R72 E97 A98 L99 V168	R68-D95 VanDerWaalsContact CZ-O 3.26Å; R68-D95 PolarHBondContact NE-O 2.81Å; R68-D95 PolarHBondContact NH2-O 2.74Å; R72-D95 PolarHBondContact NE-O 2.93Å; R72-D95 PolarHBondContact NH2-O 2.8Å; D95-E97 PolarHBondContact OD1-N 3.16Å; D95-A98 PolarHBondContact OD1-N 3.02Å; D95-L99 HydrophobicContact CB-CB 4.32Å; D95-L99 VanDerWaalsContact CG-N 3.34Å; D95-L99 PolarHBondContact N-O 2.82Å; D95-L99 PolarHBondContact OD1-N 2.91Å; D95-L99 PolarHBondContact OD2-N 3.39Å; D95-V168 HydrophobicContact CB-CG1 4.21Å; D95-V168 HydrophobicContact CB-CG2 3.88Å
96	G	91.9	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	97.1	-2.3	-177.2	0	0	0	0	0	114.4	R68 K71 R72 Y94	R68-G96 WeakPolarHBondContact CG-O 3.46Å; K71-G96 VanDerWaalsContact CB-O 3.27Å; K71-G96 WeakPolarHBondContact CB-O 3.37Å; R72-G96 VanDerWaalsContact CG-CA 3.45Å; Y94-G96 PolarHBondContact O-N 2.67Å; Y94-G96 VanDerWaalsContact OH-C 3.27Å; Y94-G96 PolarHBondContact OH-O 3.3Å
97	E	92.1	Very high	94.2	Very high	82 Å²	82	39.2 Å²	39.2	38%	0.383	22%	0.215	S	C	.	.	S	Bend	trans	-126.3	-60.1	-174.8	-160.5	63	-138.9	0	0	113	K71 Y94 D95	K71-E97 PolarHBondContact NZ-O 2.89Å; K71-E97 IonicContact NZ-OE1 3.55Å; K71-E97 PolarHBondContact NZ-OE1 2.74Å; Y94-E97 PolarHBondContact OH-N 2.89Å; Y94-E97 PolarHBondContact OH-O 2.78Å; D95-E97 PolarHBondContact OD1-N 3.16Å
98	A	94	Very high	94.2	Very high	28 Å²	28	35.3 Å²	35.3	23%	0.231	19%	0.19	C	C	.	.	S	Bend	trans	-153.2	-14.8	-172.4	0	0	0	0	0	115.6	H56 V57 D95	H56-A98 WeakPolarHBondContact CA-O 3.14Å; V57-A98 PolarHBondContact N-O 3.41Å; V57-A98 WeakPolarHBondContact O-CA 2.78Å; D95-A98 PolarHBondContact OD1-N 3.02Å
99	L	95	Very high	93.8	Very high	31 Å²	31	39.6 Å²	39.6	16%	0.162	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.2	-173.7	-65.7	172.9	0	0	0	111.5	Y94 D95 F101 Q160	Y94-L99 VanDerWaalsContact CD2-O 3.28Å; Y94-L99 WeakPolarHBondContact CD2-O 3.48Å; D95-L99 HydrophobicContact CB-CB 4.32Å; D95-L99 VanDerWaalsContact CG-N 3.34Å; D95-L99 PolarHBondContact N-O 2.82Å; D95-L99 PolarHBondContact OD1-N 2.91Å; D95-L99 PolarHBondContact OD2-N 3.39Å; L99-F101 HydrophobicContact CB-CE2 4.2Å; L99-F101 HydrophobicContact CB-CZ 4.36Å; L99-Q160 HydrophobicContact CD1-CG 3.98Å
100	L	96.5	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.6	174.4	169.6	69.8	0	0	0	109.5	Q54 Y55 V57 F75 V92 A93 Y94 L106 I135	Q54-L100 CarbonylContact C-O 3.51Å; Y55-L100 HydrophobicContact CD2-CD2 4.25Å; Y55-L100 HydrophobicContact CD2-CG 4.18Å; Y55-L100 HydrophobicContact CG-CD2 4.33Å; Y55-L100 PolarHBondContact N-O 3.34Å; Y55-L100 PolarHBondContact O-N 2.96Å; V57-L100 HydrophobicContact CG2-CB 3.44Å; V57-L100 VanDerWaalsContact CG2-CB 3.44Å; V57-L100 HydrophobicContact CG2-CD2 4.01Å; V57-L100 HydrophobicContact CG2-CG 4.36Å; F75-L100 HydrophobicContact CE1-CD1 4.37Å; F75-L100 HydrophobicContact CE2-CD1 4.1Å; F75-L100 HydrophobicContact CE2-CD2 4.09Å; F75-L100 HydrophobicContact CZ-CD1 3.54Å; F75-L100 HydrophobicContact CZ-CD2 4.24Å; V92-L100 HydrophobicContact CB-CD1 4.05Å; A93-L100 WeakPolarHBondContact O-CA 3.42Å; Y94-L100 HydrophobicContact CD2-CB 4.41Å; L100-L106 HydrophobicContact CD2-CD1 4.11Å; L100-I135 HydrophobicContact CD2-CD1 4.34Å; L100-I135 HydrophobicContact CD2-CG2 3.92Å
101	F	96.4	Very high	92.6	Very high	1 Å²	1	50 Å²	50	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.9	173.3	-57	-78.4	0	0	0	110	V52 V53 Q54 V92 A93 L99 V141 Q160 V165 V168	V52-F101 HydrophobicContact CG2-CD1 4.29Å; V53-F101 CarbonylContact O-C 3.54Å; V53-F101 VanDerWaalsContact O-CA 3.28Å; V53-F101 WeakPolarHBondContact O-CA 3.48Å; Q54-F101 HydrophobicContact CB-CD1 4.13Å; Q54-F101 HydrophobicContact CB-CE1 4.03Å; Q54-F101 HydrophobicContact CG-CD1 4.13Å; Q54-F101 HydrophobicContact CG-CE1 3.65Å; Q54-F101 HydrophobicContact CG-CZ 4.41Å; V92-F101 CarbonylContact C-O 3.59Å; V92-F101 VanDerWaalsContact CA-O 3.24Å; V92-F101 WeakPolarHBondContact CA-O 3.14Å; A93-F101 PolarHBondContact N-O 3.03Å; A93-F101 PolarHBondContact O-N 3.34Å; L99-F101 HydrophobicContact CB-CE2 4.2Å; L99-F101 HydrophobicContact CB-CZ 4.36Å; F101-V141 HydrophobicContact CE1-CG2 4.35Å; F101-Q160 HydrophobicContact CE1-CB 4.47Å; F101-Q160 HydrophobicContact CZ-CB 4.26Å; F101-Q160 HydrophobicContact CZ-CG 4.14Å; F101-V165 HydrophobicContact CB-CG1 4.15Å; F101-V165 HydrophobicContact CD1-CG1 3.92Å; F101-V165 HydrophobicContact CD1-CG2 4.08Å; F101-V165 HydrophobicContact CD2-CG1 3.97Å; F101-V165 HydrophobicContact CE1-CG1 4.31Å; F101-V165 HydrophobicContact CE1-CG2 3.68Å; F101-V165 HydrophobicContact CE2-CG1 4.38Å; F101-V165 HydrophobicContact CE2-CG2 4.37Å; F101-V165 HydrophobicContact CG-CG1 3.72Å; F101-V165 HydrophobicContact CZ-CG2 3.84Å; F101-V168 HydrophobicContact CD2-CB 4.26Å; F101-V168 HydrophobicContact CD2-CG1 4.07Å; F101-V168 HydrophobicContact CE2-CB 4.22Å; F101-V168 HydrophobicContact CE2-CG1 4.32Å; F101-V168 HydrophobicContact CE2-CG2 4.12Å
102	S	96.1	Very high	92.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.7	171.1	75.8	0	0	0	0	111.3	V52 V53 Y55 S91 E104	V52-S102 CarbonylContact C-O 3.48Å; V52-S102 WeakPolarHBondContact CA-O 3.22Å; V53-S102 PolarHBondContact N-O 2.87Å; V53-S102 PolarHBondContact O-N 2.75Å; Y55-S102 VanDerWaalsContact CE2-OG 3.23Å; Y55-S102 WeakPolarHBondContact CE2-OG 3.16Å; Y55-S102 PolarHBondContact OH-OG 3.39Å; S91-S102 CarbonylContact O-C 3.59Å; S91-S102 VanDerWaalsContact O-CA 3.27Å; S91-S102 WeakPolarHBondContact O-CA 3.29Å; S102-E104 VanDerWaalsContact CB-O 3.27Å; S102-E104 WeakPolarHBondContact CB-O 3.36Å; S102-E104 PolarHBondContact OG-O 3.06Å
103	K	93.3	Very high	92.2	Very high	61 Å²	61	53.5 Å²	53.5	27%	0.265	29%	0.29	S	S	.	.	S	Bend	trans	-70.2	-43.2	176.7	178.7	59	-167.4	151.5	0	112	I50 E51 S91 F411	I50-K103 HydrophobicContact CG2-CD 4.3Å; E51-K103 PolarHBondContact O-NZ 3.06Å; S91-K103 PolarHBondContact O-N 2.81Å; K103-F411 HydrophobicContact CB-CD1 4.24Å; K103-F411 HydrophobicContact CB-CE1 4.27Å
104	E	91.5	Very high	92.1	Very high	97 Å²	97	55.2 Å²	55.2	45%	0.453	30%	0.297	S	S	.	.	S	Bend	trans	-111.9	146.7	174	-69.5	170.7	-174.6	0	0	108.9	K88 S102 L106	K88-E104 IonicContact NZ-OE1 3.35Å; K88-E104 PolarHBondContact NZ-OE1 2.76Å; K88-E104 IonicContact NZ-OE2 3.83Å; K88-E104 PolarHBondContact NZ-OE2 3.29Å; S102-E104 VanDerWaalsContact CB-O 3.27Å; S102-E104 WeakPolarHBondContact CB-O 3.36Å; S102-E104 PolarHBondContact OG-O 3.06Å; E104-L106 PolarHBondContact O-N 2.95Å
105	P	93.4	Very high	92.1	Very high	94 Å²	94	62.2 Å²	62.2	61%	0.61	33%	0.33	S	S	*	.			trans	-54.3	133.1	175.8	-21.5	29.7	0	0	0	111.9	V53 Y55	V53-P105 HydrophobicContact CG2-CB 4.3Å; V53-P105 HydrophobicContact CG2-CG 3.92Å; Y55-P105 WeakPolarHBondContact OH-CA 3.35Å
106	L	94.8	Very high	92.2	Very high	16 Å²	16	62 Å²	62	8%	0.084	33%	0.331	C	S	.	.			trans	-67.7	152.7	168.5	-63.1	177.3	0	0	0	108.6	Y55 F86 V92 L100 E104 I108	Y55-L106 HydrophobicContact CD1-CD1 4.44Å; Y55-L106 HydrophobicContact CD2-CD1 4.49Å; Y55-L106 HydrophobicContact CE1-CB 4.14Å; Y55-L106 HydrophobicContact CE1-CD1 4.11Å; Y55-L106 HydrophobicContact CE1-CG 4.3Å; Y55-L106 HydrophobicContact CE2-CD1 4.2Å; Y55-L106 HydrophobicContact CE2-CG 4.29Å; Y55-L106 PolarHBondContact OH-N 3.09Å; F86-L106 HydrophobicContact CD1-CD1 4.42Å; F86-L106 HydrophobicContact CD1-CD2 3.91Å; F86-L106 HydrophobicContact CE1-CD1 3.81Å; F86-L106 HydrophobicContact CE1-CD2 4.14Å; V92-L106 HydrophobicContact CG1-CD2 4.1Å; L100-L106 HydrophobicContact CD2-CD1 4.11Å; E104-L106 PolarHBondContact O-N 2.95Å; L106-I108 HydrophobicContact CB-CD1 4.02Å; L106-I108 HydrophobicContact CB-CG1 4.02Å; L106-I108 HydrophobicContact CD1-CD1 4.19Å; L106-I108 PolarHBondContact O-N 3.27Å
107	P	93.4	Very high	92.2	Very high	96 Å²	96	66.9 Å²	66.9	62%	0.623	35%	0.353	S	S	*	.	S	Bend	trans	-74.5	58.6	179.6	32.7	-36.5	0	0	0	111.6	V85	V85-P107 HydrophobicContact CB-CG 4.4Å; V85-P107 HydrophobicContact CG1-CG 4.24Å; V85-P107 VanDerWaalsContact O-CD 3.27Å; V85-P107 WeakPolarHBondContact O-CD 3.49Å
108	I	90.2	Very high	92.3	Very high	24 Å²	24	63.8 Å²	63.8	12%	0.123	34%	0.339	C	S	.	.			trans	-116.8	123.5	177.6	-53.4	176.8	0	0	0	106.2	Y55 L106 A112 F114 I135	Y55-I108 HydrophobicContact CD1-CD1 4.36Å; Y55-I108 HydrophobicContact CE1-CD1 4.26Å; L106-I108 HydrophobicContact CB-CD1 4.02Å; L106-I108 HydrophobicContact CB-CG1 4.02Å; L106-I108 HydrophobicContact CD1-CD1 4.19Å; L106-I108 PolarHBondContact O-N 3.27Å; I108-A112 HydrophobicContact CG2-CB 4.43Å; I108-A112 WeakPolarHBondContact CG2-O 3.3Å; I108-F114 HydrophobicContact CD1-CB 3.66Å; I108-F114 HydrophobicContact CG1-CB 4Å; I108-I135 HydrophobicContact CD1-CB 4.35Å; I108-I135 HydrophobicContact CD1-CG2 4.01Å
109	K	84.9	Confident	92.1	Very high	175 Å²	175	68.2 Å²	68.2	76%	0.761	36%	0.359	S	S	*	.			trans	-62.3	152.7	179.4	-66	-177.9	179.7	-179.7	0	110.9	N111 A112	K109-N111 PolarHBondContact O-N 3.48Å; K109-A112 HydrophobicContact CB-CB 3.95Å; K109-A112 WeakPolarHBondContact O-CB 3.25Å; K109-A112 PolarHBondContact O-N 3.39Å; K109-A112 VanDerWaalsContact O-N 3.08Å
110	E	82.2	Confident	91.9	Very high	140 Å²	140	67 Å²	67	65%	0.654	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	133.8	170.2	-139.3	111.9	-131.3	0	0	109.5	A112 K137	E110-A112 PolarHBondContact O-N 3.36Å; E110-A112 VanDerWaalsContact O-N 3.13Å; E110-K137 IonicContact OE1-NZ 3.64Å; E110-K137 PolarHBondContact OE1-NZ 3.14Å
111	N	82	Confident	91.4	Very high	172 Å²	172	71 Å²	71	92%	0.92	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	9.9	-176.6	-53.1	-34.8	0	0	0	116.7	K109	K109-N111 PolarHBondContact O-N 3.48Å
112	A	91.4	Very high	90.9	Very high	38 Å²	38	71.3 Å²	71.3	31%	0.314	37%	0.373	S	S	.	.			trans	-98.2	157	170.1	0	0	0	0	0	111.5	I108 K109 E110	I108-A112 HydrophobicContact CG2-CB 4.43Å; I108-A112 WeakPolarHBondContact CG2-O 3.3Å; K109-A112 HydrophobicContact CB-CB 3.95Å; K109-A112 WeakPolarHBondContact O-CB 3.25Å; K109-A112 PolarHBondContact O-N 3.39Å; K109-A112 VanDerWaalsContact O-N 3.08Å; E110-A112 PolarHBondContact O-N 3.36Å; E110-A112 VanDerWaalsContact O-N 3.13Å
113	A	91.8	Very high	90.1	Very high	45 Å²	45	75.4 Å²	75.4	37%	0.372	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.9	166.3	0	0	0	0	0	109.7	E115 I135 R136	A113-E115 HydrophobicContact CB-CG 4.22Å; A113-I135 CarbonylContact C-O 3.59Å; A113-I135 WeakPolarHBondContact CA-O 3.32Å; A113-R136 HydrophobicContact CB-CB 4.46Å
114	F	95.2	Very high	89.4	Confident	36 Å²	36	77 Å²	77	16%	0.158	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.7	160.5	171.1	-97.9	0	0	0	108.1	L78 N82 V85 I108 S134 I135	L78-F114 HydrophobicContact CD1-CE1 4.2Å; L78-F114 HydrophobicContact CD2-CE1 4.15Å; L78-F114 HydrophobicContact CG-CE1 4.4Å; N82-F114 HydrophobicContact CB-CZ 4.28Å; V85-F114 HydrophobicContact CG1-CD2 4.48Å; V85-F114 HydrophobicContact CG2-CD2 4.07Å; V85-F114 HydrophobicContact CG2-CE2 3.72Å; V85-F114 HydrophobicContact CG2-CZ 4.35Å; I108-F114 HydrophobicContact CD1-CB 3.66Å; I108-F114 HydrophobicContact CG1-CB 4Å; F114-S134 CarbonylContact O-C 3.59Å; F114-S134 WeakPolarHBondContact O-CA 3.45Å; F114-I135 HydrophobicContact CB-CB 4.35Å; F114-I135 HydrophobicContact CD1-CD1 4.08Å; F114-I135 HydrophobicContact CD1-CG1 4.37Å; F114-I135 PolarHBondContact N-O 3.49Å; F114-I135 PolarHBondContact O-N 2.73Å
115	E	95	Very high	88.8	Confident	148 Å²	148	73 Å²	73	69%	0.692	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.3	178	-62.9	-171.1	164.9	0	0	110.6	A113 V133	A113-E115 HydrophobicContact CB-CG 4.22Å; E115-V133 WeakPolarHBondContact CA-O 3.48Å
116	S	94.2	Very high	87.9	Confident	19 Å²	19	73 Å²	73	13%	0.133	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	137.9	173.6	-179.4	0	0	0	0	110	L78 V133	L78-S116 VanDerWaalsContact CD1-CB 3.5Å; L78-S116 WeakPolarHBondContact CD1-OG 3.21Å; S116-V133 PolarHBondContact N-O 3.23Å; S116-V133 PolarHBondContact O-N 3.14Å
117	E	93.6	Very high	87.2	Confident	102 Å²	102	79.7 Å²	79.7	48%	0.477	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.8	169	-60.6	-172.7	150.8	0	0	109.4	V131 K132	E117-V131 WeakPolarHBondContact CA-O 3.48Å; E117-K132 HydrophobicContact CG-CG 4.16Å; E117-K132 WeakPolarHBondContact OE1-CD 3.03Å; E117-K132 WeakPolarHBondContact OE1-CE 3.46Å; E117-K132 IonicContact OE1-NZ 3.15Å; E117-K132 PolarHBondContact OE1-NZ 3.35Å
118	M	92.5	Very high	86.9	Confident	16 Å²	16	79 Å²	79	8%	0.079	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	141.4	175.7	49.8	167.8	36.4	0	0	112.6	I74 K77 L78 K81 V120 V131	I74-M118 HydrophobicContact CG2-SD 3.89Å; K77-M118 HydrophobicContact CB-CE 4.48Å; L78-M118 HydrophobicContact CB-CE 4.01Å; L78-M118 HydrophobicContact CB-SD 4.37Å; L78-M118 HydrophobicContact CD1-CE 4.04Å; K81-M118 HydrophobicContact CD-CE 4.31Å; M118-V120 HydrophobicContact CB-CG2 4.12Å; M118-V120 HydrophobicContact CG-CG2 3.62Å; M118-V120 HydrophobicContact SD-CG2 3.56Å; M118-V120 VanDerWaalsContact SD-CG2 3.56Å; M118-V131 PolarHBondContact N-O 2.72Å; M118-V131 PolarHBondContact O-N 3.03Å
119	N	91.6	Very high	86.9	Confident	122 Å²	122	78.2 Å²	78.2	65%	0.652	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	118.7	167.7	-76.6	-50.2	0	0	0	109.5	P128 I129 E130	N119-P128 HydrophobicContact CB-CB 4.48Å; N119-I129 CarbonylContact C-O 3.57Å; N119-I129 WeakPolarHBondContact CA-O 3.31Å; N119-E130 WeakPolarHBondContact OD1-CA 3.36Å
120	V	89.8	Confident	87.3	Confident	6 Å²	6	74 Å²	74	4%	0.036	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.5	-176.1	-158.6	0	0	0	0	110.1	I74 K77 M118 V122 I129 V131	I74-V120 HydrophobicContact CG1-CB 4.36Å; I74-V120 HydrophobicContact CG1-CG1 4.1Å; I74-V120 HydrophobicContact CG1-CG2 4.28Å; K77-V120 HydrophobicContact CD-CG1 3.67Å; K77-V120 VanDerWaalsContact NZ-CG1 3.32Å; M118-V120 HydrophobicContact CB-CG2 4.12Å; M118-V120 HydrophobicContact CG-CG2 3.62Å; M118-V120 HydrophobicContact SD-CG2 3.56Å; M118-V120 VanDerWaalsContact SD-CG2 3.56Å; V120-V122 PolarHBondContact O-N 3.38Å; V120-I129 PolarHBondContact N-O 3.48Å; V120-I129 WeakPolarHBondContact O-CG1 3.47Å; V120-I129 PolarHBondContact O-N 3.48Å; V120-V131 HydrophobicContact CG2-CG2 4.23Å
121	Q	86.1	Confident	88	Confident	83 Å²	83	67.4 Å²	67.4	39%	0.388	34%	0.344	S	S	.	.			trans	-74.2	116	165.9	-174.3	59.2	55.4	0	0	109.2	S125 P128	Q121-S125 PolarHBondContact NE2-O 3.49Å; Q121-P128 VanDerWaalsContact OE1-N 3.13Å
122	V	85.4	Confident	88.6	Confident	8 Å²	8	64.5 Å²	64.5	5%	0.048	32%	0.324	C	S	.	.			trans	-104	152.8	172.4	-63.1	0	0	0	0	110.3	L66 I74 V120 R124 S125 I129	L66-V122 HydrophobicContact CD2-CG1 4.2Å; I74-V122 HydrophobicContact CD1-CG1 4.29Å; V120-V122 PolarHBondContact O-N 3.38Å; V122-R124 PolarHBondContact O-N 2.91Å; V122-S125 PolarHBondContact O-N 3.32Å; V122-I129 HydrophobicContact CB-CD1 4.43Å; V122-I129 HydrophobicContact CG1-CD1 3.92Å; V122-I129 HydrophobicContact CG1-CG1 4.23Å; V122-I129 HydrophobicContact CG2-CD1 3.6Å; V122-I129 HydrophobicContact CG2-CG1 4.04Å
123	L	80.3	Confident	88.9	Confident	86 Å²	86	62.8 Å²	62.8	45%	0.45	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.6	-176.7	-69.3	173.1	0	0	0	112.9	Q297	L123-Q297 HydrophobicContact CB-CG 4.33Å; L123-Q297 WeakPolarHBondContact O-CB 3.26Å; L123-Q297 PolarHBondContact O-N 3.36Å
124	R	78.6	Confident	89.1	Confident	94 Å²	94	62.2 Å²	62.2	36%	0.355	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.9	-177.6	-56.4	-163.6	-165	85.9	19.6	114.7	T67 D70 V122	T67-R124 PolarHBondContact OG1-NH1 2.91Å; T67-R124 VanDerWaalsContact OG1-NH1 3.15Å; T67-R124 PolarHBondContact OG1-NH2 2.77Å; D70-R124 IonicContact OD2-CZ 3.67Å; D70-R124 IonicContact OD2-NH1 3.47Å; D70-R124 PolarHBondContact OD2-NH1 2.79Å; D70-R124 IonicContact OD2-NH2 3Å; V122-R124 PolarHBondContact O-N 2.91Å
125	S	79	Confident	89.2	Confident	14 Å²	14	60.5 Å²	60.5	10%	0.098	30%	0.295	C	S	.	.			trans	-119.8	144.5	175.9	-176	0	0	0	0	109.2	Q121 V122 R127 A296	Q121-S125 PolarHBondContact NE2-O 3.49Å; V122-S125 PolarHBondContact O-N 3.32Å; S125-R127 VanDerWaalsContact C-N 3.3Å; S125-R127 VanDerWaalsContact CB-O 3.28Å; S125-R127 WeakPolarHBondContact CB-O 3.46Å; S125-R127 PolarHBondContact OG-N 3.4Å; S125-R127 PolarHBondContact OG-O 3.01Å; S125-A296 WeakPolarHBondContact O-CB 3.45Å
126	N	74.3	Confident	89.3	Confident	92 Å²	92	59.9 Å²	59.9	49%	0.492	29%	0.286	S	S	.	.	S	Bend	trans	-84.4	-8.2	172.3	62.2	-6.4	0	0	0	112.9	A296	N126-A296 HydrophobicContact CB-CB 4.31Å
127	R	80.3	Confident	89.3	Confident	158 Å²	158	63 Å²	63	60%	0.596	30%	0.298	S	S	*	.	S	Bend	trans	-132.8	155	179.3	-66.3	177.6	180	-174	-3.8	110.1	S125 I129	S125-R127 VanDerWaalsContact C-N 3.3Å; S125-R127 VanDerWaalsContact CB-O 3.28Å; S125-R127 WeakPolarHBondContact CB-O 3.46Å; S125-R127 PolarHBondContact OG-N 3.4Å; S125-R127 PolarHBondContact OG-O 3.01Å; R127-I129 PolarHBondContact O-N 3.35Å
128	P	86.3	Confident	89.2	Confident	82 Å²	82	60.7 Å²	60.7	53%	0.532	29%	0.293	S	S	.	.			trans	-54	136.2	166.9	-24.8	34.9	0	0	0	110	N119 Q121	N119-P128 HydrophobicContact CB-CB 4.48Å; Q121-P128 VanDerWaalsContact OE1-N 3.13Å
129	I	90.8	Very high	89.2	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	147	174.2	60.2	171.6	0	0	0	109	V64 L66 N119 V120 V122 R127 V131	V64-I129 HydrophobicContact CB-CD1 3.91Å; V64-I129 HydrophobicContact CG2-CD1 4.18Å; V64-I129 HydrophobicContact CG2-CG2 4.01Å; L66-I129 HydrophobicContact CD2-CD1 4.02Å; N119-I129 CarbonylContact C-O 3.57Å; N119-I129 WeakPolarHBondContact CA-O 3.31Å; V120-I129 PolarHBondContact N-O 3.48Å; V120-I129 WeakPolarHBondContact O-CG1 3.47Å; V120-I129 PolarHBondContact O-N 3.48Å; V122-I129 HydrophobicContact CB-CD1 4.43Å; V122-I129 HydrophobicContact CG1-CD1 3.92Å; V122-I129 HydrophobicContact CG1-CG1 4.23Å; V122-I129 HydrophobicContact CG2-CD1 3.6Å; V122-I129 HydrophobicContact CG2-CG1 4.04Å; R127-I129 PolarHBondContact O-N 3.35Å; I129-V131 HydrophobicContact CD1-CG2 4.19Å; I129-V131 HydrophobicContact CG1-CG2 4.02Å
130	E	93.7	Very high	89.1	Confident	88 Å²	88	58.1 Å²	58.1	41%	0.411	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	134	169.4	-173.2	167.8	-141.2	0	0	109.3	S61 N119	S61-E130 WeakPolarHBondContact CB-O 3.42Å; S61-E130 PolarHBondContact OG-O 2.79Å; N119-E130 WeakPolarHBondContact OD1-CA 3.36Å
131	V	95.5	Very high	89.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.7	179.3	-174.8	0	0	0	0	107.8	I59 G60 L66 I74 E117 M118 V120 I129 V133	I59-V131 HydrophobicContact CG2-CG1 3.53Å; G60-V131 WeakPolarHBondContact O-CA 3.48Å; G60-V131 WeakPolarHBondContact O-CG1 3.34Å; L66-V131 HydrophobicContact CD1-CG1 4.13Å; I74-V131 HydrophobicContact CD1-CG1 4.23Å; I74-V131 HydrophobicContact CD1-CG2 4.1Å; I74-V131 HydrophobicContact CG2-CG1 4.13Å; E117-V131 WeakPolarHBondContact CA-O 3.48Å; M118-V131 PolarHBondContact N-O 2.72Å; M118-V131 PolarHBondContact O-N 3.03Å; V120-V131 HydrophobicContact CG2-CG2 4.23Å; I129-V131 HydrophobicContact CD1-CG2 4.19Å; I129-V131 HydrophobicContact CG1-CG2 4.02Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å
132	K	96.2	Very high	89.3	Confident	112 Å²	112	59.8 Å²	59.8	49%	0.487	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.8	172.6	-54.4	-165.1	-179.4	-154.9	0	108.9	I59 G60 E117	I59-K132 WeakPolarHBondContact CA-O 3.42Å; G60-K132 PolarHBondContact N-O 2.99Å; G60-K132 VanDerWaalsContact N-O 3.08Å; G60-K132 PolarHBondContact O-N 3.16Å; E117-K132 HydrophobicContact CG-CG 4.16Å; E117-K132 WeakPolarHBondContact OE1-CD 3.03Å; E117-K132 WeakPolarHBondContact OE1-CE 3.46Å; E117-K132 IonicContact OE1-NZ 3.15Å; E117-K132 PolarHBondContact OE1-NZ 3.35Å
133	V	96.8	Very high	89.4	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.2	175.7	-173.6	0	0	0	0	109.3	V57 D58 I59 I74 L78 E115 S116 V131 I135	V57-V133 HydrophobicContact CG1-CG1 4.43Å; D58-V133 VanDerWaalsContact O-CA 3.3Å; D58-V133 WeakPolarHBondContact O-CA 3.21Å; I59-V133 HydrophobicContact CG1-CG1 3.98Å; I59-V133 HydrophobicContact CG1-CG2 4.18Å; I59-V133 HydrophobicContact CG2-CG2 4.26Å; I74-V133 HydrophobicContact CG2-CG2 4.16Å; L78-V133 HydrophobicContact CD2-CB 4.12Å; L78-V133 HydrophobicContact CD2-CG1 3.63Å; L78-V133 HydrophobicContact CD2-CG2 4.41Å; E115-V133 WeakPolarHBondContact CA-O 3.48Å; S116-V133 PolarHBondContact N-O 3.23Å; S116-V133 PolarHBondContact O-N 3.14Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å; V133-I135 HydrophobicContact CG1-CG1 4.24Å
134	S	96.8	Very high	89.7	Confident	32 Å²	32	57.7 Å²	57.7	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.9	173.6	-176.3	0	0	0	0	109.8	V57 D58 F114	V57-S134 WeakPolarHBondContact CA-O 3.34Å; D58-S134 PolarHBondContact N-O 3.28Å; D58-S134 PolarHBondContact O-N 3.26Å; F114-S134 CarbonylContact O-C 3.59Å; F114-S134 WeakPolarHBondContact O-CA 3.45Å
135	I	97.3	Very high	89.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.7	177.3	-54.3	177.6	0	0	0	108.6	Y55 H56 V57 F75 L78 F86 L100 I108 A113 F114 V133	Y55-I135 HydrophobicContact CD1-CG2 4.02Å; Y55-I135 HydrophobicContact CG-CG2 4.12Å; H56-I135 WeakPolarHBondContact O-CA 3.38Å; V57-I135 HydrophobicContact CG1-CG1 4.31Å; V57-I135 HydrophobicContact CG2-CG1 4.24Å; V57-I135 HydrophobicContact CG2-CG2 4.39Å; F75-I135 HydrophobicContact CE2-CD1 4.33Å; L78-I135 HydrophobicContact CD2-CD1 4.16Å; F86-I135 HydrophobicContact CZ-CD1 3.78Å; L100-I135 HydrophobicContact CD2-CD1 4.34Å; L100-I135 HydrophobicContact CD2-CG2 3.92Å; I108-I135 HydrophobicContact CD1-CB 4.35Å; I108-I135 HydrophobicContact CD1-CG2 4.01Å; A113-I135 CarbonylContact C-O 3.59Å; A113-I135 WeakPolarHBondContact CA-O 3.32Å; F114-I135 HydrophobicContact CB-CB 4.35Å; F114-I135 HydrophobicContact CD1-CD1 4.08Å; F114-I135 HydrophobicContact CD1-CG1 4.37Å; F114-I135 PolarHBondContact N-O 3.49Å; F114-I135 PolarHBondContact O-N 2.73Å; V133-I135 HydrophobicContact CG1-CG1 4.24Å
136	R	95.5	Very high	89.7	Confident	136 Å²	136	60 Å²	60	51%	0.513	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.5	179.5	62.2	-175.4	178.7	-162.9	-3.9	111	Y55 H56 A113 S138	Y55-R136 CarbonylContact C-O 3.55Å; Y55-R136 WeakPolarHBondContact CA-O 3.24Å; Y55-R136 WeakPolarHBondContact CB-O 3.32Å; H56-R136 HydrophobicContact CB-CG 3.84Å; H56-R136 PolarHBondContact CD2-NE 3.31Å; H56-R136 PolarHBondContact CD2-NH2 2.64Å; H56-R136 PolarHBondContact N-O 3.21Å; H56-R136 PolarHBondContact NE2-NH2 2.81Å; H56-R136 PolarHBondContact O-N 3.37Å; A113-R136 HydrophobicContact CB-CB 4.46Å; R136-S138 PolarHBondContact O-N 2.84Å
137	K	94.9	Very high	89	Confident	85 Å²	85	60.8 Å²	60.8	37%	0.37	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	130.6	172.8	-174.8	-177	175.9	-169.1	0	108.4	V53 Y55 E110	V53-K137 HydrophobicContact CG1-CD 4.36Å; V53-K137 HydrophobicContact CG1-CG 4.06Å; Y55-K137 HydrophobicContact CD1-CB 4.03Å; Y55-K137 HydrophobicContact CE1-CB 4.01Å; Y55-K137 HydrophobicContact CE1-CG 4.35Å; E110-K137 IonicContact OE1-NZ 3.64Å; E110-K137 PolarHBondContact OE1-NZ 3.14Å
138	S	92.2	Very high	87.3	Confident	53 Å²	53	60.5 Å²	60.5	37%	0.371	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-12.3	-177.4	67.1	0	0	0	0	113.9	Q54 R136	Q54-S138 WeakPolarHBondContact CG-OG 3.5Å; Q54-S138 PolarHBondContact NE2-OG 3.39Å; Q54-S138 VanDerWaalsContact NE2-OG 3.11Å; Q54-S138 PolarHBondContact O-N 2.81Å; Q54-S138 PolarHBondContact O-OG 2.91Å; R136-S138 PolarHBondContact O-N 2.84Å
139	G	91.5	Very high	85.3	Confident	30 Å²	30	64 Å²	64	31%	0.309	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164	-165.1	179	0	0	0	0	0	112.9	Q54	Q54-G139 PolarHBondContact N-O 3.33Å; Q54-G139 PolarHBondContact O-N 3.03Å
140	S	91.1	Very high	82.6	Confident	53 Å²	53	69.5 Å²	69.5	37%	0.371	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.5	166.9	67.3	0	0	0	0	110.2	E51 V52	E51-S140 VanDerWaalsContact OE1-CB 3.31Å; E51-S140 WeakPolarHBondContact OE1-CB 3.36Å; E51-S140 PolarHBondContact OE1-OG 2.88Å; V52-S140 CarbonylContact O-C 3.48Å; V52-S140 VanDerWaalsContact O-CA 3.29Å; V52-S140 WeakPolarHBondContact O-CA 3.26Å; V52-S140 WeakPolarHBondContact O-CB 3.44Å
141	V	90.5	Very high	79.6	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.055	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.8	177.2	-175.7	0	0	0	0	108.3	V52 F101 L143 Q160 P162 V165	V52-V141 HydrophobicContact CG2-CB 3.94Å; V52-V141 WeakPolarHBondContact CG2-O 3.4Å; V52-V141 PolarHBondContact N-O 3.12Å; V52-V141 PolarHBondContact O-N 2.92Å; F101-V141 HydrophobicContact CE1-CG2 4.35Å; V141-L143 HydrophobicContact CG1-CD2 4.38Å; V141-Q160 HydrophobicContact CG2-CB 4.46Å; V141-P162 HydrophobicContact CG1-CG 4.4Å; V141-V165 HydrophobicContact CB-CG2 4.24Å; V141-V165 HydrophobicContact CG1-CG2 3.96Å; V141-V165 HydrophobicContact CG2-CG2 4.34Å
142	K	88.9	Confident	76.3	Confident	115 Å²	115	73.7 Å²	73.7	50%	0.5	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.4	169.6	-68.2	177.6	-178.8	174.2	0	108.2	V49 E51 I144 P162	V49-K142 HydrophobicContact CG1-CB 4.11Å; V49-K142 HydrophobicContact CG1-CD 4.47Å; V49-K142 HydrophobicContact CG1-CG 4.3Å; E51-K142 HydrophobicContact CB-CG 4.14Å; E51-K142 HydrophobicContact CG-CG 3.88Å; E51-K142 WeakPolarHBondContact OE2-CE 3.36Å; K142-I144 HydrophobicContact CB-CD1 4.07Å; K142-I144 HydrophobicContact CB-CG1 4.12Å; K142-I144 HydrophobicContact CD-CD1 4.47Å; K142-I144 PolarHBondContact O-N 2.72Å; K142-P162 WeakPolarHBondContact O-CG 3.43Å
143	L	87.5	Confident	73.2	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	41%	0.413	C	S	.	.			trans	-76	61.4	179	-56.2	-171.9	0	0	0	111	K44 I50 V52 V141 F145 P162 V165	K44-L143 PolarHBondContact NZ-O 2.89Å; I50-L143 HydrophobicContact CB-CB 4.28Å; I50-L143 HydrophobicContact CB-CD1 4.16Å; I50-L143 HydrophobicContact CB-CG 4.36Å; I50-L143 HydrophobicContact CG2-CD1 3.73Å; I50-L143 HydrophobicContact CG2-CG 4.2Å; I50-L143 WeakPolarHBondContact O-CB 3.4Å; I50-L143 PolarHBondContact O-N 2.81Å; V52-L143 HydrophobicContact CG2-CD2 4.34Å; V141-L143 HydrophobicContact CG1-CD2 4.38Å; L143-F145 HydrophobicContact CB-CZ 4.44Å; L143-P162 HydrophobicContact CD2-CB 4.23Å; L143-V165 HydrophobicContact CD2-CB 3.94Å; L143-V165 HydrophobicContact CD2-CG1 4.14Å; L143-V165 HydrophobicContact CD2-CG2 4.28Å
144	I	85.2	Confident	70.1	Confident	50 Å²	50	77.8 Å²	77.8	26%	0.256	44%	0.442	S	S	.	.			trans	-105	114	176.5	-59	174.1	0	0	0	107.1	V49 K142 K146 P162	V49-I144 HydrophobicContact CG1-CD1 3.92Å; V49-I144 HydrophobicContact CG1-CG1 3.84Å; V49-I144 HydrophobicContact CG2-CD1 4.31Å; V49-I144 HydrophobicContact CG2-CG1 4.5Å; K142-I144 HydrophobicContact CB-CD1 4.07Å; K142-I144 HydrophobicContact CB-CG1 4.12Å; K142-I144 HydrophobicContact CD-CD1 4.47Å; K142-I144 PolarHBondContact O-N 2.72Å; I144-K146 WeakPolarHBondContact CG2-O 3.46Å; I144-P162 WeakPolarHBondContact O-CG 3.31Å
145	F	81.9	Confident	67.3	Low	26 Å²	26	79.9 Å²	79.9	11%	0.114	46%	0.456	C	S	.	.			trans	-87.3	-15	-174.8	-56	-68.4	0	0	0	113.5	L143 P162 I163 V166 V219 Y223 P225	L143-F145 HydrophobicContact CB-CZ 4.44Å; F145-P162 HydrophobicContact CD1-CB 3.79Å; F145-P162 HydrophobicContact CE1-CB 3.66Å; F145-I163 HydrophobicContact CD1-CD1 4.5Å; F145-I163 HydrophobicContact CE1-CD1 4.14Å; F145-V166 HydrophobicContact CE1-CG2 4.26Å; F145-V166 HydrophobicContact CZ-CG2 4.01Å; F145-V219 HydrophobicContact CB-CG1 4.27Å; F145-V219 HydrophobicContact CB-CG2 4.16Å; F145-V219 HydrophobicContact CD1-CG2 3.92Å; F145-V219 HydrophobicContact CG-CG2 4.33Å; F145-Y223 WeakPolarHBondContact O-CD1 3.43Å; F145-P225 HydrophobicContact CD1-CB 4.49Å; F145-P225 HydrophobicContact CD2-CB 3.78Å; F145-P225 HydrophobicContact CD2-CG 3.7Å; F145-P225 HydrophobicContact CE1-CB 4.36Å; F145-P225 HydrophobicContact CE2-CB 3.62Å; F145-P225 HydrophobicContact CE2-CG 3.61Å; F145-P225 HydrophobicContact CG-CB 4.22Å; F145-P225 HydrophobicContact CZ-CB 3.94Å; F145-P225 HydrophobicContact CZ-CG 4.39Å
146	K	77.7	Confident	64.6	Low	131 Å²	131	85.7 Å²	85.7	57%	0.57	49%	0.494	S	S	*	.	S	Bend	trans	-82.2	118.2	171.5	-175.2	169.8	-175.2	-177.9	0	108.4	I144 Q148 Y223	I144-K146 WeakPolarHBondContact CG2-O 3.46Å; K146-Q148 PolarHBondContact O-N 3.49Å; K146-Q148 VanDerWaalsContact O-N 3.11Å; K146-Y223 HydrophobicContact CB-CD1 4.24Å; K146-Y223 HydrophobicContact CB-CD2 4.06Å; K146-Y223 HydrophobicContact CB-CE2 4.42Å; K146-Y223 HydrophobicContact CB-CG 3.91Å; K146-Y223 HydrophobicContact CD-CD2 4.13Å; K146-Y223 HydrophobicContact CD-CE2 4.13Å; K146-Y223 HydrophobicContact CG-CD1 4.42Å; K146-Y223 HydrophobicContact CG-CD2 3.77Å; K146-Y223 HydrophobicContact CG-CE1 4.35Å; K146-Y223 HydrophobicContact CG-CE2 3.7Å; K146-Y223 HydrophobicContact CG-CG 4.09Å
147	D	59.4	Low	61.8	Low	108 Å²	108	86.6 Å²	86.6	58%	0.578	51%	0.509	S	S	*	.			trans	-64.9	113.2	178.8	-151.7	-10.9	0	0	0	108.4
148	Q	44.6	Very low	59.3	Low	153 Å²	153	85.7 Å²	85.7	72%	0.715	51%	0.513	S	S	*	.			trans	-79.2	-22.3	-171	-87.2	-166.6	3.1	0	0	113.2	K146	K146-Q148 PolarHBondContact O-N 3.49Å; K146-Q148 VanDerWaalsContact O-N 3.11Å
149	K	43	Very low	57.5	Low	154 Å²	154	89.3 Å²	89.3	67%	0.67	53%	0.525	S	S	*	.			trans	-158.4	105.4	176.2	-68.6	-170.6	-179.3	174.8	0	112.4	G151	K149-G151 PolarHBondContact O-N 3.18Å
150	S	35.3	Very low	56	Low	122 Å²	122	90.5 Å²	90.5	85%	0.853	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	38.7	154.4	38.5	0	0	0	0	112.7
151	G	30	Very low	55.4	Low	64 Å²	64	90.1 Å²	90.1	66%	0.66	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.4	-9.4	-166.1	0	0	0	0	0	119.5	K149	K149-G151 PolarHBondContact O-N 3.18Å
152	V	26.6	Very low	55.3	Low	113 Å²	113	91 Å²	91	69%	0.685	53%	0.526	S	S	*	.	S	Bend	trans	-144.8	128.3	175.6	-170.8	0	0	0	0	109.6	L154	V152-L154 PolarHBondContact O-N 2.89Å
153	G	30.6	Very low	55.2	Low	83 Å²	83	87.2 Å²	87.2	86%	0.856	51%	0.51	S	S	*	.			trans	-54.1	103.8	-165.7	0	0	0	0	0	115.6
154	L	32.6	Very low	55.2	Low	116 Å²	116	91.4 Å²	91.4	61%	0.607	53%	0.53	S	S	*	.			trans	-77	126.6	157.8	-75.6	160.5	0	0	0	108.4	V152 E159	V152-L154 PolarHBondContact O-N 2.89Å; L154-E159 WeakPolarHBondContact CD2-OE2 3.05Å
155	S	36.1	Very low	55.6	Low	76 Å²	76	89 Å²	89	53%	0.531	52%	0.518	S	S	.	.			trans	-57.3	128.3	171.4	57.8	0	0	0	0	109.3	D157	S155-D157 PolarHBondContact O-N 3.08Å
156	P	41.5	Very low	56.1	Low	123 Å²	123	87.8 Å²	87.8	80%	0.799	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.3	-177.5	-22.4	31.8	0	0	0	115.4
157	D	36.2	Very low	56.8	Low	154 Å²	154	83.3 Å²	83.3	82%	0.824	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	8.9	-156.5	-69	-30.5	0	0	0	116.3	S155	S155-D157 PolarHBondContact O-N 3.08Å
158	S	43.6	Very low	58.5	Low	66 Å²	66	79.2 Å²	79.2	46%	0.462	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.3	-18	-179.8	67.4	0	0	0	0	119.5
159	E	52.7	Low	60.8	Low	129 Å²	129	72 Å²	72	60%	0.603	44%	0.439	S	S	*	.			trans	-98.6	108.7	-177.2	-68.5	-173	177.2	0	0	111.9	L154	L154-E159 WeakPolarHBondContact CD2-OE2 3.05Å
160	Q	61.6	Low	63.2	Low	56 Å²	56	64.7 Å²	64.7	26%	0.262	41%	0.408	S	S	.	.			trans	-63.6	139.5	170	-68.6	-69.6	-45.3	0	0	109.8	L99 F101 V141 Q164	L99-Q160 HydrophobicContact CD1-CG 3.98Å; F101-Q160 HydrophobicContact CE1-CB 4.47Å; F101-Q160 HydrophobicContact CZ-CB 4.26Å; F101-Q160 HydrophobicContact CZ-CG 4.14Å; V141-Q160 HydrophobicContact CG2-CB 4.46Å; Q160-Q164 VanDerWaalsContact OE1-OE1 3.11Å
161	S	78.4	Confident	65.9	Low	44 Å²	44	59.9 Å²	59.9	31%	0.308	38%	0.375	S	S	.	.			trans	-65.9	143.9	177.4	66.6	0	0	0	0	110.5	I163 Q164 V165	S161-I163 PolarHBondContact O-N 3.12Å; S161-Q164 WeakPolarHBondContact O-CB 3.39Å; S161-Q164 PolarHBondContact O-N 3.35Å; S161-Q164 VanDerWaalsContact OG-CG 3.27Å; S161-Q164 WeakPolarHBondContact OG-CG 3.5Å; S161-Q164 PolarHBondContact OG-N 2.79Å; S161-Q164 PolarHBondContact OG-OE1 2.89Å; S161-V165 PolarHBondContact O-N 2.85Å
162	P	87.1	Confident	68.9	Low	29 Å²	29	57 Å²	57	19%	0.188	35%	0.345	C	S	.	.	H	α-helix	trans	-48.2	-34.4	175.5	-34.7	39.4	0	0	0	114.2	V141 K142 L143 I144 F145 V165 V166	V141-P162 HydrophobicContact CG1-CG 4.4Å; K142-P162 WeakPolarHBondContact O-CG 3.43Å; L143-P162 HydrophobicContact CD2-CB 4.23Å; I144-P162 WeakPolarHBondContact O-CG 3.31Å; F145-P162 HydrophobicContact CD1-CB 3.79Å; F145-P162 HydrophobicContact CE1-CB 3.66Å; P162-V165 PolarHBondContact O-N 2.71Å; P162-V166 WeakPolarHBondContact O-CG2 3.36Å; P162-V166 PolarHBondContact O-N 3.24Å
163	I	87.3	Confident	71.9	Confident	35 Å²	35	51.6 Å²	51.6	18%	0.179	31%	0.312	C	S	.	.	H	α-helix	trans	-74.6	-32.4	-177.5	-153.8	64.4	0	0	0	112.9	F145 S161 V165 V166 D167 A217 V219	F145-I163 HydrophobicContact CD1-CD1 4.5Å; F145-I163 HydrophobicContact CE1-CD1 4.14Å; S161-I163 PolarHBondContact O-N 3.12Å; I163-V165 VanDerWaalsContact C-N 3.32Å; I163-V166 PolarHBondContact O-N 2.81Å; I163-D167 PolarHBondContact O-N 2.83Å; I163-A217 HydrophobicContact CD1-CB 3.5Å; I163-A217 VanDerWaalsContact CD1-CB 3.5Å; I163-A217 VanDerWaalsContact CG1-C 3.46Å; I163-A217 HydrophobicContact CG1-CB 3.7Å; I163-A217 WeakPolarHBondContact CG1-O 3.49Å; I163-V219 HydrophobicContact CB-CG2 4.46Å; I163-V219 HydrophobicContact CD1-CG2 3.87Å; I163-V219 HydrophobicContact CG1-CG2 4.27Å
164	Q	88.7	Confident	74.7	Confident	88 Å²	88	48.1 Å²	48.1	41%	0.411	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-38.7	172.8	-76.2	162.9	-38.9	0	0	111.1	Q160 S161 V166 D167 V168	Q160-Q164 VanDerWaalsContact OE1-OE1 3.11Å; S161-Q164 WeakPolarHBondContact O-CB 3.39Å; S161-Q164 PolarHBondContact O-N 3.35Å; S161-Q164 VanDerWaalsContact OG-CG 3.27Å; S161-Q164 WeakPolarHBondContact OG-CG 3.5Å; S161-Q164 PolarHBondContact OG-N 2.79Å; S161-Q164 PolarHBondContact OG-OE1 2.89Å; Q164-V166 VanDerWaalsContact C-N 3.34Å; Q164-V166 PolarHBondContact O-N 2.77Å; Q164-D167 WeakPolarHBondContact O-CB 3.34Å; Q164-D167 PolarHBondContact O-N 3.28Å; Q164-V168 WeakPolarHBondContact O-CG2 3.49Å; Q164-V168 PolarHBondContact O-N 3.49Å
165	V	92.9	Very high	77.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-45.1	175.4	-172.5	0	0	0	0	110.6	V52 F101 V141 L143 S161 P162 I163 D167 V168 I169	V52-V165 HydrophobicContact CG2-CG1 3.87Å; F101-V165 HydrophobicContact CB-CG1 4.15Å; F101-V165 HydrophobicContact CD1-CG1 3.92Å; F101-V165 HydrophobicContact CD1-CG2 4.08Å; F101-V165 HydrophobicContact CD2-CG1 3.97Å; F101-V165 HydrophobicContact CE1-CG1 4.31Å; F101-V165 HydrophobicContact CE1-CG2 3.68Å; F101-V165 HydrophobicContact CE2-CG1 4.38Å; F101-V165 HydrophobicContact CE2-CG2 4.37Å; F101-V165 HydrophobicContact CG-CG1 3.72Å; F101-V165 HydrophobicContact CZ-CG2 3.84Å; V141-V165 HydrophobicContact CB-CG2 4.24Å; V141-V165 HydrophobicContact CG1-CG2 3.96Å; V141-V165 HydrophobicContact CG2-CG2 4.34Å; L143-V165 HydrophobicContact CD2-CB 3.94Å; L143-V165 HydrophobicContact CD2-CG1 4.14Å; L143-V165 HydrophobicContact CD2-CG2 4.28Å; S161-V165 PolarHBondContact O-N 2.85Å; P162-V165 PolarHBondContact O-N 2.71Å; I163-V165 VanDerWaalsContact C-N 3.32Å; V165-D167 VanDerWaalsContact C-N 3.32Å; V165-D167 PolarHBondContact O-N 3.37Å; V165-V168 PolarHBondContact O-N 2.88Å; V165-I169 HydrophobicContact CG1-CD1 3.93Å; V165-I169 HydrophobicContact CG1-CG1 4.47Å; V165-I169 WeakPolarHBondContact O-CG1 3.36Å; V165-I169 PolarHBondContact O-N 3.47Å
166	V	93.1	Very high	80.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-41.3	176.1	176.5	0	0	0	0	111.5	L42 F145 P162 I163 Q164 V168 I169 L170 A217 L413	L42-V166 HydrophobicContact CD1-CG1 4.47Å; L42-V166 HydrophobicContact CD2-CG1 3.73Å; L42-V166 HydrophobicContact CD2-CG2 4.11Å; F145-V166 HydrophobicContact CE1-CG2 4.26Å; F145-V166 HydrophobicContact CZ-CG2 4.01Å; P162-V166 WeakPolarHBondContact O-CG2 3.36Å; P162-V166 PolarHBondContact O-N 3.24Å; I163-V166 PolarHBondContact O-N 2.81Å; Q164-V166 VanDerWaalsContact C-N 3.34Å; Q164-V166 PolarHBondContact O-N 2.77Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V166-V168 PolarHBondContact O-N 2.8Å; V166-I169 PolarHBondContact O-N 2.72Å; V166-L170 HydrophobicContact CG1-CD1 3.79Å; V166-L170 HydrophobicContact CG1-CG 4.18Å; V166-L170 WeakPolarHBondContact O-CB 3.44Å; V166-L170 WeakPolarHBondContact O-CG 3.42Å; V166-L170 PolarHBondContact O-N 2.93Å; V166-A217 HydrophobicContact CB-CB 3.99Å; V166-A217 HydrophobicContact CG1-CB 3.64Å; V166-L413 HydrophobicContact CG2-CD1 4.37Å
167	D	92.3	Very high	82.4	Confident	37 Å²	37	37.6 Å²	37.6	20%	0.198	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-42.5	175	-98.1	-13.8	0	0	0	112.1	I163 Q164 V165 A171 S216 A217	I163-D167 PolarHBondContact O-N 2.83Å; Q164-D167 WeakPolarHBondContact O-CB 3.34Å; Q164-D167 PolarHBondContact O-N 3.28Å; V165-D167 VanDerWaalsContact C-N 3.32Å; V165-D167 PolarHBondContact O-N 3.37Å; D167-A171 PolarHBondContact O-N 3.16Å; D167-S216 WeakPolarHBondContact OD1-CA 3.44Å; D167-A217 WeakPolarHBondContact OD1-CB 3.34Å; D167-A217 PolarHBondContact OD1-N 3.45Å
168	V	93.8	Very high	85	Confident	22 Å²	22	32.8 Å²	32.8	13%	0.133	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-43.8	176.4	176.2	0	0	0	0	110.8	A93 D95 F101 Q164 V165 V166 A171 Q172	A93-V168 HydrophobicContact CB-CG1 4.02Å; D95-V168 HydrophobicContact CB-CG1 4.21Å; D95-V168 HydrophobicContact CB-CG2 3.88Å; F101-V168 HydrophobicContact CD2-CB 4.26Å; F101-V168 HydrophobicContact CD2-CG1 4.07Å; F101-V168 HydrophobicContact CE2-CB 4.22Å; F101-V168 HydrophobicContact CE2-CG1 4.32Å; F101-V168 HydrophobicContact CE2-CG2 4.12Å; Q164-V168 WeakPolarHBondContact O-CG2 3.49Å; Q164-V168 PolarHBondContact O-N 3.49Å; V165-V168 PolarHBondContact O-N 2.88Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V166-V168 PolarHBondContact O-N 2.8Å; V168-A171 PolarHBondContact O-N 2.84Å; V168-Q172 WeakPolarHBondContact O-CG 3.39Å; V168-Q172 PolarHBondContact O-NE2 2.71Å
169	I	94.4	Very high	87.3	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-48.8	177.3	-63.6	162	0	0	0	110.6	A93 V165 V166 A171 Q172 F407 L408 F411 L413	A93-I169 HydrophobicContact CB-CG1 3.85Å; V165-I169 HydrophobicContact CG1-CD1 3.93Å; V165-I169 HydrophobicContact CG1-CG1 4.47Å; V165-I169 WeakPolarHBondContact O-CG1 3.36Å; V165-I169 PolarHBondContact O-N 3.47Å; V166-I169 PolarHBondContact O-N 2.72Å; I169-A171 PolarHBondContact O-N 3.05Å; I169-A171 VanDerWaalsContact O-N 3.1Å; I169-Q172 WeakPolarHBondContact O-CB 3.32Å; I169-Q172 WeakPolarHBondContact O-CG 3.48Å; I169-Q172 PolarHBondContact O-N 3.41Å; I169-F407 HydrophobicContact CG2-CB 4.18Å; I169-L408 HydrophobicContact CG2-CD2 3.9Å; I169-F411 HydrophobicContact CD1-CB 4.07Å; I169-F411 HydrophobicContact CD1-CD1 3.5Å; I169-F411 VanDerWaalsContact CD1-CD1 3.5Å; I169-F411 HydrophobicContact CD1-CD2 4.38Å; I169-F411 HydrophobicContact CD1-CE1 3.95Å; I169-F411 HydrophobicContact CD1-CG 3.73Å; I169-F411 HydrophobicContact CG1-CD1 4.12Å; I169-F411 HydrophobicContact CG1-CD2 4.31Å; I169-F411 HydrophobicContact CG1-CE1 4.21Å; I169-F411 HydrophobicContact CG1-CE2 4.38Å; I169-F411 HydrophobicContact CG1-CG 4.16Å; I169-F411 HydrophobicContact CG1-CZ 4.33Å; I169-F411 HydrophobicContact CG2-CB 4.44Å; I169-F411 HydrophobicContact CG2-CD2 4.2Å; I169-F411 HydrophobicContact CG2-CG 4.34Å; I169-L413 HydrophobicContact CD1-CD1 4.04Å; I169-L413 HydrophobicContact CG2-CD1 4.41Å
170	L	92.4	Very high	88.9	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-28.4	-179.5	-79.6	167.7	0	0	0	113	V166 R174 A217 V227 L408	V166-L170 HydrophobicContact CG1-CD1 3.79Å; V166-L170 HydrophobicContact CG1-CG 4.18Å; V166-L170 WeakPolarHBondContact O-CB 3.44Å; V166-L170 WeakPolarHBondContact O-CG 3.42Å; V166-L170 PolarHBondContact O-N 2.93Å; L170-R174 PolarHBondContact O-NH1 2.87Å; L170-R174 PolarHBondContact O-NH2 2.82Å; L170-A217 HydrophobicContact CD1-CB 4.08Å; L170-V227 HydrophobicContact CD1-CG1 3.96Å; L170-V227 HydrophobicContact CD1-CG2 3.72Å; L170-V227 HydrophobicContact CD2-CG2 4.37Å; L170-L408 HydrophobicContact CD2-CD1 4.05Å; L170-L408 HydrophobicContact CD2-CD2 3.85Å; L170-L408 HydrophobicContact CD2-CG 4.46Å; L170-L408 HydrophobicContact CG-CD2 4.31Å
171	A	91.1	Very high	90.2	Very high	21 Å²	21	27.4 Å²	27.4	17%	0.174	16%	0.162	C	C	.	.	H	α-helix	trans	-75.3	-23.8	179.2	0	0	0	0	0	113.6	D167 V168 I169 R174 A175	D167-A171 PolarHBondContact O-N 3.16Å; V168-A171 PolarHBondContact O-N 2.84Å; I169-A171 PolarHBondContact O-N 3.05Å; I169-A171 VanDerWaalsContact O-N 3.1Å; A171-R174 PolarHBondContact O-N 2.81Å; A171-A175 WeakPolarHBondContact O-CB 3.32Å; A171-A175 PolarHBondContact O-N 3.37Å
172	Q	93	Very high	90.7	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-47.4	-165.6	-60.3	-50	-43.8	0	0	113.6	A93 Y94 V168 I169 R174 A175 C176 F407	A93-Q172 HydrophobicContact CB-CG 3.67Å; Y94-Q172 VanDerWaalsContact N-NE2 3.2Å; Y94-Q172 PolarHBondContact O-NE2 2.94Å; V168-Q172 WeakPolarHBondContact O-CG 3.39Å; V168-Q172 PolarHBondContact O-NE2 2.71Å; I169-Q172 WeakPolarHBondContact O-CB 3.32Å; I169-Q172 WeakPolarHBondContact O-CG 3.48Å; I169-Q172 PolarHBondContact O-N 3.41Å; Q172-R174 PolarHBondContact O-N 2.8Å; Q172-A175 PolarHBondContact O-N 3.45Å; Q172-C176 VanDerWaalsContact O-CB 3.22Å; Q172-C176 WeakPolarHBondContact O-CB 3.26Å; Q172-C176 PolarHBondContact O-N 2.96Å; Q172-F407 HydrophobicContact CB-CB 4.1Å; Q172-F407 HydrophobicContact CB-CD1 3.58Å; Q172-F407 HydrophobicContact CB-CD2 3.41Å; Q172-F407 VanDerWaalsContact CB-CD2 3.41Å; Q172-F407 HydrophobicContact CB-CE1 3.76Å; Q172-F407 HydrophobicContact CB-CE2 3.57Å; Q172-F407 HydrophobicContact CB-CG 3.41Å; Q172-F407 VanDerWaalsContact CB-CG 3.41Å; Q172-F407 HydrophobicContact CB-CZ 3.74Å; Q172-F407 HydrophobicContact CG-CD1 3.91Å; Q172-F407 HydrophobicContact CG-CE1 4.17Å; Q172-F407 HydrophobicContact CG-CG 4.12Å
173	G	90	Very high	90.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-14.6	-176.7	0	0	0	0	0	115.4	D405	G173-D405 WeakPolarHBondContact CA-OD2 3.43Å
174	R	91	Very high	90.9	Very high	10 Å²	10	37.4 Å²	37.4	4%	0.038	20%	0.195	C	C	.	.	H	α-helix	trans	-106.6	-9	175.5	-63.2	177.1	-57.1	-64.9	-6.7	113.6	L170 A171 Q172 F185 V187 A192 L215 L402	L170-R174 PolarHBondContact O-NH1 2.87Å; L170-R174 PolarHBondContact O-NH2 2.82Å; A171-R174 PolarHBondContact O-N 2.81Å; Q172-R174 PolarHBondContact O-N 2.8Å; R174-F185 HydrophobicContact CB-CD2 4.32Å; R174-F185 HydrophobicContact CG-CD2 4.18Å; R174-F185 HydrophobicContact CG-CE2 4.35Å; R174-V187 HydrophobicContact CB-CG2 4.28Å; R174-V187 WeakPolarHBondContact O-CG2 3.39Å; R174-A192 HydrophobicContact CB-CB 4.14Å; R174-A192 HydrophobicContact CG-CB 4.38Å; R174-L215 VanDerWaalsContact CZ-CD1 3.43Å; R174-L402 VanDerWaalsContact NH1-CD2 3.26Å
175	A	89.2	Confident	91	Very high	18 Å²	18	33.9 Å²	33.9	15%	0.149	18%	0.179	C	C	.	.	H	α-helix	trans	-116.6	-22.8	-176.9	0	0	0	0	0	113.7	A171 Q172 V187	A171-A175 WeakPolarHBondContact O-CB 3.32Å; A171-A175 PolarHBondContact O-N 3.37Å; Q172-A175 PolarHBondContact O-N 3.45Å; A175-V187 HydrophobicContact CB-CG2 4.21Å
176	C	92	Very high	90.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.			trans	-75.6	122.6	-177	178.2	0	0	0	0	111.3	W76 Q172 L178 V179 A182 F407	W76-C176 HydrophobicContact CD2-CB 4.21Å; W76-C176 HydrophobicContact CH2-CB 4.41Å; W76-C176 HydrophobicContact CZ2-CB 3.81Å; Q172-C176 VanDerWaalsContact O-CB 3.22Å; Q172-C176 WeakPolarHBondContact O-CB 3.26Å; Q172-C176 PolarHBondContact O-N 2.96Å; C176-L178 PolarHBondContact O-N 3.25Å; C176-L178 PolarHBondContact SG-N 3.42Å; C176-L178 VanDerWaalsContact SG-N 3.41Å; C176-V179 HydrophobicContact CB-CG2 4.21Å; C176-V179 PolarHBondContact O-N 3.35Å; C176-V179 VanDerWaalsContact O-N 3.1Å; C176-A182 WeakPolarHBondContact O-CB 3.47Å; C176-F407 HydrophobicContact CB-CE2 3.82Å; C176-F407 HydrophobicContact CB-CZ 3.65Å
177	T	89.6	Confident	90.8	Very high	75 Å²	75	35.4 Å²	35.4	46%	0.46	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-6.5	-179.9	58.1	0	0	0	0	114	W76 V179	W76-T177 WeakPolarHBondContact CB-OG1 3.33Å; T177-V179 VanDerWaalsContact C-N 3.29Å
178	L	91.4	Very high	90.4	Very high	54 Å²	54	35.6 Å²	35.6	28%	0.283	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.4	169.9	-55.8	179.7	0	0	0	112	W76 V79 K80 P89 F90 C176	W76-L178 HydrophobicContact CE3-CD1 3.72Å; W76-L178 HydrophobicContact CE3-CG 4.09Å; W76-L178 HydrophobicContact CZ3-CD1 4.06Å; V79-L178 HydrophobicContact CG1-CD1 4.04Å; K80-L178 HydrophobicContact CB-CD2 4.11Å; K80-L178 HydrophobicContact CD-CD2 4.19Å; K80-L178 HydrophobicContact CG-CD2 4.31Å; P89-L178 HydrophobicContact CB-CD1 3.84Å; P89-L178 HydrophobicContact CG-CD1 4.5Å; F90-L178 HydrophobicContact CE1-CB 4.37Å; C176-L178 PolarHBondContact O-N 3.25Å; C176-L178 PolarHBondContact SG-N 3.42Å; C176-L178 VanDerWaalsContact SG-N 3.41Å
179	V	91.1	Very high	90	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.036	20%	0.204	C	C	.	.	S	Bend	trans	-95.7	111.4	177.8	176.7	0	0	0	0	108.4	F90 C176 T177 R181 A182 F407	F90-V179 HydrophobicContact CD1-CG2 4.5Å; F90-V179 HydrophobicContact CE1-CG2 3.75Å; C176-V179 HydrophobicContact CB-CG2 4.21Å; C176-V179 PolarHBondContact O-N 3.35Å; C176-V179 VanDerWaalsContact O-N 3.1Å; T177-V179 VanDerWaalsContact C-N 3.29Å; V179-R181 HydrophobicContact CG1-CB 4.5Å; V179-R181 HydrophobicContact CG1-CG 3.32Å; V179-R181 PolarHBondContact O-N 3.28Å; V179-R181 VanDerWaalsContact O-N 3.14Å; V179-A182 HydrophobicContact CB-CB 4.48Å; V179-A182 WeakPolarHBondContact O-CB 3.39Å; V179-A182 PolarHBondContact O-N 2.93Å; V179-F407 HydrophobicContact CG2-CE2 3.86Å
180	S	87.6	Confident	89.7	Confident	102 Å²	102	40.2 Å²	40.2	71%	0.713	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-54.7	-36.4	-175.8	58.2	0	0	0	0	113.5	A182 E183	S180-A182 PolarHBondContact O-N 2.95Å; S180-E183 PolarHBondContact O-N 2.86Å
181	R	87.9	Confident	89.7	Confident	30 Å²	30	40.6 Å²	40.6	11%	0.113	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-66.6	-20.2	177.7	60	174	-170.7	-95.2	0.4	114.2	V179 E183 R184 F185 N401 D405 E406	V179-R181 HydrophobicContact CG1-CB 4.5Å; V179-R181 HydrophobicContact CG1-CG 3.32Å; V179-R181 PolarHBondContact O-N 3.28Å; V179-R181 VanDerWaalsContact O-N 3.14Å; R181-E183 PolarHBondContact O-N 3.03Å; R181-R184 WeakPolarHBondContact O-CB 3.44Å; R181-R184 PolarHBondContact O-N 3.13Å; R181-F185 WeakPolarHBondContact O-CD2 3.45Å; R181-N401 PolarHBondContact NH1-ND2 3.16Å; R181-D405 IonicContact NH2-OD2 2.72Å; R181-D405 PolarHBondContact NH2-OD2 3.14Å; R181-E406 IonicContact CZ-OE1 3.67Å; R181-E406 IonicContact CZ-OE2 3.83Å; R181-E406 VanDerWaalsContact CZ-OE2 3.25Å; R181-E406 IonicContact NH1-OE1 3.6Å; R181-E406 PolarHBondContact NH1-OE1 3.44Å; R181-E406 IonicContact NH1-OE2 3.15Å; R181-E406 PolarHBondContact NH1-OE2 2.76Å; R181-E406 VanDerWaalsContact NH1-OE2 3.08Å; R181-E406 IonicContact NH2-OE1 2.71Å; R181-E406 IonicContact NH2-OE2 3.34Å; R181-E406 PolarHBondContact NH2-OE2 3.36Å
182	A	88.2	Confident	89.8	Confident	10 Å²	10	39.7 Å²	39.7	8%	0.083	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.8	-26.3	178.9	0	0	0	0	0	112.3	C176 V179 S180 R184 F185	C176-A182 WeakPolarHBondContact O-CB 3.47Å; V179-A182 HydrophobicContact CB-CB 4.48Å; V179-A182 WeakPolarHBondContact O-CB 3.39Å; V179-A182 PolarHBondContact O-N 2.93Å; S180-A182 PolarHBondContact O-N 2.95Å; A182-R184 PolarHBondContact O-N 3.21Å; A182-F185 PolarHBondContact O-N 3.21Å
183	E	89.1	Confident	89.9	Confident	140 Å²	140	40.1 Å²	40.1	65%	0.654	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-64	-23.2	178.8	-64.6	-174.6	165.9	0	0	113.6	S180 R181 F185 I195 K362	S180-E183 PolarHBondContact O-N 2.86Å; R181-E183 PolarHBondContact O-N 3.03Å; E183-F185 PolarHBondContact O-N 3.31Å; E183-I195 WeakPolarHBondContact O-CD1 3.4Å; E183-K362 PolarHBondContact O-NZ 2.82Å; E183-K362 VanDerWaalsContact O-NZ 3.13Å
184	R	90.3	Very high	90	Very high	167 Å²	167	42.7 Å²	42.7	63%	0.63	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-76.8	-7.3	176.6	-59.4	-176.9	-179.8	-180	-0.2	113.4	R181 A182 I195	R181-R184 WeakPolarHBondContact O-CB 3.44Å; R181-R184 PolarHBondContact O-N 3.13Å; A182-R184 PolarHBondContact O-N 3.21Å; R184-I195 PolarHBondContact O-N 2.81Å
185	F	91.7	Very high	90.1	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.066	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.5	-177.3	-59.8	-76	0	0	0	112.3	R174 R181 A182 E183 A192 Y193 E194 A400	R174-F185 HydrophobicContact CB-CD2 4.32Å; R174-F185 HydrophobicContact CG-CD2 4.18Å; R174-F185 HydrophobicContact CG-CE2 4.35Å; R181-F185 WeakPolarHBondContact O-CD2 3.45Å; A182-F185 PolarHBondContact O-N 3.21Å; E183-F185 PolarHBondContact O-N 3.31Å; F185-A192 HydrophobicContact CB-CB 4.31Å; F185-A192 HydrophobicContact CD1-CB 4.17Å; F185-A192 HydrophobicContact CG-CB 4.38Å; F185-Y193 CarbonylContact C-O 3.59Å; F185-Y193 VanDerWaalsContact CA-O 3.27Å; F185-Y193 WeakPolarHBondContact CA-O 3.48Å; F185-E194 HydrophobicContact CD1-CB 4.42Å; F185-E194 HydrophobicContact CE1-CB 4.27Å; F185-A400 HydrophobicContact CZ-CB 4.35Å
186	C	90.9	Very high	90.2	Very high	13 Å²	13	45.2 Å²	45.2	9%	0.088	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.7	162.4	179.6	0	0	0	0	108	Y193 W210 F236	C186-Y193 PolarHBondContact N-O 2.86Å; C186-Y193 WeakPolarHBondContact O-CD2 3.24Å; C186-Y193 PolarHBondContact O-N 3.01Å; C186-W210 HydrophobicContact CB-CE3 4.45Å; C186-W210 HydrophobicContact CB-CZ3 3.87Å; C186-F236 HydrophobicContact CB-CE1 4.33Å; C186-F236 HydrophobicContact CB-CZ 4.41Å
187	V	89.1	Confident	89.9	Confident	19 Å²	19	50.5 Å²	50.5	12%	0.115	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.5	-176.1	-178.4	0	0	0	0	110	R174 A175 S191 A192	R174-V187 HydrophobicContact CB-CG2 4.28Å; R174-V187 WeakPolarHBondContact O-CG2 3.39Å; A175-V187 HydrophobicContact CB-CG2 4.21Å; V187-S191 CarbonylContact C-O 3.6Å; V187-S191 WeakPolarHBondContact CA-O 3.31Å; V187-A192 HydrophobicContact CG2-CB 4.17Å
188	V	85.2	Confident	89.6	Confident	41 Å²	41	58.6 Å²	58.6	25%	0.248	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	109.9	174.9	-172	0	0	0	0	109.1	N190 S191 Y193	V188-N190 PolarHBondContact O-N 2.83Å; V188-S191 PolarHBondContact N-O 3.22Å; V188-S191 PolarHBondContact O-N 3.32Å; V188-S191 VanDerWaalsContact O-N 3.16Å; V188-Y193 HydrophobicContact CB-CD2 4.4Å; V188-Y193 HydrophobicContact CB-CE2 3.99Å; V188-Y193 HydrophobicContact CG2-CD2 4.19Å; V188-Y193 HydrophobicContact CG2-CE2 4.2Å
189	G	84.6	Confident	89.3	Confident	40 Å²	40	59.8 Å²	59.8	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	-128	-170.1	0	0	0	0	0	110.7	S191	G189-S191 VanDerWaalsContact C-N 3.32Å
190	N	88	Confident	89.1	Confident	78 Å²	78	60.1 Å²	60.1	42%	0.417	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.3	179.3	-75	16.4	0	0	0	113.6	V188 F214 L215	V188-N190 PolarHBondContact O-N 2.83Å; N190-F214 HydrophobicContact CB-CD2 3.97Å; N190-F214 HydrophobicContact CB-CE2 3.64Å; N190-F214 HydrophobicContact CB-CZ 4.41Å; N190-L215 WeakPolarHBondContact CB-O 3.36Å; N190-L215 PolarHBondContact O-N 2.96Å; N190-L215 VanDerWaalsContact O-N 3.08Å
191	S	92.8	Very high	89.3	Confident	10 Å²	10	58.1 Å²	58.1	7%	0.07	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	137.9	177.9	-69.8	0	0	0	0	111.6	V187 V188 G189 L213 S232	V187-S191 CarbonylContact C-O 3.6Å; V187-S191 WeakPolarHBondContact CA-O 3.31Å; V188-S191 PolarHBondContact N-O 3.22Å; V188-S191 PolarHBondContact O-N 3.32Å; V188-S191 VanDerWaalsContact O-N 3.16Å; G189-S191 VanDerWaalsContact C-N 3.32Å; S191-L213 CarbonylContact C-O 3.6Å; S191-L213 VanDerWaalsContact CA-O 3.31Å; S191-L213 WeakPolarHBondContact CA-O 3.49Å; S191-S232 PolarHBondContact OG-OG 3.42Å
192	A	93.1	Very high	89.5	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.7	169.1	0	0	0	0	0	109.7	R174 F185 V187 G212 L213	R174-A192 HydrophobicContact CB-CB 4.14Å; R174-A192 HydrophobicContact CG-CB 4.38Å; F185-A192 HydrophobicContact CB-CB 4.31Å; F185-A192 HydrophobicContact CD1-CB 4.17Å; F185-A192 HydrophobicContact CG-CB 4.38Å; V187-A192 HydrophobicContact CG2-CB 4.17Å; A192-G212 CarbonylContact O-C 3.54Å; A192-G212 WeakPolarHBondContact O-CA 3.3Å; A192-L213 PolarHBondContact N-O 2.63Å; A192-L213 PolarHBondContact O-N 2.94Å
193	Y	94.5	Very high	89.7	Confident	13 Å²	13	59.4 Å²	59.4	5%	0.051	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.2	-179.5	-61.3	-80.9	0	0	0	110.5	F185 C186 V188 S232 A234 F236	F185-Y193 CarbonylContact C-O 3.59Å; F185-Y193 VanDerWaalsContact CA-O 3.27Å; F185-Y193 WeakPolarHBondContact CA-O 3.48Å; C186-Y193 PolarHBondContact N-O 2.86Å; C186-Y193 WeakPolarHBondContact O-CD2 3.24Å; C186-Y193 PolarHBondContact O-N 3.01Å; V188-Y193 HydrophobicContact CB-CD2 4.4Å; V188-Y193 HydrophobicContact CB-CE2 3.99Å; V188-Y193 HydrophobicContact CG2-CD2 4.19Å; V188-Y193 HydrophobicContact CG2-CE2 4.2Å; Y193-S232 WeakPolarHBondContact CE1-OG 3.37Å; Y193-A234 HydrophobicContact CD1-CB 3.99Å; Y193-A234 HydrophobicContact CE1-CB 3.43Å; Y193-A234 VanDerWaalsContact CE1-CB 3.43Å; Y193-A234 HydrophobicContact CE2-CB 4.02Å; Y193-A234 VanDerWaalsContact CZ-CB 3.43Å; Y193-F236 HydrophobicContact CD1-CE2 4.33Å; Y193-F236 HydrophobicContact CD2-CE2 4.18Å; Y193-F236 AromaticContact CD2-CZ 3.97Å; Y193-F236 HydrophobicContact CD2-CZ 3.97Å; Y193-F236 AromaticContact CG-CE2 3.9Å; Y193-F236 HydrophobicContact CG-CE2 3.9Å; Y193-F236 HydrophobicContact CG-CZ 4.06Å
194	E	92.9	Very high	89.8	Confident	54 Å²	54	56.5 Å²	56.5	25%	0.252	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	128.9	177.4	-171.1	171.5	-153.7	0	0	109.2	F185 P196 R211 R399	F185-E194 HydrophobicContact CD1-CB 4.42Å; F185-E194 HydrophobicContact CE1-CB 4.27Å; E194-P196 WeakPolarHBondContact O-CD 3.43Å; E194-R211 PolarHBondContact N-O 3.46Å; E194-R399 IonicContact OE1-NH1 3.4Å; E194-R399 IonicContact OE2-NH1 3.64Å; E194-R399 PolarHBondContact OE2-NH1 2.76Å
195	I	93.2	Very high	89.9	Confident	45 Å²	45	50.4 Å²	50.4	23%	0.231	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-76.2	122.2	176.8	-64.4	155.3	0	0	0	107.5	E183 R184 A197 W210 K362	E183-I195 WeakPolarHBondContact O-CD1 3.4Å; R184-I195 PolarHBondContact O-N 2.81Å; I195-A197 PolarHBondContact O-N 3.19Å; I195-W210 HydrophobicContact CB-CH2 4.34Å; I195-W210 HydrophobicContact CB-CZ3 4.3Å; I195-W210 HydrophobicContact CG1-CE3 4.37Å; I195-W210 HydrophobicContact CG1-CH2 3.82Å; I195-W210 HydrophobicContact CG1-CZ3 3.55Å; I195-W210 HydrophobicContact CG2-CH2 4.13Å; I195-K362 HydrophobicContact CD1-CD 3.91Å; I195-K362 HydrophobicContact CD1-CG 4.29Å; I195-K362 VanDerWaalsContact CD1-NZ 3.27Å
196	P	90.8	Very high	90	Very high	37 Å²	37	49.7 Å²	49.7	24%	0.24	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-60.9	135.6	179.5	-21.2	31.9	0	0	0	111.6	E194 R198 S199 W210	E194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-R198 PolarHBondContact O-N 2.83Å; P196-S199 VanDerWaalsContact CB-C 3.43Å; P196-S199 WeakPolarHBondContact CB-O 3.48Å; P196-W210 HydrophobicContact CG-CD2 4.35Å; P196-W210 HydrophobicContact CG-CG 4.16Å
197	A	85.7	Confident	90.1	Very high	110 Å²	110	49.1 Å²	49.1	91%	0.909	28%	0.278	S	S	*	.	S	Bend	trans	-66.9	-21	177.9	0	0	0	0	0	113.9	I195	I195-A197 PolarHBondContact O-N 3.19Å
198	R	84.4	Confident	90.4	Very high	245 Å²	245	48.4 Å²	48.4	93%	0.925	27%	0.274	S	S	*	.	S	Bend	trans	-127.8	-70.5	176.7	-66.4	-176.3	-179.5	-176.6	-0.2	110.9	P196	P196-R198 PolarHBondContact O-N 2.83Å
199	S	83.3	Confident	90.9	Very high	80 Å²	80	47 Å²	47	56%	0.559	27%	0.265	S	S	*	.			trans	-150.7	150.2	177.3	54.9	0	0	0	0	110.2	P196	P196-S199 VanDerWaalsContact CB-C 3.43Å; P196-S199 WeakPolarHBondContact CB-O 3.48Å
200	G	86.9	Confident	91.4	Very high	13 Å²	13	45.3 Å²	45.3	13%	0.134	25%	0.246	C	C	.	.			trans	-75.3	179.4	171.6	0	0	0	0	0	111.4	N202 E208	G200-N202 PolarHBondContact O-N 3.5Å; G200-N202 VanDerWaalsContact O-N 3.16Å; G200-E208 VanDerWaalsContact N-CD 3.33Å; G200-E208 PolarHBondContact N-OE2 2.86Å
201	V	92.4	Very high	91.7	Very high	60 Å²	60	46.4 Å²	46.4	36%	0.364	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	118.9	175.4	-177.7	0	0	0	0	109.1	L203 E208 L209 Q381	V201-L203 PolarHBondContact O-N 3.27Å; V201-E208 CarbonylContact O-C 3.58Å; V201-E208 VanDerWaalsContact O-CA 3.23Å; V201-E208 WeakPolarHBondContact O-CA 3.19Å; V201-L209 HydrophobicContact CB-CB 4.17Å; V201-L209 PolarHBondContact N-O 2.88Å; V201-L209 PolarHBondContact O-N 3.12Å; V201-Q381 HydrophobicContact CG1-CG 3.76Å
202	N	92.4	Very high	91.7	Very high	67 Å²	67	46 Å²	46	36%	0.358	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	117.4	-176.6	-173	1.1	0	0	0	111.6	G200 K204 R238	G200-N202 PolarHBondContact O-N 3.5Å; G200-N202 VanDerWaalsContact O-N 3.16Å; N202-K204 WeakPolarHBondContact OD1-CA 3.38Å; N202-K204 PolarHBondContact OD1-N 2.71Å; N202-R238 PolarHBondContact OD1-NH2 3.05Å
203	L	92.5	Very high	91.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.			trans	-101.4	14.8	173.5	-60.9	-176.5	0	0	0	112.3	V201 V207 L209 A235 Q374 L377 V378	V201-L203 PolarHBondContact O-N 3.27Å; L203-V207 WeakPolarHBondContact CA-O 3.47Å; L203-V207 HydrophobicContact CB-CB 4.23Å; L203-V207 HydrophobicContact CB-CG1 4.31Å; L203-V207 HydrophobicContact CD1-CG1 4.17Å; L203-V207 PolarHBondContact N-O 3.45Å; L203-L209 HydrophobicContact CD1-CB 3.93Å; L203-L209 HydrophobicContact CD1-CD1 4.22Å; L203-L209 HydrophobicContact CD2-CB 4.21Å; L203-L209 HydrophobicContact CG-CB 4.05Å; L203-A235 HydrophobicContact CD1-CB 4.2Å; L203-Q374 VanDerWaalsContact O-CG 3.23Å; L203-Q374 WeakPolarHBondContact O-CG 3.39Å; L203-Q374 PolarHBondContact O-NE2 2.95Å; L203-L377 HydrophobicContact CD2-CB 3.87Å; L203-L377 HydrophobicContact CD2-CD1 4.47Å; L203-V378 HydrophobicContact CD1-CG2 3.55Å; L203-V378 HydrophobicContact CD2-CG2 3.7Å; L203-V378 HydrophobicContact CG-CG2 4.29Å
204	K	91.6	Very high	91.8	Very high	79 Å²	79	46.3 Å²	46.3	34%	0.343	24%	0.243	S	C	.	.	S	Bend	trans	58.6	179.3	-172.8	-54.9	-66.6	-172.3	163.1	0	112.5	N202 G206 V207 A252 F373 Q374	N202-K204 WeakPolarHBondContact OD1-CA 3.38Å; N202-K204 PolarHBondContact OD1-N 2.71Å; K204-G206 PolarHBondContact O-N 2.81Å; K204-G206 VanDerWaalsContact O-N 3.09Å; K204-V207 WeakPolarHBondContact O-CB 3.41Å; K204-V207 PolarHBondContact O-N 2.9Å; K204-A252 WeakPolarHBondContact CB-O 3.15Å; K204-F373 HydrophobicContact CB-CE1 4.12Å; K204-F373 HydrophobicContact CG-CE1 3.58Å; K204-F373 HydrophobicContact CG-CZ 4.06Å; K204-Q374 PolarHBondContact O-NE2 3.05Å
205	L	91.9	Very high	91.9	Very high	39 Å²	39	44 Å²	44	20%	0.204	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	29.2	-179.7	-61.7	165.8	0	0	0	113.5	V207 Y245 A252 Q374	L205-V207 PolarHBondContact O-N 2.65Å; L205-Y245 WeakPolarHBondContact O-CE2 3.32Å; L205-A252 HydrophobicContact CD2-CB 3.99Å; L205-Q374 HydrophobicContact CD1-CG 4.48Å
206	G	92.8	Very high	92	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	21.4	-177.3	0	0	0	0	0	114.6	K204 R238 Q240 D248	K204-G206 PolarHBondContact O-N 2.81Å; K204-G206 VanDerWaalsContact O-N 3.09Å; G206-R238 PolarHBondContact O-N 3.43Å; G206-Q240 VanDerWaalsContact CA-NE2 3.34Å; G206-D248 VanDerWaalsContact CA-OD2 3.28Å; G206-D248 WeakPolarHBondContact CA-OD2 3.44Å; G206-D248 PolarHBondContact N-OD2 3.06Å
207	V	94.4	Very high	92.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.1	179.5	-171.9	0	0	0	0	109.7	L203 K204 L205 A235 F236 Y365	L203-V207 WeakPolarHBondContact CA-O 3.47Å; L203-V207 HydrophobicContact CB-CB 4.23Å; L203-V207 HydrophobicContact CB-CG1 4.31Å; L203-V207 HydrophobicContact CD1-CG1 4.17Å; L203-V207 PolarHBondContact N-O 3.45Å; K204-V207 WeakPolarHBondContact O-CB 3.41Å; K204-V207 PolarHBondContact O-N 2.9Å; L205-V207 PolarHBondContact O-N 2.65Å; V207-A235 HydrophobicContact CG1-CB 3.76Å; V207-F236 WeakPolarHBondContact CA-O 3.35Å; V207-F236 WeakPolarHBondContact CG1-O 3.02Å; V207-Y365 HydrophobicContact CG1-CD2 4.21Å; V207-Y365 HydrophobicContact CG1-CG 4.1Å; V207-Y365 HydrophobicContact CG2-CD2 3.47Å; V207-Y365 VanDerWaalsContact CG2-CD2 3.47Å; V207-Y365 HydrophobicContact CG2-CE2 3.5Å; V207-Y365 VanDerWaalsContact CG2-CE2 3.5Å; V207-Y365 HydrophobicContact CG2-CG 4.12Å
208	E	94.9	Very high	92.3	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.5	172.9	57.3	179	-148.3	0	0	112	G200 V201 W210 A235 F236 R238	G200-E208 VanDerWaalsContact N-CD 3.33Å; G200-E208 PolarHBondContact N-OE2 2.86Å; V201-E208 CarbonylContact O-C 3.58Å; V201-E208 VanDerWaalsContact O-CA 3.23Å; V201-E208 WeakPolarHBondContact O-CA 3.19Å; E208-W210 PolarHBondContact OE1-NE1 3.22Å; E208-A235 CarbonylContact O-C 3.59Å; E208-A235 WeakPolarHBondContact O-CA 3.39Å; E208-F236 PolarHBondContact N-O 3.3Å; E208-F236 PolarHBondContact O-N 2.93Å; E208-R238 HydrophobicContact CG-CB 4.18Å; E208-R238 IonicContact OE2-NE 3.19Å
209	L	95	Very high	92.6	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.063	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.5	179.7	-169	68.3	0	0	0	110.1	V201 L203 H233 V378 Q381	V201-L209 HydrophobicContact CB-CB 4.17Å; V201-L209 PolarHBondContact N-O 2.88Å; V201-L209 PolarHBondContact O-N 3.12Å; L203-L209 HydrophobicContact CD1-CB 3.93Å; L203-L209 HydrophobicContact CD1-CD1 4.22Å; L203-L209 HydrophobicContact CD2-CB 4.21Å; L203-L209 HydrophobicContact CG-CB 4.05Å; L209-H233 HydrophobicContact CD1-CB 3.88Å; L209-H233 HydrophobicContact CD2-CB 4.38Å; L209-H233 HydrophobicContact CG-CB 4.2Å; L209-V378 HydrophobicContact CD1-CG1 4.28Å; L209-V378 HydrophobicContact CD1-CG2 4.1Å; L209-V378 HydrophobicContact CD2-CG1 4.48Å; L209-Q381 HydrophobicContact CD2-CB 3.99Å
210	W	95.1	Very high	92.9	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.019	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.2	172.2	-64.3	7	0	0	0	110.2	C186 I195 P196 E208 H233 A234 F236 K362	C186-W210 HydrophobicContact CB-CE3 4.45Å; C186-W210 HydrophobicContact CB-CZ3 3.87Å; I195-W210 HydrophobicContact CB-CH2 4.34Å; I195-W210 HydrophobicContact CB-CZ3 4.3Å; I195-W210 HydrophobicContact CG1-CE3 4.37Å; I195-W210 HydrophobicContact CG1-CH2 3.82Å; I195-W210 HydrophobicContact CG1-CZ3 3.55Å; I195-W210 HydrophobicContact CG2-CH2 4.13Å; P196-W210 HydrophobicContact CG-CD2 4.35Å; P196-W210 HydrophobicContact CG-CG 4.16Å; E208-W210 PolarHBondContact OE1-NE1 3.22Å; W210-H233 VanDerWaalsContact O-CA 3.27Å; W210-H233 WeakPolarHBondContact O-CA 3.38Å; W210-A234 PolarHBondContact N-O 2.95Å; W210-A234 PolarHBondContact O-N 2.9Å; W210-F236 HydrophobicContact CB-CD2 3.69Å; W210-F236 HydrophobicContact CB-CE2 3.86Å; W210-F236 HydrophobicContact CD2-CB 4Å; W210-F236 HydrophobicContact CD2-CD1 4.17Å; W210-F236 AromaticContact CD2-CD2 3.42Å; W210-F236 HydrophobicContact CD2-CD2 3.42Å; W210-F236 VanDerWaalsContact CD2-CD2 3.42Å; W210-F236 AromaticContact CD2-CE2 3.87Å; W210-F236 HydrophobicContact CD2-CE2 3.87Å; W210-F236 AromaticContact CD2-CG 3.6Å; W210-F236 HydrophobicContact CD2-CG 3.6Å; W210-F236 HydrophobicContact CD2-CZ 4.43Å; W210-F236 AromaticContact CE2-CG 3.84Å; W210-F236 AromaticContact CE3-CD1 3.89Å; W210-F236 HydrophobicContact CE3-CD1 3.89Å; W210-F236 AromaticContact CE3-CD2 3.63Å; W210-F236 HydrophobicContact CE3-CD2 3.63Å; W210-F236 AromaticContact CE3-CE1 3.91Å; W210-F236 HydrophobicContact CE3-CE1 3.91Å; W210-F236 AromaticContact CE3-CE2 3.63Å; W210-F236 HydrophobicContact CE3-CE2 3.63Å; W210-F236 AromaticContact CE3-CG 3.77Å; W210-F236 HydrophobicContact CE3-CG 3.77Å; W210-F236 AromaticContact CE3-CZ 3.78Å; W210-F236 HydrophobicContact CE3-CZ 3.78Å; W210-F236 HydrophobicContact CG-CB 4.3Å; W210-F236 AromaticContact CG-CD2 3.47Å; W210-F236 HydrophobicContact CG-CD2 3.47Å; W210-F236 VanDerWaalsContact CG-CD2 3.47Å; W210-F236 HydrophobicContact CG-CE2 4.01Å; W210-F236 HydrophobicContact CG-CG 4.03Å; W210-F236 HydrophobicContact CH2-CD1 4.15Å; W210-F236 HydrophobicContact CH2-CG 4.39Å; W210-F236 HydrophobicContact CZ2-CB 4.14Å; W210-F236 HydrophobicContact CZ2-CD1 4.41Å; W210-F236 HydrophobicContact CZ2-CG 4.25Å; W210-F236 AromaticContact CZ3-CD1 3.87Å; W210-F236 HydrophobicContact CZ3-CD1 3.87Å; W210-F236 HydrophobicContact CZ3-CD2 4.44Å; W210-F236 AromaticContact CZ3-CE1 3.91Å; W210-F236 HydrophobicContact CZ3-CE1 3.91Å; W210-F236 HydrophobicContact CZ3-CE2 4.45Å; W210-F236 HydrophobicContact CZ3-CG 4.16Å; W210-F236 HydrophobicContact CZ3-CZ 4.21Å; W210-K362 HydrophobicContact CH2-CG 4.38Å
211	R	94.2	Very high	93	Very high	101 Å²	101	27.4 Å²	27.4	38%	0.381	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	140.9	173.5	-171	-179.2	-67.6	172.2	4.5	109.1	E194 V231 M396	E194-R211 PolarHBondContact N-O 3.46Å; R211-V231 HydrophobicContact CG-CG1 3.73Å; R211-M396 HydrophobicContact CG-CE 4.01Å; R211-M396 HydrophobicContact CG-SD 3.76Å
212	G	94.1	Very high	92.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163.1	-178.3	0	0	0	0	0	113.7	A192 S232	A192-G212 CarbonylContact O-C 3.54Å; A192-G212 WeakPolarHBondContact O-CA 3.3Å; G212-S232 PolarHBondContact N-O 3.4Å; G212-S232 PolarHBondContact O-N 3.11Å; G212-S232 PolarHBondContact O-OG 2.95Å
213	L	94.9	Very high	92.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.7	176.5	-172.2	62.9	0	0	0	109.4	S191 A192 L215 I229 M396 A400 L402	S191-L213 CarbonylContact C-O 3.6Å; S191-L213 VanDerWaalsContact CA-O 3.31Å; S191-L213 WeakPolarHBondContact CA-O 3.49Å; A192-L213 PolarHBondContact N-O 2.63Å; A192-L213 PolarHBondContact O-N 2.94Å; L213-L215 HydrophobicContact CD2-CD2 4.05Å; L213-L215 HydrophobicContact CD2-CG 4.34Å; L213-L215 HydrophobicContact CG-CD2 4.02Å; L213-L215 HydrophobicContact CG-CG 4.27Å; L213-I229 HydrophobicContact CD1-CG2 3.35Å; L213-I229 HydrophobicContact CG-CG2 4.27Å; L213-M396 HydrophobicContact CB-CB 4.37Å; L213-M396 HydrophobicContact CB-CE 4.19Å; L213-M396 HydrophobicContact CD1-CB 3.8Å; L213-M396 HydrophobicContact CG-CB 4.47Å; L213-A400 HydrophobicContact CD2-CB 4.01Å; L213-L402 HydrophobicContact CD2-CD1 3.79Å
214	F	95.6	Very high	92.4	Very high	21 Å²	21	32.1 Å²	32.1	9%	0.092	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.8	167.9	172	-88.9	0	0	0	109.7	N190 I229 D230 H734	N190-F214 HydrophobicContact CB-CD2 3.97Å; N190-F214 HydrophobicContact CB-CE2 3.64Å; N190-F214 HydrophobicContact CB-CZ 4.41Å; F214-I229 WeakPolarHBondContact O-CA 3.34Å; F214-D230 HydrophobicContact CB-CB 4.35Å; F214-D230 WeakPolarHBondContact CB-O 3.23Å; F214-D230 HydrophobicContact CD1-CB 4.28Å; F214-D230 PolarHBondContact N-O 3.15Å; F214-D230 PolarHBondContact O-N 2.99Å; F214-H734 HydrophobicContact CD1-CB 3.6Å; F214-H734 AromaticContact CD1-CD2 3.75Å; F214-H734 AromaticContact CD1-CG 3.36Å; F214-H734 AromaticContact CD1-ND1 3.64Å; F214-H734 AromaticContact CD2-CD2 3.8Å; F214-H734 AromaticContact CD2-CE1 3.66Å; F214-H734 AromaticContact CD2-NE2 3.54Å; F214-H734 HydrophobicContact CE1-CB 3.44Å; F214-H734 VanDerWaalsContact CE1-CB 3.44Å; F214-H734 AromaticContact CE1-CD2 3.39Å; F214-H734 WeakPolarHBondContact CE1-CD2 3.39Å; F214-H734 AromaticContact CE1-CG 3.34Å; F214-H734 AromaticContact CE2-CD2 3.42Å; F214-H734 VanDerWaalsContact CE2-CD2 3.42Å; F214-H734 WeakPolarHBondContact CE2-CD2 3.29Å; F214-H734 AromaticContact CE2-NE2 3.45Å; F214-H734 WeakPolarHBondContact CE2-NE2 3.27Å; F214-H734 HydrophobicContact CG-CB 4.45Å; F214-H734 AromaticContact CG-CD2 3.94Å; F214-H734 AromaticContact CG-CE1 3.68Å; F214-H734 AromaticContact CG-CG 3.76Å; F214-H734 AromaticContact CG-ND1 3.62Å; F214-H734 AromaticContact CG-NE2 3.93Å; F214-H734 HydrophobicContact CZ-CB 4.17Å; F214-H734 AromaticContact CZ-CD2 3.2Å; F214-H734 WeakPolarHBondContact CZ-CD2 3.33Å; F214-H734 AromaticContact CZ-CG 3.7Å; F214-H734 AromaticContact CZ-NE2 3.78Å
215	L	94.8	Very high	92.3	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.4	171.4	-59.1	179.5	0	0	0	110.7	R174 N190 L213 V227 N228 I229 L402	R174-L215 VanDerWaalsContact CZ-CD1 3.43Å; N190-L215 WeakPolarHBondContact CB-O 3.36Å; N190-L215 PolarHBondContact O-N 2.96Å; N190-L215 VanDerWaalsContact O-N 3.08Å; L213-L215 HydrophobicContact CD2-CD2 4.05Å; L213-L215 HydrophobicContact CD2-CG 4.34Å; L213-L215 HydrophobicContact CG-CD2 4.02Å; L213-L215 HydrophobicContact CG-CG 4.27Å; L215-V227 HydrophobicContact CB-CG1 4.18Å; L215-V227 HydrophobicContact CD2-CG1 4.07Å; L215-N228 WeakPolarHBondContact CA-O 2.93Å; L215-I229 HydrophobicContact CD2-CB 4.1Å; L215-I229 HydrophobicContact CD2-CD1 3.99Å; L215-I229 HydrophobicContact CD2-CG1 3.61Å; L215-I229 HydrophobicContact CD2-CG2 3.88Å; L215-L402 HydrophobicContact CD1-CD1 3.6Å; L215-L402 HydrophobicContact CD1-CD2 4Å; L215-L402 HydrophobicContact CD1-CG 4.42Å; L215-L402 HydrophobicContact CD2-CD1 4.1Å; L215-L402 HydrophobicContact CG-CD1 4.47Å
216	S	93.6	Very high	92.5	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	126.5	167.8	174.8	0	0	0	0	109.9	D167 R218 N228	D167-S216 WeakPolarHBondContact OD1-CA 3.44Å; S216-R218 PolarHBondContact OG-NE 2.87Å; S216-R218 PolarHBondContact OG-NH2 3.13Å; S216-N228 PolarHBondContact N-O 3.47Å; S216-N228 PolarHBondContact O-N 3.47Å
217	A	93.2	Very high	92.6	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.025	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.3	173.5	0	0	0	0	0	110	I163 V166 D167 L170 M226	I163-A217 HydrophobicContact CD1-CB 3.5Å; I163-A217 VanDerWaalsContact CD1-CB 3.5Å; I163-A217 VanDerWaalsContact CG1-C 3.46Å; I163-A217 HydrophobicContact CG1-CB 3.7Å; I163-A217 WeakPolarHBondContact CG1-O 3.49Å; V166-A217 HydrophobicContact CB-CB 3.99Å; V166-A217 HydrophobicContact CG1-CB 3.64Å; D167-A217 WeakPolarHBondContact OD1-CB 3.34Å; D167-A217 PolarHBondContact OD1-N 3.45Å; L170-A217 HydrophobicContact CD1-CB 4.08Å; A217-M226 CarbonylContact C-O 3.5Å; A217-M226 WeakPolarHBondContact CA-O 3.31Å
218	R	91.2	Very high	92.7	Very high	97 Å²	97	28.2 Å²	28.2	37%	0.366	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.7	-179.4	-63.1	-66	168.6	174.3	-4.8	110.4	F39 S216 P225 M226 E695	F39-R218 HydrophobicContact CE1-CB 4.2Å; F39-R218 HydrophobicContact CE1-CG 4.17Å; S216-R218 PolarHBondContact OG-NE 2.87Å; S216-R218 PolarHBondContact OG-NH2 3.13Å; R218-P225 CarbonylContact O-C 3.55Å; R218-P225 WeakPolarHBondContact O-CA 3.11Å; R218-M226 PolarHBondContact N-O 3.25Å; R218-M226 PolarHBondContact O-N 3.06Å; R218-M226 VanDerWaalsContact O-O 3.13Å; R218-E695 IonicContact NH1-OE2 3.74Å; R218-E695 PolarHBondContact NH1-OE2 2.71Å
219	V	89.9	Confident	92.7	Very high	42 Å²	42	28 Å²	28	26%	0.255	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.1	171.6	-177	0	0	0	0	108.1	F145 I163 Y223	F145-V219 HydrophobicContact CB-CG1 4.27Å; F145-V219 HydrophobicContact CB-CG2 4.16Å; F145-V219 HydrophobicContact CD1-CG2 3.92Å; F145-V219 HydrophobicContact CG-CG2 4.33Å; I163-V219 HydrophobicContact CB-CG2 4.46Å; I163-V219 HydrophobicContact CD1-CG2 3.87Å; I163-V219 HydrophobicContact CG1-CG2 4.27Å; V219-Y223 HydrophobicContact CG1-CD1 4.37Å
220	G	90.7	Very high	92.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-172.2	178.9	0	0	0	0	0	113.9	G222 Y223 R224 M226 R761 T763 A765	G220-G222 PolarHBondContact O-N 2.83Å; G220-Y223 WeakPolarHBondContact O-CA 3.36Å; G220-Y223 PolarHBondContact O-N 3.27Å; G220-R224 PolarHBondContact N-O 2.86Å; G220-R224 PolarHBondContact O-N 2.84Å; G220-M226 VanDerWaalsContact CA-CE 3.43Å; G220-R761 WeakPolarHBondContact CA-O 3.4Å; G220-T763 CarbonylContact C-O 3.57Å; G220-T763 VanDerWaalsContact C-O 3.28Å; G220-T763 WeakPolarHBondContact CA-O 3.43Å; G220-A765 WeakPolarHBondContact O-CB 3.36Å
221	E	89	Confident	92.8	Very high	37 Å²	37	27.4 Å²	27.4	17%	0.173	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-48.2	136.1	172.3	-174.3	-174.5	-157.1	0	0	111.3	Y26 Y223 R224 R760 R761 T763	Y26-E221 PolarHBondContact OH-OE1 2.99Å; E221-Y223 VanDerWaalsContact C-N 3.25Å; E221-Y223 PolarHBondContact O-N 3.26Å; E221-R224 WeakPolarHBondContact O-CG 3.44Å; E221-R760 IonicContact OE1-NH1 2.72Å; E221-R761 PolarHBondContact N-O 3.06Å; E221-R761 WeakPolarHBondContact OE2-CA 3.4Å; E221-R761 PolarHBondContact OE2-N 2.94Å; E221-T763 PolarHBondContact N-O 2.67Å
222	G	87.2	Confident	92.8	Very high	56 Å²	56	23.1 Å²	23.1	58%	0.577	12%	0.119	S	C	*	.	G	3₁₀ helix	trans	68.3	23.9	-177.3	0	0	0	0	0	113.8	G220 R224	G220-G222 PolarHBondContact O-N 2.83Å; G222-R224 PolarHBondContact O-N 2.94Å
223	Y	87.5	Confident	92.7	Very high	58 Å²	58	25.2 Å²	25.2	23%	0.227	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	58.6	31.8	179.4	-54.3	-81.6	0	0	0	114.3	F145 K146 V219 G220 E221 P225 A765 D766	F145-Y223 WeakPolarHBondContact O-CD1 3.43Å; K146-Y223 HydrophobicContact CB-CD1 4.24Å; K146-Y223 HydrophobicContact CB-CD2 4.06Å; K146-Y223 HydrophobicContact CB-CE2 4.42Å; K146-Y223 HydrophobicContact CB-CG 3.91Å; K146-Y223 HydrophobicContact CD-CD2 4.13Å; K146-Y223 HydrophobicContact CD-CE2 4.13Å; K146-Y223 HydrophobicContact CG-CD1 4.42Å; K146-Y223 HydrophobicContact CG-CD2 3.77Å; K146-Y223 HydrophobicContact CG-CE1 4.35Å; K146-Y223 HydrophobicContact CG-CE2 3.7Å; K146-Y223 HydrophobicContact CG-CG 4.09Å; V219-Y223 HydrophobicContact CG1-CD1 4.37Å; G220-Y223 WeakPolarHBondContact O-CA 3.36Å; G220-Y223 PolarHBondContact O-N 3.27Å; E221-Y223 VanDerWaalsContact C-N 3.25Å; E221-Y223 PolarHBondContact O-N 3.26Å; Y223-P225 WeakPolarHBondContact O-CD 3.41Å; Y223-A765 HydrophobicContact CD1-CB 3.52Å; Y223-A765 HydrophobicContact CD2-CB 4.46Å; Y223-A765 HydrophobicContact CE1-CB 3.64Å; Y223-A765 HydrophobicContact CG-CB 4.01Å; Y223-D766 WeakPolarHBondContact CE1-OD2 3.23Å; Y223-D766 VanDerWaalsContact CZ-OD1 3.29Å; Y223-D766 VanDerWaalsContact CZ-OD2 3.22Å; Y223-D766 PolarHBondContact OH-OD1 3.05Å; Y223-D766 PolarHBondContact OH-OD2 3.28Å
224	R	88.2	Confident	92.6	Very high	112 Å²	112	25.5 Å²	25.5	42%	0.423	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.3	179.6	-64.6	179.9	-170	-150.3	2.9	110	E41 G220 E221 G222	E41-R224 IonicContact OE1-NH1 3.56Å; G220-R224 PolarHBondContact N-O 2.86Å; G220-R224 PolarHBondContact O-N 2.84Å; E221-R224 WeakPolarHBondContact O-CG 3.44Å; G222-R224 PolarHBondContact O-N 2.94Å
225	P	91.2	Very high	92.5	Very high	22 Å²	22	25.1 Å²	25.1	14%	0.143	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.8	173.9	32	-35.5	0	0	0	109.7	L42 F145 R218 Y223	L42-P225 HydrophobicContact CB-CB 4.02Å; L42-P225 HydrophobicContact CB-CG 4.17Å; L42-P225 HydrophobicContact CD2-CB 4.06Å; L42-P225 HydrophobicContact CD2-CG 4.47Å; L42-P225 PolarHBondContact N-O 2.81Å; F145-P225 HydrophobicContact CD1-CB 4.49Å; F145-P225 HydrophobicContact CD2-CB 3.78Å; F145-P225 HydrophobicContact CD2-CG 3.7Å; F145-P225 HydrophobicContact CE1-CB 4.36Å; F145-P225 HydrophobicContact CE2-CB 3.62Å; F145-P225 HydrophobicContact CE2-CG 3.61Å; F145-P225 HydrophobicContact CG-CB 4.22Å; F145-P225 HydrophobicContact CZ-CB 3.94Å; F145-P225 HydrophobicContact CZ-CG 4.39Å; R218-P225 CarbonylContact O-C 3.55Å; R218-P225 WeakPolarHBondContact O-CA 3.11Å; Y223-P225 WeakPolarHBondContact O-CD 3.41Å
226	M	94.2	Very high	92.5	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.02	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164.2	179.9	-66.6	178	-67.4	0	0	109.7	F39 V40 E41 A217 R218 G220 V420 V762	F39-M226 HydrophobicContact CB-SD 4.3Å; F39-M226 HydrophobicContact CD1-CB 4.07Å; F39-M226 HydrophobicContact CD1-CE 4.28Å; F39-M226 HydrophobicContact CD1-SD 4.39Å; V40-M226 CarbonylContact O-C 3.57Å; V40-M226 VanDerWaalsContact O-CA 3.22Å; V40-M226 WeakPolarHBondContact O-CA 3.46Å; V40-M226 WeakPolarHBondContact O-CB 3.36Å; E41-M226 HydrophobicContact CG-CG 4.32Å; A217-M226 CarbonylContact C-O 3.5Å; A217-M226 WeakPolarHBondContact CA-O 3.31Å; R218-M226 PolarHBondContact N-O 3.25Å; R218-M226 PolarHBondContact O-N 3.06Å; R218-M226 VanDerWaalsContact O-O 3.13Å; G220-M226 VanDerWaalsContact CA-CE 3.43Å; M226-V420 HydrophobicContact SD-CG1 4.47Å; M226-V420 HydrophobicContact SD-CG2 3.98Å; M226-V762 HydrophobicContact CE-CB 4.5Å; M226-V762 HydrophobicContact CE-CG1 4.29Å; M226-V762 HydrophobicContact SD-CG1 4.23Å
227	V	95.4	Very high	92.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.1	171.9	-173.3	0	0	0	0	108.2	F39 V40 L42 L170 L215 I229 I415	F39-V227 WeakPolarHBondContact CA-O 3.49Å; V40-V227 HydrophobicContact CG2-CB 3.99Å; V40-V227 PolarHBondContact N-O 3.3Å; V40-V227 PolarHBondContact O-N 2.94Å; L42-V227 HydrophobicContact CD1-CG2 4.18Å; L170-V227 HydrophobicContact CD1-CG1 3.96Å; L170-V227 HydrophobicContact CD1-CG2 3.72Å; L170-V227 HydrophobicContact CD2-CG2 4.37Å; L215-V227 HydrophobicContact CB-CG1 4.18Å; L215-V227 HydrophobicContact CD2-CG1 4.07Å; V227-I229 HydrophobicContact CG1-CG1 4.11Å; V227-I415 HydrophobicContact CB-CD1 4Å; V227-I415 HydrophobicContact CG1-CD1 4.37Å; V227-I415 HydrophobicContact CG2-CD1 3.82Å
228	N	96.3	Very high	92.7	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.048	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	119.4	169.2	-176.4	-159.9	0	0	0	109.2	N38 F39 L215 S216 H734 A735	N38-N228 PolarHBondContact ND2-ND2 2.92Å; N38-N228 PolarHBondContact O-ND2 3.12Å; N38-N228 PolarHBondContact OD1-ND2 2.81Å; F39-N228 HydrophobicContact CD1-CB 3.99Å; F39-N228 HydrophobicContact CE1-CB 3.7Å; F39-N228 HydrophobicContact CE2-CB 4.31Å; F39-N228 HydrophobicContact CG-CB 4.43Å; F39-N228 HydrophobicContact CZ-CB 3.87Å; L215-N228 WeakPolarHBondContact CA-O 2.93Å; S216-N228 PolarHBondContact N-O 3.47Å; S216-N228 PolarHBondContact O-N 3.47Å; N228-H734 WeakPolarHBondContact OD1-CB 3.48Å; N228-A735 PolarHBondContact OD1-N 3.33Å
229	I	96.2	Very high	92.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125	-178	-52.2	-167.9	0	0	0	109.1	N38 V40 L213 F214 L215 V227 C393 M397 I415	N38-I229 VanDerWaalsContact CB-O 3.27Å; N38-I229 WeakPolarHBondContact CB-O 3.46Å; N38-I229 VanDerWaalsContact CG-O 3.27Å; N38-I229 PolarHBondContact ND2-O 3.4Å; N38-I229 PolarHBondContact O-N 3.32Å; V40-I229 HydrophobicContact CB-CD1 4.48Å; V40-I229 HydrophobicContact CG1-CD1 4.08Å; V40-I229 HydrophobicContact CG2-CD1 3.51Å; V40-I229 HydrophobicContact CG2-CG1 4.05Å; L213-I229 HydrophobicContact CD1-CG2 3.35Å; L213-I229 HydrophobicContact CG-CG2 4.27Å; F214-I229 WeakPolarHBondContact O-CA 3.34Å; L215-I229 HydrophobicContact CD2-CB 4.1Å; L215-I229 HydrophobicContact CD2-CD1 3.99Å; L215-I229 HydrophobicContact CD2-CG1 3.61Å; L215-I229 HydrophobicContact CD2-CG2 3.88Å; V227-I229 HydrophobicContact CG1-CG1 4.11Å; I229-C393 HydrophobicContact CG2-CB 4.18Å; I229-M397 HydrophobicContact CD1-CE 4.06Å; I229-M397 HydrophobicContact CD1-CG 4.09Å; I229-M397 HydrophobicContact CD1-SD 3.47Å; I229-M397 WeakPolarHBondContact CD1-SD 3.31Å; I229-I415 HydrophobicContact CD1-CD1 4.43Å
230	D	96.4	Very high	93	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.011	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.9	179.1	-162.7	22.6	0	0	0	112.4	F214 S232 R389 H734 R736	F214-D230 HydrophobicContact CB-CB 4.35Å; F214-D230 WeakPolarHBondContact CB-O 3.23Å; F214-D230 HydrophobicContact CD1-CB 4.28Å; F214-D230 PolarHBondContact N-O 3.15Å; F214-D230 PolarHBondContact O-N 2.99Å; D230-S232 PolarHBondContact O-N 2.85Å; D230-R389 IonicContact OD1-CZ 3.15Å; D230-R389 IonicContact OD1-NE 3.12Å; D230-R389 PolarHBondContact OD1-NE 3.35Å; D230-R389 IonicContact OD1-NH2 2.85Å; D230-R389 PolarHBondContact OD1-NH2 3.08Å; D230-R389 IonicContact OD2-CZ 3.78Å; D230-R389 IonicContact OD2-NH2 3.08Å; D230-R389 PolarHBondContact OD2-NH2 3.42Å; D230-H734 HydrophobicContact CB-CB 3.93Å; D230-H734 IonicContact OD2-ND1 2.64Å; D230-H734 PolarHBondContact OD2-ND1 2.9Å; D230-R736 IonicContact OD2-CZ 3.88Å; D230-R736 IonicContact OD2-NE 3.43Å; D230-R736 IonicContact OD2-NH2 2.85Å; D230-R736 PolarHBondContact OD2-NH2 3.38Å
231	V	95	Very high	93.3	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124.7	169.9	-177.1	0	0	0	0	108.8	R211 R389 V392 C393 M396	R211-V231 HydrophobicContact CG-CG1 3.73Å; V231-R389 PolarHBondContact O-NH2 3.42Å; V231-V392 HydrophobicContact CG1-CG1 4.43Å; V231-V392 HydrophobicContact CG2-CB 3.9Å; V231-V392 HydrophobicContact CG2-CG1 3.53Å; V231-C393 PolarHBondContact N-SG 3.4Å; V231-M396 HydrophobicContact CG1-SD 4.16Å; V231-M396 HydrophobicContact CG2-SD 4.21Å
232	S	93.4	Very high	93.7	Very high	12 Å²	12	23.9 Å²	23.9	8%	0.084	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.5	173	67.4	0	0	0	0	110.7	S191 Y193 G212 D230	S191-S232 PolarHBondContact OG-OG 3.42Å; Y193-S232 WeakPolarHBondContact CE1-OG 3.37Å; G212-S232 PolarHBondContact N-O 3.4Å; G212-S232 PolarHBondContact O-N 3.11Å; G212-S232 PolarHBondContact O-OG 2.95Å; D230-S232 PolarHBondContact O-N 2.85Å
233	H	93.4	Very high	94.1	Very high	43 Å²	43	21.6 Å²	21.6	20%	0.199	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.6	173.7	-59.8	82.9	0	0	0	108.9	L209 W210	L209-H233 HydrophobicContact CD1-CB 3.88Å; L209-H233 HydrophobicContact CD2-CB 4.38Å; L209-H233 HydrophobicContact CG-CB 4.2Å; W210-H233 VanDerWaalsContact O-CA 3.27Å; W210-H233 WeakPolarHBondContact O-CA 3.38Å
234	A	92.8	Very high	94.5	Very high	7 Å²	7	22 Å²	22	6%	0.058	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.5	173.8	0	0	0	0	0	110.5	Y193 W210 F236	Y193-A234 HydrophobicContact CD1-CB 3.99Å; Y193-A234 HydrophobicContact CE1-CB 3.43Å; Y193-A234 VanDerWaalsContact CE1-CB 3.43Å; Y193-A234 HydrophobicContact CE2-CB 4.02Å; Y193-A234 VanDerWaalsContact CZ-CB 3.43Å; W210-A234 PolarHBondContact N-O 2.95Å; W210-A234 PolarHBondContact O-N 2.9Å; A234-F236 HydrophobicContact CB-CD2 4.4Å; A234-F236 HydrophobicContact CB-CE2 3.79Å; A234-F236 WeakPolarHBondContact O-CD2 3.23Å
235	A	94.1	Very high	94.9	Very high	13 Å²	13	16.9 Å²	16.9	11%	0.107	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136	175.1	0	0	0	0	0	110.1	L203 V207 E208 Y365 L370	L203-A235 HydrophobicContact CD1-CB 4.2Å; V207-A235 HydrophobicContact CG1-CB 3.76Å; E208-A235 CarbonylContact O-C 3.59Å; E208-A235 WeakPolarHBondContact O-CA 3.39Å; A235-Y365 WeakPolarHBondContact O-CB 3.49Å; A235-Y365 PolarHBondContact O-N 3.1Å; A235-L370 HydrophobicContact CB-CD2 4.23Å
236	F	94.7	Very high	95.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.3	175.9	-74	-98.8	0	0	0	109.3	C186 Y193 V207 E208 W210 A234 Q363 R364	C186-F236 HydrophobicContact CB-CE1 4.33Å; C186-F236 HydrophobicContact CB-CZ 4.41Å; Y193-F236 HydrophobicContact CD1-CE2 4.33Å; Y193-F236 HydrophobicContact CD2-CE2 4.18Å; Y193-F236 AromaticContact CD2-CZ 3.97Å; Y193-F236 HydrophobicContact CD2-CZ 3.97Å; Y193-F236 AromaticContact CG-CE2 3.9Å; Y193-F236 HydrophobicContact CG-CE2 3.9Å; Y193-F236 HydrophobicContact CG-CZ 4.06Å; V207-F236 WeakPolarHBondContact CA-O 3.35Å; V207-F236 WeakPolarHBondContact CG1-O 3.02Å; E208-F236 PolarHBondContact N-O 3.3Å; E208-F236 PolarHBondContact O-N 2.93Å; W210-F236 HydrophobicContact CB-CD2 3.69Å; W210-F236 HydrophobicContact CB-CE2 3.86Å; W210-F236 HydrophobicContact CD2-CB 4Å; W210-F236 HydrophobicContact CD2-CD1 4.17Å; W210-F236 AromaticContact CD2-CD2 3.42Å; W210-F236 HydrophobicContact CD2-CD2 3.42Å; W210-F236 VanDerWaalsContact CD2-CD2 3.42Å; W210-F236 AromaticContact CD2-CE2 3.87Å; W210-F236 HydrophobicContact CD2-CE2 3.87Å; W210-F236 AromaticContact CD2-CG 3.6Å; W210-F236 HydrophobicContact CD2-CG 3.6Å; W210-F236 HydrophobicContact CD2-CZ 4.43Å; W210-F236 AromaticContact CE2-CG 3.84Å; W210-F236 AromaticContact CE3-CD1 3.89Å; W210-F236 HydrophobicContact CE3-CD1 3.89Å; W210-F236 AromaticContact CE3-CD2 3.63Å; W210-F236 HydrophobicContact CE3-CD2 3.63Å; W210-F236 AromaticContact CE3-CE1 3.91Å; W210-F236 HydrophobicContact CE3-CE1 3.91Å; W210-F236 AromaticContact CE3-CE2 3.63Å; W210-F236 HydrophobicContact CE3-CE2 3.63Å; W210-F236 AromaticContact CE3-CG 3.77Å; W210-F236 HydrophobicContact CE3-CG 3.77Å; W210-F236 AromaticContact CE3-CZ 3.78Å; W210-F236 HydrophobicContact CE3-CZ 3.78Å; W210-F236 HydrophobicContact CG-CB 4.3Å; W210-F236 AromaticContact CG-CD2 3.47Å; W210-F236 HydrophobicContact CG-CD2 3.47Å; W210-F236 VanDerWaalsContact CG-CD2 3.47Å; W210-F236 HydrophobicContact CG-CE2 4.01Å; W210-F236 HydrophobicContact CG-CG 4.03Å; W210-F236 HydrophobicContact CH2-CD1 4.15Å; W210-F236 HydrophobicContact CH2-CG 4.39Å; W210-F236 HydrophobicContact CZ2-CB 4.14Å; W210-F236 HydrophobicContact CZ2-CD1 4.41Å; W210-F236 HydrophobicContact CZ2-CG 4.25Å; W210-F236 AromaticContact CZ3-CD1 3.87Å; W210-F236 HydrophobicContact CZ3-CD1 3.87Å; W210-F236 HydrophobicContact CZ3-CD2 4.44Å; W210-F236 AromaticContact CZ3-CE1 3.91Å; W210-F236 HydrophobicContact CZ3-CE1 3.91Å; W210-F236 HydrophobicContact CZ3-CE2 4.45Å; W210-F236 HydrophobicContact CZ3-CG 4.16Å; W210-F236 HydrophobicContact CZ3-CZ 4.21Å; A234-F236 HydrophobicContact CB-CD2 4.4Å; A234-F236 HydrophobicContact CB-CE2 3.79Å; A234-F236 WeakPolarHBondContact O-CD2 3.23Å; F236-Q363 WeakPolarHBondContact CA-O 3.42Å; F236-Q363 VanDerWaalsContact CD1-C 3.5Å; F236-Q363 WeakPolarHBondContact CD1-O 3.33Å; F236-R364 HydrophobicContact CD1-CB 4.29Å; F236-R364 HydrophobicContact CE1-CB 4Å; F236-R364 HydrophobicContact CZ-CB 4.41Å
237	Y	94.6	Very high	95.2	Very high	6 Å²	6	16.1 Å²	16.1	2%	0.024	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.1	167.2	-68.6	-83.3	0	0	0	109.4	Y245 L285 Q363 Y365 A367	Y237-Y245 HydrophobicContact CD1-CE2 4.06Å; Y237-Y245 HydrophobicContact CE1-CE2 4.3Å; Y237-L285 HydrophobicContact CD1-CD1 3.53Å; Y237-L285 HydrophobicContact CD2-CD1 3.91Å; Y237-L285 HydrophobicContact CE1-CD1 3.5Å; Y237-L285 HydrophobicContact CE2-CD1 3.89Å; Y237-L285 HydrophobicContact CG-CD1 3.71Å; Y237-Q363 HydrophobicContact CD2-CB 4.01Å; Y237-Q363 HydrophobicContact CD2-CG 3.71Å; Y237-Q363 HydrophobicContact CE2-CG 4.08Å; Y237-Q363 PolarHBondContact N-O 3.13Å; Y237-Y365 AromaticContact CD1-CD2 3.93Å; Y237-Y365 HydrophobicContact CD1-CD2 3.93Å; Y237-Y365 HydrophobicContact CD1-CE2 4.4Å; Y237-Y365 HydrophobicContact CD2-CD2 4.3Å; Y237-Y365 AromaticContact CE1-CD2 3.41Å; Y237-Y365 HydrophobicContact CE1-CD2 3.41Å; Y237-Y365 VanDerWaalsContact CE1-CD2 3.41Å; Y237-Y365 AromaticContact CE1-CE2 3.59Å; Y237-Y365 HydrophobicContact CE1-CE2 3.59Å; Y237-Y365 AromaticContact CE2-CD2 3.82Å; Y237-Y365 HydrophobicContact CE2-CD2 3.82Å; Y237-Y365 HydrophobicContact CG-CD2 4.36Å; Y237-Y365 AromaticContact CZ-CD2 3.35Å; Y237-Y365 AromaticContact CZ-CE2 3.72Å; Y237-A367 WeakPolarHBondContact OH-CB 3.42Å
238	R	94.8	Very high	95.2	Very high	39 Å²	39	17.7 Å²	17.7	15%	0.147	10%	0.098	C	C	.	.			trans	-67.7	131.4	174.8	179.9	179.8	-62.4	137.3	18.3	109.5	N202 G206 E208 Q240 D248	N202-R238 PolarHBondContact OD1-NH2 3.05Å; G206-R238 PolarHBondContact O-N 3.43Å; E208-R238 HydrophobicContact CG-CB 4.18Å; E208-R238 IonicContact OE2-NE 3.19Å; R238-Q240 PolarHBondContact O-N 2.87Å; R238-Q240 VanDerWaalsContact O-N 3.15Å; R238-D248 IonicContact NH1-OD2 2.76Å
239	P	92.6	Very high	95.1	Very high	58 Å²	58	17.8 Å²	17.8	38%	0.377	10%	0.099	S	C	.	.			trans	-62.5	111.6	166.4	-21.1	34	0	0	0	110.5	E361	P239-E361 HydrophobicContact CB-CG 4.02Å; P239-E361 HydrophobicContact CG-CG 3.97Å
240	Q	95.3	Very high	95	Very high	29 Å²	29	18.8 Å²	18.8	14%	0.136	11%	0.105	C	C	.	.			trans	-160.7	169.6	179.2	60.5	-173.6	-16.6	0	0	111.2	G206 R238 N244 D248 N358 V359	G206-Q240 VanDerWaalsContact CA-NE2 3.34Å; R238-Q240 PolarHBondContact O-N 2.87Å; R238-Q240 VanDerWaalsContact O-N 3.15Å; Q240-N244 HydrophobicContact CB-CB 4.23Å; Q240-N244 HydrophobicContact CG-CB 4.26Å; Q240-D248 PolarHBondContact NE2-OD2 2.86Å; Q240-D248 PolarHBondContact OE1-OD2 3.46Å; Q240-N358 WeakPolarHBondContact O-CA 3.33Å; Q240-V359 HydrophobicContact CG-CG2 4.35Å; Q240-V359 PolarHBondContact O-N 3.43Å
241	S	96.8	Very high	94.8	Very high	30 Å²	30	19.5 Å²	19.5	21%	0.21	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-62.7	148.8	170	67.8	0	0	0	0	110.9	L243 N244 Y245 N358	S241-L243 PolarHBondContact O-N 3.21Å; S241-N244 PolarHBondContact O-N 3.03Å; S241-N244 VanDerWaalsContact O-N 3.11Å; S241-N244 WeakPolarHBondContact OG-CB 3.36Å; S241-N244 PolarHBondContact OG-N 3.41Å; S241-N244 PolarHBondContact OG-ND2 3Å; S241-Y245 PolarHBondContact O-N 3.49Å; S241-N358 WeakPolarHBondContact CA-OD1 3.45Å
242	V	97.2	Very high	94.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-29.9	176.6	171.7	0	0	0	0	111.1	Y245 I246 V287 L341 V354 C357 V359	V242-Y245 WeakPolarHBondContact O-CB 3.47Å; V242-Y245 PolarHBondContact O-N 2.89Å; V242-I246 HydrophobicContact CG1-CD1 4.03Å; V242-I246 HydrophobicContact CG1-CG1 4.33Å; V242-I246 WeakPolarHBondContact O-CG1 3.46Å; V242-I246 PolarHBondContact O-N 2.82Å; V242-V287 HydrophobicContact CG2-CG1 3.83Å; V242-L341 HydrophobicContact CG1-CD1 4.11Å; V242-L341 HydrophobicContact CG1-CD2 4.39Å; V242-L341 HydrophobicContact CG2-CD1 4.16Å; V242-V354 HydrophobicContact CG1-CB 3.96Å; V242-V354 HydrophobicContact CG1-CG1 3.87Å; V242-C357 HydrophobicContact CB-CB 3.98Å; V242-C357 HydrophobicContact CG2-CB 3.5Å; V242-C357 WeakPolarHBondContact CG2-O 3.47Å; V242-C357 PolarHBondContact N-O 3.32Å; V242-V359 HydrophobicContact CG2-CG2 4.3Å
243	L	96.3	Very high	94.1	Very high	8 Å²	8	25 Å²	25	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-57.6	-47.9	170.5	-72.6	171.5	0	0	0	111.9	S241 Y245 I246 C247 I261 I264 Y335 M338 V354 E355	S241-L243 PolarHBondContact O-N 3.21Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 2.9Å; L243-I246 PolarHBondContact O-N 2.83Å; L243-C247 PolarHBondContact O-N 3.38Å; L243-C247 PolarHBondContact O-SG 2.79Å; L243-C247 VanDerWaalsContact O-SG 3.41Å; L243-I261 HydrophobicContact CB-CD1 3.81Å; L243-I261 HydrophobicContact CB-CG1 4.23Å; L243-I264 HydrophobicContact CD2-CD1 4.02Å; L243-Y335 HydrophobicContact CD1-CD2 3.79Å; L243-Y335 HydrophobicContact CD1-CE2 3.63Å; L243-M338 HydrophobicContact CD2-CE 3.83Å; L243-V354 HydrophobicContact CD2-CB 4.43Å; L243-V354 HydrophobicContact CD2-CG2 3.67Å; L243-V354 HydrophobicContact CG-CG2 4.39Å; L243-E355 HydrophobicContact CD1-CB 4.35Å; L243-E355 HydrophobicContact CD1-CG 4.41Å
244	N	96	Very high	93.7	Very high	66 Å²	66	27.7 Å²	27.7	35%	0.353	15%	0.154	S	C	.	.	H	α-helix	trans	-64.1	-40.6	177	-92.1	-37.6	0	0	0	111	Q240 S241 I246 C247 D248 I261	Q240-N244 HydrophobicContact CB-CB 4.23Å; Q240-N244 HydrophobicContact CG-CB 4.26Å; S241-N244 PolarHBondContact O-N 3.03Å; S241-N244 VanDerWaalsContact O-N 3.11Å; S241-N244 WeakPolarHBondContact OG-CB 3.36Å; S241-N244 PolarHBondContact OG-N 3.41Å; S241-N244 PolarHBondContact OG-ND2 3Å; N244-I246 VanDerWaalsContact C-N 3.32Å; N244-I246 PolarHBondContact O-N 2.81Å; N244-C247 PolarHBondContact O-N 3.26Å; N244-D248 WeakPolarHBondContact O-CB 3.12Å; N244-D248 PolarHBondContact O-N 3.43Å; N244-I261 HydrophobicContact CB-CD1 3.95Å; N244-I261 WeakPolarHBondContact ND2-CD1 3.5Å; N244-I261 WeakPolarHBondContact OD1-CD1 3.27Å; N244-I261 VanDerWaalsContact OD1-CG1 3.29Å; N244-I261 WeakPolarHBondContact OD1-CG1 3.22Å
245	Y	96.3	Very high	93.2	Very high	4 Å²	4	33 Å²	33	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-42.1	175.8	-178	-105.6	0	0	0	112.2	L205 Y237 S241 V242 L243 D248 V249 A281 V282 L285 V359	L205-Y245 WeakPolarHBondContact O-CE2 3.32Å; Y237-Y245 HydrophobicContact CD1-CE2 4.06Å; Y237-Y245 HydrophobicContact CE1-CE2 4.3Å; S241-Y245 PolarHBondContact O-N 3.49Å; V242-Y245 WeakPolarHBondContact O-CB 3.47Å; V242-Y245 PolarHBondContact O-N 2.89Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 2.9Å; Y245-D248 WeakPolarHBondContact O-CB 3.19Å; Y245-D248 PolarHBondContact O-N 3.41Å; Y245-V249 HydrophobicContact CD1-CG2 4.26Å; Y245-V249 HydrophobicContact CD2-CG2 4.42Å; Y245-V249 HydrophobicContact CE1-CG2 3.78Å; Y245-V249 HydrophobicContact CE2-CG2 3.93Å; Y245-V249 VanDerWaalsContact O-CG2 3.29Å; Y245-V249 WeakPolarHBondContact O-CG2 3.35Å; Y245-V249 PolarHBondContact O-N 3.05Å; Y245-A281 HydrophobicContact CE1-CB 4.29Å; Y245-A281 PolarHBondContact OH-O 2.66Å; Y245-V282 HydrophobicContact CD1-CG1 4.23Å; Y245-V282 HydrophobicContact CE1-CG1 3.96Å; Y245-L285 HydrophobicContact CD1-CD2 4.15Å; Y245-L285 HydrophobicContact CE1-CD2 4Å; Y245-V359 HydrophobicContact CD2-CG2 4.41Å; Y245-V359 HydrophobicContact CG-CG2 4.14Å
246	I	96	Very high	92.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-48.1	175.3	-73.5	168.1	0	0	0	110.3	V242 L243 N244 D248 V249 L250 L270 I278 M338 V354	V242-I246 HydrophobicContact CG1-CD1 4.03Å; V242-I246 HydrophobicContact CG1-CG1 4.33Å; V242-I246 WeakPolarHBondContact O-CG1 3.46Å; V242-I246 PolarHBondContact O-N 2.82Å; L243-I246 PolarHBondContact O-N 2.83Å; N244-I246 VanDerWaalsContact C-N 3.32Å; N244-I246 PolarHBondContact O-N 2.81Å; I246-D248 PolarHBondContact O-N 3.09Å; I246-V249 PolarHBondContact O-N 3.01Å; I246-L250 HydrophobicContact CG2-CD1 3.92Å; I246-L250 HydrophobicContact CG2-CG 4.37Å; I246-L250 WeakPolarHBondContact O-CG 3.16Å; I246-L250 PolarHBondContact O-N 3.03Å; I246-L270 HydrophobicContact CG2-CD1 4.34Å; I246-I278 HydrophobicContact CB-CD1 4.17Å; I246-I278 HydrophobicContact CD1-CG2 4.37Å; I246-I278 HydrophobicContact CG1-CD1 4.08Å; I246-I278 HydrophobicContact CG1-CG1 4.42Å; I246-I278 HydrophobicContact CG1-CG2 4.03Å; I246-I278 HydrophobicContact CG2-CD1 3.92Å; I246-I278 HydrophobicContact CG2-CG1 4.13Å; I246-M338 HydrophobicContact CD1-CE 4.49Å; I246-V354 HydrophobicContact CD1-CB 4.09Å; I246-V354 HydrophobicContact CD1-CG1 3.75Å; I246-V354 HydrophobicContact CD1-CG2 4.34Å
247	C	95.8	Very high	92.5	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.054	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-47.3	175.7	-64.2	0	0	0	0	111.6	L243 N244 V249 L250 N251	L243-C247 PolarHBondContact O-N 3.38Å; L243-C247 PolarHBondContact O-SG 2.79Å; L243-C247 VanDerWaalsContact O-SG 3.41Å; N244-C247 PolarHBondContact O-N 3.26Å; C247-V249 VanDerWaalsContact C-N 3.31Å; C247-V249 PolarHBondContact O-N 3.07Å; C247-L250 PolarHBondContact O-N 3.36Å; C247-N251 VanDerWaalsContact O-CB 3.24Å; C247-N251 WeakPolarHBondContact O-CB 3.45Å; C247-N251 PolarHBondContact O-N 2.92Å; C247-N251 PolarHBondContact O-ND2 2.82Å
248	D	94.9	Very high	92.1	Very high	33 Å²	33	48.8 Å²	48.8	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-41.6	177.4	-89.9	-14.7	0	0	0	112.6	G206 R238 Q240 N244 Y245 I246 A252	G206-D248 VanDerWaalsContact CA-OD2 3.28Å; G206-D248 WeakPolarHBondContact CA-OD2 3.44Å; G206-D248 PolarHBondContact N-OD2 3.06Å; R238-D248 IonicContact NH1-OD2 2.76Å; Q240-D248 PolarHBondContact NE2-OD2 2.86Å; Q240-D248 PolarHBondContact OE1-OD2 3.46Å; N244-D248 WeakPolarHBondContact O-CB 3.12Å; N244-D248 PolarHBondContact O-N 3.43Å; Y245-D248 WeakPolarHBondContact O-CB 3.19Å; Y245-D248 PolarHBondContact O-N 3.41Å; I246-D248 PolarHBondContact O-N 3.09Å; D248-A252 PolarHBondContact O-N 2.81Å
249	V	93.9	Very high	91.9	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-70.2	-45.2	179.6	171.6	0	0	0	0	111.2	Y245 I246 C247 A252 I277 I278 A281	Y245-V249 HydrophobicContact CD1-CG2 4.26Å; Y245-V249 HydrophobicContact CD2-CG2 4.42Å; Y245-V249 HydrophobicContact CE1-CG2 3.78Å; Y245-V249 HydrophobicContact CE2-CG2 3.93Å; Y245-V249 VanDerWaalsContact O-CG2 3.29Å; Y245-V249 WeakPolarHBondContact O-CG2 3.35Å; Y245-V249 PolarHBondContact O-N 3.05Å; I246-V249 PolarHBondContact O-N 3.01Å; C247-V249 VanDerWaalsContact C-N 3.31Å; C247-V249 PolarHBondContact O-N 3.07Å; V249-A252 PolarHBondContact O-N 2.86Å; V249-I277 HydrophobicContact CG1-CG2 3.77Å; V249-I278 HydrophobicContact CB-CD1 3.82Å; V249-I278 HydrophobicContact CG1-CD1 3.68Å; V249-A281 HydrophobicContact CG1-CB 3.78Å; V249-A281 HydrophobicContact CG2-CB 3.98Å
250	L	94.4	Very high	91.8	Very high	21 Å²	21	48.9 Å²	48.9	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-69.4	-33.2	-179.8	-66.4	-179.6	0	0	0	112.7	I246 C247 A252 Y259 L270 E274 I277 I278	I246-L250 HydrophobicContact CG2-CD1 3.92Å; I246-L250 HydrophobicContact CG2-CG 4.37Å; I246-L250 WeakPolarHBondContact O-CG 3.16Å; I246-L250 PolarHBondContact O-N 3.03Å; C247-L250 PolarHBondContact O-N 3.36Å; L250-A252 VanDerWaalsContact C-N 3.34Å; L250-Y259 HydrophobicContact CB-CD2 3.6Å; L250-Y259 HydrophobicContact CB-CE2 3.92Å; L250-Y259 HydrophobicContact CB-CG 4.42Å; L250-Y259 HydrophobicContact CD1-CD2 4.11Å; L250-Y259 HydrophobicContact CD1-CE2 4.06Å; L250-Y259 HydrophobicContact CD1-CG 4.45Å; L250-L270 HydrophobicContact CD1-CD2 3.99Å; L250-E274 HydrophobicContact CD2-CB 3.89Å; L250-E274 HydrophobicContact CD2-CG 3.93Å; L250-I277 HydrophobicContact CD2-CG2 4.37Å; L250-I278 HydrophobicContact CD2-CD1 3.92Å; L250-I278 HydrophobicContact CD2-CG1 3.98Å; L250-I278 HydrophobicContact CG-CD1 3.93Å; L250-I278 HydrophobicContact CG-CG1 4.28Å
251	N	93.3	Very high	91.6	Very high	16 Å²	16	49.1 Å²	49.1	9%	0.086	28%	0.275	C	S	.	.	H	α-helix	trans	-72.2	-28.1	175.3	-73	-31.1	0	0	0	112.8	C247 D253 Q254 P257 R258 Y259	C247-N251 VanDerWaalsContact O-CB 3.24Å; C247-N251 WeakPolarHBondContact O-CB 3.45Å; C247-N251 PolarHBondContact O-N 2.92Å; C247-N251 PolarHBondContact O-ND2 2.82Å; N251-D253 PolarHBondContact O-N 3.47Å; N251-D253 VanDerWaalsContact O-N 3.09Å; N251-Q254 VanDerWaalsContact O-CB 3.29Å; N251-Q254 WeakPolarHBondContact O-CB 3.43Å; N251-Q254 WeakPolarHBondContact O-CG 3.41Å; N251-Q254 PolarHBondContact O-N 3.48Å; N251-P257 HydrophobicContact CB-CB 4.39Å; N251-P257 WeakPolarHBondContact ND2-CB 3.31Å; N251-R258 PolarHBondContact OD1-N 3.01Å; N251-Y259 PolarHBondContact ND2-O 2.94Å; N251-Y259 PolarHBondContact OD1-N 2.88Å
252	A	88.4	Confident	91.3	Very high	36 Å²	36	54.9 Å²	54.9	30%	0.298	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	-111.5	-175	0	0	0	0	0	113.1	K204 L205 D248 V249 L250	K204-A252 WeakPolarHBondContact CB-O 3.15Å; L205-A252 HydrophobicContact CD2-CB 3.99Å; D248-A252 PolarHBondContact O-N 2.81Å; V249-A252 PolarHBondContact O-N 2.86Å; L250-A252 VanDerWaalsContact C-N 3.34Å
253	D	84.3	Confident	90.9	Very high	93 Å²	93	60.6 Å²	60.6	50%	0.497	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	9.7	177.1	66.5	-21	0	0	0	113.7	N251 F373	N251-D253 PolarHBondContact O-N 3.47Å; N251-D253 VanDerWaalsContact O-N 3.09Å; D253-F373 HydrophobicContact CB-CD1 4.01Å; D253-F373 HydrophobicContact CB-CD2 4.42Å; D253-F373 HydrophobicContact CB-CE1 4.04Å; D253-F373 HydrophobicContact CB-CE2 4.43Å; D253-F373 HydrophobicContact CB-CG 4.2Å; D253-F373 HydrophobicContact CB-CZ 4.23Å
254	Q	84.5	Confident	90.6	Very high	101 Å²	101	61.3 Å²	61.3	47%	0.472	33%	0.333	S	S	.	.			trans	-62.5	143	-179.6	-64.3	-178.9	14.5	0	0	112.3	N251	N251-Q254 VanDerWaalsContact O-CB 3.29Å; N251-Q254 WeakPolarHBondContact O-CB 3.43Å; N251-Q254 WeakPolarHBondContact O-CG 3.41Å; N251-Q254 PolarHBondContact O-N 3.48Å
255	S	83.8	Confident	90.4	Very high	117 Å²	117	64 Å²	64	82%	0.818	34%	0.344	S	S	*	.	S	Bend	trans	-142	113.3	175.3	-174.2	0	0	0	0	108.9
256	P	86.7	Confident	90.2	Very high	108 Å²	108	67.4 Å²	67.4	70%	0.701	37%	0.368	S	S	*	.	S	Bend	cis	-71.2	160.6	2.6	31.2	-35.9	0	0	0	113.5
257	P	86.3	Confident	90	Very high	86 Å²	86	71.6 Å²	71.6	56%	0.558	39%	0.391	S	S	*	.			trans	-65.9	143.1	174.1	27.9	-33.5	0	0	0	111.3	N251	N251-P257 HydrophobicContact CB-CB 4.39Å; N251-P257 WeakPolarHBondContact ND2-CB 3.31Å
258	R	87.7	Confident	89.8	Confident	157 Å²	157	72.8 Å²	72.8	59%	0.592	40%	0.398	S	S	*	.	S	Bend	trans	-82.5	-31.5	177.5	-178.3	177.1	175.4	-164.9	-3.9	113	N251	N251-R258 PolarHBondContact OD1-N 3.01Å
259	Y	89.2	Confident	89.7	Confident	55 Å²	55	76 Å²	76	22%	0.216	41%	0.408	C	S	.	.			trans	-117.6	132.5	-176.1	-68.9	-76.3	0	0	0	111	L250 N251 E274	L250-Y259 HydrophobicContact CB-CD2 3.6Å; L250-Y259 HydrophobicContact CB-CE2 3.92Å; L250-Y259 HydrophobicContact CB-CG 4.42Å; L250-Y259 HydrophobicContact CD1-CD2 4.11Å; L250-Y259 HydrophobicContact CD1-CE2 4.06Å; L250-Y259 HydrophobicContact CD1-CG 4.45Å; N251-Y259 PolarHBondContact ND2-O 2.94Å; N251-Y259 PolarHBondContact OD1-N 2.88Å; Y259-E274 VanDerWaalsContact CZ-OE1 3.29Å; Y259-E274 PolarHBondContact OH-OE1 2.6Å
260	S	91.5	Very high	89.7	Confident	45 Å²	45	76.5 Å²	76.5	32%	0.315	41%	0.41	S	S	.	.			trans	-127.8	152.8	164.1	-176.3	0	0	0	0	110.1	D262 Q263	S260-D262 PolarHBondContact O-N 3.13Å; S260-D262 PolarHBondContact OG-OD2 2.83Å; S260-Q263 PolarHBondContact O-N 3.44Å
261	I	90.7	Very high	89.7	Confident	34 Å²	34	78.4 Å²	78.4	17%	0.174	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-57.3	-39.1	174	-75.2	-168	0	0	0	111.2	L243 N244 Q263 I264	L243-I261 HydrophobicContact CB-CD1 3.81Å; L243-I261 HydrophobicContact CB-CG1 4.23Å; N244-I261 HydrophobicContact CB-CD1 3.95Å; N244-I261 WeakPolarHBondContact ND2-CD1 3.5Å; N244-I261 WeakPolarHBondContact OD1-CD1 3.27Å; N244-I261 VanDerWaalsContact OD1-CG1 3.29Å; N244-I261 WeakPolarHBondContact OD1-CG1 3.22Å; I261-Q263 PolarHBondContact O-N 2.94Å; I261-Q263 VanDerWaalsContact O-N 3.08Å; I261-I264 HydrophobicContact CG1-CD1 4.44Å; I261-I264 WeakPolarHBondContact O-CB 3.24Å; I261-I264 WeakPolarHBondContact O-CG1 3.45Å; I261-I264 PolarHBondContact O-N 3.46Å
262	D	90.3	Very high	89.6	Confident	150 Å²	150	84.3 Å²	84.3	80%	0.802	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-66.1	-15.2	-175.8	-50.5	-50.5	0	0	0	112.9	S260	S260-D262 PolarHBondContact O-N 3.13Å; S260-D262 PolarHBondContact OG-OD2 2.83Å
263	Q	88.8	Confident	89.9	Confident	121 Å²	121	84.7 Å²	84.7	57%	0.565	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-93	-7.8	176.2	-63.8	172	-24.2	0	0	112.7	S260 I261 Q265	S260-Q263 PolarHBondContact O-N 3.44Å; I261-Q263 PolarHBondContact O-N 2.94Å; I261-Q263 VanDerWaalsContact O-N 3.08Å; Q263-Q265 PolarHBondContact O-N 3.44Å
264	I	90.2	Very high	90.4	Very high	22 Å²	22	81.3 Å²	81.3	11%	0.113	45%	0.445	C	S	.	.			trans	-75.5	119.6	177.3	-55.4	178.7	0	0	0	108.3	L243 I261 T268 Y335 M338	L243-I264 HydrophobicContact CD2-CD1 4.02Å; I261-I264 HydrophobicContact CG1-CD1 4.44Å; I261-I264 WeakPolarHBondContact O-CB 3.24Å; I261-I264 WeakPolarHBondContact O-CG1 3.45Å; I261-I264 PolarHBondContact O-N 3.46Å; I264-T268 HydrophobicContact CG2-CG2 4.38Å; I264-Y335 HydrophobicContact CB-CD1 4.36Å; I264-Y335 HydrophobicContact CB-CE1 4.21Å; I264-Y335 HydrophobicContact CG2-CD1 3.53Å; I264-Y335 HydrophobicContact CG2-CE1 3.88Å; I264-Y335 HydrophobicContact CG2-CG 3.94Å; I264-Y335 WeakPolarHBondContact O-CE1 3.31Å; I264-M338 HydrophobicContact CD1-CE 4.44Å; I264-M338 HydrophobicContact CG2-CG 4.27Å; I264-M338 HydrophobicContact CG2-SD 4.42Å
265	Q	92.7	Very high	90.9	Very high	123 Å²	123	77.5 Å²	77.5	58%	0.575	43%	0.427	S	S	*	.			trans	-106.4	167.4	177.6	-63.4	-177.3	-3.1	0	0	110.3	Q263 N267 T268	Q263-Q265 PolarHBondContact O-N 3.44Å; Q265-N267 WeakPolarHBondContact CB-OD1 3.12Å; Q265-N267 PolarHBondContact O-N 3.37Å; Q265-N267 VanDerWaalsContact O-N 3.17Å; Q265-T268 PolarHBondContact N-OG1 2.79Å; Q265-T268 WeakPolarHBondContact O-CB 3.31Å; Q265-T268 PolarHBondContact O-N 3.39Å; Q265-T268 VanDerWaalsContact O-N 3.12Å; Q265-T268 PolarHBondContact O-OG1 3.19Å
266	S	91.5	Very high	91.3	Very high	76 Å²	76	78.1 Å²	78.1	53%	0.531	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.7	179.5	60.5	0	0	0	0	113.4	R334	S266-R334 VanDerWaalsContact CA-O 3.29Å; S266-R334 WeakPolarHBondContact CA-O 3.28Å; S266-R334 WeakPolarHBondContact CB-O 3.5Å
267	N	91.9	Very high	91.6	Very high	90 Å²	90	77.1 Å²	77.1	48%	0.481	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.4	179.9	69	-8.8	0	0	0	114.2	Q265 R269	Q265-N267 WeakPolarHBondContact CB-OD1 3.12Å; Q265-N267 PolarHBondContact O-N 3.37Å; Q265-N267 VanDerWaalsContact O-N 3.17Å; N267-R269 PolarHBondContact O-N 2.9Å
268	T	92.2	Very high	92	Very high	33 Å²	33	73.1 Å²	73.1	20%	0.202	38%	0.377	C	S	.	.			trans	-60.9	131.2	-176.1	-60.3	0	0	0	0	111.3	I264 Q265 R337 M338	I264-T268 HydrophobicContact CG2-CG2 4.38Å; Q265-T268 PolarHBondContact N-OG1 2.79Å; Q265-T268 WeakPolarHBondContact O-CB 3.31Å; Q265-T268 PolarHBondContact O-N 3.39Å; Q265-T268 VanDerWaalsContact O-N 3.12Å; Q265-T268 PolarHBondContact O-OG1 3.19Å; T268-R337 CarbonylContact O-C 3.55Å; T268-R337 VanDerWaalsContact O-CB 3.3Å; T268-R337 WeakPolarHBondContact O-CB 3.49Å; T268-M338 HydrophobicContact CG2-SD 4.13Å
269	R	92.2	Very high	92.2	Very high	102 Å²	102	66.5 Å²	66.5	39%	0.385	36%	0.358	S	S	.	.			trans	-128.1	139.9	176	-70.5	177.5	178.6	-99.6	-13.5	109.1	N267 D306 R337	N267-R269 PolarHBondContact O-N 2.9Å; R269-D306 IonicContact CZ-OD2 2.92Å; R269-D306 IonicContact NH1-OD2 3.56Å; R269-D306 PolarHBondContact NH1-OD2 2.86Å; R269-D306 IonicContact NH2-OD2 2.74Å; R269-D306 PolarHBondContact NH2-OD2 3.27Å; R269-R337 HydrophobicContact CG-CB 3.93Å
270	L	92.7	Very high	92.2	Very high	21 Å²	21	69.1 Å²	69.1	11%	0.11	37%	0.367	C	S	.	.			trans	-82.5	142.7	169.9	-59.9	-174	0	0	0	109.8	I246 L250 E274 L275 I278 M338 P339	I246-L270 HydrophobicContact CG2-CD1 4.34Å; L250-L270 HydrophobicContact CD1-CD2 3.99Å; L270-E274 HydrophobicContact CB-CB 4.13Å; L270-L275 HydrophobicContact CB-CD2 4.02Å; L270-L275 HydrophobicContact CB-CG 3.96Å; L270-L275 HydrophobicContact CD1-CD2 4.27Å; L270-I278 HydrophobicContact CD1-CG1 4.26Å; L270-M338 HydrophobicContact CG-SD 4.43Å; L270-P339 HydrophobicContact CD1-CG 3.83Å; L270-P339 HydrophobicContact CG-CG 4.41Å
271	S	94.3	Very high	92.2	Very high	61 Å²	61	68 Å²	68	43%	0.427	36%	0.36	S	S	.	.			trans	-69.9	161.4	170.8	63.4	0	0	0	0	111.6	G273 E274 L275	S271-G273 PolarHBondContact O-N 3.38Å; S271-E274 WeakPolarHBondContact CB-OE2 3.34Å; S271-E274 PolarHBondContact N-OE2 2.96Å; S271-E274 PolarHBondContact O-N 2.78Å; S271-E274 VanDerWaalsContact OG-CG 3.27Å; S271-E274 WeakPolarHBondContact OG-CG 3.17Å; S271-E274 PolarHBondContact OG-N 3.32Å; S271-E274 PolarHBondContact OG-OE2 3.34Å; S271-L275 WeakPolarHBondContact O-CG 3.45Å; S271-L275 PolarHBondContact O-N 2.95Å
272	D	93	Very high	92.3	Very high	140 Å²	140	66.3 Å²	66.3	75%	0.749	35%	0.352	S	S	*	.	H	α-helix	trans	-57.9	-35.2	178.5	-67.3	-28.4	0	0	0	112.9	K276	D272-K276 WeakPolarHBondContact O-CB 2.96Å; D272-K276 PolarHBondContact O-N 2.97Å
273	G	93.8	Very high	92.3	Very high	44 Å²	44	66 Å²	66	45%	0.454	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.7	0	0	0	0	0	112.4	S271 K276 I277	S271-G273 PolarHBondContact O-N 3.38Å; G273-K276 WeakPolarHBondContact O-CB 3.42Å; G273-K276 PolarHBondContact O-N 3.46Å; G273-I277 WeakPolarHBondContact O-CG1 3.26Å; G273-I277 PolarHBondContact O-N 2.8Å; G273-I277 VanDerWaalsContact O-N 3.13Å
274	E	94.7	Very high	92.3	Very high	22 Å²	22	61.2 Å²	61.2	10%	0.103	33%	0.327	C	S	.	.	H	α-helix	trans	-69.2	-41	178.3	-69.1	164.3	149.3	0	0	111.6	L250 Y259 L270 S271 K276 I277 I278	L250-E274 HydrophobicContact CD2-CB 3.89Å; L250-E274 HydrophobicContact CD2-CG 3.93Å; Y259-E274 VanDerWaalsContact CZ-OE1 3.29Å; Y259-E274 PolarHBondContact OH-OE1 2.6Å; L270-E274 HydrophobicContact CB-CB 4.13Å; S271-E274 WeakPolarHBondContact CB-OE2 3.34Å; S271-E274 PolarHBondContact N-OE2 2.96Å; S271-E274 PolarHBondContact O-N 2.78Å; S271-E274 VanDerWaalsContact OG-CG 3.27Å; S271-E274 WeakPolarHBondContact OG-CG 3.17Å; S271-E274 PolarHBondContact OG-N 3.32Å; S271-E274 PolarHBondContact OG-OE2 3.34Å; E274-K276 VanDerWaalsContact C-N 3.26Å; E274-K276 PolarHBondContact O-N 2.89Å; E274-I277 PolarHBondContact O-N 2.84Å; E274-I277 VanDerWaalsContact O-N 3.14Å; E274-I278 WeakPolarHBondContact O-CG1 3.33Å; E274-I278 PolarHBondContact O-N 2.77Å
275	L	94.9	Very high	92.4	Very high	20 Å²	20	60.2 Å²	60.2	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-40.5	172.7	-72.6	170.6	0	0	0	111.3	L270 S271 G279 I303 A305 P339	L270-L275 HydrophobicContact CB-CD2 4.02Å; L270-L275 HydrophobicContact CB-CG 3.96Å; L270-L275 HydrophobicContact CD1-CD2 4.27Å; S271-L275 WeakPolarHBondContact O-CG 3.45Å; S271-L275 PolarHBondContact O-N 2.95Å; L275-G279 WeakPolarHBondContact O-CA 3.24Å; L275-G279 PolarHBondContact O-N 2.73Å; L275-I303 HydrophobicContact CB-CD1 4.14Å; L275-I303 HydrophobicContact CD2-CD1 3.76Å; L275-I303 VanDerWaalsContact O-CD1 3.23Å; L275-I303 WeakPolarHBondContact O-CD1 3.31Å; L275-A305 HydrophobicContact CD1-CB 3.62Å; L275-A305 HydrophobicContact CD2-CB 4.32Å; L275-P339 HydrophobicContact CD2-CB 4.44Å; L275-P339 HydrophobicContact CD2-CG 3.67Å
276	K	93.2	Very high	92.5	Very high	131 Å²	131	56.5 Å²	56.5	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-64.8	-41.5	175.9	-168.4	175.6	-177.3	177.2	0	112.2	D272 G273 E274 R280	D272-K276 WeakPolarHBondContact O-CB 2.96Å; D272-K276 PolarHBondContact O-N 2.97Å; G273-K276 WeakPolarHBondContact O-CB 3.42Å; G273-K276 PolarHBondContact O-N 3.46Å; E274-K276 VanDerWaalsContact C-N 3.26Å; E274-K276 PolarHBondContact O-N 2.89Å; K276-R280 WeakPolarHBondContact O-CG 3.04Å; K276-R280 PolarHBondContact O-N 2.78Å
277	I	92.6	Very high	92.7	Very high	87 Å²	87	52.9 Å²	52.9	45%	0.446	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-51.2	176.4	-66.7	166.6	0	0	0	110.3	V249 L250 G273 E274 R280 A281	V249-I277 HydrophobicContact CG1-CG2 3.77Å; L250-I277 HydrophobicContact CD2-CG2 4.37Å; G273-I277 WeakPolarHBondContact O-CG1 3.26Å; G273-I277 PolarHBondContact O-N 2.8Å; G273-I277 VanDerWaalsContact O-N 3.13Å; E274-I277 PolarHBondContact O-N 2.84Å; E274-I277 VanDerWaalsContact O-N 3.14Å; I277-R280 PolarHBondContact O-N 2.96Å; I277-A281 PolarHBondContact O-N 2.89Å
278	I	94.2	Very high	92.8	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-44.4	-179.8	-66.9	-51.2	0	0	0	111.3	I246 V249 L250 L270 E274 R280 A281 V282	I246-I278 HydrophobicContact CB-CD1 4.17Å; I246-I278 HydrophobicContact CD1-CG2 4.37Å; I246-I278 HydrophobicContact CG1-CD1 4.08Å; I246-I278 HydrophobicContact CG1-CG1 4.42Å; I246-I278 HydrophobicContact CG1-CG2 4.03Å; I246-I278 HydrophobicContact CG2-CD1 3.92Å; I246-I278 HydrophobicContact CG2-CG1 4.13Å; V249-I278 HydrophobicContact CB-CD1 3.82Å; V249-I278 HydrophobicContact CG1-CD1 3.68Å; L250-I278 HydrophobicContact CD2-CD1 3.92Å; L250-I278 HydrophobicContact CD2-CG1 3.98Å; L250-I278 HydrophobicContact CG-CD1 3.93Å; L250-I278 HydrophobicContact CG-CG1 4.28Å; L270-I278 HydrophobicContact CD1-CG1 4.26Å; E274-I278 WeakPolarHBondContact O-CG1 3.33Å; E274-I278 PolarHBondContact O-N 2.77Å; I278-R280 PolarHBondContact O-N 3.39Å; I278-A281 PolarHBondContact O-N 2.95Å; I278-V282 HydrophobicContact CG2-CG1 4.01Å; I278-V282 WeakPolarHBondContact O-CG2 3.12Å; I278-V282 PolarHBondContact O-N 2.81Å
279	G	93	Very high	92.9	Very high	18 Å²	18	49.1 Å²	49.1	19%	0.186	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-36.9	178.7	0	0	0	0	0	112.5	L275 K283	L275-G279 WeakPolarHBondContact O-CA 3.24Å; L275-G279 PolarHBondContact O-N 2.73Å; G279-K283 WeakPolarHBondContact O-CB 3.45Å; G279-K283 PolarHBondContact O-N 3.19Å
280	R	88.4	Confident	93.1	Very high	111 Å²	111	48 Å²	48	42%	0.419	26%	0.262	S	S	.	.	H	α-helix	trans	-68.2	-47	171.5	-71.1	174	179.6	-172.7	-2.3	111.6	K276 I277 I278 K283 D848	K276-R280 WeakPolarHBondContact O-CG 3.04Å; K276-R280 PolarHBondContact O-N 2.78Å; I277-R280 PolarHBondContact O-N 2.96Å; I278-R280 PolarHBondContact O-N 3.39Å; R280-K283 PolarHBondContact O-N 3.15Å; R280-D848 IonicContact NH1-OD1 3.29Å; R280-D848 PolarHBondContact NH1-OD1 3.21Å; R280-D848 PolarHBondContact NH2-O 2.81Å
281	A	91.2	Very high	93.1	Very high	20 Å²	20	48.1 Å²	48.1	17%	0.165	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-39.7	-175	0	0	0	0	0	113.7	Y245 V249 I277 I278	Y245-A281 HydrophobicContact CE1-CB 4.29Å; Y245-A281 PolarHBondContact OH-O 2.66Å; V249-A281 HydrophobicContact CG1-CB 3.78Å; V249-A281 HydrophobicContact CG2-CB 3.98Å; I277-A281 PolarHBondContact O-N 2.89Å; I278-A281 PolarHBondContact O-N 2.95Å
282	V	92.9	Very high	92.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-83.5	-14.3	-178.1	-56.5	0	0	0	0	113.2	Y245 I278 G284 L285 I300 I303 L341	Y245-V282 HydrophobicContact CD1-CG1 4.23Å; Y245-V282 HydrophobicContact CE1-CG1 3.96Å; I278-V282 HydrophobicContact CG2-CG1 4.01Å; I278-V282 WeakPolarHBondContact O-CG2 3.12Å; I278-V282 PolarHBondContact O-N 2.81Å; V282-G284 PolarHBondContact O-N 3.26Å; V282-G284 VanDerWaalsContact O-N 3.17Å; V282-L285 WeakPolarHBondContact O-CB 3.35Å; V282-L285 PolarHBondContact O-N 3.13Å; V282-I300 HydrophobicContact CB-CG2 4.22Å; V282-I300 HydrophobicContact CG2-CG2 3.85Å; V282-I300 WeakPolarHBondContact O-CB 3.48Å; V282-I303 HydrophobicContact CG2-CG2 3.45Å; V282-I303 VanDerWaalsContact CG2-CG2 3.45Å; V282-L341 HydrophobicContact CB-CD2 4.34Å; V282-L341 HydrophobicContact CG1-CD2 4.3Å; V282-L341 HydrophobicContact CG2-CD2 4.16Å
283	K	90.2	Very high	92.3	Very high	142 Å²	142	53.5 Å²	53.5	62%	0.617	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	120.6	-177.8	-170.2	175.4	-175.8	179.2	0	110.7	G279 R280 L285	G279-K283 WeakPolarHBondContact O-CB 3.45Å; G279-K283 PolarHBondContact O-N 3.19Å; R280-K283 PolarHBondContact O-N 3.15Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 3.19Å
284	G	89.1	Confident	91.6	Very high	22 Å²	22	53.5 Å²	53.5	23%	0.227	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-7.2	-176.1	0	0	0	0	0	115	V282 I300	V282-G284 PolarHBondContact O-N 3.26Å; V282-G284 VanDerWaalsContact O-N 3.17Å; G284-I300 WeakPolarHBondContact CA-O 3.36Å; G284-I300 PolarHBondContact N-O 3.44Å
285	L	92.9	Very high	90.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.			trans	-59.6	144.6	170.2	-167.2	69	0	0	0	109.4	Y237 Y245 V282 K283 V287 I300 V359	Y237-L285 HydrophobicContact CD1-CD1 3.53Å; Y237-L285 HydrophobicContact CD2-CD1 3.91Å; Y237-L285 HydrophobicContact CE1-CD1 3.5Å; Y237-L285 HydrophobicContact CE2-CD1 3.89Å; Y237-L285 HydrophobicContact CG-CD1 3.71Å; Y245-L285 HydrophobicContact CD1-CD2 4.15Å; Y245-L285 HydrophobicContact CE1-CD2 4Å; V282-L285 WeakPolarHBondContact O-CB 3.35Å; V282-L285 PolarHBondContact O-N 3.13Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 3.19Å; L285-V287 HydrophobicContact CD2-CG1 4.18Å; L285-V287 HydrophobicContact CG-CG1 4.41Å; L285-I300 PolarHBondContact O-N 3.03Å; L285-V359 HydrophobicContact CD1-CG1 4.01Å; L285-V359 HydrophobicContact CD2-CG1 4.49Å; L285-V359 HydrophobicContact CD2-CG2 4.16Å; L285-V359 HydrophobicContact CG-CG1 4.46Å
286	R	93.3	Very high	90.2	Very high	46 Å²	46	54.5 Å²	54.5	17%	0.174	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.1	171.1	-73.9	180	-65.1	164.6	-3.7	108.7	Q297 Y298 R299 A360 Q363	R286-Q297 HydrophobicContact CB-CB 4.36Å; R286-Y298 CarbonylContact C-O 3.6Å; R286-Y298 VanDerWaalsContact CA-O 3.31Å; R286-Y298 WeakPolarHBondContact CA-O 3.39Å; R286-R299 HydrophobicContact CG-CB 4.43Å; R286-A360 HydrophobicContact CB-CB 3.92Å; R286-A360 VanDerWaalsContact O-CB 3.23Å; R286-A360 WeakPolarHBondContact O-CB 3.39Å; R286-A360 PolarHBondContact O-N 2.97Å; R286-Q363 VanDerWaalsContact NE-NE2 3.19Å
287	V	95.5	Very high	90.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.5	178.3	-57	0	0	0	0	110.7	V242 L285 Q297 Y298 I300 L341 L352 C357 N358	V242-V287 HydrophobicContact CG2-CG1 3.83Å; L285-V287 HydrophobicContact CD2-CG1 4.18Å; L285-V287 HydrophobicContact CG-CG1 4.41Å; V287-Q297 CarbonylContact O-C 3.51Å; V287-Q297 WeakPolarHBondContact O-CA 3.45Å; V287-Y298 PolarHBondContact N-O 3.2Å; V287-Y298 PolarHBondContact O-N 2.74Å; V287-I300 HydrophobicContact CG1-CD1 4.46Å; V287-I300 HydrophobicContact CG1-CG1 4.08Å; V287-I300 HydrophobicContact CG2-CD1 3.61Å; V287-I300 HydrophobicContact CG2-CG1 4.12Å; V287-L341 HydrophobicContact CG1-CD1 3.96Å; V287-L341 HydrophobicContact CG2-CD1 4.1Å; V287-L352 HydrophobicContact CG2-CD1 4.36Å; V287-C357 HydrophobicContact CB-CB 4.39Å; V287-C357 HydrophobicContact CG2-CB 4.48Å; V287-N358 CarbonylContact C-O 3.56Å; V287-N358 WeakPolarHBondContact CA-O 3.48Å; V287-N358 VanDerWaalsContact CB-O 3.27Å; V287-N358 WeakPolarHBondContact CB-O 3.48Å
288	T	95.1	Very high	90.1	Very high	35 Å²	35	46.3 Å²	46.3	22%	0.215	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	165.1	164.2	56.1	0	0	0	0	109.2	Q297 C357 N358 A360	T288-Q297 HydrophobicContact CG2-CG 4Å; T288-C357 WeakPolarHBondContact O-CA 3.18Å; T288-N358 PolarHBondContact N-O 2.95Å; T288-N358 PolarHBondContact O-N 2.95Å; T288-A360 HydrophobicContact CG2-CB 4.36Å
289	V	94.7	Very high	89.9	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.2	-178	-63.9	0	0	0	0	111	H291 Y298 L352 V356	V289-H291 VanDerWaalsContact CB-CE1 3.47Å; V289-H291 WeakPolarHBondContact CB-CE1 3.32Å; V289-Y298 HydrophobicContact CG1-CD2 3.99Å; V289-Y298 HydrophobicContact CG1-CE2 3.83Å; V289-Y298 HydrophobicContact CG2-CE2 4.14Å; V289-L352 HydrophobicContact CG1-CD1 3.87Å; V289-L352 HydrophobicContact CG1-CD2 4Å; V289-L352 HydrophobicContact CG1-CG 4.49Å; V289-V356 CarbonylContact C-O 3.56Å; V289-V356 VanDerWaalsContact CA-O 3.28Å; V289-V356 WeakPolarHBondContact CA-O 3.37Å
290	T	94.8	Very high	90	Very high	77 Å²	77	54 Å²	54	47%	0.472	27%	0.269	S	S	.	.	S	Bend	trans	-103	-23.2	-178.4	56.8	0	0	0	0	113.7	R292 V356 N358	T290-R292 PolarHBondContact O-N 2.81Å; T290-R292 VanDerWaalsContact O-N 3.16Å; T290-V356 PolarHBondContact N-O 2.79Å; T290-V356 VanDerWaalsContact OG1-CA 3.32Å; T290-V356 WeakPolarHBondContact OG1-CA 3.14Å; T290-V356 PolarHBondContact OG1-O 2.96Å; T290-N358 VanDerWaalsContact CG2-ND2 3.3Å; T290-N358 WeakPolarHBondContact CG2-ND2 3.37Å
291	H	92.6	Very high	90.2	Very high	25 Å²	25	51.3 Å²	51.3	12%	0.116	26%	0.263	C	S	.	.	S	Bend	trans	-69	-8.9	-179.7	64.8	-82.6	0	0	0	114.2	V289 F326 Y330 L331 V356	V289-H291 VanDerWaalsContact CB-CE1 3.47Å; V289-H291 WeakPolarHBondContact CB-CE1 3.32Å; H291-F326 HydrophobicContact CB-CE1 4Å; H291-F326 AromaticContact CD2-CE1 3.92Å; H291-F326 AromaticContact CE1-CZ 3.97Å; H291-F326 AromaticContact CG-CE1 3.67Å; H291-F326 AromaticContact ND1-CE1 3.87Å; H291-Y330 AromaticContact CD2-CD2 3.93Å; H291-Y330 AromaticContact CD2-CE2 3.85Å; H291-Y330 AromaticContact CD2-CZ 3.94Å; H291-L331 HydrophobicContact CB-CD2 4.29Å; H291-V356 HydrophobicContact CB-CB 4.28Å; H291-V356 HydrophobicContact CB-CG1 4.24Å
292	R	89.4	Confident	90.3	Very high	102 Å²	102	51 Å²	51	39%	0.385	26%	0.262	S	S	.	.	S	Bend	trans	-141.7	146.6	177.8	-73.6	179.6	-69.2	172.6	-0.4	110	T290 C294 Y330	T290-R292 PolarHBondContact O-N 2.81Å; T290-R292 VanDerWaalsContact O-N 3.16Å; R292-C294 VanDerWaalsContact C-N 3.29Å; R292-C294 PolarHBondContact O-N 3.27Å; R292-Y330 HydrophobicContact CG-CD1 4.45Å; R292-Y330 HydrophobicContact CG-CE1 3.85Å
293	Q	82.3	Confident	90.3	Very high	212 Å²	212	53 Å²	53	99%	0.991	27%	0.271	S	S	*	.	S	Bend	trans	-75.2	81.1	170.3	-67.3	-173.3	-1.8	0	0	110.2
294	C	78.1	Confident	90.5	Very high	44 Å²	44	46.6 Å²	46.6	30%	0.297	25%	0.245	S	C	.	.			trans	-142.7	123.6	179.6	-175.5	0	0	0	0	110.4	R292 A296	R292-C294 VanDerWaalsContact C-N 3.29Å; R292-C294 PolarHBondContact O-N 3.27Å; C294-A296 PolarHBondContact O-N 3.06Å; C294-A296 WeakPolarHBondContact SG-CB 3.41Å
295	G	75.8	Confident	90.5	Very high	59 Å²	59	48.2 Å²	48.2	61%	0.608	26%	0.256	S	S	*	.			trans	-78.1	7.4	176.3	0	0	0	0	0	114.8
296	A	84.3	Confident	90.5	Very high	3 Å²	3	48.8 Å²	48.8	3%	0.025	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-69.3	138.5	-177.9	0	0	0	0	0	111.7	S125 N126 C294 Y298	S125-A296 WeakPolarHBondContact O-CB 3.45Å; N126-A296 HydrophobicContact CB-CB 4.31Å; C294-A296 PolarHBondContact O-N 3.06Å; C294-A296 WeakPolarHBondContact SG-CB 3.41Å; A296-Y298 HydrophobicContact CB-CE2 4.34Å
297	Q	91.3	Very high	90.4	Very high	24 Å²	24	46.6 Å²	46.6	11%	0.112	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-101.7	126.4	176.6	-62.3	-176.9	-4.4	0	0	110.2	L123 R286 V287 T288 A360	L123-Q297 HydrophobicContact CB-CG 4.33Å; L123-Q297 WeakPolarHBondContact O-CB 3.26Å; L123-Q297 PolarHBondContact O-N 3.36Å; R286-Q297 HydrophobicContact CB-CB 4.36Å; V287-Q297 CarbonylContact O-C 3.51Å; V287-Q297 WeakPolarHBondContact O-CA 3.45Å; T288-Q297 HydrophobicContact CG2-CG 4Å; Q297-A360 HydrophobicContact CG-CB 4.02Å
298	Y	92.1	Very high	90.3	Very high	23 Å²	23	48.6 Å²	48.6	9%	0.09	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.1	177.4	-62.4	-92	0	0	0	109.4	R286 V287 V289 A296 A343 I350 L352	R286-Y298 CarbonylContact C-O 3.6Å; R286-Y298 VanDerWaalsContact CA-O 3.31Å; R286-Y298 WeakPolarHBondContact CA-O 3.39Å; V287-Y298 PolarHBondContact N-O 3.2Å; V287-Y298 PolarHBondContact O-N 2.74Å; V289-Y298 HydrophobicContact CG1-CD2 3.99Å; V289-Y298 HydrophobicContact CG1-CE2 3.83Å; V289-Y298 HydrophobicContact CG2-CE2 4.14Å; A296-Y298 HydrophobicContact CB-CE2 4.34Å; Y298-A343 HydrophobicContact CD1-CB 4.33Å; Y298-I350 HydrophobicContact CD1-CD1 4.41Å; Y298-I350 HydrophobicContact CE1-CD1 4.2Å; Y298-L352 HydrophobicContact CD1-CD1 4.31Å; Y298-L352 HydrophobicContact CD2-CD1 4.08Å; Y298-L352 HydrophobicContact CG-CD1 3.88Å
299	R	91.8	Very high	90.2	Very high	178 Å²	178	55.4 Å²	55.4	67%	0.672	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.6	171.4	-177.9	177.9	177.1	165.3	0.7	109.1	R286	R286-R299 HydrophobicContact CG-CB 4.43Å
300	I	94.2	Very high	90.2	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	134.7	-179.3	-55.7	-46.8	0	0	0	110.3	V282 G284 L285 V287 G302 L341 Q342 A343	V282-I300 HydrophobicContact CB-CG2 4.22Å; V282-I300 HydrophobicContact CG2-CG2 3.85Å; V282-I300 WeakPolarHBondContact O-CB 3.48Å; G284-I300 WeakPolarHBondContact CA-O 3.36Å; G284-I300 PolarHBondContact N-O 3.44Å; L285-I300 PolarHBondContact O-N 3.03Å; V287-I300 HydrophobicContact CG1-CD1 4.46Å; V287-I300 HydrophobicContact CG1-CG1 4.08Å; V287-I300 HydrophobicContact CG2-CD1 3.61Å; V287-I300 HydrophobicContact CG2-CG1 4.12Å; I300-G302 VanDerWaalsContact CG2-O 3.28Å; I300-G302 WeakPolarHBondContact CG2-O 3.23Å; I300-L341 HydrophobicContact CD1-CB 3.72Å; I300-L341 HydrophobicContact CD1-CD1 3.89Å; I300-L341 HydrophobicContact CD1-CG 4.4Å; I300-L341 HydrophobicContact CG1-CB 4.34Å; I300-L341 HydrophobicContact CG1-CD1 4.07Å; I300-L341 HydrophobicContact CG2-CB 4.35Å; I300-L341 HydrophobicContact CG2-CD2 4.37Å; I300-Q342 WeakPolarHBondContact CA-O 3.46Å; I300-A343 HydrophobicContact CD1-CB 4.07Å
301	I	92.8	Very high	90.1	Very high	56 Å²	56	57.5 Å²	57.5	29%	0.287	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-18.2	179.6	61.4	166.8	0	0	0	112.7	Q342	I301-Q342 HydrophobicContact CD1-CG 4.06Å; I301-Q342 HydrophobicContact CG1-CB 4.24Å; I301-Q342 HydrophobicContact CG1-CG 3.89Å; I301-Q342 WeakPolarHBondContact CG1-O 3.49Å; I301-Q342 PolarHBondContact N-O 3Å
302	G	92.4	Very high	90.1	Very high	14 Å²	14	58.8 Å²	58.8	14%	0.144	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-169.4	-178.1	0	0	0	0	0	112.5	I300 Q342	I300-G302 VanDerWaalsContact CG2-O 3.28Å; I300-G302 WeakPolarHBondContact CG2-O 3.23Å; G302-Q342 PolarHBondContact N-O 2.84Å; G302-Q342 PolarHBondContact O-N 2.88Å
303	I	94.2	Very high	90.2	Very high	40 Å²	40	58.1 Å²	58.1	21%	0.205	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.3	175.7	66	171.1	0	0	0	109.9	L275 V282 A340 L341	L275-I303 HydrophobicContact CB-CD1 4.14Å; L275-I303 HydrophobicContact CD2-CD1 3.76Å; L275-I303 VanDerWaalsContact O-CD1 3.23Å; L275-I303 WeakPolarHBondContact O-CD1 3.31Å; V282-I303 HydrophobicContact CG2-CG2 3.45Å; V282-I303 VanDerWaalsContact CG2-CG2 3.45Å; I303-A340 CarbonylContact C-O 3.5Å; I303-A340 WeakPolarHBondContact CA-O 3.48Å; I303-L341 HydrophobicContact CG2-CD2 4.19Å
304	A	93.7	Very high	90.4	Very high	8 Å²	8	50.3 Å²	50.3	7%	0.066	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.7	162.9	0	0	0	0	0	108.4	D306 Q310 P339 A340 Y351	A304-D306 VanDerWaalsContact C-N 3.33Å; A304-D306 PolarHBondContact O-N 2.96Å; A304-Q310 HydrophobicContact CB-CB 4.15Å; A304-Q310 HydrophobicContact CB-CG 3.86Å; A304-P339 CarbonylContact O-C 3.56Å; A304-P339 WeakPolarHBondContact O-CA 3.27Å; A304-P339 VanDerWaalsContact O-CB 3.25Å; A304-P339 WeakPolarHBondContact O-CB 3.44Å; A304-A340 HydrophobicContact CB-CB 4.34Å; A304-A340 PolarHBondContact N-O 3.12Å; A304-A340 PolarHBondContact O-N 3.09Å; A304-Y351 HydrophobicContact CB-CD1 4.07Å; A304-Y351 HydrophobicContact CB-CE1 4.05Å
305	A	90.2	Very high	90.8	Very high	56 Å²	56	59.5 Å²	59.5	46%	0.463	30%	0.297	S	S	.	.	S	Bend	trans	-62.8	-34.9	-168.8	0	0	0	0	0	114.5	L275	L275-A305 HydrophobicContact CD1-CB 3.62Å; L275-A305 HydrophobicContact CD2-CB 4.32Å
306	D	92.1	Very high	91.4	Very high	12 Å²	12	62 Å²	62	6%	0.064	30%	0.297	C	S	.	.			trans	-143.6	111.1	-171.9	-175	-18.7	0	0	0	109.6	R269 A304 S308 R309 Q310	R269-D306 IonicContact CZ-OD2 2.92Å; R269-D306 IonicContact NH1-OD2 3.56Å; R269-D306 PolarHBondContact NH1-OD2 2.86Å; R269-D306 IonicContact NH2-OD2 2.74Å; R269-D306 PolarHBondContact NH2-OD2 3.27Å; A304-D306 VanDerWaalsContact C-N 3.33Å; A304-D306 PolarHBondContact O-N 2.96Å; D306-S308 VanDerWaalsContact CG-OG 3.31Å; D306-S308 PolarHBondContact O-N 3.34Å; D306-S308 WeakPolarHBondContact OD1-CB 3.35Å; D306-S308 PolarHBondContact OD1-N 3.41Å; D306-S308 PolarHBondContact OD1-OG 3.44Å; D306-S308 PolarHBondContact OD2-OG 3.24Å; D306-R309 HydrophobicContact CB-CB 4.26Å; D306-R309 HydrophobicContact CB-CG 4.46Å; D306-R309 PolarHBondContact O-N 2.93Å; D306-R309 VanDerWaalsContact O-N 3.14Å; D306-R309 IonicContact OD2-NE 3.57Å; D306-Q310 PolarHBondContact O-N 3.3Å
307	A	91.7	Very high	91.5	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.008	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-29.4	-179.1	0	0	0	0	0	112.6	R309 V322 V323 M338 A340	A307-R309 VanDerWaalsContact C-N 3.26Å; A307-R309 PolarHBondContact O-N 2.62Å; A307-V322 HydrophobicContact CB-CG1 4.48Å; A307-V323 HydrophobicContact CB-CG2 4.21Å; A307-M338 WeakPolarHBondContact CB-O 3.45Å; A307-M338 PolarHBondContact N-O 3.15Å; A307-A340 HydrophobicContact CB-CB 4.16Å
308	S	92	Very high	91.5	Very high	41 Å²	41	68.1 Å²	68.1	29%	0.287	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.9	178	71.3	0	0	0	0	113.7	D306 V323 P336	D306-S308 VanDerWaalsContact CG-OG 3.31Å; D306-S308 PolarHBondContact O-N 3.34Å; D306-S308 WeakPolarHBondContact OD1-CB 3.35Å; D306-S308 PolarHBondContact OD1-N 3.41Å; D306-S308 PolarHBondContact OD1-OG 3.44Å; D306-S308 PolarHBondContact OD2-OG 3.24Å; S308-V323 VanDerWaalsContact CA-CG2 3.45Å; S308-P336 WeakPolarHBondContact CB-O 3.41Å; S308-P336 PolarHBondContact N-O 3.09Å
309	R	92.8	Very high	91.6	Very high	179 Å²	179	73.3 Å²	73.3	68%	0.675	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-12.7	179.1	-65.8	-178.9	171.3	-175.7	-3.2	113.3	D306 A307 M311	D306-R309 HydrophobicContact CB-CB 4.26Å; D306-R309 HydrophobicContact CB-CG 4.46Å; D306-R309 PolarHBondContact O-N 2.93Å; D306-R309 VanDerWaalsContact O-N 3.14Å; D306-R309 IonicContact OD2-NE 3.57Å; A307-R309 VanDerWaalsContact C-N 3.26Å; A307-R309 PolarHBondContact O-N 2.62Å; R309-M311 PolarHBondContact O-N 3.15Å
310	Q	94.8	Very high	91.8	Very high	48 Å²	48	65.2 Å²	65.2	22%	0.224	33%	0.329	C	S	.	.			trans	-74.9	110.7	-179.9	-176.3	58	59.3	0	0	109.8	A304 D306 S321 V322 Y351	A304-Q310 HydrophobicContact CB-CB 4.15Å; A304-Q310 HydrophobicContact CB-CG 3.86Å; D306-Q310 PolarHBondContact O-N 3.3Å; Q310-S321 CarbonylContact O-C 3.4Å; Q310-S321 WeakPolarHBondContact O-CA 3.32Å; Q310-V322 HydrophobicContact CB-CG2 4.01Å; Q310-V322 HydrophobicContact CG-CG2 3.9Å; Q310-V322 WeakPolarHBondContact O-CG2 3.34Å; Q310-V322 PolarHBondContact O-N 3.18Å; Q310-Y351 HydrophobicContact CG-CD1 3.89Å; Q310-Y351 HydrophobicContact CG-CD2 3.84Å; Q310-Y351 HydrophobicContact CG-CE1 4.05Å; Q310-Y351 HydrophobicContact CG-CE2 4Å; Q310-Y351 HydrophobicContact CG-CG 3.78Å
311	M	93.9	Very high	91.8	Very high	81 Å²	81	65.4 Å²	65.4	40%	0.399	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	152.9	173.7	-58.8	-59.7	-72.9	0	0	111.1	R309 E319 I320 S321	R309-M311 PolarHBondContact O-N 3.15Å; M311-E319 HydrophobicContact CE-CB 4.07Å; M311-I320 WeakPolarHBondContact CA-O 3.34Å; M311-I320 VanDerWaalsContact CE-C 3.42Å; M311-S321 VanDerWaalsContact SD-CA 3.53Å; M311-S321 PolarHBondContact SD-N 2.83Å
312	F	92	Very high	92	Very high	53 Å²	53	62.8 Å²	62.8	23%	0.232	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.3	165.2	74.4	-76	0	0	0	110.4	M314 I320 V322 Y325 Y351	F312-M314 HydrophobicContact CE2-CG 4.13Å; F312-M314 HydrophobicContact CZ-CG 4.38Å; F312-I320 HydrophobicContact CD1-CG2 4.22Å; F312-I320 WeakPolarHBondContact CD1-O 3.16Å; F312-I320 HydrophobicContact CE1-CG2 3.6Å; F312-I320 HydrophobicContact CE2-CG2 4.38Å; F312-I320 HydrophobicContact CZ-CG2 3.69Å; F312-I320 PolarHBondContact N-O 3.27Å; F312-I320 PolarHBondContact O-N 3.33Å; F312-I320 VanDerWaalsContact O-N 3.1Å; F312-V322 HydrophobicContact CD1-CG2 4.06Å; F312-V322 HydrophobicContact CE1-CG2 4.43Å; F312-Y325 HydrophobicContact CE1-CD1 4.1Å; F312-Y325 AromaticContact CE1-CG 3.91Å; F312-Y325 HydrophobicContact CE1-CG 3.91Å; F312-Y325 AromaticContact CZ-CD1 3.67Å; F312-Y325 HydrophobicContact CZ-CD1 3.67Å; F312-Y325 AromaticContact CZ-CD2 3.86Å; F312-Y325 HydrophobicContact CZ-CD2 3.86Å; F312-Y325 HydrophobicContact CZ-CE1 4.24Å; F312-Y325 HydrophobicContact CZ-CE2 4.44Å; F312-Y325 AromaticContact CZ-CG 3.46Å; F312-Y325 HydrophobicContact CZ-CG 3.46Å; F312-Y325 VanDerWaalsContact CZ-CG 3.46Å; F312-Y351 HydrophobicContact CB-CD2 4.3Å
313	T	90.9	Very high	92.1	Very high	87 Å²	87	63.2 Å²	63.2	53%	0.534	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.3	179.1	-39.2	0	0	0	0	110.5
314	M	88	Confident	92.2	Very high	48 Å²	48	65 Å²	65	24%	0.236	33%	0.326	C	S	.	.			trans	-73.3	170.4	172.5	-72.4	-166.6	70.7	0	0	111.7	F312 D316 G317 R318 I320 Y325	F312-M314 HydrophobicContact CE2-CG 4.13Å; F312-M314 HydrophobicContact CZ-CG 4.38Å; M314-D316 WeakPolarHBondContact CB-OD1 3.35Å; M314-D316 PolarHBondContact O-N 2.89Å; M314-G317 PolarHBondContact O-N 3.46Å; M314-G317 VanDerWaalsContact O-N 3.08Å; M314-R318 WeakPolarHBondContact CB-O 3.25Å; M314-R318 PolarHBondContact N-O 2.89Å; M314-R318 PolarHBondContact SD-NH2 2.9Å; M314-R318 VanDerWaalsContact SD-NH2 3.4Å; M314-I320 HydrophobicContact CG-CG2 3.63Å; M314-I320 HydrophobicContact SD-CD1 4.49Å; M314-I320 HydrophobicContact SD-CG2 3.85Å; M314-Y325 HydrophobicContact CE-CD2 4.23Å; M314-Y325 HydrophobicContact CE-CE2 4.1Å; M314-Y325 HydrophobicContact SD-CD2 4.31Å
315	R	84.8	Confident	92.3	Very high	238 Å²	238	67 Å²	67	90%	0.898	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.9	-179.5	-70.6	-171.8	-173.2	168.6	6.5	113.8
316	D	88.4	Confident	92.6	Very high	112 Å²	112	64.5 Å²	64.5	60%	0.599	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	1.2	175.3	58.3	4.1	0	0	0	112.5	M314 R318	M314-D316 WeakPolarHBondContact CB-OD1 3.35Å; M314-D316 PolarHBondContact O-N 2.89Å; D316-R318 VanDerWaalsContact C-N 3.32Å; D316-R318 WeakPolarHBondContact OD1-CB 3.36Å; D316-R318 PolarHBondContact OD1-N 3.3Å
317	G	88.4	Confident	92.8	Very high	51 Å²	51	70.1 Å²	70.1	53%	0.526	34%	0.335	S	S	.	.	S	Bend	trans	86.3	-6.1	-178.3	0	0	0	0	0	114.6	M314	M314-G317 PolarHBondContact O-N 3.46Å; M314-G317 VanDerWaalsContact O-N 3.08Å
318	R	91.3	Very high	92.9	Very high	104 Å²	104	75.4 Å²	75.4	39%	0.392	36%	0.36	S	S	.	.			trans	-69.2	131.4	178.5	-175.6	170.2	63.8	127.1	1	110.6	M314 D316 E328	M314-R318 WeakPolarHBondContact CB-O 3.25Å; M314-R318 PolarHBondContact N-O 2.89Å; M314-R318 PolarHBondContact SD-NH2 2.9Å; M314-R318 VanDerWaalsContact SD-NH2 3.4Å; D316-R318 VanDerWaalsContact C-N 3.32Å; D316-R318 WeakPolarHBondContact OD1-CB 3.36Å; D316-R318 PolarHBondContact OD1-N 3.3Å; R318-E328 IonicContact CZ-OE2 2.8Å; R318-E328 IonicContact NH1-OE1 3.49Å; R318-E328 PolarHBondContact NH1-OE1 3.09Å; R318-E328 IonicContact NH1-OE2 3.2Å; R318-E328 PolarHBondContact NH1-OE2 2.81Å; R318-E328 IonicContact NH2-OE2 3.35Å; R318-E328 PolarHBondContact NH2-OE2 3.28Å
319	E	93.7	Very high	93	Very high	131 Å²	131	76.7 Å²	76.7	61%	0.612	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	131	167.6	-66.4	-150.9	137.7	0	0	110.4	M311	M311-E319 HydrophobicContact CE-CB 4.07Å
320	I	95	Very high	93.1	Very high	9 Å²	9	71.8 Å²	71.8	5%	0.046	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.1	179.5	-167.7	168	0	0	0	110	M311 F312 M314 D324 E328	M311-I320 WeakPolarHBondContact CA-O 3.34Å; M311-I320 VanDerWaalsContact CE-C 3.42Å; F312-I320 HydrophobicContact CD1-CG2 4.22Å; F312-I320 WeakPolarHBondContact CD1-O 3.16Å; F312-I320 HydrophobicContact CE1-CG2 3.6Å; F312-I320 HydrophobicContact CE2-CG2 4.38Å; F312-I320 HydrophobicContact CZ-CG2 3.69Å; F312-I320 PolarHBondContact N-O 3.27Å; F312-I320 PolarHBondContact O-N 3.33Å; F312-I320 VanDerWaalsContact O-N 3.1Å; M314-I320 HydrophobicContact CG-CG2 3.63Å; M314-I320 HydrophobicContact SD-CD1 4.49Å; M314-I320 HydrophobicContact SD-CG2 3.85Å; I320-D324 HydrophobicContact CD1-CB 4.02Å; I320-D324 HydrophobicContact CG1-CB 3.76Å; I320-E328 WeakPolarHBondContact CD1-OE2 3.3Å
321	S	95.1	Very high	93.1	Very high	4 Å²	4	72.6 Å²	72.6	3%	0.028	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	154.1	172.9	82.7	0	0	0	0	110.6	Q310 M311 V323 D324 Y325	Q310-S321 CarbonylContact O-C 3.4Å; Q310-S321 WeakPolarHBondContact O-CA 3.32Å; M311-S321 VanDerWaalsContact SD-CA 3.53Å; M311-S321 PolarHBondContact SD-N 2.83Å; S321-V323 PolarHBondContact O-N 3.29Å; S321-V323 PolarHBondContact OG-N 3.24Å; S321-D324 WeakPolarHBondContact CB-OD2 3.47Å; S321-D324 PolarHBondContact O-N 3.17Å; S321-D324 WeakPolarHBondContact OG-CB 3.28Å; S321-D324 PolarHBondContact OG-N 3.39Å; S321-D324 PolarHBondContact OG-OD2 3.35Å; S321-Y325 WeakPolarHBondContact O-CB 3.43Å; S321-Y325 PolarHBondContact O-N 3.36Å
322	V	95.8	Very high	93.2	Very high	1 Å²	1	75.6 Å²	75.6	1%	0.006	37%	0.366	C	S	.	.	H	α-helix	trans	-58.4	-39.5	174	172.1	0	0	0	0	110.6	A307 Q310 F312 F326 Y351 P353	A307-V322 HydrophobicContact CB-CG1 4.48Å; Q310-V322 HydrophobicContact CB-CG2 4.01Å; Q310-V322 HydrophobicContact CG-CG2 3.9Å; Q310-V322 WeakPolarHBondContact O-CG2 3.34Å; Q310-V322 PolarHBondContact O-N 3.18Å; F312-V322 HydrophobicContact CD1-CG2 4.06Å; F312-V322 HydrophobicContact CE1-CG2 4.43Å; V322-F326 HydrophobicContact CG1-CD2 4.05Å; V322-F326 HydrophobicContact CG1-CE2 4.23Å; V322-F326 VanDerWaalsContact O-CD2 3.29Å; V322-F326 WeakPolarHBondContact O-CD2 3.3Å; V322-F326 PolarHBondContact O-N 2.94Å; V322-F326 VanDerWaalsContact O-N 3.08Å; V322-Y351 HydrophobicContact CG2-CD2 4.48Å; V322-Y351 HydrophobicContact CG2-CG 4.29Å; V322-P353 HydrophobicContact CG1-CG 3.6Å
323	V	95.7	Very high	93.4	Very high	24 Å²	24	73.6 Å²	73.6	15%	0.145	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-47.7	179.1	170.3	0	0	0	0	111.7	A307 S308 S321 F326 K327 L333 P336	A307-V323 HydrophobicContact CB-CG2 4.21Å; S308-V323 VanDerWaalsContact CA-CG2 3.45Å; S321-V323 PolarHBondContact O-N 3.29Å; S321-V323 PolarHBondContact OG-N 3.24Å; V323-F326 PolarHBondContact O-N 3.38Å; V323-K327 WeakPolarHBondContact O-CB 3.48Å; V323-K327 PolarHBondContact O-N 2.85Å; V323-L333 HydrophobicContact CB-CD1 4.46Å; V323-L333 HydrophobicContact CG2-CD1 3.89Å; V323-P336 HydrophobicContact CG1-CB 4.14Å; V323-P336 HydrophobicContact CG2-CB 3.66Å
324	D	95.5	Very high	93.6	Very high	77 Å²	77	77 Å²	77	41%	0.412	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-40.9	-178.3	-63.1	-42	0	0	0	110.9	I320 S321 F326 K327 E328	I320-D324 HydrophobicContact CD1-CB 4.02Å; I320-D324 HydrophobicContact CG1-CB 3.76Å; S321-D324 WeakPolarHBondContact CB-OD2 3.47Å; S321-D324 PolarHBondContact O-N 3.17Å; S321-D324 WeakPolarHBondContact OG-CB 3.28Å; S321-D324 PolarHBondContact OG-N 3.39Å; S321-D324 PolarHBondContact OG-OD2 3.35Å; D324-F326 VanDerWaalsContact C-N 3.34Å; D324-F326 PolarHBondContact O-N 2.85Å; D324-K327 PolarHBondContact O-N 3.41Å; D324-E328 WeakPolarHBondContact O-CB 3.31Å; D324-E328 WeakPolarHBondContact O-CG 3.33Å; D324-E328 PolarHBondContact O-N 2.66Å
325	Y	95.8	Very high	93.9	Very high	50 Å²	50	76.4 Å²	76.4	20%	0.196	36%	0.356	C	S	.	.	H	α-helix	trans	-59	-44.4	173.9	172.8	-110.8	0	0	0	112.6	F312 M314 S321 E328 T329 Y330	F312-Y325 HydrophobicContact CE1-CD1 4.1Å; F312-Y325 AromaticContact CE1-CG 3.91Å; F312-Y325 HydrophobicContact CE1-CG 3.91Å; F312-Y325 AromaticContact CZ-CD1 3.67Å; F312-Y325 HydrophobicContact CZ-CD1 3.67Å; F312-Y325 AromaticContact CZ-CD2 3.86Å; F312-Y325 HydrophobicContact CZ-CD2 3.86Å; F312-Y325 HydrophobicContact CZ-CE1 4.24Å; F312-Y325 HydrophobicContact CZ-CE2 4.44Å; F312-Y325 AromaticContact CZ-CG 3.46Å; F312-Y325 HydrophobicContact CZ-CG 3.46Å; F312-Y325 VanDerWaalsContact CZ-CG 3.46Å; M314-Y325 HydrophobicContact CE-CD2 4.23Å; M314-Y325 HydrophobicContact CE-CE2 4.1Å; M314-Y325 HydrophobicContact SD-CD2 4.31Å; S321-Y325 WeakPolarHBondContact O-CB 3.43Å; S321-Y325 PolarHBondContact O-N 3.36Å; Y325-E328 PolarHBondContact O-N 2.77Å; Y325-T329 WeakPolarHBondContact CD2-OG1 3.4Å; Y325-T329 HydrophobicContact CE2-CG2 4.22Å; Y325-T329 WeakPolarHBondContact CE2-OG1 3.38Å; Y325-T329 VanDerWaalsContact O-CB 3.24Å; Y325-T329 WeakPolarHBondContact O-CB 3.47Å; Y325-T329 PolarHBondContact O-N 2.56Å; Y325-T329 PolarHBondContact O-OG1 2.93Å; Y325-Y330 HydrophobicContact CD1-CE2 4.48Å; Y325-Y330 HydrophobicContact CE1-CD2 4.39Å; Y325-Y330 AromaticContact CE1-CE2 3.62Å; Y325-Y330 HydrophobicContact CE1-CE2 3.62Å; Y325-Y330 AromaticContact CZ-CE2 3.84Å; Y325-Y330 PolarHBondContact OH-OH 2.89Å; Y325-Y330 VanDerWaalsContact OH-OH 3.1Å
326	F	96.7	Very high	94.4	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-65.1	-40.7	177.2	-95.2	-99.4	0	0	0	111.6	H291 V322 V323 D324 Y330 L331 L333 P353 V356	H291-F326 HydrophobicContact CB-CE1 4Å; H291-F326 AromaticContact CD2-CE1 3.92Å; H291-F326 AromaticContact CE1-CZ 3.97Å; H291-F326 AromaticContact CG-CE1 3.67Å; H291-F326 AromaticContact ND1-CE1 3.87Å; V322-F326 HydrophobicContact CG1-CD2 4.05Å; V322-F326 HydrophobicContact CG1-CE2 4.23Å; V322-F326 VanDerWaalsContact O-CD2 3.29Å; V322-F326 WeakPolarHBondContact O-CD2 3.3Å; V322-F326 PolarHBondContact O-N 2.94Å; V322-F326 VanDerWaalsContact O-N 3.08Å; V323-F326 PolarHBondContact O-N 3.38Å; D324-F326 VanDerWaalsContact C-N 3.34Å; D324-F326 PolarHBondContact O-N 2.85Å; F326-Y330 AromaticContact CD1-CD2 3.89Å; F326-Y330 HydrophobicContact CD1-CD2 3.89Å; F326-Y330 AromaticContact CE1-CD2 3.97Å; F326-Y330 HydrophobicContact CE1-CD2 3.97Å; F326-Y330 HydrophobicContact CG-CD2 4.26Å; F326-Y330 HydrophobicContact CZ-CD2 4.41Å; F326-Y330 CarbonylContact O-C 3.54Å; F326-Y330 WeakPolarHBondContact O-CA 3.39Å; F326-Y330 PolarHBondContact O-N 2.79Å; F326-L331 CarbonylContact C-O 3.16Å; F326-L331 CarbonylContact O-C 3.6Å; F326-L331 PolarHBondContact O-N 2.6Å; F326-L333 HydrophobicContact CB-CD1 4.17Å; F326-L333 HydrophobicContact CB-CG 4.14Å; F326-L333 HydrophobicContact CD1-CD2 4.17Å; F326-L333 HydrophobicContact CG-CD1 4.41Å; F326-L333 HydrophobicContact CG-CD2 4.43Å; F326-P353 HydrophobicContact CD2-CG 3.94Å; F326-P353 HydrophobicContact CE1-CG 4.38Å; F326-P353 VanDerWaalsContact CE2-CD 3.41Å; F326-P353 HydrophobicContact CE2-CG 3.77Å; F326-P353 HydrophobicContact CG-CG 4.31Å; F326-P353 HydrophobicContact CZ-CG 4.01Å; F326-V356 HydrophobicContact CD1-CG1 4.5Å; F326-V356 HydrophobicContact CE1-CB 4.39Å; F326-V356 HydrophobicContact CE1-CG1 4.05Å; F326-V356 HydrophobicContact CE1-CG2 3.78Å; F326-V356 HydrophobicContact CZ-CG2 3.92Å
327	K	95.9	Very high	94.7	Very high	129 Å²	129	66.1 Å²	66.1	56%	0.561	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-43.4	175.8	-172.8	-176.3	177.3	-172.4	0	112.2	V323 D324 L331	V323-K327 WeakPolarHBondContact O-CB 3.48Å; V323-K327 PolarHBondContact O-N 2.85Å; D324-K327 PolarHBondContact O-N 3.41Å; K327-L331 PolarHBondContact N-O 2.85Å
328	E	94.6	Very high	95	Very high	112 Å²	112	63.9 Å²	63.9	52%	0.523	29%	0.289	S	S	.	.	H	α-helix	trans	-69.5	-38.1	178.8	-74	-178.2	-170	0	0	112.5	R318 I320 D324 Y325	R318-E328 IonicContact CZ-OE2 2.8Å; R318-E328 IonicContact NH1-OE1 3.49Å; R318-E328 PolarHBondContact NH1-OE1 3.09Å; R318-E328 IonicContact NH1-OE2 3.2Å; R318-E328 PolarHBondContact NH1-OE2 2.81Å; R318-E328 IonicContact NH2-OE2 3.35Å; R318-E328 PolarHBondContact NH2-OE2 3.28Å; I320-E328 WeakPolarHBondContact CD1-OE2 3.3Å; D324-E328 WeakPolarHBondContact O-CB 3.31Å; D324-E328 WeakPolarHBondContact O-CG 3.33Å; D324-E328 PolarHBondContact O-N 2.66Å; Y325-E328 PolarHBondContact O-N 2.77Å
329	T	94.3	Very high	95.3	Very high	68 Å²	68	59 Å²	59	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-105.2	-31.6	-166.6	-48.1	0	0	0	0	114.2	Y325	Y325-T329 WeakPolarHBondContact CD2-OG1 3.4Å; Y325-T329 HydrophobicContact CE2-CG2 4.22Å; Y325-T329 WeakPolarHBondContact CE2-OG1 3.38Å; Y325-T329 VanDerWaalsContact O-CB 3.24Å; Y325-T329 WeakPolarHBondContact O-CB 3.47Å; Y325-T329 PolarHBondContact O-N 2.56Å; Y325-T329 PolarHBondContact O-OG1 2.93Å
330	Y	94.3	Very high	95.4	Very high	77 Å²	77	52.8 Å²	52.8	30%	0.302	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-77.9	-170.1	-53.9	-66.6	0	0	0	112.5	H291 R292 Y325 F326	H291-Y330 AromaticContact CD2-CD2 3.93Å; H291-Y330 AromaticContact CD2-CE2 3.85Å; H291-Y330 AromaticContact CD2-CZ 3.94Å; R292-Y330 HydrophobicContact CG-CD1 4.45Å; R292-Y330 HydrophobicContact CG-CE1 3.85Å; Y325-Y330 HydrophobicContact CD1-CE2 4.48Å; Y325-Y330 HydrophobicContact CE1-CD2 4.39Å; Y325-Y330 AromaticContact CE1-CE2 3.62Å; Y325-Y330 HydrophobicContact CE1-CE2 3.62Å; Y325-Y330 AromaticContact CZ-CE2 3.84Å; Y325-Y330 PolarHBondContact OH-OH 2.89Å; Y325-Y330 VanDerWaalsContact OH-OH 3.1Å; F326-Y330 AromaticContact CD1-CD2 3.89Å; F326-Y330 HydrophobicContact CD1-CD2 3.89Å; F326-Y330 AromaticContact CE1-CD2 3.97Å; F326-Y330 HydrophobicContact CE1-CD2 3.97Å; F326-Y330 HydrophobicContact CG-CD2 4.26Å; F326-Y330 HydrophobicContact CZ-CD2 4.41Å; F326-Y330 CarbonylContact O-C 3.54Å; F326-Y330 WeakPolarHBondContact O-CA 3.39Å; F326-Y330 PolarHBondContact O-N 2.79Å
331	L	95.3	Very high	95.5	Very high	65 Å²	65	52.4 Å²	52.4	34%	0.34	24%	0.24	S	C	.	.			trans	-154.9	152.9	-171.1	64.6	93.4	0	0	0	110.9	H291 F326 K327 L333 V356	H291-L331 HydrophobicContact CB-CD2 4.29Å; F326-L331 CarbonylContact C-O 3.16Å; F326-L331 CarbonylContact O-C 3.6Å; F326-L331 PolarHBondContact O-N 2.6Å; K327-L331 PolarHBondContact N-O 2.85Å; L331-L333 HydrophobicContact CD1-CD2 4.03Å; L331-L333 PolarHBondContact O-N 2.83Å; L331-V356 HydrophobicContact CD2-CG1 4.48Å
332	Q	96.1	Very high	95.5	Very high	143 Å²	143	54 Å²	54	67%	0.668	25%	0.247	S	C	*	.			trans	-74.9	121.5	171.5	-175.3	168.9	2.1	0	0	110.5
333	L	95.8	Very high	95.4	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.058	25%	0.246	C	C	.	.			trans	-68.4	134.1	179.1	-63.5	171.7	0	0	0	110.8	V323 F326 L331 P353 V356	V323-L333 HydrophobicContact CB-CD1 4.46Å; V323-L333 HydrophobicContact CG2-CD1 3.89Å; F326-L333 HydrophobicContact CB-CD1 4.17Å; F326-L333 HydrophobicContact CB-CG 4.14Å; F326-L333 HydrophobicContact CD1-CD2 4.17Å; F326-L333 HydrophobicContact CG-CD1 4.41Å; F326-L333 HydrophobicContact CG-CD2 4.43Å; L331-L333 HydrophobicContact CD1-CD2 4.03Å; L331-L333 PolarHBondContact O-N 2.83Å; L333-P353 HydrophobicContact CD1-CB 3.87Å; L333-P353 HydrophobicContact CD1-CG 3.59Å; L333-P353 HydrophobicContact CD2-CB 3.89Å; L333-P353 HydrophobicContact CD2-CG 4.03Å; L333-P353 HydrophobicContact CG-CG 4.47Å; L333-V356 HydrophobicContact CD2-CG1 4.1Å
334	R	95	Very high	94.9	Very high	159 Å²	159	54.9 Å²	54.9	60%	0.6	26%	0.261	S	S	*	.	S	Bend	trans	-75.9	-31.5	175.7	-68	179.7	-72	176.3	-2.3	111.8	S266 P336 E355	S266-R334 VanDerWaalsContact CA-O 3.29Å; S266-R334 WeakPolarHBondContact CA-O 3.28Å; S266-R334 WeakPolarHBondContact CB-O 3.5Å; R334-P336 VanDerWaalsContact O-CD 3.23Å; R334-P336 WeakPolarHBondContact O-CD 3.46Å; R334-E355 WeakPolarHBondContact CB-OE1 3.09Å; R334-E355 WeakPolarHBondContact CG-OE1 3.24Å; R334-E355 IonicContact CZ-OE1 2.75Å; R334-E355 PolarHBondContact N-OE1 2.95Å; R334-E355 PolarHBondContact N-OE2 2.9Å; R334-E355 IonicContact NE-OE1 3.11Å; R334-E355 PolarHBondContact NE-OE1 2.81Å; R334-E355 IonicContact NH2-OE1 3.86Å; R334-E355 PolarHBondContact NH2-OE1 2.75Å
335	Y	94.7	Very high	94.4	Very high	35 Å²	35	54 Å²	54	14%	0.137	26%	0.261	C	S	.	.			trans	-119.8	62	-175.8	-40.5	-66.2	0	0	0	111.8	L243 I264 R337 M338 E355	L243-Y335 HydrophobicContact CD1-CD2 3.79Å; L243-Y335 HydrophobicContact CD1-CE2 3.63Å; I264-Y335 HydrophobicContact CB-CD1 4.36Å; I264-Y335 HydrophobicContact CB-CE1 4.21Å; I264-Y335 HydrophobicContact CG2-CD1 3.53Å; I264-Y335 HydrophobicContact CG2-CE1 3.88Å; I264-Y335 HydrophobicContact CG2-CG 3.94Å; I264-Y335 WeakPolarHBondContact O-CE1 3.31Å; Y335-R337 PolarHBondContact O-N 2.82Å; Y335-R337 VanDerWaalsContact O-N 3.11Å; Y335-M338 WeakPolarHBondContact O-CB 3.33Å; Y335-M338 PolarHBondContact O-N 3.18Å; Y335-M338 VanDerWaalsContact O-N 3.07Å; Y335-E355 HydrophobicContact CD2-CB 4.14Å; Y335-E355 HydrophobicContact CD2-CG 3.9Å; Y335-E355 HydrophobicContact CE2-CG 4.15Å; Y335-E355 PolarHBondContact N-OE2 2.84Å
336	P	94.7	Very high	93.6	Very high	30 Å²	30	60.1 Å²	60.1	20%	0.195	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.8	-171.3	27.6	-36.6	0	0	0	113.8	S308 V323 R334	S308-P336 WeakPolarHBondContact CB-O 3.41Å; S308-P336 PolarHBondContact N-O 3.09Å; V323-P336 HydrophobicContact CG1-CB 4.14Å; V323-P336 HydrophobicContact CG2-CB 3.66Å; R334-P336 VanDerWaalsContact O-CD 3.23Å; R334-P336 WeakPolarHBondContact O-CD 3.46Å
337	R	95.1	Very high	92.7	Very high	104 Å²	104	67.5 Å²	67.5	39%	0.392	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.5	178.8	-65.1	-168.6	174.5	-168.5	-3.1	114.5	T268 R269 Y335	T268-R337 CarbonylContact O-C 3.55Å; T268-R337 VanDerWaalsContact O-CB 3.3Å; T268-R337 WeakPolarHBondContact O-CB 3.49Å; R269-R337 HydrophobicContact CG-CB 3.93Å; Y335-R337 PolarHBondContact O-N 2.82Å; Y335-R337 VanDerWaalsContact O-N 3.11Å
338	M	95.4	Very high	92.2	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.025	34%	0.339	C	S	.	.	S	Bend	trans	-74.1	160.2	172.3	-73.9	-68.9	-75.9	0	0	111	L243 I246 I264 T268 L270 A307 Y335 V354	L243-M338 HydrophobicContact CD2-CE 3.83Å; I246-M338 HydrophobicContact CD1-CE 4.49Å; I264-M338 HydrophobicContact CD1-CE 4.44Å; I264-M338 HydrophobicContact CG2-CG 4.27Å; I264-M338 HydrophobicContact CG2-SD 4.42Å; T268-M338 HydrophobicContact CG2-SD 4.13Å; L270-M338 HydrophobicContact CG-SD 4.43Å; A307-M338 WeakPolarHBondContact CB-O 3.45Å; A307-M338 PolarHBondContact N-O 3.15Å; Y335-M338 WeakPolarHBondContact O-CB 3.33Å; Y335-M338 PolarHBondContact O-N 3.18Å; Y335-M338 VanDerWaalsContact O-N 3.07Å; M338-V354 HydrophobicContact CB-CG2 3.78Å; M338-V354 HydrophobicContact CE-CG2 4.36Å
339	P	96	Very high	91.9	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.006	33%	0.326	C	S	.	.			trans	-60.6	156.6	-178.9	-25.5	35.6	0	0	0	113.7	L270 L275 A304 V354	L270-P339 HydrophobicContact CD1-CG 3.83Å; L270-P339 HydrophobicContact CG-CG 4.41Å; L275-P339 HydrophobicContact CD2-CB 4.44Å; L275-P339 HydrophobicContact CD2-CG 3.67Å; A304-P339 CarbonylContact O-C 3.56Å; A304-P339 WeakPolarHBondContact O-CA 3.27Å; A304-P339 VanDerWaalsContact O-CB 3.25Å; A304-P339 WeakPolarHBondContact O-CB 3.44Å; P339-V354 HydrophobicContact CB-CG1 4.42Å; P339-V354 VanDerWaalsContact O-CG1 3.25Å; P339-V354 WeakPolarHBondContact O-CG1 3.45Å; P339-V354 WeakPolarHBondContact O-CG2 3.32Å; P339-V354 PolarHBondContact O-N 3.28Å
340	A	96.8	Very high	91.9	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.2	162.3	0	0	0	0	0	109.8	I303 A304 A307 L352	I303-A340 CarbonylContact C-O 3.5Å; I303-A340 WeakPolarHBondContact CA-O 3.48Å; A304-A340 HydrophobicContact CB-CB 4.34Å; A304-A340 PolarHBondContact N-O 3.12Å; A304-A340 PolarHBondContact O-N 3.09Å; A307-A340 HydrophobicContact CB-CB 4.16Å; A340-L352 CarbonylContact C-O 3.57Å; A340-L352 WeakPolarHBondContact CA-O 3.43Å
341	L	96.9	Very high	91.9	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.3	172.9	-57.5	177.8	0	0	0	109.8	V242 V282 V287 I300 I303 Y351 L352 V354 C357	V242-L341 HydrophobicContact CG1-CD1 4.11Å; V242-L341 HydrophobicContact CG1-CD2 4.39Å; V242-L341 HydrophobicContact CG2-CD1 4.16Å; V282-L341 HydrophobicContact CB-CD2 4.34Å; V282-L341 HydrophobicContact CG1-CD2 4.3Å; V282-L341 HydrophobicContact CG2-CD2 4.16Å; V287-L341 HydrophobicContact CG1-CD1 3.96Å; V287-L341 HydrophobicContact CG2-CD1 4.1Å; I300-L341 HydrophobicContact CD1-CB 3.72Å; I300-L341 HydrophobicContact CD1-CD1 3.89Å; I300-L341 HydrophobicContact CD1-CG 4.4Å; I300-L341 HydrophobicContact CG1-CB 4.34Å; I300-L341 HydrophobicContact CG1-CD1 4.07Å; I300-L341 HydrophobicContact CG2-CB 4.35Å; I300-L341 HydrophobicContact CG2-CD2 4.37Å; I303-L341 HydrophobicContact CG2-CD2 4.19Å; L341-Y351 CarbonylContact O-C 3.51Å; L341-Y351 WeakPolarHBondContact O-CA 3.22Å; L341-L352 HydrophobicContact CB-CB 4.48Å; L341-L352 PolarHBondContact N-O 3.33Å; L341-L352 PolarHBondContact O-N 2.93Å; L341-V354 HydrophobicContact CD2-CG1 3.99Å; L341-V354 HydrophobicContact CG-CG1 3.97Å; L341-C357 HydrophobicContact CD1-CB 4.02Å
342	Q	95.4	Very high	91.9	Very high	37 Å²	37	63.2 Å²	63.2	17%	0.173	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.4	173.3	-170.2	-173.8	14.5	0	0	109.6	I300 I301 G302 S349 I350 Y351	I300-Q342 WeakPolarHBondContact CA-O 3.46Å; I301-Q342 HydrophobicContact CD1-CG 4.06Å; I301-Q342 HydrophobicContact CG1-CB 4.24Å; I301-Q342 HydrophobicContact CG1-CG 3.89Å; I301-Q342 WeakPolarHBondContact CG1-O 3.49Å; I301-Q342 PolarHBondContact N-O 3Å; G302-Q342 PolarHBondContact N-O 2.84Å; G302-Q342 PolarHBondContact O-N 2.88Å; Q342-S349 PolarHBondContact NE2-OG 3.28Å; Q342-I350 CarbonylContact C-O 3.48Å; Q342-I350 WeakPolarHBondContact CA-O 3.12Å; Q342-Y351 HydrophobicContact CB-CD1 4.2Å; Q342-Y351 HydrophobicContact CB-CE1 3.98Å; Q342-Y351 HydrophobicContact CG-CD1 4.29Å; Q342-Y351 HydrophobicContact CG-CE1 3.76Å
343	A	93.1	Very high	92	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	175.6	174.4	0	0	0	0	0	111.1	Y298 I300 I350	Y298-A343 HydrophobicContact CD1-CB 4.33Å; I300-A343 HydrophobicContact CD1-CB 4.07Å; A343-I350 HydrophobicContact CB-CB 4.36Å; A343-I350 PolarHBondContact N-O 3.3Å; A343-I350 PolarHBondContact O-N 3.06Å
344	G	86.7	Confident	92	Very high	44 Å²	44	56.3 Å²	56.3	45%	0.454	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.1	-136.5	-179	0	0	0	0	0	112.2
345	S	84	Confident	92.1	Very high	58 Å²	58	50 Å²	50	41%	0.406	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	161.3	176.4	70.6	0	0	0	0	109.9	N347 R348 S349	S345-N347 PolarHBondContact O-N 2.79Å; S345-R348 PolarHBondContact N-O 3.4Å; S345-R348 CarbonylContact O-C 3.54Å; S345-R348 PolarHBondContact O-N 3.14Å; S345-R348 VanDerWaalsContact O-N 3.13Å; S345-R348 PolarHBondContact OG-N 3.12Å; S345-S349 WeakPolarHBondContact O-CA 3.19Å; S345-S349 PolarHBondContact O-N 2.79Å; S345-S349 VanDerWaalsContact O-N 3.11Å; S345-S349 PolarHBondContact O-OG 2.87Å
346	K	78.2	Confident	92.1	Very high	180 Å²	180	48.5 Å²	48.5	78%	0.783	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-40	176	-69	-174	177.1	-176.8	0	112	S349	K346-S349 PolarHBondContact O-OG 3.24Å; K346-S349 VanDerWaalsContact O-OG 3.12Å
347	N	79.2	Confident	92.3	Very high	158 Å²	158	47 Å²	47	85%	0.845	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-17.5	-177	-58.6	2.6	0	0	0	113.6	S345	S345-N347 PolarHBondContact O-N 2.79Å
348	R	84.8	Confident	92.3	Very high	209 Å²	209	44.9 Å²	44.9	79%	0.789	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	71.9	175.5	-69.1	-173.7	-178.5	174.6	1	108.3	S345	S345-R348 PolarHBondContact N-O 3.4Å; S345-R348 CarbonylContact O-C 3.54Å; S345-R348 PolarHBondContact O-N 3.14Å; S345-R348 VanDerWaalsContact O-N 3.13Å; S345-R348 PolarHBondContact OG-N 3.12Å
349	S	89.1	Confident	92.4	Very high	35 Å²	35	44.8 Å²	44.8	25%	0.245	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	138.9	-176.8	-68.8	0	0	0	0	110.5	Q342 S345 K346	Q342-S349 PolarHBondContact NE2-OG 3.28Å; S345-S349 WeakPolarHBondContact O-CA 3.19Å; S345-S349 PolarHBondContact O-N 2.79Å; S345-S349 VanDerWaalsContact O-N 3.11Å; S345-S349 PolarHBondContact O-OG 2.87Å; K346-S349 PolarHBondContact O-OG 3.24Å; K346-S349 VanDerWaalsContact O-OG 3.12Å
350	I	92.6	Very high	92.2	Very high	64 Å²	64	44.8 Å²	44.8	33%	0.328	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122	171.1	-57.8	172.2	0	0	0	106.3	Y298 Q342 A343 L352	Y298-I350 HydrophobicContact CD1-CD1 4.41Å; Y298-I350 HydrophobicContact CE1-CD1 4.2Å; Q342-I350 CarbonylContact C-O 3.48Å; Q342-I350 WeakPolarHBondContact CA-O 3.12Å; A343-I350 HydrophobicContact CB-CB 4.36Å; A343-I350 PolarHBondContact N-O 3.3Å; A343-I350 PolarHBondContact O-N 3.06Å; I350-L352 HydrophobicContact CG2-CD2 3.94Å; I350-L352 HydrophobicContact CG2-CG 4.11Å
351	Y	95.5	Very high	91.9	Very high	50 Å²	50	50.6 Å²	50.6	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.5	176.5	-63.5	-72	0	0	0	110.2	A304 Q310 F312 V322 L341 Q342	A304-Y351 HydrophobicContact CB-CD1 4.07Å; A304-Y351 HydrophobicContact CB-CE1 4.05Å; Q310-Y351 HydrophobicContact CG-CD1 3.89Å; Q310-Y351 HydrophobicContact CG-CD2 3.84Å; Q310-Y351 HydrophobicContact CG-CE1 4.05Å; Q310-Y351 HydrophobicContact CG-CE2 4Å; Q310-Y351 HydrophobicContact CG-CG 3.78Å; F312-Y351 HydrophobicContact CB-CD2 4.3Å; V322-Y351 HydrophobicContact CG2-CD2 4.48Å; V322-Y351 HydrophobicContact CG2-CG 4.29Å; L341-Y351 CarbonylContact O-C 3.51Å; L341-Y351 WeakPolarHBondContact O-CA 3.22Å; Q342-Y351 HydrophobicContact CB-CD1 4.2Å; Q342-Y351 HydrophobicContact CB-CE1 3.98Å; Q342-Y351 HydrophobicContact CG-CD1 4.29Å; Q342-Y351 HydrophobicContact CG-CE1 3.76Å
352	L	95.8	Very high	91.6	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.2	-178.3	-58.4	173.1	0	0	0	108.9	V287 V289 Y298 A340 L341 I350 V354 C357	V287-L352 HydrophobicContact CG2-CD1 4.36Å; V289-L352 HydrophobicContact CG1-CD1 3.87Å; V289-L352 HydrophobicContact CG1-CD2 4Å; V289-L352 HydrophobicContact CG1-CG 4.49Å; Y298-L352 HydrophobicContact CD1-CD1 4.31Å; Y298-L352 HydrophobicContact CD2-CD1 4.08Å; Y298-L352 HydrophobicContact CG-CD1 3.88Å; A340-L352 CarbonylContact C-O 3.57Å; A340-L352 WeakPolarHBondContact CA-O 3.43Å; L341-L352 HydrophobicContact CB-CB 4.48Å; L341-L352 PolarHBondContact N-O 3.33Å; L341-L352 PolarHBondContact O-N 2.93Å; I350-L352 HydrophobicContact CG2-CD2 3.94Å; I350-L352 HydrophobicContact CG2-CG 4.11Å; L352-V354 PolarHBondContact O-N 3.44Å; L352-C357 VanDerWaalsContact CB-SG 3.55Å
353	P	97.2	Very high	91.3	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.032	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	136.3	173.6	-24.1	31.7	0	0	0	111	V322 F326 L333 E355 V356 C357	V322-P353 HydrophobicContact CG1-CG 3.6Å; F326-P353 HydrophobicContact CD2-CG 3.94Å; F326-P353 HydrophobicContact CE1-CG 4.38Å; F326-P353 VanDerWaalsContact CE2-CD 3.41Å; F326-P353 HydrophobicContact CE2-CG 3.77Å; F326-P353 HydrophobicContact CG-CG 4.31Å; F326-P353 HydrophobicContact CZ-CG 4.01Å; L333-P353 HydrophobicContact CD1-CB 3.87Å; L333-P353 HydrophobicContact CD1-CG 3.59Å; L333-P353 HydrophobicContact CD2-CB 3.89Å; L333-P353 HydrophobicContact CD2-CG 4.03Å; L333-P353 HydrophobicContact CG-CG 4.47Å; P353-E355 PolarHBondContact O-N 3.01Å; P353-E355 VanDerWaalsContact O-N 3.1Å; P353-V356 HydrophobicContact CB-CG2 4.14Å; P353-V356 HydrophobicContact CG-CG2 4.3Å; P353-V356 WeakPolarHBondContact O-CG2 3.3Å; P353-V356 PolarHBondContact O-N 2.65Å; P353-C357 PolarHBondContact O-SG 3.18Å
354	V	96.8	Very high	91.2	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.018	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-59.5	-26.1	-178.2	-68.9	0	0	0	0	112.9	V242 L243 I246 M338 P339 L341 L352 V356 C357	V242-V354 HydrophobicContact CG1-CB 3.96Å; V242-V354 HydrophobicContact CG1-CG1 3.87Å; L243-V354 HydrophobicContact CD2-CB 4.43Å; L243-V354 HydrophobicContact CD2-CG2 3.67Å; L243-V354 HydrophobicContact CG-CG2 4.39Å; I246-V354 HydrophobicContact CD1-CB 4.09Å; I246-V354 HydrophobicContact CD1-CG1 3.75Å; I246-V354 HydrophobicContact CD1-CG2 4.34Å; M338-V354 HydrophobicContact CB-CG2 3.78Å; M338-V354 HydrophobicContact CE-CG2 4.36Å; P339-V354 HydrophobicContact CB-CG1 4.42Å; P339-V354 VanDerWaalsContact O-CG1 3.25Å; P339-V354 WeakPolarHBondContact O-CG1 3.45Å; P339-V354 WeakPolarHBondContact O-CG2 3.32Å; P339-V354 PolarHBondContact O-N 3.28Å; L341-V354 HydrophobicContact CD2-CG1 3.99Å; L341-V354 HydrophobicContact CG-CG1 3.97Å; L352-V354 PolarHBondContact O-N 3.44Å; V354-V356 VanDerWaalsContact C-N 3.27Å; V354-V356 PolarHBondContact O-N 2.8Å; V354-C357 PolarHBondContact O-N 3.44Å
355	E	95.6	Very high	91.3	Very high	27 Å²	27	59.8 Å²	59.8	13%	0.126	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-62	-31.9	176.8	-176.1	176.7	177.7	0	0	113.3	L243 R334 Y335 P353	L243-E355 HydrophobicContact CD1-CB 4.35Å; L243-E355 HydrophobicContact CD1-CG 4.41Å; R334-E355 WeakPolarHBondContact CB-OE1 3.09Å; R334-E355 WeakPolarHBondContact CG-OE1 3.24Å; R334-E355 IonicContact CZ-OE1 2.75Å; R334-E355 PolarHBondContact N-OE1 2.95Å; R334-E355 PolarHBondContact N-OE2 2.9Å; R334-E355 IonicContact NE-OE1 3.11Å; R334-E355 PolarHBondContact NE-OE1 2.81Å; R334-E355 IonicContact NH2-OE1 3.86Å; R334-E355 PolarHBondContact NH2-OE1 2.75Å; Y335-E355 HydrophobicContact CD2-CB 4.14Å; Y335-E355 HydrophobicContact CD2-CG 3.9Å; Y335-E355 HydrophobicContact CE2-CG 4.15Å; Y335-E355 PolarHBondContact N-OE2 2.84Å; P353-E355 PolarHBondContact O-N 3.01Å; P353-E355 VanDerWaalsContact O-N 3.1Å
356	V	96.1	Very high	90.8	Very high	3 Å²	3	60 Å²	60	2%	0.018	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-101.6	18.5	-175.6	-59.2	0	0	0	0	112.9	V289 T290 H291 F326 L331 L333 P353 V354	V289-V356 CarbonylContact C-O 3.56Å; V289-V356 VanDerWaalsContact CA-O 3.28Å; V289-V356 WeakPolarHBondContact CA-O 3.37Å; T290-V356 PolarHBondContact N-O 2.79Å; T290-V356 VanDerWaalsContact OG1-CA 3.32Å; T290-V356 WeakPolarHBondContact OG1-CA 3.14Å; T290-V356 PolarHBondContact OG1-O 2.96Å; H291-V356 HydrophobicContact CB-CB 4.28Å; H291-V356 HydrophobicContact CB-CG1 4.24Å; F326-V356 HydrophobicContact CD1-CG1 4.5Å; F326-V356 HydrophobicContact CE1-CB 4.39Å; F326-V356 HydrophobicContact CE1-CG1 4.05Å; F326-V356 HydrophobicContact CE1-CG2 3.78Å; F326-V356 HydrophobicContact CZ-CG2 3.92Å; L331-V356 HydrophobicContact CD2-CG1 4.48Å; L333-V356 HydrophobicContact CD2-CG1 4.1Å; P353-V356 HydrophobicContact CB-CG2 4.14Å; P353-V356 HydrophobicContact CG-CG2 4.3Å; P353-V356 WeakPolarHBondContact O-CG2 3.3Å; P353-V356 PolarHBondContact O-N 2.65Å; V354-V356 VanDerWaalsContact C-N 3.27Å; V354-V356 PolarHBondContact O-N 2.8Å
357	C	97.1	Very high	90	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.4	-175	-62.8	0	0	0	0	112.1	V242 V287 T288 L341 L352 P353 V354	V242-C357 HydrophobicContact CB-CB 3.98Å; V242-C357 HydrophobicContact CG2-CB 3.5Å; V242-C357 WeakPolarHBondContact CG2-O 3.47Å; V242-C357 PolarHBondContact N-O 3.32Å; V287-C357 HydrophobicContact CB-CB 4.39Å; V287-C357 HydrophobicContact CG2-CB 4.48Å; T288-C357 WeakPolarHBondContact O-CA 3.18Å; L341-C357 HydrophobicContact CD1-CB 4.02Å; L352-C357 VanDerWaalsContact CB-SG 3.55Å; P353-C357 PolarHBondContact O-SG 3.18Å; V354-C357 PolarHBondContact O-N 3.44Å
358	N	97	Very high	89.4	Confident	58 Å²	58	48.2 Å²	48.2	31%	0.31	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.9	170	-70.5	-23.8	0	0	0	110.2	Q240 S241 V287 T288 T290 A360	Q240-N358 WeakPolarHBondContact O-CA 3.33Å; S241-N358 WeakPolarHBondContact CA-OD1 3.45Å; V287-N358 CarbonylContact C-O 3.56Å; V287-N358 WeakPolarHBondContact CA-O 3.48Å; V287-N358 VanDerWaalsContact CB-O 3.27Å; V287-N358 WeakPolarHBondContact CB-O 3.48Å; T288-N358 PolarHBondContact N-O 2.95Å; T288-N358 PolarHBondContact O-N 2.95Å; T290-N358 VanDerWaalsContact CG2-ND2 3.3Å; T290-N358 WeakPolarHBondContact CG2-ND2 3.37Å; N358-A360 PolarHBondContact O-N 3.36Å
359	V	95.7	Very high	88.8	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	126.8	171.5	-178.3	0	0	0	0	109	Q240 V242 Y245 L285	Q240-V359 HydrophobicContact CG-CG2 4.35Å; Q240-V359 PolarHBondContact O-N 3.43Å; V242-V359 HydrophobicContact CG2-CG2 4.3Å; Y245-V359 HydrophobicContact CD2-CG2 4.41Å; Y245-V359 HydrophobicContact CG-CG2 4.14Å; L285-V359 HydrophobicContact CD1-CG1 4.01Å; L285-V359 HydrophobicContact CD2-CG1 4.49Å; L285-V359 HydrophobicContact CD2-CG2 4.16Å; L285-V359 HydrophobicContact CG-CG1 4.46Å
360	A	92.8	Very high	88.6	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-68.1	139.8	-176.6	0	0	0	0	0	111.8	R286 T288 Q297 N358	R286-A360 HydrophobicContact CB-CB 3.92Å; R286-A360 VanDerWaalsContact O-CB 3.23Å; R286-A360 WeakPolarHBondContact O-CB 3.39Å; R286-A360 PolarHBondContact O-N 2.97Å; T288-A360 HydrophobicContact CG2-CB 4.36Å; Q297-A360 HydrophobicContact CG-CB 4.02Å; N358-A360 PolarHBondContact O-N 3.36Å
361	E	90.5	Very high	88.2	Confident	122 Å²	122	46 Å²	46	57%	0.57	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	162.8	178.6	-61.2	-176.9	-178.5	0	0	113.3	P239 Q363	P239-E361 HydrophobicContact CB-CG 4.02Å; P239-E361 HydrophobicContact CG-CG 3.97Å; E361-Q363 PolarHBondContact O-N 3.39Å; E361-Q363 VanDerWaalsContact O-N 3.14Å
362	K	89.4	Confident	87.6	Confident	81 Å²	81	46.4 Å²	46.4	35%	0.352	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	29.7	175.4	-49.7	-173.3	-169.9	-160.5	0	113.3	E183 I195 W210	E183-K362 PolarHBondContact O-NZ 2.82Å; E183-K362 VanDerWaalsContact O-NZ 3.13Å; I195-K362 HydrophobicContact CD1-CD 3.91Å; I195-K362 HydrophobicContact CD1-CG 4.29Å; I195-K362 VanDerWaalsContact CD1-NZ 3.27Å; W210-K362 HydrophobicContact CH2-CG 4.38Å
363	Q	90.5	Very high	87.2	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.075	28%	0.28	C	S	.	.			trans	-95.1	108.4	175.3	-169.3	168.4	34	0	0	110.6	F236 Y237 R286 E361 Y365	F236-Q363 WeakPolarHBondContact CA-O 3.42Å; F236-Q363 VanDerWaalsContact CD1-C 3.5Å; F236-Q363 WeakPolarHBondContact CD1-O 3.33Å; Y237-Q363 HydrophobicContact CD2-CB 4.01Å; Y237-Q363 HydrophobicContact CD2-CG 3.71Å; Y237-Q363 HydrophobicContact CE2-CG 4.08Å; Y237-Q363 PolarHBondContact N-O 3.13Å; R286-Q363 VanDerWaalsContact NE-NE2 3.19Å; E361-Q363 PolarHBondContact O-N 3.39Å; E361-Q363 VanDerWaalsContact O-N 3.14Å; Q363-Y365 PolarHBondContact O-N 3.09Å
364	R	90	Very high	86.8	Confident	132 Å²	132	49.6 Å²	49.6	50%	0.498	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-59.7	134.7	170.7	-172.4	176.8	174.3	-176.3	0.9	109.6	F236 G366	F236-R364 HydrophobicContact CD1-CB 4.29Å; F236-R364 HydrophobicContact CE1-CB 4Å; F236-R364 HydrophobicContact CZ-CB 4.41Å; R364-G366 PolarHBondContact O-N 2.82Å; R364-G366 VanDerWaalsContact O-N 3.14Å
365	Y	89.1	Confident	86.5	Confident	45 Å²	45	52 Å²	52	18%	0.176	29%	0.294	C	S	.	.			trans	-69.1	108.7	175.5	-173.1	-98.1	0	0	0	109.3	V207 A235 Y237 Q363 A367 L370	V207-Y365 HydrophobicContact CG1-CD2 4.21Å; V207-Y365 HydrophobicContact CG1-CG 4.1Å; V207-Y365 HydrophobicContact CG2-CD2 3.47Å; V207-Y365 VanDerWaalsContact CG2-CD2 3.47Å; V207-Y365 HydrophobicContact CG2-CE2 3.5Å; V207-Y365 VanDerWaalsContact CG2-CE2 3.5Å; V207-Y365 HydrophobicContact CG2-CG 4.12Å; A235-Y365 WeakPolarHBondContact O-CB 3.49Å; A235-Y365 PolarHBondContact O-N 3.1Å; Y237-Y365 AromaticContact CD1-CD2 3.93Å; Y237-Y365 HydrophobicContact CD1-CD2 3.93Å; Y237-Y365 HydrophobicContact CD1-CE2 4.4Å; Y237-Y365 HydrophobicContact CD2-CD2 4.3Å; Y237-Y365 AromaticContact CE1-CD2 3.41Å; Y237-Y365 HydrophobicContact CE1-CD2 3.41Å; Y237-Y365 VanDerWaalsContact CE1-CD2 3.41Å; Y237-Y365 AromaticContact CE1-CE2 3.59Å; Y237-Y365 HydrophobicContact CE1-CE2 3.59Å; Y237-Y365 AromaticContact CE2-CD2 3.82Å; Y237-Y365 HydrophobicContact CE2-CD2 3.82Å; Y237-Y365 HydrophobicContact CG-CD2 4.36Å; Y237-Y365 AromaticContact CZ-CD2 3.35Å; Y237-Y365 AromaticContact CZ-CE2 3.72Å; Q363-Y365 PolarHBondContact O-N 3.09Å; Y365-A367 HydrophobicContact CE2-CB 4.47Å; Y365-L370 HydrophobicContact CD1-CD2 3.94Å; Y365-L370 HydrophobicContact CE1-CD2 3.97Å
366	G	74	Confident	86.1	Confident	63 Å²	63	53.6 Å²	53.6	65%	0.649	31%	0.306	S	S	*	.			trans	-126.4	5.3	-176.8	0	0	0	0	0	114.2	R364 G368	R364-G366 PolarHBondContact O-N 2.82Å; R364-G366 VanDerWaalsContact O-N 3.14Å; G366-G368 PolarHBondContact O-N 3.12Å
367	A	61.8	Low	85.9	Confident	60 Å²	60	55 Å²	55	50%	0.496	31%	0.313	S	S	.	.	S	Bend	trans	-76	-2.9	-174.5	0	0	0	0	0	114.6	Y237 Y365	Y237-A367 WeakPolarHBondContact OH-CB 3.42Å; Y365-A367 HydrophobicContact CE2-CB 4.47Å
368	G	66	Low	85.6	Confident	31 Å²	31	56.3 Å²	56.3	32%	0.32	32%	0.321	S	S	.	.	S	Bend	trans	161.5	-175.1	176.9	0	0	0	0	0	113.4	G366	G366-G368 PolarHBondContact O-N 3.12Å
369	K	73.1	Confident	85.2	Confident	176 Å²	176	57.5 Å²	57.5	77%	0.765	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-68.9	136.5	170.7	-166.8	177.6	179.7	-177.7	0	108.7
370	L	84.5	Confident	84.8	Confident	38 Å²	38	65.7 Å²	65.7	20%	0.199	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-56.4	143.5	171	-68.1	176.7	0	0	0	109.8	A235 Y365 Q374 T375 V378	A235-L370 HydrophobicContact CB-CD2 4.23Å; Y365-L370 HydrophobicContact CD1-CD2 3.94Å; Y365-L370 HydrophobicContact CE1-CD2 3.97Å; L370-Q374 HydrophobicContact CB-CB 3.96Å; L370-Q374 HydrophobicContact CD2-CB 4.29Å; L370-T375 PolarHBondContact O-OG1 3.22Å; L370-V378 HydrophobicContact CD1-CG2 3.82Å
371	S	84.2	Confident	84.7	Confident	47 Å²	47	70 Å²	70	33%	0.329	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61.3	162.9	175.8	83.4	0	0	0	0	111.2	F373 Q374 T375	S371-F373 PolarHBondContact O-N 3.18Å; S371-Q374 VanDerWaalsContact N-OE1 3.13Å; S371-Q374 PolarHBondContact O-N 3.42Å; S371-Q374 WeakPolarHBondContact OG-CG 3.38Å; S371-Q374 PolarHBondContact OG-N 3.33Å; S371-T375 WeakPolarHBondContact O-CB 3.4Å; S371-T375 PolarHBondContact O-N 3.28Å; S371-T375 PolarHBondContact O-OG1 2.8Å
372	G	83.2	Confident	84.7	Confident	58 Å²	58	65.6 Å²	65.6	60%	0.598	36%	0.359	S	S	*	.	H	α-helix	trans	-57.8	-38.3	178	0	0	0	0	0	112.9	T376	G372-T376 PolarHBondContact O-N 3.37Å; G372-T376 VanDerWaalsContact O-N 3.07Å; G372-T376 PolarHBondContact O-OG1 2.81Å
373	F	85.6	Confident	84.7	Confident	74 Å²	74	63.5 Å²	63.5	33%	0.325	36%	0.357	S	S	.	.	H	α-helix	trans	-64.8	-50	173.7	166	-96.2	0	0	0	111.8	K204 D253 S371 T375 T376 L377	K204-F373 HydrophobicContact CB-CE1 4.12Å; K204-F373 HydrophobicContact CG-CE1 3.58Å; K204-F373 HydrophobicContact CG-CZ 4.06Å; D253-F373 HydrophobicContact CB-CD1 4.01Å; D253-F373 HydrophobicContact CB-CD2 4.42Å; D253-F373 HydrophobicContact CB-CE1 4.04Å; D253-F373 HydrophobicContact CB-CE2 4.43Å; D253-F373 HydrophobicContact CB-CG 4.2Å; D253-F373 HydrophobicContact CB-CZ 4.23Å; S371-F373 PolarHBondContact O-N 3.18Å; F373-T375 VanDerWaalsContact C-N 3.31Å; F373-T375 PolarHBondContact O-N 3Å; F373-T376 WeakPolarHBondContact O-CA 3.13Å; F373-T376 WeakPolarHBondContact O-CB 3.37Å; F373-T376 PolarHBondContact O-N 3Å; F373-L377 HydrophobicContact CD1-CD1 4.2Å; F373-L377 HydrophobicContact CE1-CD1 3.35Å; F373-L377 HydrophobicContact CE1-CG 4.02Å; F373-L377 HydrophobicContact CE2-CD1 4.27Å; F373-L377 HydrophobicContact CE2-CD2 4.36Å; F373-L377 HydrophobicContact CE2-CG 4.2Å; F373-L377 HydrophobicContact CZ-CD1 3.41Å; F373-L377 VanDerWaalsContact CZ-CD1 3.41Å; F373-L377 HydrophobicContact CZ-CD2 4.18Å; F373-L377 HydrophobicContact CZ-CG 3.84Å; F373-L377 PolarHBondContact O-N 3.48Å
374	Q	90.3	Very high	84.9	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.009	36%	0.359	C	S	.	.	H	α-helix	trans	-59.9	-42.7	178.3	-69.4	-174.1	-54.1	0	0	111.7	L203 K204 L205 L370 S371 T376 L377 V378	L203-Q374 VanDerWaalsContact O-CG 3.23Å; L203-Q374 WeakPolarHBondContact O-CG 3.39Å; L203-Q374 PolarHBondContact O-NE2 2.95Å; K204-Q374 PolarHBondContact O-NE2 3.05Å; L205-Q374 HydrophobicContact CD1-CG 4.48Å; L370-Q374 HydrophobicContact CB-CB 3.96Å; L370-Q374 HydrophobicContact CD2-CB 4.29Å; S371-Q374 VanDerWaalsContact N-OE1 3.13Å; S371-Q374 PolarHBondContact O-N 3.42Å; S371-Q374 WeakPolarHBondContact OG-CG 3.38Å; S371-Q374 PolarHBondContact OG-N 3.33Å; Q374-T376 VanDerWaalsContact C-N 3.27Å; Q374-T376 PolarHBondContact O-N 3.42Å; Q374-L377 WeakPolarHBondContact O-CB 3.44Å; Q374-L377 PolarHBondContact O-N 2.86Å; Q374-L377 VanDerWaalsContact O-N 3.17Å; Q374-V378 WeakPolarHBondContact O-CG2 3.39Å; Q374-V378 PolarHBondContact O-N 3.24Å
375	T	89	Confident	85.2	Confident	53 Å²	53	59.3 Å²	59.3	33%	0.325	35%	0.345	S	S	.	.	H	α-helix	trans	-58.5	-41.3	175.5	-59.9	0	0	0	0	111	L370 S371 F373 V378 I379	L370-T375 PolarHBondContact O-OG1 3.22Å; S371-T375 WeakPolarHBondContact O-CB 3.4Å; S371-T375 PolarHBondContact O-N 3.28Å; S371-T375 PolarHBondContact O-OG1 2.8Å; F373-T375 VanDerWaalsContact C-N 3.31Å; F373-T375 PolarHBondContact O-N 3Å; T375-V378 PolarHBondContact O-N 2.94Å; T375-I379 HydrophobicContact CG2-CD1 3.95Å; T375-I379 VanDerWaalsContact O-CG1 3.25Å; T375-I379 WeakPolarHBondContact O-CG1 3.46Å; T375-I379 PolarHBondContact O-N 3.13Å
376	T	88	Confident	85.6	Confident	61 Å²	61	57.2 Å²	57.2	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-43	176.1	-58.8	0	0	0	0	111.8	G372 F373 Q374 I379 R380	G372-T376 PolarHBondContact O-N 3.37Å; G372-T376 VanDerWaalsContact O-N 3.07Å; G372-T376 PolarHBondContact O-OG1 2.81Å; F373-T376 WeakPolarHBondContact O-CA 3.13Å; F373-T376 WeakPolarHBondContact O-CB 3.37Å; F373-T376 PolarHBondContact O-N 3Å; Q374-T376 VanDerWaalsContact C-N 3.27Å; Q374-T376 PolarHBondContact O-N 3.42Å; T376-I379 PolarHBondContact O-N 3.3Å; T376-R380 WeakPolarHBondContact O-CG 3.38Å; T376-R380 PolarHBondContact O-N 3.12Å
377	L	91.1	Very high	86.7	Confident	33 Å²	33	55.5 Å²	55.5	17%	0.173	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-47.6	173.5	-69.8	-177.4	0	0	0	111.3	L203 F373 Q374 I379 R380 Q381	L203-L377 HydrophobicContact CD2-CB 3.87Å; L203-L377 HydrophobicContact CD2-CD1 4.47Å; F373-L377 HydrophobicContact CD1-CD1 4.2Å; F373-L377 HydrophobicContact CE1-CD1 3.35Å; F373-L377 HydrophobicContact CE1-CG 4.02Å; F373-L377 HydrophobicContact CE2-CD1 4.27Å; F373-L377 HydrophobicContact CE2-CD2 4.36Å; F373-L377 HydrophobicContact CE2-CG 4.2Å; F373-L377 HydrophobicContact CZ-CD1 3.41Å; F373-L377 VanDerWaalsContact CZ-CD1 3.41Å; F373-L377 HydrophobicContact CZ-CD2 4.18Å; F373-L377 HydrophobicContact CZ-CG 3.84Å; F373-L377 PolarHBondContact O-N 3.48Å; Q374-L377 WeakPolarHBondContact O-CB 3.44Å; Q374-L377 PolarHBondContact O-N 2.86Å; Q374-L377 VanDerWaalsContact O-N 3.17Å; L377-I379 VanDerWaalsContact C-N 3.33Å; L377-I379 PolarHBondContact O-N 2.86Å; L377-R380 PolarHBondContact O-N 3.32Å; L377-Q381 WeakPolarHBondContact O-CB 3.49Å; L377-Q381 WeakPolarHBondContact O-CG 3.43Å; L377-Q381 PolarHBondContact O-N 3.37Å
378	V	92.4	Very high	88.3	Confident	28 Å²	28	55.1 Å²	55.1	17%	0.17	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-46.7	176.9	173	0	0	0	0	110.7	L203 L209 L370 Q374 T375 R380 Q381 C382	L203-V378 HydrophobicContact CD1-CG2 3.55Å; L203-V378 HydrophobicContact CD2-CG2 3.7Å; L203-V378 HydrophobicContact CG-CG2 4.29Å; L209-V378 HydrophobicContact CD1-CG1 4.28Å; L209-V378 HydrophobicContact CD1-CG2 4.1Å; L209-V378 HydrophobicContact CD2-CG1 4.48Å; L370-V378 HydrophobicContact CD1-CG2 3.82Å; Q374-V378 WeakPolarHBondContact O-CG2 3.39Å; Q374-V378 PolarHBondContact O-N 3.24Å; T375-V378 PolarHBondContact O-N 2.94Å; V378-R380 PolarHBondContact O-N 3.06Å; V378-Q381 PolarHBondContact O-N 2.93Å; V378-C382 VanDerWaalsContact O-CB 3.28Å; V378-C382 WeakPolarHBondContact O-CB 3.49Å; V378-C382 PolarHBondContact O-N 3.15Å; V378-C382 PolarHBondContact O-SG 2.88Å
379	I	87.9	Confident	89.8	Confident	83 Å²	83	54.9 Å²	54.9	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-46.8	178.9	-70.7	165.3	0	0	0	110.8	T375 T376 L377 Q381 C382 A383	T375-I379 HydrophobicContact CG2-CD1 3.95Å; T375-I379 VanDerWaalsContact O-CG1 3.25Å; T375-I379 WeakPolarHBondContact O-CG1 3.46Å; T375-I379 PolarHBondContact O-N 3.13Å; T376-I379 PolarHBondContact O-N 3.3Å; L377-I379 VanDerWaalsContact C-N 3.33Å; L377-I379 PolarHBondContact O-N 2.86Å; I379-Q381 VanDerWaalsContact C-N 3.28Å; I379-Q381 PolarHBondContact O-N 2.71Å; I379-C382 PolarHBondContact O-N 2.95Å; I379-A383 WeakPolarHBondContact O-CB 3.07Å; I379-A383 PolarHBondContact O-N 3.11Å
380	R	88.1	Confident	90.9	Very high	176 Å²	176	46.6 Å²	46.6	66%	0.664	26%	0.259	S	S	*	.	H	α-helix	trans	-60.4	-38.8	178.5	-73.4	178.2	-176.6	177.8	1.7	112.2	T376 L377 V378	T376-R380 WeakPolarHBondContact O-CG 3.38Å; T376-R380 PolarHBondContact O-N 3.12Å; L377-R380 PolarHBondContact O-N 3.32Å; V378-R380 PolarHBondContact O-N 3.06Å
381	Q	89.3	Confident	91.5	Very high	92 Å²	92	52.1 Å²	52.1	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-80.8	-29.8	-177.1	-65	-67.7	-15.1	0	0	113.3	V201 L209 L377 V378 I379	V201-Q381 HydrophobicContact CG1-CG 3.76Å; L209-Q381 HydrophobicContact CD2-CB 3.99Å; L377-Q381 WeakPolarHBondContact O-CB 3.49Å; L377-Q381 WeakPolarHBondContact O-CG 3.43Å; L377-Q381 PolarHBondContact O-N 3.37Å; V378-Q381 PolarHBondContact O-N 2.93Å; I379-Q381 VanDerWaalsContact C-N 3.28Å; I379-Q381 PolarHBondContact O-N 2.71Å
382	C	90.8	Very high	92	Very high	28 Å²	28	50.5 Å²	50.5	19%	0.189	27%	0.27	C	S	.	.	H	α-helix	trans	-89.4	-22.4	-179	-62.3	0	0	0	0	113.6	V378 I379 M384	V378-C382 VanDerWaalsContact O-CB 3.28Å; V378-C382 WeakPolarHBondContact O-CB 3.49Å; V378-C382 PolarHBondContact O-N 3.15Å; V378-C382 PolarHBondContact O-SG 2.88Å; I379-C382 PolarHBondContact O-N 2.95Å; C382-M384 PolarHBondContact O-N 3.38Å
383	A	90.3	Very high	92.6	Very high	38 Å²	38	47.8 Å²	47.8	31%	0.314	24%	0.241	S	C	.	.			trans	-69.6	112.2	-175	0	0	0	0	0	110.7	I379 Q779	I379-A383 WeakPolarHBondContact O-CB 3.07Å; I379-A383 PolarHBondContact O-N 3.11Å; A383-Q779 HydrophobicContact CB-CG 3.91Å
384	M	94	Very high	93.1	Very high	23 Å²	23	45.2 Å²	45.2	11%	0.113	23%	0.231	C	C	.	.			trans	-128.3	141.4	176.9	-61.1	170.6	-172	0	0	108.7	C382 T388 R389 V392 G780 T781	C382-M384 PolarHBondContact O-N 3.38Å; M384-T388 HydrophobicContact CB-CG2 4.46Å; M384-R389 HydrophobicContact CB-CB 4.29Å; M384-V392 HydrophobicContact SD-CG2 4.27Å; M384-G780 CarbonylContact O-C 3.42Å; M384-G780 WeakPolarHBondContact O-CA 3.22Å; M384-T781 PolarHBondContact O-N 3.42Å; M384-T781 PolarHBondContact O-OG1 3.36Å
385	D	96.3	Very high	93.3	Very high	37 Å²	37	48.4 Å²	48.4	20%	0.198	25%	0.246	C	C	.	.			trans	-61.5	160.3	168.8	64.5	89.3	0	0	0	111.2	P387 T388 R389 G749 R750	D385-P387 VanDerWaalsContact OD1-CD 3.29Å; D385-P387 WeakPolarHBondContact OD1-CD 3.47Å; D385-T388 PolarHBondContact O-N 3.5Å; D385-T388 WeakPolarHBondContact OD1-CB 3.47Å; D385-T388 PolarHBondContact OD1-N 3.46Å; D385-T388 PolarHBondContact OD1-OG1 3.21Å; D385-T388 WeakPolarHBondContact OD2-CB 3.42Å; D385-T388 PolarHBondContact OD2-OG1 2.89Å; D385-R389 WeakPolarHBondContact O-CB 3.38Å; D385-R389 PolarHBondContact O-N 2.85Å; D385-G749 CarbonylContact C-O 3.52Å; D385-G749 VanDerWaalsContact CA-O 3.3Å; D385-G749 WeakPolarHBondContact CA-O 3.33Å; D385-G749 WeakPolarHBondContact CB-O 3.47Å; D385-R750 IonicContact OD1-CZ 2.77Å; D385-R750 IonicContact OD1-NE 2.71Å; D385-R750 PolarHBondContact OD1-NE 3.14Å; D385-R750 IonicContact OD1-NH2 3.72Å; D385-R750 PolarHBondContact OD1-NH2 3.29Å
386	A	96.9	Very high	93.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-48.2	-170.5	0	0	0	0	0	113.4	T388 R389 L390 M738 G749 R750 T781	A386-T388 PolarHBondContact O-N 3.19Å; A386-R389 PolarHBondContact O-N 3.16Å; A386-L390 WeakPolarHBondContact O-CD1 3.47Å; A386-L390 PolarHBondContact O-N 3.29Å; A386-L390 VanDerWaalsContact O-N 3.16Å; A386-M738 HydrophobicContact CB-CB 3.99Å; A386-G749 PolarHBondContact N-O 3.1Å; A386-R750 WeakPolarHBondContact CB-O 3.14Å; A386-T781 HydrophobicContact CB-CG2 3.67Å
387	P	96.9	Very high	93.7	Very high	28 Å²	28	43.4 Å²	43.4	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-42.9	176.7	-23.5	34.1	0	0	0	113.5	D385 R389 L390 K391 M738 R750	D385-P387 VanDerWaalsContact OD1-CD 3.29Å; D385-P387 WeakPolarHBondContact OD1-CD 3.47Å; P387-R389 VanDerWaalsContact C-N 3.3Å; P387-R389 PolarHBondContact O-N 3.36Å; P387-L390 PolarHBondContact O-N 3.24Å; P387-K391 WeakPolarHBondContact O-CB 3.13Å; P387-K391 PolarHBondContact O-N 3.35Å; P387-M738 HydrophobicContact CB-SD 3.97Å; P387-M738 HydrophobicContact CG-SD 4.17Å; P387-R750 HydrophobicContact CG-CB 4.33Å
388	T	96.7	Very high	93.7	Very high	51 Å²	51	49.3 Å²	49.3	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-41.5	176.8	-60.9	0	0	0	0	111	M384 D385 A386 L390 K391 V392	M384-T388 HydrophobicContact CB-CG2 4.46Å; D385-T388 PolarHBondContact O-N 3.5Å; D385-T388 WeakPolarHBondContact OD1-CB 3.47Å; D385-T388 PolarHBondContact OD1-N 3.46Å; D385-T388 PolarHBondContact OD1-OG1 3.21Å; D385-T388 WeakPolarHBondContact OD2-CB 3.42Å; D385-T388 PolarHBondContact OD2-OG1 2.89Å; A386-T388 PolarHBondContact O-N 3.19Å; T388-L390 PolarHBondContact O-N 2.96Å; T388-K391 PolarHBondContact O-N 3.37Å; T388-V392 HydrophobicContact CG2-CG2 4.39Å; T388-V392 VanDerWaalsContact O-CG2 3.31Å; T388-V392 WeakPolarHBondContact O-CG2 3.36Å; T388-V392 PolarHBondContact O-N 2.81Å
389	R	96.4	Very high	93.5	Very high	26 Å²	26	54.1 Å²	54.1	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-46.9	177.1	-176.8	178.1	-173.6	82.1	-4.1	112.3	D230 V231 M384 D385 A386 P387 V392 C393 T781	D230-R389 IonicContact OD1-CZ 3.15Å; D230-R389 IonicContact OD1-NE 3.12Å; D230-R389 PolarHBondContact OD1-NE 3.35Å; D230-R389 IonicContact OD1-NH2 2.85Å; D230-R389 PolarHBondContact OD1-NH2 3.08Å; D230-R389 IonicContact OD2-CZ 3.78Å; D230-R389 IonicContact OD2-NH2 3.08Å; D230-R389 PolarHBondContact OD2-NH2 3.42Å; V231-R389 PolarHBondContact O-NH2 3.42Å; M384-R389 HydrophobicContact CB-CB 4.29Å; D385-R389 WeakPolarHBondContact O-CB 3.38Å; D385-R389 PolarHBondContact O-N 2.85Å; A386-R389 PolarHBondContact O-N 3.16Å; P387-R389 VanDerWaalsContact C-N 3.3Å; P387-R389 PolarHBondContact O-N 3.36Å; R389-V392 PolarHBondContact O-N 3.37Å; R389-C393 PolarHBondContact O-N 3.24Å; R389-C393 PolarHBondContact O-SG 3.45Å; R389-T781 WeakPolarHBondContact CB-OG1 3.41Å; R389-T781 WeakPolarHBondContact CD-OG1 3.22Å
390	L	97	Very high	93.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-40.3	178.6	-93.8	69.2	0	0	0	111.2	V36 N38 A386 P387 T388 V392 C393 M394 F419 R736 M738	V36-L390 HydrophobicContact CB-CD2 4.41Å; V36-L390 HydrophobicContact CG1-CD2 4.05Å; N38-L390 HydrophobicContact CB-CD1 4.32Å; N38-L390 HydrophobicContact CB-CG 4.27Å; A386-L390 WeakPolarHBondContact O-CD1 3.47Å; A386-L390 PolarHBondContact O-N 3.29Å; A386-L390 VanDerWaalsContact O-N 3.16Å; P387-L390 PolarHBondContact O-N 3.24Å; T388-L390 PolarHBondContact O-N 2.96Å; L390-V392 VanDerWaalsContact C-N 3.35Å; L390-V392 PolarHBondContact O-N 3.17Å; L390-C393 WeakPolarHBondContact O-CB 3.36Å; L390-C393 PolarHBondContact O-N 3.24Å; L390-C393 VanDerWaalsContact O-N 3.15Å; L390-M394 PolarHBondContact O-N 2.97Å; L390-M394 VanDerWaalsContact O-N 3.09Å; L390-F419 HydrophobicContact CB-CD2 4.29Å; L390-F419 HydrophobicContact CB-CE2 3.71Å; L390-F419 HydrophobicContact CB-CZ 4.33Å; L390-F419 HydrophobicContact CD2-CD2 3.99Å; L390-F419 HydrophobicContact CD2-CE2 4.17Å; L390-F419 HydrophobicContact CD2-CG 4.5Å; L390-F419 HydrophobicContact CG-CD2 4.27Å; L390-F419 HydrophobicContact CG-CE2 3.92Å; L390-F419 HydrophobicContact CG-CZ 4.31Å; L390-F419 VanDerWaalsContact O-CE2 3.28Å; L390-F419 WeakPolarHBondContact O-CE2 3.45Å; L390-F419 WeakPolarHBondContact O-CZ 3.34Å; L390-R736 HydrophobicContact CD1-CB 4.32Å; L390-M738 HydrophobicContact CB-SD 4.34Å; L390-M738 HydrophobicContact CD2-CE 4.04Å; L390-M738 HydrophobicContact CD2-CG 3.85Å; L390-M738 HydrophobicContact CD2-SD 3.81Å
391	K	96.4	Very high	93.7	Very high	154 Å²	154	44.2 Å²	44.2	67%	0.67	21%	0.211	S	C	*	.	H	α-helix	trans	-57.7	-46.2	173.3	-176	178.9	178.3	179.3	0	111.8	P387 T388 C393 M394 E395	P387-K391 WeakPolarHBondContact O-CB 3.13Å; P387-K391 PolarHBondContact O-N 3.35Å; T388-K391 PolarHBondContact O-N 3.37Å; K391-C393 VanDerWaalsContact C-N 3.33Å; K391-C393 PolarHBondContact O-N 2.89Å; K391-M394 PolarHBondContact O-N 3.46Å; K391-E395 PolarHBondContact O-N 3.48Å
392	V	95.7	Very high	93.7	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-36.3	176.9	178.1	0	0	0	0	111.1	V231 M384 T388 R389 L390 M394 E395 M396	V231-V392 HydrophobicContact CG1-CG1 4.43Å; V231-V392 HydrophobicContact CG2-CB 3.9Å; V231-V392 HydrophobicContact CG2-CG1 3.53Å; M384-V392 HydrophobicContact SD-CG2 4.27Å; T388-V392 HydrophobicContact CG2-CG2 4.39Å; T388-V392 VanDerWaalsContact O-CG2 3.31Å; T388-V392 WeakPolarHBondContact O-CG2 3.36Å; T388-V392 PolarHBondContact O-N 2.81Å; R389-V392 PolarHBondContact O-N 3.37Å; L390-V392 VanDerWaalsContact C-N 3.35Å; L390-V392 PolarHBondContact O-N 3.17Å; V392-M394 PolarHBondContact O-N 2.89Å; V392-E395 PolarHBondContact O-N 3.5Å; V392-M396 HydrophobicContact CG1-CG 4.18Å; V392-M396 HydrophobicContact CG1-SD 4.24Å; V392-M396 WeakPolarHBondContact O-CB 3.48Å; V392-M396 VanDerWaalsContact O-CG 3.27Å; V392-M396 WeakPolarHBondContact O-CG 3.41Å; V392-M396 PolarHBondContact O-N 2.69Å
393	C	95.9	Very high	93.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.2	-47.7	173.2	-66	0	0	0	0	111.4	I229 V231 R389 L390 K391 M396 M397 F419	I229-C393 HydrophobicContact CG2-CB 4.18Å; V231-C393 PolarHBondContact N-SG 3.4Å; R389-C393 PolarHBondContact O-N 3.24Å; R389-C393 PolarHBondContact O-SG 3.45Å; L390-C393 WeakPolarHBondContact O-CB 3.36Å; L390-C393 PolarHBondContact O-N 3.24Å; L390-C393 VanDerWaalsContact O-N 3.15Å; K391-C393 VanDerWaalsContact C-N 3.33Å; K391-C393 PolarHBondContact O-N 2.89Å; C393-M396 PolarHBondContact O-N 3.3Å; C393-M397 WeakPolarHBondContact O-CB 3.5Å; C393-M397 PolarHBondContact O-N 3.49Å; C393-F419 HydrophobicContact CB-CZ 3.85Å
394	M	94.7	Very high	93.5	Very high	20 Å²	20	42.6 Å²	42.6	10%	0.099	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-41.7	176.8	-80.7	-63.1	-171.9	0	0	112.7	V40 L390 K391 V392 M396 M397 R398 R417 F419	V40-M394 HydrophobicContact CG1-CE 3.94Å; L390-M394 PolarHBondContact O-N 2.97Å; L390-M394 VanDerWaalsContact O-N 3.09Å; K391-M394 PolarHBondContact O-N 3.46Å; V392-M394 PolarHBondContact O-N 2.89Å; M394-M396 VanDerWaalsContact C-N 3.32Å; M394-M396 PolarHBondContact O-N 2.93Å; M394-M397 WeakPolarHBondContact O-CB 3.33Å; M394-M397 PolarHBondContact O-N 3.24Å; M394-M397 HydrophobicContact SD-SD 4.02Å; M394-R398 WeakPolarHBondContact O-CG 3.31Å; M394-R398 PolarHBondContact O-N 3Å; M394-R417 VanDerWaalsContact CE-O 3.3Å; M394-R417 WeakPolarHBondContact CE-O 3.49Å; M394-F419 HydrophobicContact CE-CB 4.46Å; M394-F419 HydrophobicContact CE-CD1 3.8Å; M394-F419 HydrophobicContact CE-CD2 3.78Å; M394-F419 HydrophobicContact CE-CE1 3.85Å; M394-F419 HydrophobicContact CE-CE2 3.84Å; M394-F419 HydrophobicContact CE-CG 3.76Å; M394-F419 HydrophobicContact CE-CZ 3.86Å; M394-F419 HydrophobicContact CG-CD2 4.17Å; M394-F419 HydrophobicContact CG-CE1 4.37Å; M394-F419 HydrophobicContact CG-CE2 3.4Å; M394-F419 HydrophobicContact CG-CZ 3.51Å; M394-F419 HydrophobicContact SD-CE1 4.44Å; M394-F419 HydrophobicContact SD-CE2 4.33Å; M394-F419 HydrophobicContact SD-CZ 4.12Å
395	E	94.5	Very high	93.4	Very high	70 Å²	70	41.6 Å²	41.6	33%	0.327	19%	0.191	S	C	.	.	H	α-helix	trans	-59.9	-44.6	176.2	-172.9	-171.2	159.5	0	0	111.4	K391 V392 R398 R399	K391-E395 PolarHBondContact O-N 3.48Å; V392-E395 PolarHBondContact O-N 3.5Å; E395-R398 WeakPolarHBondContact O-CB 3.15Å; E395-R398 PolarHBondContact O-N 2.73Å; E395-R399 WeakPolarHBondContact O-CG 3.31Å; E395-R399 PolarHBondContact O-N 2.63Å; E395-R399 IonicContact OE1-CZ 3.69Å; E395-R399 IonicContact OE1-NE 2.87Å; E395-R399 PolarHBondContact OE1-NE 3.45Å; E395-R399 IonicContact OE1-NH2 2.69Å; E395-R399 PolarHBondContact OE1-NH2 3.14Å
396	M	92.6	Very high	93.2	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.039	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-36.2	177.8	-69.3	-166.5	78	0	0	112.4	R211 L213 V231 V392 C393 M394 R398 R399 A400	R211-M396 HydrophobicContact CG-CE 4.01Å; R211-M396 HydrophobicContact CG-SD 3.76Å; L213-M396 HydrophobicContact CB-CB 4.37Å; L213-M396 HydrophobicContact CB-CE 4.19Å; L213-M396 HydrophobicContact CD1-CB 3.8Å; L213-M396 HydrophobicContact CG-CB 4.47Å; V231-M396 HydrophobicContact CG1-SD 4.16Å; V231-M396 HydrophobicContact CG2-SD 4.21Å; V392-M396 HydrophobicContact CG1-CG 4.18Å; V392-M396 HydrophobicContact CG1-SD 4.24Å; V392-M396 WeakPolarHBondContact O-CB 3.48Å; V392-M396 VanDerWaalsContact O-CG 3.27Å; V392-M396 WeakPolarHBondContact O-CG 3.41Å; V392-M396 PolarHBondContact O-N 2.69Å; C393-M396 PolarHBondContact O-N 3.3Å; M394-M396 VanDerWaalsContact C-N 3.32Å; M394-M396 PolarHBondContact O-N 2.93Å; M396-R398 VanDerWaalsContact C-N 3.34Å; M396-R399 PolarHBondContact O-N 2.97Å; M396-A400 WeakPolarHBondContact O-CB 3.31Å; M396-A400 PolarHBondContact O-N 3.15Å
397	M	92.8	Very high	93.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-44.6	173	-176.8	-174.6	-179	0	0	111.5	V40 I229 C393 M394 A400 N401 L402 I415	V40-M397 HydrophobicContact CG2-CE 4.41Å; I229-M397 HydrophobicContact CD1-CE 4.06Å; I229-M397 HydrophobicContact CD1-CG 4.09Å; I229-M397 HydrophobicContact CD1-SD 3.47Å; I229-M397 WeakPolarHBondContact CD1-SD 3.31Å; C393-M397 WeakPolarHBondContact O-CB 3.5Å; C393-M397 PolarHBondContact O-N 3.49Å; M394-M397 WeakPolarHBondContact O-CB 3.33Å; M394-M397 PolarHBondContact O-N 3.24Å; M394-M397 HydrophobicContact SD-SD 4.02Å; M397-A400 PolarHBondContact O-N 3.32Å; M397-N401 PolarHBondContact O-N 3Å; M397-L402 HydrophobicContact CB-CD1 4.42Å; M397-L402 HydrophobicContact CE-CB 4.31Å; M397-L402 HydrophobicContact CG-CB 4Å; M397-L402 HydrophobicContact CG-CD1 3.75Å; M397-L402 PolarHBondContact O-N 3.36Å; M397-I415 HydrophobicContact CE-CB 4.07Å; M397-I415 HydrophobicContact CE-CD1 3.62Å; M397-I415 HydrophobicContact CE-CG1 3.59Å; M397-I415 HydrophobicContact CE-CG2 3.36Å
398	R	92.3	Very high	93	Very high	158 Å²	158	41.4 Å²	41.4	60%	0.596	19%	0.187	S	C	*	.	H	α-helix	trans	-62.8	-46	174.3	-73.4	173.7	-173.1	166.7	3.9	112.1	M394 E395 M396 A400 N401 E403	M394-R398 WeakPolarHBondContact O-CG 3.31Å; M394-R398 PolarHBondContact O-N 3Å; E395-R398 WeakPolarHBondContact O-CB 3.15Å; E395-R398 PolarHBondContact O-N 2.73Å; M396-R398 VanDerWaalsContact C-N 3.34Å; R398-A400 VanDerWaalsContact C-N 3.29Å; R398-A400 PolarHBondContact O-N 2.94Å; R398-N401 WeakPolarHBondContact O-CA 3.27Å; R398-N401 PolarHBondContact O-N 2.8Å; R398-E403 VanDerWaalsContact CG-OE1 3.22Å; R398-E403 WeakPolarHBondContact CG-OE1 3.38Å
399	R	89	Confident	92.7	Very high	128 Å²	128	44.6 Å²	44.6	48%	0.483	20%	0.197	S	C	.	.	H	α-helix	trans	-62.5	-35.2	176.8	-73.5	-177.5	-178.3	-172.8	2	113	E194 E395 M396 N401	E194-R399 IonicContact OE1-NH1 3.4Å; E194-R399 IonicContact OE2-NH1 3.64Å; E194-R399 PolarHBondContact OE2-NH1 2.76Å; E395-R399 WeakPolarHBondContact O-CG 3.31Å; E395-R399 PolarHBondContact O-N 2.63Å; E395-R399 IonicContact OE1-CZ 3.69Å; E395-R399 IonicContact OE1-NE 2.87Å; E395-R399 PolarHBondContact OE1-NE 3.45Å; E395-R399 IonicContact OE1-NH2 2.69Å; E395-R399 PolarHBondContact OE1-NH2 3.14Å; M396-R399 PolarHBondContact O-N 2.97Å; R399-N401 PolarHBondContact O-N 2.91Å
400	A	89.1	Confident	92.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-8	172.3	0	0	0	0	0	113.2	F185 L213 M396 M397 R398 L402	F185-A400 HydrophobicContact CZ-CB 4.35Å; L213-A400 HydrophobicContact CD2-CB 4.01Å; M396-A400 WeakPolarHBondContact O-CB 3.31Å; M396-A400 PolarHBondContact O-N 3.15Å; M397-A400 PolarHBondContact O-N 3.32Å; R398-A400 VanDerWaalsContact C-N 3.29Å; R398-A400 PolarHBondContact O-N 2.94Å; A400-L402 HydrophobicContact CB-CD1 4.27Å; A400-L402 HydrophobicContact CB-CG 4.12Å; A400-L402 PolarHBondContact O-N 2.98Å
401	N	90.3	Very high	92.4	Very high	52 Å²	52	47.4 Å²	47.4	28%	0.278	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	35.4	-177	-163.7	39.8	0	0	0	113.1	R181 M397 R398 R399 E403 N404 D405	R181-N401 PolarHBondContact NH1-ND2 3.16Å; M397-N401 PolarHBondContact O-N 3Å; R398-N401 WeakPolarHBondContact O-CA 3.27Å; R398-N401 PolarHBondContact O-N 2.8Å; R399-N401 PolarHBondContact O-N 2.91Å; N401-E403 PolarHBondContact O-N 2.99Å; N401-N404 CarbonylContact O-C 3.58Å; N401-N404 PolarHBondContact O-N 2.84Å; N401-N404 VanDerWaalsContact O-N 3.1Å; N401-N404 WeakPolarHBondContact OD1-CB 3.46Å; N401-N404 PolarHBondContact OD1-ND2 3.49Å; N401-D405 PolarHBondContact O-N 3.48Å
402	L	89.4	Confident	92.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.8	-28.4	-179.7	-84.2	166.4	0	0	0	112.7	R174 L213 L215 M397 A400 N404 D405	R174-L402 VanDerWaalsContact NH1-CD2 3.26Å; L213-L402 HydrophobicContact CD2-CD1 3.79Å; L215-L402 HydrophobicContact CD1-CD1 3.6Å; L215-L402 HydrophobicContact CD1-CD2 4Å; L215-L402 HydrophobicContact CD1-CG 4.42Å; L215-L402 HydrophobicContact CD2-CD1 4.1Å; L215-L402 HydrophobicContact CG-CD1 4.47Å; M397-L402 HydrophobicContact CB-CD1 4.42Å; M397-L402 HydrophobicContact CE-CB 4.31Å; M397-L402 HydrophobicContact CG-CB 4Å; M397-L402 HydrophobicContact CG-CD1 3.75Å; M397-L402 PolarHBondContact O-N 3.36Å; A400-L402 HydrophobicContact CB-CD1 4.27Å; A400-L402 HydrophobicContact CB-CG 4.12Å; A400-L402 PolarHBondContact O-N 2.98Å; L402-N404 PolarHBondContact O-N 3.45Å; L402-D405 WeakPolarHBondContact O-CB 3.24Å; L402-D405 PolarHBondContact O-N 3.31Å
403	E	86.1	Confident	91.9	Very high	44 Å²	44	40.2 Å²	40.2	21%	0.206	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-67.9	-20.9	179.2	-50.4	-177.4	-162.2	0	0	113	R398 N401 R417	R398-E403 VanDerWaalsContact CG-OE1 3.22Å; R398-E403 WeakPolarHBondContact CG-OE1 3.38Å; N401-E403 PolarHBondContact O-N 2.99Å; E403-R417 HydrophobicContact CG-CG 4.07Å; E403-R417 PolarHBondContact O-NH2 3.24Å; E403-R417 WeakPolarHBondContact OE2-CG 3.42Å; E403-R417 IonicContact OE2-NE 3.41Å
404	N	89.8	Confident	91.7	Very high	79 Å²	79	41.4 Å²	41.4	42%	0.422	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-123.9	25.7	178.9	-65.2	-62.7	0	0	0	111.9	N401 L402 E406 K409	N401-N404 CarbonylContact O-C 3.58Å; N401-N404 PolarHBondContact O-N 2.84Å; N401-N404 VanDerWaalsContact O-N 3.1Å; N401-N404 WeakPolarHBondContact OD1-CB 3.46Å; N401-N404 PolarHBondContact OD1-ND2 3.49Å; L402-N404 PolarHBondContact O-N 3.45Å; N404-E406 PolarHBondContact O-N 2.95Å; N404-K409 PolarHBondContact OD1-NZ 3.49Å
405	D	91.9	Very high	91.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	18%	0.184	C	C	.	.			trans	-65.1	124.7	-177.4	-166.5	-79.6	0	0	0	111.5	G173 R181 N401 L402 F407 L408 K409	G173-D405 WeakPolarHBondContact CA-OD2 3.43Å; R181-D405 IonicContact NH2-OD2 2.72Å; R181-D405 PolarHBondContact NH2-OD2 3.14Å; N401-D405 PolarHBondContact O-N 3.48Å; L402-D405 WeakPolarHBondContact O-CB 3.24Å; L402-D405 PolarHBondContact O-N 3.31Å; D405-F407 VanDerWaalsContact C-N 3.31Å; D405-F407 PolarHBondContact O-N 2.94Å; D405-F407 WeakPolarHBondContact OD1-CA 3.29Å; D405-F407 VanDerWaalsContact OD1-CB 3.32Å; D405-F407 WeakPolarHBondContact OD1-CB 3.45Å; D405-F407 PolarHBondContact OD1-N 3.15Å; D405-L408 HydrophobicContact CB-CB 4.1Å; D405-L408 HydrophobicContact CB-CD1 3.92Å; D405-L408 HydrophobicContact CB-CG 3.96Å; D405-L408 PolarHBondContact O-N 2.99Å; D405-L408 PolarHBondContact OD1-N 3.25Å; D405-L408 VanDerWaalsContact OD1-N 3.16Å; D405-K409 WeakPolarHBondContact O-CG 3.32Å; D405-K409 PolarHBondContact O-N 3.44Å; D405-K409 VanDerWaalsContact O-N 3.11Å
406	E	93.7	Very high	91.4	Very high	58 Å²	58	37.4 Å²	37.4	27%	0.271	17%	0.17	S	C	.	.	H	α-helix	trans	-64.2	-37.8	-176.2	-58.8	83.9	170.9	0	0	110.9	F90 R181 N404 E410	F90-E406 HydrophobicContact CB-CB 4.22Å; F90-E406 HydrophobicContact CD1-CB 4.19Å; F90-E406 HydrophobicContact CD2-CB 4.14Å; F90-E406 HydrophobicContact CG-CB 3.92Å; R181-E406 IonicContact CZ-OE1 3.67Å; R181-E406 IonicContact CZ-OE2 3.83Å; R181-E406 VanDerWaalsContact CZ-OE2 3.25Å; R181-E406 IonicContact NH1-OE1 3.6Å; R181-E406 PolarHBondContact NH1-OE1 3.44Å; R181-E406 IonicContact NH1-OE2 3.15Å; R181-E406 PolarHBondContact NH1-OE2 2.76Å; R181-E406 VanDerWaalsContact NH1-OE2 3.08Å; R181-E406 IonicContact NH2-OE1 2.71Å; R181-E406 IonicContact NH2-OE2 3.34Å; R181-E406 PolarHBondContact NH2-OE2 3.36Å; N404-E406 PolarHBondContact O-N 2.95Å; E406-E410 WeakPolarHBondContact O-CB 3.47Å; E406-E410 VanDerWaalsContact O-CG 3.29Å; E406-E410 WeakPolarHBondContact O-CG 3.3Å; E406-E410 PolarHBondContact O-N 2.96Å
407	F	94.8	Very high	91.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.3	-43.2	178.9	-64.1	-89	0	0	0	111.3	W76 F90 V92 I169 Q172 C176 V179 D405 K409 E410 F411	W76-F407 AromaticContact CH2-CE1 3.62Å; W76-F407 HydrophobicContact CH2-CE1 3.62Å; W76-F407 AromaticContact CH2-CZ 3.73Å; W76-F407 HydrophobicContact CH2-CZ 3.73Å; W76-F407 HydrophobicContact CZ2-CE1 4.17Å; W76-F407 HydrophobicContact CZ2-CZ 4.07Å; W76-F407 HydrophobicContact CZ3-CZ 4.46Å; F90-F407 HydrophobicContact CB-CD1 4.43Å; F90-F407 HydrophobicContact CB-CE1 4.41Å; F90-F407 HydrophobicContact CD1-CD2 4.43Å; F90-F407 HydrophobicContact CD1-CE1 4.02Å; F90-F407 AromaticContact CD1-CE2 3.84Å; F90-F407 HydrophobicContact CD1-CE2 3.84Å; F90-F407 AromaticContact CD1-CZ 3.61Å; F90-F407 HydrophobicContact CD1-CZ 3.61Å; F90-F407 HydrophobicContact CE1-CE2 4.36Å; F90-F407 HydrophobicContact CE1-CZ 4.26Å; F90-F407 WeakPolarHBondContact O-CD1 3.27Å; V92-F407 WeakPolarHBondContact O-CD1 3.47Å; V92-F407 WeakPolarHBondContact O-CE1 3.21Å; I169-F407 HydrophobicContact CG2-CB 4.18Å; Q172-F407 HydrophobicContact CB-CB 4.1Å; Q172-F407 HydrophobicContact CB-CD1 3.58Å; Q172-F407 HydrophobicContact CB-CD2 3.41Å; Q172-F407 VanDerWaalsContact CB-CD2 3.41Å; Q172-F407 HydrophobicContact CB-CE1 3.76Å; Q172-F407 HydrophobicContact CB-CE2 3.57Å; Q172-F407 HydrophobicContact CB-CG 3.41Å; Q172-F407 VanDerWaalsContact CB-CG 3.41Å; Q172-F407 HydrophobicContact CB-CZ 3.74Å; Q172-F407 HydrophobicContact CG-CD1 3.91Å; Q172-F407 HydrophobicContact CG-CE1 4.17Å; Q172-F407 HydrophobicContact CG-CG 4.12Å; C176-F407 HydrophobicContact CB-CE2 3.82Å; C176-F407 HydrophobicContact CB-CZ 3.65Å; V179-F407 HydrophobicContact CG2-CE2 3.86Å; D405-F407 VanDerWaalsContact C-N 3.31Å; D405-F407 PolarHBondContact O-N 2.94Å; D405-F407 WeakPolarHBondContact OD1-CA 3.29Å; D405-F407 VanDerWaalsContact OD1-CB 3.32Å; D405-F407 WeakPolarHBondContact OD1-CB 3.45Å; D405-F407 PolarHBondContact OD1-N 3.15Å; F407-K409 VanDerWaalsContact C-N 3.33Å; F407-K409 PolarHBondContact O-N 3.33Å; F407-E410 PolarHBondContact O-N 3.13Å; F407-F411 WeakPolarHBondContact O-CB 3.16Å; F407-F411 VanDerWaalsContact O-CD2 3.24Å; F407-F411 WeakPolarHBondContact O-CD2 3.28Å; F407-F411 PolarHBondContact O-N 3.03Å
408	L	93.2	Very high	91.5	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-48.9	175.7	-69	179.3	0	0	0	110.8	I169 L170 D405 E410 F411 G412 L413	I169-L408 HydrophobicContact CG2-CD2 3.9Å; L170-L408 HydrophobicContact CD2-CD1 4.05Å; L170-L408 HydrophobicContact CD2-CD2 3.85Å; L170-L408 HydrophobicContact CD2-CG 4.46Å; L170-L408 HydrophobicContact CG-CD2 4.31Å; D405-L408 HydrophobicContact CB-CB 4.1Å; D405-L408 HydrophobicContact CB-CD1 3.92Å; D405-L408 HydrophobicContact CB-CG 3.96Å; D405-L408 PolarHBondContact O-N 2.99Å; D405-L408 PolarHBondContact OD1-N 3.25Å; D405-L408 VanDerWaalsContact OD1-N 3.16Å; L408-E410 PolarHBondContact O-N 2.88Å; L408-F411 PolarHBondContact O-N 3.15Å; L408-G412 PolarHBondContact O-N 3.23Å; L408-L413 CarbonylContact C-O 3.48Å; L408-L413 HydrophobicContact CB-CB 4.28Å; L408-L413 HydrophobicContact CD2-CB 3.97Å; L408-L413 HydrophobicContact CD2-CD1 4.15Å; L408-L413 WeakPolarHBondContact O-CA 3.21Å; L408-L413 PolarHBondContact O-N 3.28Å
409	K	92	Very high	91.7	Very high	119 Å²	119	40 Å²	40	52%	0.517	19%	0.192	S	C	.	.	H	α-helix	trans	-58.8	-49.4	179.4	-72.1	175.6	179.8	175.9	0	112.5	N404 D405 F407 F411 G412	N404-K409 PolarHBondContact OD1-NZ 3.49Å; D405-K409 WeakPolarHBondContact O-CG 3.32Å; D405-K409 PolarHBondContact O-N 3.44Å; D405-K409 VanDerWaalsContact O-N 3.11Å; F407-K409 VanDerWaalsContact C-N 3.33Å; F407-K409 PolarHBondContact O-N 3.33Å; K409-F411 VanDerWaalsContact C-N 3.3Å; K409-F411 PolarHBondContact O-N 2.78Å; K409-G412 PolarHBondContact O-N 3.08Å
410	E	92.6	Very high	92.1	Very high	88 Å²	88	34.3 Å²	34.3	41%	0.411	17%	0.171	S	C	.	.	H	α-helix	trans	-63.2	-33.6	-179.9	-74.5	-65.8	154.9	0	0	113.2	F90 E406 F407 L408 G412	F90-E410 HydrophobicContact CB-CG 3.8Å; E406-E410 WeakPolarHBondContact O-CB 3.47Å; E406-E410 VanDerWaalsContact O-CG 3.29Å; E406-E410 WeakPolarHBondContact O-CG 3.3Å; E406-E410 PolarHBondContact O-N 2.96Å; F407-E410 PolarHBondContact O-N 3.13Å; L408-E410 PolarHBondContact O-N 2.88Å; E410-G412 PolarHBondContact O-N 3.32Å
411	F	92.8	Very high	92.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.5	175	-80.8	-96.9	0	0	0	113.5	V52 S91 A93 K103 I169 F407 L408 K409 L413	V52-F411 HydrophobicContact CB-CE1 4.5Å; V52-F411 HydrophobicContact CG1-CD1 3.73Å; V52-F411 HydrophobicContact CG1-CE1 3.81Å; S91-F411 VanDerWaalsContact O-CZ 3.32Å; S91-F411 WeakPolarHBondContact O-CZ 3.29Å; A93-F411 HydrophobicContact CB-CE2 4.19Å; A93-F411 HydrophobicContact CB-CZ 4Å; K103-F411 HydrophobicContact CB-CD1 4.24Å; K103-F411 HydrophobicContact CB-CE1 4.27Å; I169-F411 HydrophobicContact CD1-CB 4.07Å; I169-F411 HydrophobicContact CD1-CD1 3.5Å; I169-F411 VanDerWaalsContact CD1-CD1 3.5Å; I169-F411 HydrophobicContact CD1-CD2 4.38Å; I169-F411 HydrophobicContact CD1-CE1 3.95Å; I169-F411 HydrophobicContact CD1-CG 3.73Å; I169-F411 HydrophobicContact CG1-CD1 4.12Å; I169-F411 HydrophobicContact CG1-CD2 4.31Å; I169-F411 HydrophobicContact CG1-CE1 4.21Å; I169-F411 HydrophobicContact CG1-CE2 4.38Å; I169-F411 HydrophobicContact CG1-CG 4.16Å; I169-F411 HydrophobicContact CG1-CZ 4.33Å; I169-F411 HydrophobicContact CG2-CB 4.44Å; I169-F411 HydrophobicContact CG2-CD2 4.2Å; I169-F411 HydrophobicContact CG2-CG 4.34Å; F407-F411 WeakPolarHBondContact O-CB 3.16Å; F407-F411 VanDerWaalsContact O-CD2 3.24Å; F407-F411 WeakPolarHBondContact O-CD2 3.28Å; F407-F411 PolarHBondContact O-N 3.03Å; L408-F411 PolarHBondContact O-N 3.15Å; K409-F411 VanDerWaalsContact C-N 3.3Å; K409-F411 PolarHBondContact O-N 2.78Å; F411-L413 HydrophobicContact CB-CD1 4.41Å; F411-L413 HydrophobicContact CB-CG 4.4Å
412	G	91.2	Very high	92.9	Very high	12 Å²	12	36 Å²	36	12%	0.124	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	29.4	-178.6	0	0	0	0	0	113.6	F45 I50 L408 K409 E410	F45-G412 PolarHBondContact N-O 2.58Å; I50-G412 WeakPolarHBondContact CD1-O 3.48Å; L408-G412 PolarHBondContact O-N 3.23Å; K409-G412 PolarHBondContact O-N 3.08Å; E410-G412 PolarHBondContact O-N 3.32Å
413	L	91.4	Very high	93.3	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.8	179.9	-58.5	177	0	0	0	110.7	L42 K44 I50 V166 I169 L408 F411	L42-L413 HydrophobicContact CD2-CD2 4.13Å; K44-L413 HydrophobicContact CG-CD2 4.34Å; I50-L413 HydrophobicContact CD1-CD2 3.96Å; V166-L413 HydrophobicContact CG2-CD1 4.37Å; I169-L413 HydrophobicContact CD1-CD1 4.04Å; I169-L413 HydrophobicContact CG2-CD1 4.41Å; L408-L413 CarbonylContact C-O 3.48Å; L408-L413 HydrophobicContact CB-CB 4.28Å; L408-L413 HydrophobicContact CD2-CB 3.97Å; L408-L413 HydrophobicContact CD2-CD1 4.15Å; L408-L413 WeakPolarHBondContact O-CA 3.21Å; L408-L413 PolarHBondContact O-N 3.28Å; F411-L413 HydrophobicContact CB-CD1 4.41Å; F411-L413 HydrophobicContact CB-CG 4.4Å
414	D	90.6	Very high	93.9	Very high	26 Å²	26	36.3 Å²	36.3	14%	0.139	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.9	172.9	-177.2	32.7	0	0	0	109.5	L42 K43 F45 R417	L42-D414 CarbonylContact C-O 3.41Å; K43-D414 HydrophobicContact CB-CB 4.16Å; K43-D414 PolarHBondContact N-O 2.89Å; K43-D414 PolarHBondContact O-N 3.48Å; K43-D414 VanDerWaalsContact O-O 3.1Å; F45-D414 HydrophobicContact CD2-CB 4.45Å; D414-R417 VanDerWaalsContact CG-NH1 3.29Å; D414-R417 IonicContact OD1-CZ 3.83Å; D414-R417 VanDerWaalsContact OD1-CZ 3.3Å; D414-R417 IonicContact OD1-NH1 2.62Å; D414-R417 PolarHBondContact OD1-NH1 2.8Å; D414-R417 VanDerWaalsContact OD1-NH1 3.11Å; D414-R417 IonicContact OD1-NH2 3.77Å; D414-R417 PolarHBondContact OD1-NH2 3.2Å; D414-R417 IonicContact OD2-CZ 3.59Å; D414-R417 IonicContact OD2-NH1 3.3Å; D414-R417 PolarHBondContact OD2-NH1 2.8Å; D414-R417 IonicContact OD2-NH2 3.94Å; D414-R417 PolarHBondContact OD2-NH2 3.47Å
415	I	91.6	Very high	94.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.3	-175.8	-163.7	162	0	0	0	110.9	V40 V227 I229 M397 R417	V40-I415 HydrophobicContact CB-CG1 4.4Å; V40-I415 HydrophobicContact CG2-CD1 3.59Å; V40-I415 HydrophobicContact CG2-CG1 3.46Å; V40-I415 VanDerWaalsContact CG2-CG1 3.46Å; V227-I415 HydrophobicContact CB-CD1 4Å; V227-I415 HydrophobicContact CG1-CD1 4.37Å; V227-I415 HydrophobicContact CG2-CD1 3.82Å; I229-I415 HydrophobicContact CD1-CD1 4.43Å; M397-I415 HydrophobicContact CE-CB 4.07Å; M397-I415 HydrophobicContact CE-CD1 3.62Å; M397-I415 HydrophobicContact CE-CG1 3.59Å; M397-I415 HydrophobicContact CE-CG2 3.36Å; I415-R417 PolarHBondContact O-NH1 2.71Å
416	A	93.2	Very high	94.6	Very high	5 Å²	5	34.9 Å²	34.9	4%	0.041	18%	0.176	C	C	.	.			trans	-65.5	147.4	177.8	0	0	0	0	0	111.4	V40 E41	V40-A416 HydrophobicContact CB-CB 4.34Å; E41-A416 HydrophobicContact CB-CB 4.21Å; E41-A416 WeakPolarHBondContact O-CB 3.49Å; E41-A416 PolarHBondContact O-N 3.36Å
417	R	92.1	Very high	94.8	Very high	87 Å²	87	32.5 Å²	32.5	33%	0.328	17%	0.166	S	C	.	.	S	Bend	trans	-97.8	6	-179.8	-64.8	86.4	-177.9	155.7	-2.2	112.7	M394 E403 D414 I415	M394-R417 VanDerWaalsContact CE-O 3.3Å; M394-R417 WeakPolarHBondContact CE-O 3.49Å; E403-R417 HydrophobicContact CG-CG 4.07Å; E403-R417 PolarHBondContact O-NH2 3.24Å; E403-R417 WeakPolarHBondContact OE2-CG 3.42Å; E403-R417 IonicContact OE2-NE 3.41Å; D414-R417 VanDerWaalsContact CG-NH1 3.29Å; D414-R417 IonicContact OD1-CZ 3.83Å; D414-R417 VanDerWaalsContact OD1-CZ 3.3Å; D414-R417 IonicContact OD1-NH1 2.62Å; D414-R417 PolarHBondContact OD1-NH1 2.8Å; D414-R417 VanDerWaalsContact OD1-NH1 3.11Å; D414-R417 IonicContact OD1-NH2 3.77Å; D414-R417 PolarHBondContact OD1-NH2 3.2Å; D414-R417 IonicContact OD2-CZ 3.59Å; D414-R417 IonicContact OD2-NH1 3.3Å; D414-R417 PolarHBondContact OD2-NH1 2.8Å; D414-R417 IonicContact OD2-NH2 3.94Å; D414-R417 PolarHBondContact OD2-NH2 3.47Å; I415-R417 PolarHBondContact O-NH1 2.71Å
418	T	94.7	Very high	94.9	Very high	104 Å²	104	35.8 Å²	35.8	64%	0.638	19%	0.187	S	C	*	.	S	Bend	trans	-128.7	145.8	178.9	54.1	0	0	0	0	109.1
419	F	96.8	Very high	95.2	Very high	30 Å²	30	37.6 Å²	37.6	13%	0.132	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-70.5	151.4	174.9	-76	-50.5	0	0	0	111.8	V36 S37 N38 F39 V40 L390 C393 M394 E421	V36-F419 HydrophobicContact CG1-CB 3.44Å; V36-F419 VanDerWaalsContact CG1-CB 3.44Å; V36-F419 HydrophobicContact CG1-CD2 4.32Å; V36-F419 HydrophobicContact CG1-CG 4.24Å; S37-F419 WeakPolarHBondContact O-CB 3.22Å; S37-F419 VanDerWaalsContact O-CD1 3.29Å; S37-F419 WeakPolarHBondContact O-CD1 3.48Å; S37-F419 WeakPolarHBondContact O-CG 3.42Å; N38-F419 HydrophobicContact CB-CE1 4.27Å; F39-F419 CarbonylContact O-C 3.51Å; F39-F419 VanDerWaalsContact O-CA 3.31Å; F39-F419 WeakPolarHBondContact O-CA 3.42Å; V40-F419 HydrophobicContact CG1-CD1 3.84Å; V40-F419 HydrophobicContact CG1-CE1 4.12Å; L390-F419 HydrophobicContact CB-CD2 4.29Å; L390-F419 HydrophobicContact CB-CE2 3.71Å; L390-F419 HydrophobicContact CB-CZ 4.33Å; L390-F419 HydrophobicContact CD2-CD2 3.99Å; L390-F419 HydrophobicContact CD2-CE2 4.17Å; L390-F419 HydrophobicContact CD2-CG 4.5Å; L390-F419 HydrophobicContact CG-CD2 4.27Å; L390-F419 HydrophobicContact CG-CE2 3.92Å; L390-F419 HydrophobicContact CG-CZ 4.31Å; L390-F419 VanDerWaalsContact O-CE2 3.28Å; L390-F419 WeakPolarHBondContact O-CE2 3.45Å; L390-F419 WeakPolarHBondContact O-CZ 3.34Å; C393-F419 HydrophobicContact CB-CZ 3.85Å; M394-F419 HydrophobicContact CE-CB 4.46Å; M394-F419 HydrophobicContact CE-CD1 3.8Å; M394-F419 HydrophobicContact CE-CD2 3.78Å; M394-F419 HydrophobicContact CE-CE1 3.85Å; M394-F419 HydrophobicContact CE-CE2 3.84Å; M394-F419 HydrophobicContact CE-CG 3.76Å; M394-F419 HydrophobicContact CE-CZ 3.86Å; M394-F419 HydrophobicContact CG-CD2 4.17Å; M394-F419 HydrophobicContact CG-CE1 4.37Å; M394-F419 HydrophobicContact CG-CE2 3.4Å; M394-F419 HydrophobicContact CG-CZ 3.51Å; M394-F419 HydrophobicContact SD-CE1 4.44Å; M394-F419 HydrophobicContact SD-CE2 4.33Å; M394-F419 HydrophobicContact SD-CZ 4.12Å; F419-E421 PolarHBondContact O-N 3.17Å
420	V	97	Very high	95.4	Very high	8 Å²	8	32 Å²	32	5%	0.048	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-72.8	119.8	174.7	176.2	0	0	0	0	108.9	S37 F39 E41 M226 V422 V762	S37-V420 PolarHBondContact N-O 3.49Å; S37-V420 PolarHBondContact OG-O 2.91Å; F39-V420 HydrophobicContact CB-CB 4.28Å; F39-V420 HydrophobicContact CB-CG2 4.21Å; F39-V420 WeakPolarHBondContact O-CG2 3.31Å; F39-V420 PolarHBondContact O-N 3.32Å; E41-V420 HydrophobicContact CG-CG2 3.72Å; M226-V420 HydrophobicContact SD-CG1 4.47Å; M226-V420 HydrophobicContact SD-CG2 3.98Å; V420-V422 HydrophobicContact CG1-CG2 3.98Å; V420-V762 HydrophobicContact CG1-CG1 4.26Å
421	E	97.7	Very high	95.6	Very high	89 Å²	89	32.1 Å²	32.1	42%	0.416	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.6	166	-59.1	-168.5	172.6	0	0	110.1	L35 F419 K740	L35-E421 CarbonylContact O-C 3.55Å; L35-E421 WeakPolarHBondContact O-CA 3.41Å; F419-E421 PolarHBondContact O-N 3.17Å; E421-K740 WeakPolarHBondContact OE1-CE 3.32Å; E421-K740 IonicContact OE1-NZ 3.75Å; E421-K740 PolarHBondContact OE1-NZ 2.86Å; E421-K740 IonicContact OE2-NZ 3.84Å; E421-K740 PolarHBondContact OE2-NZ 3.49Å
422	V	97.8	Very high	95.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.4	-172.5	-174.2	0	0	0	0	109.7	L35 V420 I758 R760 R761 V762	L35-V422 WeakPolarHBondContact CB-O 3.34Å; L35-V422 PolarHBondContact N-O 2.94Å; L35-V422 PolarHBondContact O-N 2.89Å; V420-V422 HydrophobicContact CG1-CG2 3.98Å; V422-I758 HydrophobicContact CG1-CG2 3.35Å; V422-R760 WeakPolarHBondContact CG1-O 3.35Å; V422-R761 HydrophobicContact CG1-CB 4.11Å; V422-R761 HydrophobicContact CG1-CG 4.47Å; V422-R761 HydrophobicContact CG2-CB 4.2Å; V422-V762 HydrophobicContact CG1-CG2 4.37Å; V422-V762 HydrophobicContact CG2-CG1 3.73Å; V422-V762 HydrophobicContact CG2-CG2 4.27Å
423	P	98	Very high	96	Very high	46 Å²	46	32.4 Å²	32.4	30%	0.299	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.9	170.1	30.6	-33.2	0	0	0	109.5	R760	P423-R760 HydrophobicContact CG-CB 4.13Å
424	G	98.5	Very high	96.2	Very high	5 Å²	5	32.4 Å²	32.4	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	170.8	170.5	0	0	0	0	0	111.5	I33 V757	I33-G424 PolarHBondContact N-O 3.16Å; I33-G424 WeakPolarHBondContact O-CA 3.29Å; I33-G424 PolarHBondContact O-N 3.4Å; I33-G424 VanDerWaalsContact O-O 3.13Å; G424-V757 VanDerWaalsContact CA-O 3.24Å; G424-V757 WeakPolarHBondContact CA-O 3.3Å
425	R	98.6	Very high	96.4	Very high	17 Å²	17	35.4 Å²	35.4	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.9	171.1	-67	170.1	-67.4	114.2	-1.4	109.2	G27 E29 K31 T756 V757 D759 D799	G27-R425 VanDerWaalsContact CA-NH2 3.26Å; G27-R425 VanDerWaalsContact O-CZ 3.22Å; G27-R425 PolarHBondContact O-NE 2.9Å; G27-R425 VanDerWaalsContact O-NE 3.12Å; G27-R425 PolarHBondContact O-NH2 3.49Å; E29-R425 WeakPolarHBondContact O-CD 3.15Å; E29-R425 PolarHBondContact O-NH1 3.06Å; K31-R425 CarbonylContact O-C 3.33Å; K31-R425 VanDerWaalsContact O-CA 3.3Å; K31-R425 WeakPolarHBondContact O-CA 3.34Å; R425-T756 CarbonylContact O-C 3.55Å; R425-T756 VanDerWaalsContact O-CA 3.25Å; R425-T756 WeakPolarHBondContact O-CA 3.2Å; R425-V757 HydrophobicContact CB-CG1 3.85Å; R425-V757 PolarHBondContact N-O 3.03Å; R425-V757 WeakPolarHBondContact O-CG1 3.46Å; R425-V757 PolarHBondContact O-N 3.31Å; R425-D759 IonicContact CZ-OD2 3.28Å; R425-D759 IonicContact NH2-OD1 3.11Å; R425-D759 IonicContact NH2-OD2 2.83Å; R425-D759 PolarHBondContact NH2-OD2 3.43Å; R425-D799 IonicContact NH1-OD1 3.48Å; R425-D799 PolarHBondContact NH1-OD1 3.2Å
426	V	98.5	Very high	96.5	Very high	32 Å²	32	42.4 Å²	42.4	19%	0.194	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.1	173.5	-171.8	0	0	0	0	107.6	G30 K31 I33 P753	G30-V426 CarbonylContact C-O 3.17Å; G30-V426 VanDerWaalsContact CA-O 3.24Å; G30-V426 WeakPolarHBondContact CA-O 3.34Å; K31-V426 PolarHBondContact N-O 2.82Å; K31-V426 PolarHBondContact O-N 2.79Å; I33-V426 HydrophobicContact CB-CG2 4.19Å; I33-V426 HydrophobicContact CD1-CG2 4.35Å; I33-V426 HydrophobicContact CG2-CG2 3.77Å; V426-P753 HydrophobicContact CG1-CB 4.37Å; V426-P753 HydrophobicContact CG1-CG 4.16Å; V426-P753 HydrophobicContact CG2-CG 3.64Å
427	L	98.4	Very high	96.2	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.042	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-65.3	142.9	179.4	-61.1	179	0	0	0	110.6	E29 G755 V757 L772 Q802 Y806	E29-L427 HydrophobicContact CB-CD2 4.49Å; E29-L427 WeakPolarHBondContact O-CD2 3.29Å; L427-G755 PolarHBondContact N-O 2.96Å; L427-V757 HydrophobicContact CD1-CB 4.37Å; L427-V757 HydrophobicContact CD1-CG1 4.38Å; L427-V757 HydrophobicContact CD2-CG1 4.08Å; L427-V757 HydrophobicContact CG-CB 4.42Å; L427-V757 HydrophobicContact CG-CG1 4.03Å; L427-L772 HydrophobicContact CD1-CD1 4.29Å; L427-Q802 HydrophobicContact CD1-CB 4.08Å; L427-Y806 HydrophobicContact CB-CD1 3.78Å; L427-Y806 HydrophobicContact CB-CE1 4.07Å; L427-Y806 HydrophobicContact CD1-CD1 4.28Å
428	P	97.3	Very high	95.9	Very high	69 Å²	69	46 Å²	46	45%	0.448	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-63.5	137.9	169.6	28.1	-33.2	0	0	0	109.8
429	P	97.5	Very high	95.7	Very high	42 Å²	42	50.5 Å²	50.5	27%	0.273	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-70	154.3	172.9	29.2	-32	0	0	0	110.6	P445 Y806	P429-P445 HydrophobicContact CB-CB 3.93Å; P429-P445 HydrophobicContact CB-CG 4.22Å; P429-P445 HydrophobicContact CG-CB 4.33Å; P429-P445 WeakPolarHBondContact CG-O 3.41Å; P429-Y806 HydrophobicContact CB-CE1 4.28Å
430	P	97.2	Very high	95.3	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.013	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-66.1	152	172.6	30.1	-35.1	0	0	0	110.7	L432 P445 L598 Y807 H810	P430-L432 HydrophobicContact CG-CD2 4.27Å; P430-P445 WeakPolarHBondContact O-CD 3.35Å; P430-L598 HydrophobicContact CB-CD2 3.66Å; P430-L598 HydrophobicContact CG-CD2 3.81Å; P430-Y807 HydrophobicContact CB-CD1 3.8Å; P430-Y807 HydrophobicContact CB-CD2 3.71Å; P430-Y807 HydrophobicContact CB-CE1 3.89Å; P430-Y807 HydrophobicContact CB-CE2 3.8Å; P430-Y807 HydrophobicContact CB-CG 3.7Å; P430-Y807 HydrophobicContact CG-CD1 3.98Å; P430-Y807 HydrophobicContact CG-CE1 4.37Å; P430-Y807 HydrophobicContact CG-CG 4.06Å; P430-H810 WeakPolarHBondContact CD-CE1 3.1Å; P430-H810 WeakPolarHBondContact CD-ND1 3.38Å; P430-H810 HydrophobicContact CG-CB 3.87Å
431	K	96.9	Very high	95.2	Very high	90 Å²	90	52.3 Å²	52.3	39%	0.391	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-77.6	138	164.5	-55.7	-165.6	-172.7	-150	0	109.4	V442 E444 L599	K431-V442 HydrophobicContact CB-CG1 3.77Å; K431-V442 HydrophobicContact CD-CG1 4.11Å; K431-V442 HydrophobicContact CG-CG1 4.41Å; K431-E444 HydrophobicContact CD-CG 4.38Å; K431-E444 WeakPolarHBondContact CD-OE1 3.46Å; K431-E444 WeakPolarHBondContact CE-OE1 3.5Å; K431-E444 HydrophobicContact CG-CG 4.2Å; K431-E444 IonicContact NZ-OE1 2.72Å; K431-E444 PolarHBondContact NZ-OE1 3.2Å; K431-L599 HydrophobicContact CB-CB 3.84Å; K431-L599 HydrophobicContact CB-CD2 3.73Å; K431-L599 HydrophobicContact CB-CG 4.44Å; K431-L599 HydrophobicContact CD-CD2 3.89Å; K431-L599 HydrophobicContact CG-CD2 4.34Å; K431-L599 WeakPolarHBondContact O-CB 3.33Å; K431-L599 PolarHBondContact O-N 2.91Å
432	L	96.8	Very high	95.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.5	-177.5	-59.1	-177.8	0	0	0	110.5	P430 Y434 V442 V443 P445 W450 L598 H810	P430-L432 HydrophobicContact CG-CD2 4.27Å; L432-Y434 HydrophobicContact CB-CD2 4.46Å; L432-Y434 HydrophobicContact CB-CE2 4.17Å; L432-V442 CarbonylContact O-C 3.58Å; L432-V442 WeakPolarHBondContact O-CA 3.47Å; L432-V443 WeakPolarHBondContact CB-O 3.27Å; L432-V443 PolarHBondContact N-O 3.43Å; L432-V443 PolarHBondContact O-N 2.72Å; L432-P445 HydrophobicContact CD1-CG 3.76Å; L432-P445 HydrophobicContact CG-CG 3.96Å; L432-W450 HydrophobicContact CD1-CD2 3.7Å; L432-W450 VanDerWaalsContact CD1-CE2 3.41Å; L432-W450 HydrophobicContact CD1-CE3 4.08Å; L432-W450 HydrophobicContact CD1-CG 4.24Å; L432-W450 HydrophobicContact CD1-CH2 3.97Å; L432-W450 HydrophobicContact CD1-CZ2 3.58Å; L432-W450 HydrophobicContact CD1-CZ3 4.18Å; L432-L598 HydrophobicContact CD2-CD2 4.04Å; L432-H810 HydrophobicContact CD2-CB 4.03Å
433	E	95.6	Very high	95	Very high	17 Å²	17	52.6 Å²	52.6	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.7	179.3	-154.2	175	170.3	0	0	110.9	S440 F458 T596 R597	E433-S440 WeakPolarHBondContact CG-OG 3.35Å; E433-S440 WeakPolarHBondContact OE1-CB 3.31Å; E433-S440 PolarHBondContact OE1-OG 3.26Å; E433-F458 HydrophobicContact CB-CD2 4.47Å; E433-F458 HydrophobicContact CG-CD2 4.29Å; E433-F458 HydrophobicContact CG-CE2 4.35Å; E433-T596 WeakPolarHBondContact O-CA 3.45Å; E433-T596 PolarHBondContact O-OG1 3.09Å; E433-R597 HydrophobicContact CB-CG 3.77Å; E433-R597 PolarHBondContact N-O 3.15Å; E433-R597 PolarHBondContact O-N 3.34Å; E433-R597 IonicContact OE1-CZ 2.68Å; E433-R597 IonicContact OE1-NE 2.81Å; E433-R597 IonicContact OE1-NH2 3.11Å; E433-R597 PolarHBondContact OE1-NH2 2.9Å; E433-R597 IonicContact OE2-CZ 2.98Å; E433-R597 IonicContact OE2-NE 3.82Å; E433-R597 PolarHBondContact OE2-NE 3.38Å; E433-R597 IonicContact OE2-NH2 3.18Å; E433-R597 PolarHBondContact OE2-NH2 2.9Å
434	Y	96.2	Very high	94.9	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	176.8	178	-79.9	-83.2	0	0	0	109.2	L432 A441 V443 W450 M452 V455 Q456 N595 T596	L432-Y434 HydrophobicContact CB-CD2 4.46Å; L432-Y434 HydrophobicContact CB-CE2 4.17Å; Y434-A441 PolarHBondContact N-O 2.8Å; Y434-A441 PolarHBondContact O-N 3.18Å; Y434-V443 HydrophobicContact CD2-CB 3.95Å; Y434-V443 HydrophobicContact CD2-CG2 3.61Å; Y434-V443 HydrophobicContact CE2-CB 4.17Å; Y434-V443 HydrophobicContact CE2-CG2 4.15Å; Y434-V443 HydrophobicContact CG-CG2 4.41Å; Y434-W450 AromaticContact CE2-NE1 3.88Å; Y434-W450 AromaticContact CZ-NE1 3.78Å; Y434-W450 PolarHBondContact OH-NE1 3.46Å; Y434-M452 HydrophobicContact CD1-CE 3.73Å; Y434-M452 HydrophobicContact CD1-CG 4.44Å; Y434-M452 HydrophobicContact CD1-SD 4.4Å; Y434-M452 HydrophobicContact CE1-CE 3.48Å; Y434-M452 VanDerWaalsContact CE1-CE 3.48Å; Y434-M452 HydrophobicContact CE1-CG 3.76Å; Y434-M452 HydrophobicContact CE1-SD 3.58Å; Y434-M452 VanDerWaalsContact CE1-SD 3.58Å; Y434-V455 HydrophobicContact CD1-CG2 4.31Å; Y434-V455 HydrophobicContact CG-CB 4.48Å; Y434-V455 HydrophobicContact CG-CG2 4.11Å; Y434-Q456 VanDerWaalsContact CD1-O 3.31Å; Y434-Q456 WeakPolarHBondContact CD1-O 3.4Å; Y434-N595 WeakPolarHBondContact CD1-O 3.47Å; Y434-N595 WeakPolarHBondContact CE1-O 3.39Å; Y434-T596 WeakPolarHBondContact CE2-OG1 3.35Å
435	K	95	Very high	94.8	Very high	89 Å²	89	56.3 Å²	56.3	39%	0.387	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	143.9	175.8	-174	172.6	176.7	177.1	0	110.7	G437 V455 Q456 F457	K435-G437 WeakPolarHBondContact CE-O 3.47Å; K435-G437 WeakPolarHBondContact CG-O 3.46Å; K435-V455 CarbonylContact O-C 3.55Å; K435-V455 WeakPolarHBondContact O-CA 3.32Å; K435-Q456 HydrophobicContact CB-CB 4.26Å; K435-Q456 PolarHBondContact N-O 3.48Å; K435-Q456 PolarHBondContact O-N 2.87Å; K435-F457 VanDerWaalsContact CB-O 3.26Å; K435-F457 WeakPolarHBondContact CB-O 2.92Å
436	R	92.6	Very high	94.5	Very high	148 Å²	148	59.7 Å²	59.7	56%	0.558	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	98.8	167	-178.7	179.9	-75.6	174.5	0.8	108.6	S438 R439 A441 G454	R436-S438 PolarHBondContact O-N 3.06Å; R436-R439 PolarHBondContact N-O 3.07Å; R436-R439 PolarHBondContact O-N 3.22Å; R436-A441 HydrophobicContact CB-CB 3.78Å; R436-G454 PolarHBondContact NE-O 3.44Å
437	G	87.3	Confident	94.2	Very high	45 Å²	45	60.1 Å²	60.1	46%	0.464	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	-126.7	-171.6	0	0	0	0	0	110.3	K435 R439	K435-G437 WeakPolarHBondContact CE-O 3.47Å; K435-G437 WeakPolarHBondContact CG-O 3.46Å; G437-R439 VanDerWaalsContact C-N 3.33Å
438	S	85.3	Confident	93.9	Very high	123 Å²	123	59.7 Å²	59.7	86%	0.86	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.8	175.4	54.6	0	0	0	0	114.4	R436	R436-S438 PolarHBondContact O-N 3.06Å
439	R	90.3	Very high	93.8	Very high	197 Å²	197	58.8 Å²	58.8	74%	0.743	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	158.6	-174.2	-61	-177.2	-176.6	174.9	1.2	112.1	R436 G437	R436-R439 PolarHBondContact N-O 3.07Å; R436-R439 PolarHBondContact O-N 3.22Å; G437-R439 VanDerWaalsContact C-N 3.33Å
440	S	89.7	Confident	93.7	Very high	66 Å²	66	57.7 Å²	57.7	46%	0.462	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	144.4	166.8	179.3	0	0	0	0	110.6	E433	E433-S440 WeakPolarHBondContact CG-OG 3.35Å; E433-S440 WeakPolarHBondContact OE1-CB 3.31Å; E433-S440 PolarHBondContact OE1-OG 3.26Å
441	A	94.6	Very high	93.3	Very high	11 Å²	11	62.7 Å²	62.7	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.2	174.3	0	0	0	0	0	110	Y434 R436 V455	Y434-A441 PolarHBondContact N-O 2.8Å; Y434-A441 PolarHBondContact O-N 3.18Å; R436-A441 HydrophobicContact CB-CB 3.78Å; A441-V455 HydrophobicContact CB-CG1 3.78Å
442	V	95.6	Very high	92.8	Very high	73 Å²	73	59.6 Å²	59.6	44%	0.442	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.3	179	-177.3	0	0	0	0	109.6	K431 L432 L599	K431-V442 HydrophobicContact CB-CG1 3.77Å; K431-V442 HydrophobicContact CD-CG1 4.11Å; K431-V442 HydrophobicContact CG-CG1 4.41Å; L432-V442 CarbonylContact O-C 3.58Å; L432-V442 WeakPolarHBondContact O-CA 3.47Å; V442-L599 HydrophobicContact CG1-CD2 4.44Å; V442-L599 HydrophobicContact CG2-CD1 4.07Å; V442-L599 HydrophobicContact CG2-CD2 4.41Å
443	V	95.9	Very high	92.4	Very high	22 Å²	22	68.9 Å²	68.9	13%	0.133	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.8	174.1	177.5	0	0	0	0	108.1	L432 Y434 W450 V455	L432-V443 WeakPolarHBondContact CB-O 3.27Å; L432-V443 PolarHBondContact N-O 3.43Å; L432-V443 PolarHBondContact O-N 2.72Å; Y434-V443 HydrophobicContact CD2-CB 3.95Å; Y434-V443 HydrophobicContact CD2-CG2 3.61Å; Y434-V443 HydrophobicContact CE2-CB 4.17Å; Y434-V443 HydrophobicContact CE2-CG2 4.15Å; Y434-V443 HydrophobicContact CG-CG2 4.41Å; V443-W450 HydrophobicContact CG1-CB 3.84Å; V443-W450 HydrophobicContact CG1-CG 4.18Å; V443-V455 HydrophobicContact CG2-CG1 4.42Å; V443-V455 HydrophobicContact CG2-CG2 4.36Å
444	E	94.9	Very high	92.1	Very high	120 Å²	120	71 Å²	71	56%	0.561	38%	0.379	S	S	*	.			trans	-103.2	118.3	178.3	-61.9	-169.5	173.6	0	0	109.5	K431	K431-E444 HydrophobicContact CD-CG 4.38Å; K431-E444 WeakPolarHBondContact CD-OE1 3.46Å; K431-E444 WeakPolarHBondContact CE-OE1 3.5Å; K431-E444 HydrophobicContact CG-CG 4.2Å; K431-E444 IonicContact NZ-OE1 2.72Å; K431-E444 PolarHBondContact NZ-OE1 3.2Å
445	P	96	Very high	92	Very high	8 Å²	8	71.3 Å²	71.3	5%	0.052	38%	0.382	C	S	.	.			trans	-60.4	142.9	172	-22.7	34.6	0	0	0	111.5	P429 P430 L432 W450	P429-P445 HydrophobicContact CB-CB 3.93Å; P429-P445 HydrophobicContact CB-CG 4.22Å; P429-P445 HydrophobicContact CG-CB 4.33Å; P429-P445 WeakPolarHBondContact CG-O 3.41Å; P430-P445 WeakPolarHBondContact O-CD 3.35Å; L432-P445 HydrophobicContact CD1-CG 3.76Å; L432-P445 HydrophobicContact CG-CG 3.96Å; P445-W450 HydrophobicContact CB-CE3 3.9Å; P445-W450 HydrophobicContact CG-CD2 4.44Å; P445-W450 HydrophobicContact CG-CE3 3.94Å; P445-W450 HydrophobicContact CG-CZ3 4.41Å
446	S	93.4	Very high	92.1	Very high	88 Å²	88	69.6 Å²	69.6	62%	0.615	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-121.4	123.2	169.4	-178.1	0	0	0	0	109.3	G448 T449	S446-G448 PolarHBondContact O-N 2.95Å; S446-G448 VanDerWaalsContact O-N 3.12Å; S446-T449 PolarHBondContact N-O 3.22Å; S446-T449 PolarHBondContact O-N 2.9Å; S446-T449 VanDerWaalsContact O-O 3.09Å; S446-T449 PolarHBondContact O-OG1 3.13Å
447	N	91.3	Very high	92.3	Very high	41 Å²	41	62.6 Å²	62.6	22%	0.219	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	44.9	-179.2	-168.1	43.4	0	0	0	113.4	V746 P753 A754 T776	N447-V746 WeakPolarHBondContact ND2-CB 3.33Å; N447-V746 WeakPolarHBondContact ND2-CG1 3.41Å; N447-P753 WeakPolarHBondContact OD1-CA 3.37Å; N447-P753 WeakPolarHBondContact OD1-CB 3.12Å; N447-A754 VanDerWaalsContact C-CB 3.47Å; N447-A754 PolarHBondContact OD1-N 3.29Å; N447-T776 PolarHBondContact O-OG1 3.3Å
448	G	93.1	Very high	92.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	12.7	177.2	0	0	0	0	0	115.3	S446 R817 S818	S446-G448 PolarHBondContact O-N 2.95Å; S446-G448 VanDerWaalsContact O-N 3.12Å; G448-R817 CarbonylContact O-C 3.47Å; G448-R817 VanDerWaalsContact O-CA 3.3Å; G448-R817 WeakPolarHBondContact O-CA 3.39Å; G448-S818 PolarHBondContact O-N 2.76Å
449	T	94.9	Very high	93.2	Very high	50 Å²	50	61.3 Å²	61.3	31%	0.307	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-134.9	152.7	176.4	64.4	0	0	0	0	112.2	S446 T776 R817	S446-T449 PolarHBondContact N-O 3.22Å; S446-T449 PolarHBondContact O-N 2.9Å; S446-T449 VanDerWaalsContact O-O 3.09Å; S446-T449 PolarHBondContact O-OG1 3.13Å; T449-T776 WeakPolarHBondContact CG2-OG1 3.2Å; T449-R817 HydrophobicContact CG2-CG 4.16Å
450	W	94.7	Very high	93.4	Very high	19 Å²	19	53 Å²	53	7%	0.072	29%	0.292	C	S	.	.			trans	-148.8	173.6	170.8	61.2	101.7	0	0	0	110.5	L432 Y434 V443 P445 H810 M816 R817 S818	L432-W450 HydrophobicContact CD1-CD2 3.7Å; L432-W450 VanDerWaalsContact CD1-CE2 3.41Å; L432-W450 HydrophobicContact CD1-CE3 4.08Å; L432-W450 HydrophobicContact CD1-CG 4.24Å; L432-W450 HydrophobicContact CD1-CH2 3.97Å; L432-W450 HydrophobicContact CD1-CZ2 3.58Å; L432-W450 HydrophobicContact CD1-CZ3 4.18Å; Y434-W450 AromaticContact CE2-NE1 3.88Å; Y434-W450 AromaticContact CZ-NE1 3.78Å; Y434-W450 PolarHBondContact OH-NE1 3.46Å; V443-W450 HydrophobicContact CG1-CB 3.84Å; V443-W450 HydrophobicContact CG1-CG 4.18Å; P445-W450 HydrophobicContact CB-CE3 3.9Å; P445-W450 HydrophobicContact CG-CD2 4.44Å; P445-W450 HydrophobicContact CG-CE3 3.94Å; P445-W450 HydrophobicContact CG-CZ3 4.41Å; W450-H810 HydrophobicContact CH2-CB 4.31Å; W450-H810 WeakPolarHBondContact CH2-O 3.23Å; W450-H810 AromaticContact CZ3-CD2 3.8Å; W450-M816 HydrophobicContact CD2-CB 4.31Å; W450-M816 HydrophobicContact CG-CB 4.33Å; W450-M816 PolarHBondContact N-O 3.36Å; W450-M816 VanDerWaalsContact N-O 3.15Å; W450-M816 WeakPolarHBondContact O-CB 3.25Å; W450-R817 VanDerWaalsContact CH2-N 3.35Å; W450-R817 VanDerWaalsContact CZ3-CA 3.46Å; W450-S818 VanDerWaalsContact CZ3-N 3.32Å
451	Q	89.5	Confident	93.7	Very high	107 Å²	107	50 Å²	50	50%	0.5	27%	0.272	S	S	.	.			trans	-132.2	145.4	177	-63.9	-175.4	-2.1	0	0	110.2	R453	Q451-R453 VanDerWaalsContact C-N 3.27Å; Q451-R453 HydrophobicContact CB-CG 4.22Å; Q451-R453 PolarHBondContact O-N 3.27Å; Q451-R453 VanDerWaalsContact O-N 3.13Å
452	M	87.3	Confident	93.7	Very high	25 Å²	25	57 Å²	57	12%	0.123	30%	0.3	C	S	.	.			trans	-86.2	56.5	175.3	-70.3	-177.6	67.1	0	0	112.2	Y434 G454 V455 F457 L494 L585 M816	Y434-M452 HydrophobicContact CD1-CE 3.73Å; Y434-M452 HydrophobicContact CD1-CG 4.44Å; Y434-M452 HydrophobicContact CD1-SD 4.4Å; Y434-M452 HydrophobicContact CE1-CE 3.48Å; Y434-M452 VanDerWaalsContact CE1-CE 3.48Å; Y434-M452 HydrophobicContact CE1-CG 3.76Å; Y434-M452 HydrophobicContact CE1-SD 3.58Å; Y434-M452 VanDerWaalsContact CE1-SD 3.58Å; M452-G454 PolarHBondContact O-N 3.15Å; M452-V455 HydrophobicContact CB-CG2 3.82Å; M452-V455 HydrophobicContact CE-CG2 4.44Å; M452-V455 HydrophobicContact CG-CG2 4.16Å; M452-F457 HydrophobicContact CE-CD1 3.52Å; M452-F457 HydrophobicContact CE-CE1 3.69Å; M452-F457 HydrophobicContact CE-CG 4.41Å; M452-F457 HydrophobicContact SD-CD1 4.06Å; M452-F457 HydrophobicContact SD-CE1 3.74Å; M452-L494 HydrophobicContact CE-CD2 3.98Å; M452-L585 HydrophobicContact SD-CD2 4.42Å; M452-M816 HydrophobicContact CB-SD 4.02Å; M452-M816 HydrophobicContact CG-CG 4.26Å; M452-M816 HydrophobicContact CG-SD 3.65Å; M452-M816 HydrophobicContact SD-CG 4.5Å; M452-M816 HydrophobicContact SD-SD 4.19Å
453	R	86.5	Confident	93.7	Very high	194 Å²	194	53.5 Å²	53.5	73%	0.732	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	119.1	177.5	-68.8	-169.1	-172.3	-153.9	1.8	110.9	Q451 V455	Q451-R453 VanDerWaalsContact C-N 3.27Å; Q451-R453 HydrophobicContact CB-CG 4.22Å; Q451-R453 PolarHBondContact O-N 3.27Å; Q451-R453 VanDerWaalsContact O-N 3.13Å; R453-V455 PolarHBondContact O-N 3.32Å
454	G	89.4	Confident	93.5	Very high	61 Å²	61	55.4 Å²	55.4	63%	0.629	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	26.9	176.7	0	0	0	0	0	113.6	R436 M452	R436-G454 PolarHBondContact NE-O 3.44Å; M452-G454 PolarHBondContact O-N 3.15Å
455	V	94.9	Very high	93.5	Very high	10 Å²	10	51.4 Å²	51.4	6%	0.061	28%	0.28	C	S	.	.			trans	-135.1	155.3	175.2	-60.5	0	0	0	0	109.9	Y434 K435 A441 V443 M452 R453	Y434-V455 HydrophobicContact CD1-CG2 4.31Å; Y434-V455 HydrophobicContact CG-CB 4.48Å; Y434-V455 HydrophobicContact CG-CG2 4.11Å; K435-V455 CarbonylContact O-C 3.55Å; K435-V455 WeakPolarHBondContact O-CA 3.32Å; A441-V455 HydrophobicContact CB-CG1 3.78Å; V443-V455 HydrophobicContact CG2-CG1 4.42Å; V443-V455 HydrophobicContact CG2-CG2 4.36Å; M452-V455 HydrophobicContact CB-CG2 3.82Å; M452-V455 HydrophobicContact CE-CG2 4.44Å; M452-V455 HydrophobicContact CG-CG2 4.16Å; R453-V455 PolarHBondContact O-N 3.32Å
456	Q	96.4	Very high	93.6	Very high	54 Å²	54	51 Å²	51	25%	0.252	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-113.1	166.1	177.7	-66.8	-178.3	-50.8	0	0	109.4	Y434 K435 F458 D493 L494	Y434-Q456 VanDerWaalsContact CD1-O 3.31Å; Y434-Q456 WeakPolarHBondContact CD1-O 3.4Å; K435-Q456 HydrophobicContact CB-CB 4.26Å; K435-Q456 PolarHBondContact N-O 3.48Å; K435-Q456 PolarHBondContact O-N 2.87Å; Q456-F458 PolarHBondContact O-N 3.37Å; Q456-D493 PolarHBondContact NE2-O 3.25Å; Q456-L494 WeakPolarHBondContact CB-O 3.42Å
457	F	96.8	Very high	93.8	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.248	C	C	.	.			trans	-53.5	143.2	172.3	-63.4	-42	0	0	0	110.8	K435 M452 Q459 L494 V496 A584 L585 N588 N595	K435-F457 VanDerWaalsContact CB-O 3.26Å; K435-F457 WeakPolarHBondContact CB-O 2.92Å; M452-F457 HydrophobicContact CE-CD1 3.52Å; M452-F457 HydrophobicContact CE-CE1 3.69Å; M452-F457 HydrophobicContact CE-CG 4.41Å; M452-F457 HydrophobicContact SD-CD1 4.06Å; M452-F457 HydrophobicContact SD-CE1 3.74Å; F457-Q459 PolarHBondContact O-N 2.72Å; F457-L494 HydrophobicContact CD2-CB 3.88Å; F457-L494 WeakPolarHBondContact CD2-O 3.31Å; F457-L494 HydrophobicContact CE1-CD1 4.24Å; F457-L494 HydrophobicContact CE2-CB 3.63Å; F457-L494 HydrophobicContact CE2-CD1 4.02Å; F457-L494 HydrophobicContact CE2-CG 4.47Å; F457-L494 HydrophobicContact CG-CB 4.46Å; F457-L494 HydrophobicContact CZ-CB 3.99Å; F457-L494 HydrophobicContact CZ-CD1 3.61Å; F457-L494 HydrophobicContact CZ-CG 4.38Å; F457-L494 PolarHBondContact N-O 2.73Å; F457-V496 HydrophobicContact CD2-CG2 3.62Å; F457-V496 HydrophobicContact CE2-CG2 3.71Å; F457-A584 HydrophobicContact CE2-CB 4.4Å; F457-A584 HydrophobicContact CZ-CB 4.24Å; F457-L585 HydrophobicContact CD1-CD2 4.4Å; F457-L585 HydrophobicContact CE1-CD2 3.46Å; F457-L585 VanDerWaalsContact CE1-CD2 3.46Å; F457-L585 HydrophobicContact CE1-CG 4.25Å; F457-L585 HydrophobicContact CZ-CD2 4.03Å; F457-L585 HydrophobicContact CZ-CG 4.38Å; F457-N588 HydrophobicContact CD2-CB 3.79Å; F457-N588 VanDerWaalsContact CD2-CG 3.5Å; F457-N588 WeakPolarHBondContact CD2-ND2 3.45Å; F457-N588 HydrophobicContact CE2-CB 3.69Å; F457-N588 HydrophobicContact CZ-CB 4.4Å; F457-N595 WeakPolarHBondContact CA-O 3.49Å; F457-N595 HydrophobicContact CD1-CB 3.88Å; F457-N595 HydrophobicContact CE1-CB 4.26Å
458	F	95.9	Very high	94.1	Very high	48 Å²	48	44.9 Å²	44.9	21%	0.211	24%	0.237	C	C	.	.	S	Bend	trans	-51.6	-46.5	178.2	177.5	-96.9	0	0	0	111.2	E433 Q456 V594 N595 R597	E433-F458 HydrophobicContact CB-CD2 4.47Å; E433-F458 HydrophobicContact CG-CD2 4.29Å; E433-F458 HydrophobicContact CG-CE2 4.35Å; Q456-F458 PolarHBondContact O-N 3.37Å; F458-V594 HydrophobicContact CB-CG1 4.3Å; F458-V594 HydrophobicContact CD1-CB 4.14Å; F458-V594 HydrophobicContact CD1-CG1 3.99Å; F458-V594 PolarHBondContact N-O 3.48Å; F458-N595 PolarHBondContact N-O 2.92Å; F458-R597 HydrophobicContact CD1-CG 4.43Å; F458-R597 HydrophobicContact CD2-CG 4.1Å; F458-R597 HydrophobicContact CE2-CG 4.27Å; F458-R597 HydrophobicContact CG-CG 4.22Å; F458-R597 VanDerWaalsContact CZ-NE 3.3Å
459	Q	95.7	Very high	94.4	Very high	92 Å²	92	44.9 Å²	44.9	43%	0.43	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-136.2	120.1	171.8	-178.4	174.5	-32.1	0	0	110.2	F457 N588 G593 V594	F457-Q459 PolarHBondContact O-N 2.72Å; Q459-N588 PolarHBondContact O-ND2 3.11Å; Q459-G593 CarbonylContact O-C 3.52Å; Q459-G593 VanDerWaalsContact O-CA 3.23Å; Q459-G593 WeakPolarHBondContact O-CA 3.39Å; Q459-V594 HydrophobicContact CB-CB 4.01Å; Q459-V594 HydrophobicContact CB-CG2 4.47Å; Q459-V594 PolarHBondContact N-O 3.45Å; Q459-V594 PolarHBondContact O-N 3.17Å; Q459-V594 VanDerWaalsContact O-O 3.12Å
460	G	95.6	Very high	94.4	Very high	23 Å²	23	42.6 Å²	42.6	24%	0.237	22%	0.224	C	C	.	.			trans	-80	132.5	173.4	0	0	0	0	0	112	G495 N588	G460-G495 WeakPolarHBondContact CA-O 3.45Å; G460-N588 WeakPolarHBondContact CA-OD1 3.42Å
461	G	95.5	Very high	94.5	Very high	4 Å²	4	41.7 Å²	41.7	4%	0.041	22%	0.22	C	C	.	.			trans	-70.3	171.4	170.4	0	0	0	0	0	112.1	V496 T497 N588 M591	G461-V496 VanDerWaalsContact O-CG1 3.3Å; G461-V496 WeakPolarHBondContact O-CG1 3.33Å; G461-T497 PolarHBondContact O-N 2.76Å; G461-N588 PolarHBondContact N-OD1 2.6Å; G461-M591 WeakPolarHBondContact CA-O 3.4Å
462	K	95.4	Very high	94.2	Very high	157 Å²	157	38.3 Å²	38.3	68%	0.683	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.1	-178.6	-62.7	-179.2	-177.3	177.7	0	110.8	M591	K462-M591 WeakPolarHBondContact O-CE 3.47Å
463	C	95	Very high	93.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	64	179.7	-170.7	0	0	0	0	110.8	N465 T497 M498 G499 L534 M591	C463-N465 PolarHBondContact O-N 3.04Å; C463-T497 CarbonylContact C-O 3.56Å; C463-T497 PolarHBondContact N-O 2.8Å; C463-M498 HydrophobicContact CB-CG 4.23Å; C463-M498 WeakPolarHBondContact O-CA 3.44Å; C463-G499 PolarHBondContact O-N 2.76Å; C463-G499 VanDerWaalsContact O-N 3.13Å; C463-L534 VanDerWaalsContact SG-CB 3.57Å; C463-M591 HydrophobicContact CB-CE 4.01Å; C463-M591 HydrophobicContact CB-CG 3.97Å; C463-M591 HydrophobicContact CB-SD 4.21Å
464	A	91.1	Very high	93.7	Very high	62 Å²	62	41.8 Å²	41.8	51%	0.512	24%	0.237	S	C	.	.	S	Bend	trans	-57.2	-39.1	-179.7	0	0	0	0	0	112.5	G499	A464-G499 WeakPolarHBondContact O-CA 3.46Å
465	N	95.5	Very high	93.3	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.193	24%	0.242	C	C	.	.			trans	-119.7	121.9	-173.9	-65.3	105.5	0	0	0	111.1	C463 D503 Y525 V531 R533	C463-N465 PolarHBondContact O-N 3.04Å; N465-D503 PolarHBondContact ND2-OD2 2.91Å; N465-Y525 HydrophobicContact CB-CE1 3.77Å; N465-V531 WeakPolarHBondContact CB-O 3.21Å; N465-R533 PolarHBondContact O-N 2.86Å; N465-R533 VanDerWaalsContact O-N 3.13Å
466	F	97.7	Very high	92.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	156.6	176.4	76.1	-88	0	0	0	110.5	C484 A488 M498 G499 K501 A502 D503 Y525 L534 F536	F466-C484 HydrophobicContact CE2-CB 3.89Å; F466-C484 HydrophobicContact CZ-CB 4.43Å; F466-A488 HydrophobicContact CE1-CB 4.29Å; F466-A488 HydrophobicContact CZ-CB 4.06Å; F466-M498 HydrophobicContact CB-CE 4.3Å; F466-M498 HydrophobicContact CD1-CE 3.51Å; F466-M498 HydrophobicContact CD1-CG 4.03Å; F466-M498 HydrophobicContact CD2-CE 3.98Å; F466-M498 HydrophobicContact CE1-CE 3.69Å; F466-M498 HydrophobicContact CE1-CG 4.02Å; F466-M498 HydrophobicContact CE2-CE 4.12Å; F466-M498 HydrophobicContact CG-CE 3.65Å; F466-M498 HydrophobicContact CZ-CE 3.98Å; F466-G499 VanDerWaalsContact CE1-O 3.31Å; F466-G499 WeakPolarHBondContact CE1-O 3.28Å; F466-K501 WeakPolarHBondContact CE1-O 3.09Å; F466-K501 WeakPolarHBondContact CZ-O 3.08Å; F466-A502 HydrophobicContact CD2-CB 4.28Å; F466-A502 HydrophobicContact CE2-CB 3.86Å; F466-A502 CarbonylContact O-C 3.4Å; F466-A502 WeakPolarHBondContact O-CA 3.36Å; F466-D503 PolarHBondContact O-N 3.07Å; F466-Y525 VanDerWaalsContact C-OH 3.25Å; F466-Y525 PolarHBondContact N-OH 3.49Å; F466-Y525 PolarHBondContact O-OH 2.97Å; F466-L534 VanDerWaalsContact CA-O 3.23Å; F466-L534 WeakPolarHBondContact CA-O 3.16Å; F466-L534 HydrophobicContact CB-CB 3.99Å; F466-L534 VanDerWaalsContact CB-O 3.28Å; F466-L534 WeakPolarHBondContact CB-O 3.47Å; F466-F536 AromaticContact CD2-CD2 3.61Å; F466-F536 HydrophobicContact CD2-CD2 3.61Å; F466-F536 AromaticContact CD2-CE2 3.65Å; F466-F536 HydrophobicContact CD2-CE2 3.65Å; F466-F536 AromaticContact CE2-CD2 3.79Å; F466-F536 HydrophobicContact CE2-CD2 3.79Å; F466-F536 AromaticContact CE2-CE2 3.67Å; F466-F536 HydrophobicContact CE2-CE2 3.67Å; F466-F536 HydrophobicContact CG-CE2 4.46Å
467	S	98.2	Very high	92.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	177	180	-71.8	0	0	0	0	111.2	I504 Y525 L534 V535 F536	S467-I504 WeakPolarHBondContact CA-O 3.49Å; S467-I504 WeakPolarHBondContact CB-O 3.37Å; S467-I504 PolarHBondContact OG-N 3.23Å; S467-I504 PolarHBondContact OG-O 2.79Å; S467-Y525 VanDerWaalsContact OG-CE2 3.26Å; S467-Y525 WeakPolarHBondContact OG-CE2 3.38Å; S467-Y525 PolarHBondContact OG-OH 3.15Å; S467-L534 PolarHBondContact N-O 3.11Å; S467-L534 VanDerWaalsContact N-O 3.1Å; S467-V535 WeakPolarHBondContact O-CA 3.48Å; S467-F536 PolarHBondContact O-N 3.16Å
468	A	98.1	Very high	92.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.5	172.2	0	0	0	0	0	113.3	V480 I504 L505 L506 F536	A468-V480 HydrophobicContact CB-CG1 3.75Å; A468-I504 PolarHBondContact N-O 3.28Å; A468-L505 HydrophobicContact CB-CD2 3.65Å; A468-L505 WeakPolarHBondContact O-CA 3.45Å; A468-L506 PolarHBondContact O-N 2.83Å; A468-F536 CarbonylContact C-O 3.54Å; A468-F536 WeakPolarHBondContact CA-O 3.3Å; A468-F536 HydrophobicContact CB-CB 3.82Å
469	I	97.5	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.1	172.2	-60.7	172.8	0	0	0	107.9	L506 V508 F514 V517 L518 L521 V535 F536 V537 S538	I469-L506 CarbonylContact C-O 3.57Å; I469-L506 VanDerWaalsContact CA-O 3.26Å; I469-L506 WeakPolarHBondContact CA-O 3.42Å; I469-L506 HydrophobicContact CG1-CB 4.47Å; I469-V508 HydrophobicContact CG2-CB 3.93Å; I469-V508 HydrophobicContact CG2-CG1 3.56Å; I469-F514 HydrophobicContact CB-CE2 4.39Å; I469-F514 HydrophobicContact CD1-CE2 3.9Å; I469-F514 HydrophobicContact CD1-CZ 4.34Å; I469-F514 HydrophobicContact CG2-CD2 4.22Å; I469-F514 HydrophobicContact CG2-CE2 3.99Å; I469-V517 HydrophobicContact CD1-CG1 4.03Å; I469-V517 HydrophobicContact CG1-CG1 4.25Å; I469-V517 HydrophobicContact CG2-CG1 4.19Å; I469-L518 HydrophobicContact CD1-CD1 4Å; I469-L521 HydrophobicContact CD1-CD2 4.28Å; I469-V535 HydrophobicContact CB-CG1 4.39Å; I469-V535 HydrophobicContact CD1-CG1 3.92Å; I469-V535 HydrophobicContact CG1-CG1 3.89Å; I469-F536 PolarHBondContact N-O 3.45Å; I469-V537 CarbonylContact O-C 3.44Å; I469-V537 VanDerWaalsContact O-CA 3.28Å; I469-V537 WeakPolarHBondContact O-CA 3.49Å; I469-S538 PolarHBondContact O-N 3.08Å
470	A	96.8	Very high	92.4	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.9	-179.6	0	0	0	0	0	112.3	L477 V480 L506 V508	A470-L477 HydrophobicContact CB-CD2 3.77Å; A470-V480 HydrophobicContact CB-CG2 4.01Å; A470-L506 PolarHBondContact N-O 2.68Å; A470-V508 PolarHBondContact O-N 3.37Å
471	F	94.9	Very high	92.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.5	165.5	-72.7	-90	0	0	0	110.1	V508 V511 F514 V537 S538 L539 E544 V548	F471-V508 HydrophobicContact CB-CG1 4.3Å; F471-V508 HydrophobicContact CD1-CG1 3.55Å; F471-V508 HydrophobicContact CD2-CG1 3.79Å; F471-V508 HydrophobicContact CE1-CG1 3.67Å; F471-V508 HydrophobicContact CE1-CG2 4.26Å; F471-V508 HydrophobicContact CE2-CG1 3.91Å; F471-V508 HydrophobicContact CG-CG1 3.61Å; F471-V508 HydrophobicContact CZ-CG1 3.85Å; F471-V511 HydrophobicContact CE1-CG1 4.25Å; F471-F514 AromaticContact CE2-CD2 3.96Å; F471-F514 HydrophobicContact CE2-CD2 3.96Å; F471-F514 HydrophobicContact CE2-CE2 4.35Å; F471-F514 HydrophobicContact CZ-CB 4.16Å; F471-F514 AromaticContact CZ-CD2 3.73Å; F471-F514 HydrophobicContact CZ-CD2 3.73Å; F471-F514 HydrophobicContact CZ-CG 4.15Å; F471-V537 HydrophobicContact CD2-CG1 4.08Å; F471-V537 HydrophobicContact CE2-CG1 3.85Å; F471-S538 WeakPolarHBondContact CB-O 3.43Å; F471-S538 WeakPolarHBondContact CD2-O 3.44Å; F471-S538 PolarHBondContact N-O 3.34Å; F471-L539 HydrophobicContact CD2-CD2 3.91Å; F471-L539 HydrophobicContact CE2-CD2 4Å; F471-E544 WeakPolarHBondContact CB-OE1 3.42Å; F471-E544 HydrophobicContact CD1-CG 3.95Å; F471-E544 WeakPolarHBondContact CD1-OE1 3.44Å; F471-E544 HydrophobicContact CD2-CB 4.35Å; F471-E544 HydrophobicContact CD2-CG 4.48Å; F471-E544 HydrophobicContact CE1-CB 4.33Å; F471-E544 HydrophobicContact CE1-CG 4.04Å; F471-E544 HydrophobicContact CE2-CB 4.14Å; F471-E544 VanDerWaalsContact CG-CD 3.4Å; F471-E544 HydrophobicContact CG-CG 4.18Å; F471-E544 WeakPolarHBondContact CG-OE2 3.48Å; F471-E544 HydrophobicContact CZ-CB 4.14Å; F471-E544 HydrophobicContact CZ-CG 4.36Å; F471-V548 HydrophobicContact CE2-CG2 3.62Å; F471-V548 HydrophobicContact CZ-CG2 3.99Å
472	G	83.7	Confident	92.6	Very high	36 Å²	36	46.6 Å²	46.6	37%	0.371	27%	0.269	S	S	.	.	S	Bend	trans	106.4	-150	176	0	0	0	0	0	113.6	V508	G472-V508 PolarHBondContact N-O 3.2Å
473	R	81.2	Confident	92.7	Very high	205 Å²	205	39.1 Å²	39.1	77%	0.774	24%	0.237	S	C	*	.			trans	-73.9	135.9	-171.1	-63.2	-177.9	-174.5	177.3	1.2	111.1	S475 S476	R473-S475 PolarHBondContact O-N 2.8Å; R473-S476 WeakPolarHBondContact O-CB 3.35Å; R473-S476 PolarHBondContact O-N 2.7Å; R473-S476 PolarHBondContact O-OG 3.1Å
474	P	81.9	Confident	92.8	Very high	86 Å²	86	39.1 Å²	39.1	56%	0.558	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-54.3	-27.7	175.9	-28.3	35.2	0	0	0	114.4	S476 L477 P507	P474-S476 PolarHBondContact O-N 3.25Å; P474-S476 VanDerWaalsContact O-N 3.13Å; P474-L477 HydrophobicContact CB-CD1 4.46Å; P474-L477 WeakPolarHBondContact O-CB 3.37Å; P474-L477 VanDerWaalsContact O-CG 3.29Å; P474-L477 WeakPolarHBondContact O-CG 3.44Å; P474-L477 PolarHBondContact O-N 3.4Å; P474-L477 VanDerWaalsContact O-N 3.07Å; P474-P507 HydrophobicContact CG-CB 4.3Å
475	S	82.3	Confident	93.2	Very high	105 Å²	105	37.8 Å²	37.8	73%	0.734	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-60.9	-19.9	176.3	56.4	0	0	0	0	114.3	R473 L477	R473-S475 PolarHBondContact O-N 2.8Å; S475-L477 VanDerWaalsContact C-N 3.31Å
476	S	83.5	Confident	93.3	Very high	16 Å²	16	38.4 Å²	38.4	11%	0.112	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-77.1	-14.1	176.3	66.4	0	0	0	0	114	R473 P474 G478 Q479 V480	R473-S476 WeakPolarHBondContact O-CB 3.35Å; R473-S476 PolarHBondContact O-N 2.7Å; R473-S476 PolarHBondContact O-OG 3.1Å; P474-S476 PolarHBondContact O-N 3.25Å; P474-S476 VanDerWaalsContact O-N 3.13Å; S476-G478 VanDerWaalsContact C-N 3.27Å; S476-G478 PolarHBondContact O-N 2.66Å; S476-Q479 PolarHBondContact O-N 2.86Å; S476-Q479 VanDerWaalsContact O-N 3.13Å; S476-V480 WeakPolarHBondContact O-CG2 3.46Å; S476-V480 PolarHBondContact O-N 3.44Å; S476-V480 VanDerWaalsContact O-N 3.08Å
477	L	92.1	Very high	93.3	Very high	31 Å²	31	38.4 Å²	38.4	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-33.5	-174.4	-72.2	170.2	0	0	0	113.3	A470 P474 S475 V480 G481 L505 P507	A470-L477 HydrophobicContact CB-CD2 3.77Å; P474-L477 HydrophobicContact CB-CD1 4.46Å; P474-L477 WeakPolarHBondContact O-CB 3.37Å; P474-L477 VanDerWaalsContact O-CG 3.29Å; P474-L477 WeakPolarHBondContact O-CG 3.44Å; P474-L477 PolarHBondContact O-N 3.4Å; P474-L477 VanDerWaalsContact O-N 3.07Å; S475-L477 VanDerWaalsContact C-N 3.31Å; L477-V480 PolarHBondContact O-N 3.1Å; L477-G481 PolarHBondContact O-N 2.83Å; L477-L505 HydrophobicContact CD2-CB 4.45Å; L477-P507 HydrophobicContact CD1-CB 4.07Å; L477-P507 HydrophobicContact CD1-CG 4.08Å
478	G	94.2	Very high	93.2	Very high	57 Å²	57	38.4 Å²	38.4	59%	0.588	23%	0.229	S	C	*	.	H	α-helix	trans	-59.8	-47.9	175.5	0	0	0	0	0	112.2	S476 V480 G481 E482	S476-G478 VanDerWaalsContact C-N 3.27Å; S476-G478 PolarHBondContact O-N 2.66Å; G478-V480 VanDerWaalsContact C-N 3.32Å; G478-V480 PolarHBondContact O-N 3.06Å; G478-G481 PolarHBondContact O-N 3.26Å; G478-E482 PolarHBondContact O-N 3.45Å
479	Q	94.8	Very high	93.2	Very high	86 Å²	86	44.9 Å²	44.9	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-67	-33.4	176.9	-65.7	-176.5	-41.9	0	0	112.2	S476 E482 F483 L568	S476-Q479 PolarHBondContact O-N 2.86Å; S476-Q479 VanDerWaalsContact O-N 3.13Å; Q479-E482 PolarHBondContact O-N 3.26Å; Q479-F483 VanDerWaalsContact O-CB 3.25Å; Q479-F483 WeakPolarHBondContact O-CB 3.37Å; Q479-F483 PolarHBondContact O-N 3.09Å; Q479-L568 HydrophobicContact CB-CD1 4.24Å; Q479-L568 HydrophobicContact CB-CD2 4.1Å
480	V	96.4	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-39.5	173.6	172.8	0	0	0	0	111.1	A468 A470 S476 L477 G478 F483 C484 L505 F563 L568	A468-V480 HydrophobicContact CB-CG1 3.75Å; A470-V480 HydrophobicContact CB-CG2 4.01Å; S476-V480 WeakPolarHBondContact O-CG2 3.46Å; S476-V480 PolarHBondContact O-N 3.44Å; S476-V480 VanDerWaalsContact O-N 3.08Å; L477-V480 PolarHBondContact O-N 3.1Å; G478-V480 VanDerWaalsContact C-N 3.32Å; G478-V480 PolarHBondContact O-N 3.06Å; V480-F483 WeakPolarHBondContact O-CB 3.41Å; V480-F483 PolarHBondContact O-N 3.4Å; V480-C484 WeakPolarHBondContact O-CB 3.42Å; V480-C484 PolarHBondContact O-N 3.47Å; V480-C484 PolarHBondContact O-SG 2.85Å; V480-L505 HydrophobicContact CG1-CD2 4.39Å; V480-F563 HydrophobicContact CG1-CZ 4.21Å; V480-F563 HydrophobicContact CG2-CZ 4.42Å; V480-L568 HydrophobicContact CG2-CD1 3.77Å
481	G	97.2	Very high	93.2	Very high	16 Å²	16	45.9 Å²	45.9	17%	0.165	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-46.1	173.2	0	0	0	0	0	112.5	L477 G478 C484 A485	L477-G481 PolarHBondContact O-N 2.83Å; G478-G481 PolarHBondContact O-N 3.26Å; G481-C484 WeakPolarHBondContact O-CB 3.38Å; G481-C484 PolarHBondContact O-N 3.15Å; G481-A485 PolarHBondContact O-N 3.44Å
482	E	97	Very high	93.3	Very high	83 Å²	83	48.6 Å²	48.6	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-43.4	175.4	-171.1	-177.4	170.2	0	0	111.8	G478 Q479 C484 A485 N486 V572	G478-E482 PolarHBondContact O-N 3.45Å; Q479-E482 PolarHBondContact O-N 3.26Å; E482-C484 VanDerWaalsContact C-N 3.31Å; E482-C484 PolarHBondContact O-N 2.96Å; E482-A485 PolarHBondContact O-N 3.33Å; E482-N486 WeakPolarHBondContact O-CB 3.38Å; E482-N486 PolarHBondContact O-N 2.93Å; E482-V572 HydrophobicContact CB-CG2 4.5Å; E482-V572 HydrophobicContact CG-CG1 4.28Å; E482-V572 WeakPolarHBondContact OE2-CG1 3.12Å
483	F	97.5	Very high	93.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-53.8	-49.5	173.2	171.2	-90.8	0	0	0	111.2	Q479 V480 A485 N486 V487 F536 F563 V567 V571 V572 L583	Q479-F483 VanDerWaalsContact O-CB 3.25Å; Q479-F483 WeakPolarHBondContact O-CB 3.37Å; Q479-F483 PolarHBondContact O-N 3.09Å; V480-F483 WeakPolarHBondContact O-CB 3.41Å; V480-F483 PolarHBondContact O-N 3.4Å; F483-A485 PolarHBondContact O-N 3.46Å; F483-N486 PolarHBondContact O-N 3.19Å; F483-V487 HydrophobicContact CD1-CG2 4.4Å; F483-V487 HydrophobicContact CD2-CG2 4.42Å; F483-V487 HydrophobicContact CE1-CG2 4Å; F483-V487 HydrophobicContact CE2-CG2 4.03Å; F483-V487 HydrophobicContact CZ-CG2 3.81Å; F483-V487 WeakPolarHBondContact O-CG2 3.16Å; F483-V487 PolarHBondContact O-N 2.96Å; F483-F536 AromaticContact CE1-CD1 3.9Å; F483-F536 HydrophobicContact CE1-CD1 3.9Å; F483-F536 HydrophobicContact CE1-CE1 4.13Å; F483-F563 HydrophobicContact CD1-CD1 4.27Å; F483-F563 AromaticContact CD1-CE1 3.79Å; F483-F563 HydrophobicContact CD1-CE1 3.79Å; F483-F563 HydrophobicContact CD1-CE2 4.07Å; F483-F563 AromaticContact CD1-CZ 3.65Å; F483-F563 HydrophobicContact CD1-CZ 3.65Å; F483-F563 AromaticContact CE1-CD1 3.46Å; F483-F563 HydrophobicContact CE1-CD1 3.46Å; F483-F563 VanDerWaalsContact CE1-CD1 3.46Å; F483-F563 HydrophobicContact CE1-CD2 4.11Å; F483-F563 AromaticContact CE1-CE1 3.42Å; F483-F563 HydrophobicContact CE1-CE1 3.42Å; F483-F563 VanDerWaalsContact CE1-CE1 3.42Å; F483-F563 HydrophobicContact CE1-CE2 4.07Å; F483-F563 AromaticContact CE1-CG 3.82Å; F483-F563 HydrophobicContact CE1-CG 3.82Å; F483-F563 AromaticContact CE1-CZ 3.71Å; F483-F563 HydrophobicContact CE1-CZ 3.71Å; F483-F563 HydrophobicContact CE2-CD2 4.19Å; F483-F563 HydrophobicContact CE2-CG 4.32Å; F483-F563 HydrophobicContact CG-CE2 4.29Å; F483-F563 HydrophobicContact CG-CZ 4.27Å; F483-F563 HydrophobicContact CZ-CB 4.12Å; F483-F563 AromaticContact CZ-CD1 3.75Å; F483-F563 HydrophobicContact CZ-CD1 3.75Å; F483-F563 AromaticContact CZ-CD2 3.92Å; F483-F563 HydrophobicContact CZ-CD2 3.92Å; F483-F563 HydrophobicContact CZ-CE1 4.12Å; F483-F563 HydrophobicContact CZ-CE2 4.28Å; F483-F563 AromaticContact CZ-CG 3.63Å; F483-F563 HydrophobicContact CZ-CG 3.63Å; F483-F563 HydrophobicContact CZ-CZ 4.35Å; F483-V567 HydrophobicContact CE2-CG1 4.22Å; F483-V571 HydrophobicContact CD2-CB 3.73Å; F483-V571 HydrophobicContact CD2-CG1 3.81Å; F483-V571 HydrophobicContact CD2-CG2 4.21Å; F483-V571 HydrophobicContact CE2-CB 3.86Å; F483-V571 HydrophobicContact CE2-CG1 4.14Å; F483-V571 HydrophobicContact CE2-CG2 3.79Å; F483-V572 HydrophobicContact CB-CG2 3.69Å; F483-V572 HydrophobicContact CD2-CG2 4.47Å; F483-L583 HydrophobicContact CE2-CD1 4.01Å; F483-L583 HydrophobicContact CZ-CD1 3.62Å
484	C	98	Very high	94.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-46.4	178.6	-75.1	0	0	0	0	112	F466 V480 G481 E482 V487 A488 A502	F466-C484 HydrophobicContact CE2-CB 3.89Å; F466-C484 HydrophobicContact CZ-CB 4.43Å; V480-C484 WeakPolarHBondContact O-CB 3.42Å; V480-C484 PolarHBondContact O-N 3.47Å; V480-C484 PolarHBondContact O-SG 2.85Å; G481-C484 WeakPolarHBondContact O-CB 3.38Å; G481-C484 PolarHBondContact O-N 3.15Å; E482-C484 VanDerWaalsContact C-N 3.31Å; E482-C484 PolarHBondContact O-N 2.96Å; C484-V487 PolarHBondContact O-N 3.31Å; C484-A488 WeakPolarHBondContact O-CB 3.33Å; C484-A488 PolarHBondContact O-N 3.47Å; C484-A502 HydrophobicContact CB-CB 4.39Å
485	A	97.8	Very high	95.2	Very high	34 Å²	34	40 Å²	40	28%	0.281	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-42.8	178.4	0	0	0	0	0	112	G481 E482 F483 A488 K489	G481-A485 PolarHBondContact O-N 3.44Å; E482-A485 PolarHBondContact O-N 3.33Å; F483-A485 PolarHBondContact O-N 3.46Å; A485-A488 PolarHBondContact O-N 3.29Å; A485-K489 WeakPolarHBondContact O-CB 3.39Å; A485-K489 PolarHBondContact O-N 3.39Å
486	N	97.6	Very high	95.9	Very high	50 Å²	50	35 Å²	35	27%	0.267	21%	0.206	S	C	.	.	H	α-helix	trans	-65.1	-43.5	178.8	-72.5	-18.5	0	0	0	112.1	E482 F483 K489 V490 V571	E482-N486 WeakPolarHBondContact O-CB 3.38Å; E482-N486 PolarHBondContact O-N 2.93Å; F483-N486 PolarHBondContact O-N 3.19Å; N486-K489 PolarHBondContact O-N 2.93Å; N486-V490 PolarHBondContact O-N 3.37Å; N486-V571 HydrophobicContact CB-CG1 3.91Å
487	V	97.8	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-42.6	176.3	175.9	0	0	0	0	110.9	F483 C484 K489 V490 C491 F536 V571 L583 I587	F483-V487 HydrophobicContact CD1-CG2 4.4Å; F483-V487 HydrophobicContact CD2-CG2 4.42Å; F483-V487 HydrophobicContact CE1-CG2 4Å; F483-V487 HydrophobicContact CE2-CG2 4.03Å; F483-V487 HydrophobicContact CZ-CG2 3.81Å; F483-V487 WeakPolarHBondContact O-CG2 3.16Å; F483-V487 PolarHBondContact O-N 2.96Å; C484-V487 PolarHBondContact O-N 3.31Å; V487-K489 VanDerWaalsContact C-N 3.32Å; V487-K489 PolarHBondContact O-N 2.96Å; V487-V490 PolarHBondContact O-N 3Å; V487-C491 PolarHBondContact O-N 3.04Å; V487-C491 PolarHBondContact O-SG 3.03Å; V487-F536 HydrophobicContact CB-CZ 4.33Å; V487-F536 HydrophobicContact CG1-CE1 4.09Å; V487-F536 HydrophobicContact CG1-CZ 3.87Å; V487-V571 HydrophobicContact CG2-CG1 4.21Å; V487-L583 HydrophobicContact CG1-CB 4.28Å; V487-L583 HydrophobicContact CG2-CD1 3.96Å; V487-I587 HydrophobicContact CG1-CD1 3.6Å
488	A	97.7	Very high	96.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-37.9	178.1	0	0	0	0	0	112.3	F466 C484 A485 C491 N492 M498 G499	F466-A488 HydrophobicContact CE1-CB 4.29Å; F466-A488 HydrophobicContact CZ-CB 4.06Å; C484-A488 WeakPolarHBondContact O-CB 3.33Å; C484-A488 PolarHBondContact O-N 3.47Å; A485-A488 PolarHBondContact O-N 3.29Å; A488-C491 WeakPolarHBondContact O-CB 2.83Å; A488-C491 PolarHBondContact O-N 2.99Å; A488-N492 PolarHBondContact O-N 3.23Å; A488-N492 PolarHBondContact O-ND2 2.95Å; A488-M498 HydrophobicContact CB-CE 4.44Å; A488-M498 HydrophobicContact CB-CG 4.25Å; A488-M498 HydrophobicContact CB-SD 4.01Å; A488-G499 VanDerWaalsContact CB-O 3.32Å; A488-G499 WeakPolarHBondContact CB-O 3.23Å
489	K	97.3	Very high	96.8	Very high	136 Å²	136	35.3 Å²	35.3	59%	0.591	20%	0.2	S	C	*	.	H	α-helix	trans	-57	-52.2	172	-178	-176.4	175.3	-175.4	0	111	A485 N486 V487 C491 N492 D493	A485-K489 WeakPolarHBondContact O-CB 3.39Å; A485-K489 PolarHBondContact O-N 3.39Å; N486-K489 PolarHBondContact O-N 2.93Å; V487-K489 VanDerWaalsContact C-N 3.32Å; V487-K489 PolarHBondContact O-N 2.96Å; K489-C491 VanDerWaalsContact C-N 3.29Å; K489-C491 PolarHBondContact O-N 3.3Å; K489-N492 PolarHBondContact O-N 3.28Å; K489-N492 VanDerWaalsContact O-N 3.12Å; K489-D493 VanDerWaalsContact O-CG 3.25Å; K489-D493 PolarHBondContact O-N 2.7Å
490	V	96.6	Very high	96.9	Very high	22 Å²	22	41.9 Å²	41.9	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-38.5	178.5	174.2	0	0	0	0	111.8	N486 V487 D493 L494 A580 A584	N486-V490 PolarHBondContact O-N 3.37Å; V487-V490 PolarHBondContact O-N 3Å; V490-D493 PolarHBondContact O-N 3.22Å; V490-L494 HydrophobicContact CG1-CD1 3.86Å; V490-L494 HydrophobicContact CG1-CG 4.46Å; V490-L494 WeakPolarHBondContact O-CB 3.37Å; V490-L494 VanDerWaalsContact O-CG 3.27Å; V490-L494 WeakPolarHBondContact O-CG 3.45Å; V490-L494 PolarHBondContact O-N 3.03Å; V490-A580 HydrophobicContact CB-CB 4.31Å; V490-A580 HydrophobicContact CG1-CB 4.43Å; V490-A580 HydrophobicContact CG2-CB 3.86Å; V490-A584 HydrophobicContact CG1-CB 4.15Å
491	C	97.2	Very high	96.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-47	174.5	-66.6	0	0	0	0	111.5	V487 A488 K489 L494 G495 V496 M498 A584	V487-C491 PolarHBondContact O-N 3.04Å; V487-C491 PolarHBondContact O-SG 3.03Å; A488-C491 WeakPolarHBondContact O-CB 2.83Å; A488-C491 PolarHBondContact O-N 2.99Å; K489-C491 VanDerWaalsContact C-N 3.29Å; K489-C491 PolarHBondContact O-N 3.3Å; C491-L494 CarbonylContact O-C 3.59Å; C491-L494 PolarHBondContact O-N 3.46Å; C491-G495 PolarHBondContact O-N 2.83Å; C491-V496 HydrophobicContact CB-CB 3.94Å; C491-V496 HydrophobicContact CB-CG1 4.43Å; C491-V496 HydrophobicContact CB-CG2 4.16Å; C491-V496 VanDerWaalsContact O-CB 3.28Å; C491-V496 WeakPolarHBondContact O-CB 3.47Å; C491-V496 WeakPolarHBondContact O-CG2 3.02Å; C491-V496 PolarHBondContact O-N 3.16Å; C491-M498 HydrophobicContact CB-CB 4.46Å; C491-M498 HydrophobicContact CB-SD 3.95Å; C491-A584 VanDerWaalsContact SG-CB 3.57Å
492	N	97.1	Very high	96.9	Very high	58 Å²	58	49.1 Å²	49.1	31%	0.31	25%	0.25	S	S	.	.	H	α-helix	trans	-64.1	-43	177.4	-77	-70.8	0	0	0	112.4	A488 K489 L494 G495 V496 M498	A488-N492 PolarHBondContact O-N 3.23Å; A488-N492 PolarHBondContact O-ND2 2.95Å; K489-N492 PolarHBondContact O-N 3.28Å; K489-N492 VanDerWaalsContact O-N 3.12Å; N492-L494 PolarHBondContact O-N 3.41Å; N492-G495 PolarHBondContact O-N 3.27Å; N492-V496 VanDerWaalsContact CA-O 3.31Å; N492-V496 WeakPolarHBondContact CA-O 3.42Å; N492-V496 PolarHBondContact OD1-O 3.47Å; N492-M498 PolarHBondContact ND2-O 2.83Å; N492-M498 PolarHBondContact OD1-N 2.84Å; N492-M498 PolarHBondContact OD1-O 3.39Å
493	D	95.1	Very high	96.9	Very high	98 Å²	98	48.5 Å²	48.5	52%	0.524	25%	0.25	S	C	.	.	H	α-helix	trans	-58.6	-35.7	176.5	-66.1	-18	0	0	0	111.1	Q456 K489 V490 G495	Q456-D493 PolarHBondContact NE2-O 3.25Å; K489-D493 VanDerWaalsContact O-CG 3.25Å; K489-D493 PolarHBondContact O-N 2.7Å; V490-D493 PolarHBondContact O-N 3.22Å; D493-G495 VanDerWaalsContact C-N 3.3Å; D493-G495 PolarHBondContact O-N 2.93Å
494	L	96.1	Very high	96.8	Very high	19 Å²	19	50 Å²	50	10%	0.099	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	6.5	176.6	-63.8	173.2	0	0	0	114.3	M452 Q456 F457 V490 C491 N492 T581 A584	M452-L494 HydrophobicContact CE-CD2 3.98Å; Q456-L494 WeakPolarHBondContact CB-O 3.42Å; F457-L494 HydrophobicContact CD2-CB 3.88Å; F457-L494 WeakPolarHBondContact CD2-O 3.31Å; F457-L494 HydrophobicContact CE1-CD1 4.24Å; F457-L494 HydrophobicContact CE2-CB 3.63Å; F457-L494 HydrophobicContact CE2-CD1 4.02Å; F457-L494 HydrophobicContact CE2-CG 4.47Å; F457-L494 HydrophobicContact CG-CB 4.46Å; F457-L494 HydrophobicContact CZ-CB 3.99Å; F457-L494 HydrophobicContact CZ-CD1 3.61Å; F457-L494 HydrophobicContact CZ-CG 4.38Å; F457-L494 PolarHBondContact N-O 2.73Å; V490-L494 HydrophobicContact CG1-CD1 3.86Å; V490-L494 HydrophobicContact CG1-CG 4.46Å; V490-L494 WeakPolarHBondContact O-CB 3.37Å; V490-L494 VanDerWaalsContact O-CG 3.27Å; V490-L494 WeakPolarHBondContact O-CG 3.45Å; V490-L494 PolarHBondContact O-N 3.03Å; C491-L494 CarbonylContact O-C 3.59Å; C491-L494 PolarHBondContact O-N 3.46Å; N492-L494 PolarHBondContact O-N 3.41Å; L494-T581 HydrophobicContact CD1-CG2 4.15Å; L494-A584 HydrophobicContact CD1-CB 3.98Å
495	G	95.4	Very high	96.8	Very high	28 Å²	28	53 Å²	53	29%	0.289	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	5.1	171.8	0	0	0	0	0	115.9	G460 C491 N492 D493	G460-G495 WeakPolarHBondContact CA-O 3.45Å; C491-G495 PolarHBondContact O-N 2.83Å; N492-G495 PolarHBondContact O-N 3.27Å; D493-G495 VanDerWaalsContact C-N 3.3Å; D493-G495 PolarHBondContact O-N 2.93Å
496	V	96.8	Very high	96.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.265	C	S	.	.			trans	-76.2	130.5	172.4	-171.6	0	0	0	0	109	F457 G461 C491 N492 M498 N588	F457-V496 HydrophobicContact CD2-CG2 3.62Å; F457-V496 HydrophobicContact CE2-CG2 3.71Å; G461-V496 VanDerWaalsContact O-CG1 3.3Å; G461-V496 WeakPolarHBondContact O-CG1 3.33Å; C491-V496 HydrophobicContact CB-CB 3.94Å; C491-V496 HydrophobicContact CB-CG1 4.43Å; C491-V496 HydrophobicContact CB-CG2 4.16Å; C491-V496 VanDerWaalsContact O-CB 3.28Å; C491-V496 WeakPolarHBondContact O-CB 3.47Å; C491-V496 WeakPolarHBondContact O-CG2 3.02Å; C491-V496 PolarHBondContact O-N 3.16Å; N492-V496 VanDerWaalsContact CA-O 3.31Å; N492-V496 WeakPolarHBondContact CA-O 3.42Å; N492-V496 PolarHBondContact OD1-O 3.47Å; V496-M498 HydrophobicContact CG1-CB 4.44Å; V496-M498 PolarHBondContact O-N 3.22Å; V496-M498 VanDerWaalsContact O-N 3.13Å; V496-N588 HydrophobicContact CG2-CB 3.95Å; V496-N588 WeakPolarHBondContact CG2-OD1 3.44Å
497	T	96.2	Very high	96.6	Very high	85 Å²	85	52.4 Å²	52.4	52%	0.521	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	94.9	175.5	-54	0	0	0	0	109.3	G461 C463	G461-T497 PolarHBondContact O-N 2.76Å; C463-T497 CarbonylContact C-O 3.56Å; C463-T497 PolarHBondContact N-O 2.8Å
498	M	96.2	Very high	96.5	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.044	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.6	-175.3	-169.4	169.8	-172.6	0	0	111.8	C463 F466 A488 C491 N492 V496 L534 F536	C463-M498 HydrophobicContact CB-CG 4.23Å; C463-M498 WeakPolarHBondContact O-CA 3.44Å; F466-M498 HydrophobicContact CB-CE 4.3Å; F466-M498 HydrophobicContact CD1-CE 3.51Å; F466-M498 HydrophobicContact CD1-CG 4.03Å; F466-M498 HydrophobicContact CD2-CE 3.98Å; F466-M498 HydrophobicContact CE1-CE 3.69Å; F466-M498 HydrophobicContact CE1-CG 4.02Å; F466-M498 HydrophobicContact CE2-CE 4.12Å; F466-M498 HydrophobicContact CG-CE 3.65Å; F466-M498 HydrophobicContact CZ-CE 3.98Å; A488-M498 HydrophobicContact CB-CE 4.44Å; A488-M498 HydrophobicContact CB-CG 4.25Å; A488-M498 HydrophobicContact CB-SD 4.01Å; C491-M498 HydrophobicContact CB-CB 4.46Å; C491-M498 HydrophobicContact CB-SD 3.95Å; N492-M498 PolarHBondContact ND2-O 2.83Å; N492-M498 PolarHBondContact OD1-N 2.84Å; N492-M498 PolarHBondContact OD1-O 3.39Å; V496-M498 HydrophobicContact CG1-CB 4.44Å; V496-M498 PolarHBondContact O-N 3.22Å; V496-M498 VanDerWaalsContact O-N 3.13Å; M498-L534 HydrophobicContact CE-CD2 3.74Å; M498-F536 HydrophobicContact CE-CE2 3.54Å; M498-F536 HydrophobicContact CE-CZ 3.94Å
499	G	96.2	Very high	96.1	Very high	17 Å²	17	60.7 Å²	60.7	18%	0.175	31%	0.307	C	S	.	.			trans	-52.1	154.4	169.9	0	0	0	0	0	111.9	C463 A464 F466 A488	C463-G499 PolarHBondContact O-N 2.76Å; C463-G499 VanDerWaalsContact O-N 3.13Å; A464-G499 WeakPolarHBondContact O-CA 3.46Å; F466-G499 VanDerWaalsContact CE1-O 3.31Å; F466-G499 WeakPolarHBondContact CE1-O 3.28Å; A488-G499 VanDerWaalsContact CB-O 3.32Å; A488-G499 WeakPolarHBondContact CB-O 3.23Å
500	R	97	Very high	95.8	Very high	223 Å²	223	56.9 Å²	56.9	84%	0.842	29%	0.293	S	S	*	.	S	Bend	trans	-81.3	-23.3	-176.8	-66.7	-175.3	-177.2	176.8	1.5	114
501	K	96.3	Very high	95.6	Very high	154 Å²	154	58 Å²	58	67%	0.67	30%	0.3	S	S	*	.	S	Bend	trans	-146.6	161.1	-179.4	63.4	178	-177.2	176.6	0	109.3	F466	F466-K501 WeakPolarHBondContact CE1-O 3.09Å; F466-K501 WeakPolarHBondContact CZ-O 3.08Å
502	A	97.3	Very high	95.4	Very high	14 Å²	14	63.2 Å²	63.2	12%	0.116	33%	0.332	C	S	.	.			trans	-63.6	135.6	172.3	0	0	0	0	0	110	F466 C484 L505	F466-A502 HydrophobicContact CD2-CB 4.28Å; F466-A502 HydrophobicContact CE2-CB 3.86Å; F466-A502 CarbonylContact O-C 3.4Å; F466-A502 WeakPolarHBondContact O-CA 3.36Å; C484-A502 HydrophobicContact CB-CB 4.39Å; A502-L505 HydrophobicContact CB-CD2 3.79Å; A502-L505 HydrophobicContact CB-CG 4.3Å
503	D	97.3	Very high	95.2	Very high	70 Å²	70	61.8 Å²	61.8	37%	0.374	33%	0.328	S	S	.	.	S	Bend	trans	-68.9	-40.9	177.3	-70	-26.7	0	0	0	110.3	N465 F466 Y525	N465-D503 PolarHBondContact ND2-OD2 2.91Å; F466-D503 PolarHBondContact O-N 3.07Å; D503-Y525 WeakPolarHBondContact CB-OH 3.39Å; D503-Y525 PolarHBondContact OD2-OH 3.16Å; D503-Y525 VanDerWaalsContact OD2-OH 3.06Å
504	I	96.8	Very high	95.3	Very high	31 Å²	31	57.1 Å²	57.1	16%	0.159	30%	0.303	C	S	.	.			trans	-137	139.8	-178.4	-54.6	160.1	0	0	0	109.3	S467 A468 L506 L521 E524 Y525	S467-I504 WeakPolarHBondContact CA-O 3.49Å; S467-I504 WeakPolarHBondContact CB-O 3.37Å; S467-I504 PolarHBondContact OG-N 3.23Å; S467-I504 PolarHBondContact OG-O 2.79Å; A468-I504 PolarHBondContact N-O 3.28Å; I504-L506 HydrophobicContact CG2-CD1 4.29Å; I504-L506 HydrophobicContact CG2-CD2 4.02Å; I504-L506 HydrophobicContact CG2-CG 3.86Å; I504-L521 HydrophobicContact CB-CD1 3.81Å; I504-L521 HydrophobicContact CD1-CD1 3.64Å; I504-L521 HydrophobicContact CG1-CD1 4.31Å; I504-L521 HydrophobicContact CG2-CD1 3.98Å; I504-E524 HydrophobicContact CD1-CB 3.99Å; I504-E524 WeakPolarHBondContact CD1-OE2 3.22Å; I504-Y525 HydrophobicContact CD1-CD2 4.15Å; I504-Y525 HydrophobicContact CD1-CE2 3.98Å
505	L	96.5	Very high	95.3	Very high	65 Å²	65	58.8 Å²	58.8	34%	0.34	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.5	175	-67.3	172.9	0	0	0	109.2	A468 L477 V480 A502	A468-L505 HydrophobicContact CB-CD2 3.65Å; A468-L505 WeakPolarHBondContact O-CA 3.45Å; L477-L505 HydrophobicContact CD2-CB 4.45Å; V480-L505 HydrophobicContact CG1-CD2 4.39Å; A502-L505 HydrophobicContact CB-CD2 3.79Å; A502-L505 HydrophobicContact CB-CG 4.3Å
506	L	96.2	Very high	95.4	Very high	18 Å²	18	65 Å²	65	9%	0.094	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.1	-178.5	-63.1	173	0	0	0	111.6	A468 I469 A470 I504 V517 L521	A468-L506 PolarHBondContact O-N 2.83Å; I469-L506 CarbonylContact C-O 3.57Å; I469-L506 VanDerWaalsContact CA-O 3.26Å; I469-L506 WeakPolarHBondContact CA-O 3.42Å; I469-L506 HydrophobicContact CG1-CB 4.47Å; A470-L506 PolarHBondContact N-O 2.68Å; I504-L506 HydrophobicContact CG2-CD1 4.29Å; I504-L506 HydrophobicContact CG2-CD2 4.02Å; I504-L506 HydrophobicContact CG2-CG 3.86Å; L506-V517 HydrophobicContact CB-CG1 3.87Å; L506-V517 HydrophobicContact CD1-CG1 3.84Å; L506-V517 HydrophobicContact CG-CG1 4.49Å; L506-L521 HydrophobicContact CD1-CB 4.04Å; L506-L521 HydrophobicContact CD1-CD1 4.14Å
507	P	95.8	Very high	95.4	Very high	53 Å²	53	66.2 Å²	66.2	34%	0.344	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	153.3	165.7	32.2	-29.6	0	0	0	110.3	P474 L477	P474-P507 HydrophobicContact CG-CB 4.3Å; L477-P507 HydrophobicContact CD1-CB 4.07Å; L477-P507 HydrophobicContact CD1-CG 4.08Å
508	V	95.2	Very high	95.4	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134	167.6	62.8	0	0	0	0	109.2	I469 A470 F471 G472 D510 A513 F514 V517	I469-V508 HydrophobicContact CG2-CB 3.93Å; I469-V508 HydrophobicContact CG2-CG1 3.56Å; A470-V508 PolarHBondContact O-N 3.37Å; F471-V508 HydrophobicContact CB-CG1 4.3Å; F471-V508 HydrophobicContact CD1-CG1 3.55Å; F471-V508 HydrophobicContact CD2-CG1 3.79Å; F471-V508 HydrophobicContact CE1-CG1 3.67Å; F471-V508 HydrophobicContact CE1-CG2 4.26Å; F471-V508 HydrophobicContact CE2-CG1 3.91Å; F471-V508 HydrophobicContact CG-CG1 3.61Å; F471-V508 HydrophobicContact CZ-CG1 3.85Å; G472-V508 PolarHBondContact N-O 3.2Å; V508-D510 VanDerWaalsContact CG2-O 3.3Å; V508-D510 WeakPolarHBondContact CG2-O 3.33Å; V508-A513 HydrophobicContact CG2-CB 3.92Å; V508-F514 HydrophobicContact CG1-CD2 4.44Å; V508-F514 HydrophobicContact CG2-CB 4.23Å; V508-V517 HydrophobicContact CB-CG2 4.29Å; V508-V517 HydrophobicContact CG2-CG2 4.11Å
509	Q	89.8	Confident	95.5	Very high	170 Å²	170	67 Å²	67	79%	0.794	34%	0.335	S	S	*	.			trans	-73	-48.9	-175.5	-177.5	174	-2.4	0	0	111.8
510	D	91.3	Very high	95.5	Very high	56 Å²	56	73.5 Å²	73.5	30%	0.299	35%	0.354	S	S	.	.	S	Bend	trans	-156	179	-176.9	61.7	48.8	0	0	0	111.4	V508 T512 A513 F514	V508-D510 VanDerWaalsContact CG2-O 3.3Å; V508-D510 WeakPolarHBondContact CG2-O 3.33Å; D510-T512 PolarHBondContact O-N 2.94Å; D510-T512 WeakPolarHBondContact OD1-CA 3.17Å; D510-T512 WeakPolarHBondContact OD1-CB 3.37Å; D510-T512 PolarHBondContact OD1-N 3.02Å; D510-T512 PolarHBondContact OD1-OG1 2.7Å; D510-A513 PolarHBondContact O-N 2.83Å; D510-A513 PolarHBondContact OD1-N 3.49Å; D510-A513 VanDerWaalsContact OD1-N 3.11Å; D510-F514 PolarHBondContact O-N 3.42Å
511	V	91.9	Very high	95.5	Very high	46 Å²	46	62.9 Å²	62.9	28%	0.279	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-30.4	-178.1	-66.3	0	0	0	0	113.1	F471 A513 F514 E544 E547	F471-V511 HydrophobicContact CE1-CG1 4.25Å; V511-A513 VanDerWaalsContact C-N 3.34Å; V511-F514 WeakPolarHBondContact O-CB 3.44Å; V511-F514 PolarHBondContact O-N 2.71Å; V511-E544 HydrophobicContact CG1-CB 4.17Å; V511-E544 HydrophobicContact CG1-CG 3.93Å; V511-E547 HydrophobicContact CB-CB 4.11Å; V511-E547 HydrophobicContact CB-CG 4.02Å; V511-E547 HydrophobicContact CG1-CB 4.18Å
512	T	91.7	Very high	95.5	Very high	110 Å²	110	57.9 Å²	57.9	68%	0.675	30%	0.296	S	S	*	.	H	α-helix	trans	-73.8	-28.4	-178.6	73.7	0	0	0	0	112.2	D510	D510-T512 PolarHBondContact O-N 2.94Å; D510-T512 WeakPolarHBondContact OD1-CA 3.17Å; D510-T512 WeakPolarHBondContact OD1-CB 3.37Å; D510-T512 PolarHBondContact OD1-N 3.02Å; D510-T512 PolarHBondContact OD1-OG1 2.7Å
513	A	94.8	Very high	95.4	Very high	27 Å²	27	60.1 Å²	60.1	22%	0.223	31%	0.314	C	S	.	.	H	α-helix	trans	-82.4	-17.7	176.2	0	0	0	0	0	113.5	V508 D510 V511 E515 K516 V517	V508-A513 HydrophobicContact CG2-CB 3.92Å; D510-A513 PolarHBondContact O-N 2.83Å; D510-A513 PolarHBondContact OD1-N 3.49Å; D510-A513 VanDerWaalsContact OD1-N 3.11Å; V511-A513 VanDerWaalsContact C-N 3.34Å; A513-E515 VanDerWaalsContact C-N 3.35Å; A513-E515 PolarHBondContact O-N 3.02Å; A513-K516 PolarHBondContact O-N 2.91Å; A513-V517 WeakPolarHBondContact O-CG2 3.5Å; A513-V517 PolarHBondContact O-N 3.17Å; A513-V517 VanDerWaalsContact O-N 3.09Å
514	F	95.8	Very high	95.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-42.6	-171.7	-176.7	-100.1	0	0	0	113.4	I469 F471 V508 D510 V511 K516 V517 L518 V537 V548 V551	I469-F514 HydrophobicContact CB-CE2 4.39Å; I469-F514 HydrophobicContact CD1-CE2 3.9Å; I469-F514 HydrophobicContact CD1-CZ 4.34Å; I469-F514 HydrophobicContact CG2-CD2 4.22Å; I469-F514 HydrophobicContact CG2-CE2 3.99Å; F471-F514 AromaticContact CE2-CD2 3.96Å; F471-F514 HydrophobicContact CE2-CD2 3.96Å; F471-F514 HydrophobicContact CE2-CE2 4.35Å; F471-F514 HydrophobicContact CZ-CB 4.16Å; F471-F514 AromaticContact CZ-CD2 3.73Å; F471-F514 HydrophobicContact CZ-CD2 3.73Å; F471-F514 HydrophobicContact CZ-CG 4.15Å; V508-F514 HydrophobicContact CG1-CD2 4.44Å; V508-F514 HydrophobicContact CG2-CB 4.23Å; D510-F514 PolarHBondContact O-N 3.42Å; V511-F514 WeakPolarHBondContact O-CB 3.44Å; V511-F514 PolarHBondContact O-N 2.71Å; F514-K516 PolarHBondContact O-N 2.82Å; F514-V517 PolarHBondContact O-N 2.94Å; F514-L518 HydrophobicContact CE1-CD2 4.2Å; F514-L518 WeakPolarHBondContact O-CB 3.4Å; F514-L518 PolarHBondContact O-N 3.03Å; F514-V537 HydrophobicContact CE2-CG1 4.2Å; F514-V537 HydrophobicContact CE2-CG2 4.48Å; F514-V537 HydrophobicContact CZ-CG2 4.49Å; F514-V548 HydrophobicContact CD1-CG2 4.37Å; F514-V548 HydrophobicContact CD2-CG2 4.16Å; F514-V548 HydrophobicContact CE1-CB 4.17Å; F514-V548 HydrophobicContact CE1-CG1 4.19Å; F514-V548 HydrophobicContact CE1-CG2 4.1Å; F514-V548 HydrophobicContact CE2-CG1 4.47Å; F514-V548 HydrophobicContact CE2-CG2 3.87Å; F514-V548 HydrophobicContact CG-CG2 4.41Å; F514-V548 HydrophobicContact CZ-CB 4.12Å; F514-V548 HydrophobicContact CZ-CG1 3.8Å; F514-V548 HydrophobicContact CZ-CG2 3.85Å; F514-V551 HydrophobicContact CD1-CB 3.99Å; F514-V551 HydrophobicContact CD1-CG1 4.09Å; F514-V551 HydrophobicContact CD1-CG2 4.25Å; F514-V551 HydrophobicContact CE1-CB 4.05Å; F514-V551 HydrophobicContact CE1-CG1 4.13Å
515	E	96.4	Very high	95.4	Very high	54 Å²	54	58.3 Å²	58.3	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-59.7	-47.1	179.6	-176.3	164.7	163.9	0	0	112.2	A513 V517 L518 E519 R550 V551 K555 F556	A513-E515 VanDerWaalsContact C-N 3.35Å; A513-E515 PolarHBondContact O-N 3.02Å; E515-V517 PolarHBondContact O-N 3.25Å; E515-L518 PolarHBondContact O-N 3.4Å; E515-E519 WeakPolarHBondContact O-CB 3.5Å; E515-E519 PolarHBondContact O-N 3.24Å; E515-R550 IonicContact OE2-NH2 3.84Å; E515-V551 HydrophobicContact CB-CG1 4.08Å; E515-V551 HydrophobicContact CB-CG2 4.22Å; E515-V551 HydrophobicContact CG-CG1 4.09Å; E515-K555 WeakPolarHBondContact OE1-CD 3.34Å; E515-K555 IonicContact OE1-NZ 3.8Å; E515-K555 PolarHBondContact OE1-NZ 3.31Å; E515-K555 IonicContact OE2-NZ 3.3Å; E515-K555 PolarHBondContact OE2-NZ 3.28Å; E515-F556 HydrophobicContact CG-CE2 4.11Å; E515-F556 HydrophobicContact CG-CZ 4.49Å
516	K	97.1	Very high	95.3	Very high	160 Å²	160	63.2 Å²	63.2	70%	0.696	32%	0.321	S	S	*	.	H	α-helix	trans	-64.9	-38.7	178	-66.4	-178.5	179.4	178.6	0	112.4	A513 F514 E519 R520	A513-K516 PolarHBondContact O-N 2.91Å; F514-K516 PolarHBondContact O-N 2.82Å; K516-E519 PolarHBondContact O-N 2.95Å; K516-R520 WeakPolarHBondContact O-CB 3.47Å; K516-R520 PolarHBondContact O-N 3.39Å
517	V	97.2	Very high	95.3	Very high	25 Å²	25	65.6 Å²	65.6	15%	0.152	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-41.9	176.9	174	0	0	0	0	110.7	I469 L506 V508 A513 F514 E515 L521	I469-V517 HydrophobicContact CD1-CG1 4.03Å; I469-V517 HydrophobicContact CG1-CG1 4.25Å; I469-V517 HydrophobicContact CG2-CG1 4.19Å; L506-V517 HydrophobicContact CB-CG1 3.87Å; L506-V517 HydrophobicContact CD1-CG1 3.84Å; L506-V517 HydrophobicContact CG-CG1 4.49Å; V508-V517 HydrophobicContact CB-CG2 4.29Å; V508-V517 HydrophobicContact CG2-CG2 4.11Å; A513-V517 WeakPolarHBondContact O-CG2 3.5Å; A513-V517 PolarHBondContact O-N 3.17Å; A513-V517 VanDerWaalsContact O-N 3.09Å; F514-V517 PolarHBondContact O-N 2.94Å; E515-V517 PolarHBondContact O-N 3.25Å; V517-L521 PolarHBondContact O-N 3.44Å
518	L	97.2	Very high	95.2	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-67.6	-41.2	177.1	-169.9	65.3	0	0	0	111.5	I469 F514 E515 L521 V522 V535 V551 A552 F556 I558	I469-L518 HydrophobicContact CD1-CD1 4Å; F514-L518 HydrophobicContact CE1-CD2 4.2Å; F514-L518 WeakPolarHBondContact O-CB 3.4Å; F514-L518 PolarHBondContact O-N 3.03Å; E515-L518 PolarHBondContact O-N 3.4Å; L518-L521 HydrophobicContact CD1-CD2 4.27Å; L518-L521 WeakPolarHBondContact O-CB 3.41Å; L518-L521 PolarHBondContact O-N 3.01Å; L518-V522 WeakPolarHBondContact O-CG2 3.1Å; L518-V522 PolarHBondContact O-N 3.45Å; L518-V535 HydrophobicContact CD1-CG2 4.28Å; L518-V551 HydrophobicContact CD2-CG1 3.84Å; L518-A552 HydrophobicContact CD2-CB 4.1Å; L518-F556 HydrophobicContact CD2-CB 4.19Å; L518-F556 HydrophobicContact CD2-CD2 3.72Å; L518-F556 HydrophobicContact CD2-CE2 4.32Å; L518-F556 HydrophobicContact CD2-CG 3.98Å; L518-F556 HydrophobicContact CG-CD2 4.4Å; L518-F556 HydrophobicContact CG-CG 4.44Å; L518-I558 HydrophobicContact CD1-CD1 4.3Å; L518-I558 HydrophobicContact CG-CD1 4.46Å
519	E	97.3	Very high	95.2	Very high	112 Å²	112	76.8 Å²	76.8	52%	0.523	40%	0.402	S	S	.	.	H	α-helix	trans	-58.7	-47.8	175	-174.3	175.5	-160.7	0	0	111.8	E515 K516 L521 V522 A523 F556	E515-E519 WeakPolarHBondContact O-CB 3.5Å; E515-E519 PolarHBondContact O-N 3.24Å; K516-E519 PolarHBondContact O-N 2.95Å; E519-L521 VanDerWaalsContact C-N 3.32Å; E519-L521 PolarHBondContact O-N 3.49Å; E519-V522 PolarHBondContact O-N 3Å; E519-A523 PolarHBondContact O-N 3.21Å; E519-F556 HydrophobicContact CB-CE1 4.08Å; E519-F556 HydrophobicContact CB-CZ 3.88Å; E519-F556 HydrophobicContact CG-CE1 4.35Å; E519-F556 HydrophobicContact CG-CZ 4.41Å
520	R	97	Very high	95.4	Very high	152 Å²	152	73.7 Å²	73.7	57%	0.574	39%	0.386	S	S	*	.	H	α-helix	trans	-57	-45.8	174.5	178.3	-178.2	168.2	176.4	0.4	111.6	K516 V522 A523 E524	K516-R520 WeakPolarHBondContact O-CB 3.47Å; K516-R520 PolarHBondContact O-N 3.39Å; R520-V522 VanDerWaalsContact C-N 3.32Å; R520-V522 PolarHBondContact O-N 3.36Å; R520-A523 PolarHBondContact O-N 3.29Å; R520-E524 IonicContact CZ-OE1 2.72Å; R520-E524 IonicContact NE-OE1 3.38Å; R520-E524 PolarHBondContact NE-OE1 3.25Å; R520-E524 IonicContact NH2-OE1 3.29Å; R520-E524 PolarHBondContact NH2-OE1 3.29Å; R520-E524 VanDerWaalsContact NH2-OE1 3.12Å; R520-E524 WeakPolarHBondContact O-CG 3.45Å; R520-E524 PolarHBondContact O-N 2.85Å
521	L	96.9	Very high	95.4	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.005	40%	0.4	C	S	.	.	H	α-helix	trans	-58.8	-45.8	178.1	-178.7	66.8	0	0	0	111.2	I469 I504 L506 V517 L518 E519 A523 E524 Y525 V535	I469-L521 HydrophobicContact CD1-CD2 4.28Å; I504-L521 HydrophobicContact CB-CD1 3.81Å; I504-L521 HydrophobicContact CD1-CD1 3.64Å; I504-L521 HydrophobicContact CG1-CD1 4.31Å; I504-L521 HydrophobicContact CG2-CD1 3.98Å; L506-L521 HydrophobicContact CD1-CB 4.04Å; L506-L521 HydrophobicContact CD1-CD1 4.14Å; V517-L521 PolarHBondContact O-N 3.44Å; L518-L521 HydrophobicContact CD1-CD2 4.27Å; L518-L521 WeakPolarHBondContact O-CB 3.41Å; L518-L521 PolarHBondContact O-N 3.01Å; E519-L521 VanDerWaalsContact C-N 3.32Å; E519-L521 PolarHBondContact O-N 3.49Å; L521-A523 VanDerWaalsContact C-N 3.34Å; L521-A523 PolarHBondContact O-N 3.05Å; L521-E524 PolarHBondContact O-N 3.26Å; L521-Y525 HydrophobicContact CD1-CD2 4.1Å; L521-Y525 HydrophobicContact CD1-CE2 3.86Å; L521-Y525 HydrophobicContact CG-CD2 4.2Å; L521-Y525 HydrophobicContact CG-CE2 4.21Å; L521-Y525 WeakPolarHBondContact O-CD2 3.31Å; L521-Y525 PolarHBondContact O-N 3.23Å; L521-Y525 VanDerWaalsContact O-N 3.07Å; L521-V535 HydrophobicContact CD2-CG1 4.37Å; L521-V535 HydrophobicContact CD2-CG2 3.72Å
522	V	95.7	Very high	95.5	Very high	49 Å²	49	74.1 Å²	74.1	30%	0.297	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-43	178	174.1	0	0	0	0	111.4	L518 E519 R520 Y525 K526 F556 I558	L518-V522 WeakPolarHBondContact O-CG2 3.1Å; L518-V522 PolarHBondContact O-N 3.45Å; E519-V522 PolarHBondContact O-N 3Å; R520-V522 VanDerWaalsContact C-N 3.32Å; R520-V522 PolarHBondContact O-N 3.36Å; V522-Y525 PolarHBondContact O-N 2.75Å; V522-K526 WeakPolarHBondContact O-CB 3.44Å; V522-K526 PolarHBondContact O-N 3.01Å; V522-F556 HydrophobicContact CG2-CD1 4.08Å; V522-I558 HydrophobicContact CG2-CD1 3.19Å
523	A	96.3	Very high	95.6	Very high	60 Å²	60	75.7 Å²	75.7	50%	0.496	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-42.6	176.4	0	0	0	0	0	112	E519 R520 L521 Y525 K526 G527	E519-A523 PolarHBondContact O-N 3.21Å; R520-A523 PolarHBondContact O-N 3.29Å; L521-A523 VanDerWaalsContact C-N 3.34Å; L521-A523 PolarHBondContact O-N 3.05Å; A523-Y525 VanDerWaalsContact C-N 3.34Å; A523-Y525 PolarHBondContact O-N 3.48Å; A523-K526 PolarHBondContact O-N 3.4Å; A523-G527 PolarHBondContact O-N 3.43Å
524	E	96.3	Very high	95.8	Very high	56 Å²	56	74.4 Å²	74.4	26%	0.262	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-38.7	176.4	-75.5	-177.9	-169.2	0	0	112.2	I504 R520 L521 H528	I504-E524 HydrophobicContact CD1-CB 3.99Å; I504-E524 WeakPolarHBondContact CD1-OE2 3.22Å; R520-E524 IonicContact CZ-OE1 2.72Å; R520-E524 IonicContact NE-OE1 3.38Å; R520-E524 PolarHBondContact NE-OE1 3.25Å; R520-E524 IonicContact NH2-OE1 3.29Å; R520-E524 PolarHBondContact NH2-OE1 3.29Å; R520-E524 VanDerWaalsContact NH2-OE1 3.12Å; R520-E524 WeakPolarHBondContact O-CG 3.45Å; R520-E524 PolarHBondContact O-N 2.85Å; L521-E524 PolarHBondContact O-N 3.26Å; E524-H528 PolarHBondContact O-N 3.15Å; E524-H528 PolarHBondContact O-ND1 3.44Å
525	Y	96.4	Very high	95.9	Very high	7 Å²	7	74.4 Å²	74.4	3%	0.027	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-44.3	173.2	-91.8	-82	0	0	0	112.5	N465 F466 S467 D503 I504 L521 V522 A523 G527 H528 N529 K530 C532	N465-Y525 HydrophobicContact CB-CE1 3.77Å; F466-Y525 VanDerWaalsContact C-OH 3.25Å; F466-Y525 PolarHBondContact N-OH 3.49Å; F466-Y525 PolarHBondContact O-OH 2.97Å; S467-Y525 VanDerWaalsContact OG-CE2 3.26Å; S467-Y525 WeakPolarHBondContact OG-CE2 3.38Å; S467-Y525 PolarHBondContact OG-OH 3.15Å; D503-Y525 WeakPolarHBondContact CB-OH 3.39Å; D503-Y525 PolarHBondContact OD2-OH 3.16Å; D503-Y525 VanDerWaalsContact OD2-OH 3.06Å; I504-Y525 HydrophobicContact CD1-CD2 4.15Å; I504-Y525 HydrophobicContact CD1-CE2 3.98Å; L521-Y525 HydrophobicContact CD1-CD2 4.1Å; L521-Y525 HydrophobicContact CD1-CE2 3.86Å; L521-Y525 HydrophobicContact CG-CD2 4.2Å; L521-Y525 HydrophobicContact CG-CE2 4.21Å; L521-Y525 WeakPolarHBondContact O-CD2 3.31Å; L521-Y525 PolarHBondContact O-N 3.23Å; L521-Y525 VanDerWaalsContact O-N 3.07Å; V522-Y525 PolarHBondContact O-N 2.75Å; A523-Y525 VanDerWaalsContact C-N 3.34Å; A523-Y525 PolarHBondContact O-N 3.48Å; Y525-G527 VanDerWaalsContact C-N 3.32Å; Y525-G527 PolarHBondContact O-N 3.37Å; Y525-H528 CarbonylContact O-C 3.56Å; Y525-H528 PolarHBondContact O-N 3.01Å; Y525-H528 VanDerWaalsContact O-N 3.15Å; Y525-N529 PolarHBondContact O-N 3.38Å; Y525-K530 CarbonylContact C-O 3.56Å; Y525-K530 HydrophobicContact CD1-CB 3.68Å; Y525-K530 HydrophobicContact CE1-CB 4.32Å; Y525-K530 PolarHBondContact O-N 2.91Å; Y525-K530 VanDerWaalsContact O-O 3.05Å; Y525-C532 HydrophobicContact CD1-CB 4.13Å; Y525-C532 HydrophobicContact CD2-CB 3.52Å; Y525-C532 HydrophobicContact CE1-CB 4.17Å; Y525-C532 HydrophobicContact CE2-CB 3.48Å; Y525-C532 VanDerWaalsContact CE2-CB 3.48Å; Y525-C532 HydrophobicContact CG-CB 3.8Å
526	K	94.7	Very high	96	Very high	168 Å²	168	71.8 Å²	71.8	73%	0.73	36%	0.362	S	S	*	.	H	α-helix	trans	-61.5	-41.2	177.7	-170.5	178.9	179.7	-177.3	0	111.4	V522 A523 H528 N529	V522-K526 WeakPolarHBondContact O-CB 3.44Å; V522-K526 PolarHBondContact O-N 3.01Å; A523-K526 PolarHBondContact O-N 3.4Å; K526-H528 PolarHBondContact O-N 3Å; K526-N529 PolarHBondContact O-N 2.81Å
527	G	95.8	Very high	96	Very high	68 Å²	68	64.2 Å²	64.2	70%	0.701	33%	0.329	S	S	*	.	H	α-helix	trans	-61.3	-29.4	175.8	0	0	0	0	0	113.7	A523 Y525	A523-G527 PolarHBondContact O-N 3.43Å; Y525-G527 VanDerWaalsContact C-N 3.32Å; Y525-G527 PolarHBondContact O-N 3.37Å
528	H	94.5	Very high	96	Very high	134 Å²	134	63 Å²	63	62%	0.62	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	11.7	174.7	-63.3	126.7	0	0	0	114	E524 Y525 K526 K530	E524-H528 PolarHBondContact O-N 3.15Å; E524-H528 PolarHBondContact O-ND1 3.44Å; Y525-H528 CarbonylContact O-C 3.56Å; Y525-H528 PolarHBondContact O-N 3.01Å; Y525-H528 VanDerWaalsContact O-N 3.15Å; K526-H528 PolarHBondContact O-N 3Å; H528-K530 HydrophobicContact CB-CD 4.39Å; H528-K530 PolarHBondContact O-N 2.93Å
529	N	94.7	Very high	95.9	Very high	158 Å²	158	63.2 Å²	63.2	85%	0.845	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	37.8	-176.3	-155.1	27.6	0	0	0	113.4	Y525 K526	Y525-N529 PolarHBondContact O-N 3.38Å; K526-N529 PolarHBondContact O-N 2.81Å
530	K	93.9	Very high	95.6	Very high	104 Å²	104	61 Å²	61	45%	0.452	32%	0.32	S	S	.	.			trans	-121.1	164.9	178.3	-72.6	173.9	-179.9	178.3	0	110.1	Y525 H528	Y525-K530 CarbonylContact C-O 3.56Å; Y525-K530 HydrophobicContact CD1-CB 3.68Å; Y525-K530 HydrophobicContact CE1-CB 4.32Å; Y525-K530 PolarHBondContact O-N 2.91Å; Y525-K530 VanDerWaalsContact O-O 3.05Å; H528-K530 HydrophobicContact CB-CD 4.39Å; H528-K530 PolarHBondContact O-N 2.93Å
531	V	92.1	Very high	95.1	Very high	98 Å²	98	56.6 Å²	56.6	59%	0.594	31%	0.307	S	S	*	.			trans	-122.8	121.5	175.6	-179.3	0	0	0	0	109.6	N465 R533	N465-V531 WeakPolarHBondContact CB-O 3.21Å; V531-R533 PolarHBondContact O-N 3.24Å
532	C	94.5	Very high	94.3	Very high	13 Å²	13	61 Å²	61	9%	0.088	34%	0.335	C	S	.	.			trans	-70.2	115.6	171	-169	0	0	0	0	109.5	Y525 L534	Y525-C532 HydrophobicContact CD1-CB 4.13Å; Y525-C532 HydrophobicContact CD2-CB 3.52Å; Y525-C532 HydrophobicContact CE1-CB 4.17Å; Y525-C532 HydrophobicContact CE2-CB 3.48Å; Y525-C532 VanDerWaalsContact CE2-CB 3.48Å; Y525-C532 HydrophobicContact CG-CB 3.8Å; C532-L534 PolarHBondContact SG-O 3.39Å
533	R	93.6	Very high	93.6	Very high	143 Å²	143	62.8 Å²	62.8	54%	0.54	34%	0.338	S	S	.	.			trans	-94.2	-25.8	-179.7	-70	-160.1	126	96	1.6	113.8	N465 V531 M559 M591	N465-R533 PolarHBondContact O-N 2.86Å; N465-R533 VanDerWaalsContact O-N 3.13Å; V531-R533 PolarHBondContact O-N 3.24Å; R533-M559 VanDerWaalsContact O-CB 3.31Å; R533-M559 WeakPolarHBondContact O-CB 3.42Å; R533-M591 HydrophobicContact CB-CE 3.66Å; R533-M591 HydrophobicContact CG-CE 4.35Å
534	L	97.7	Very high	93.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	138.6	-178.3	-179.4	71.1	0	0	0	110.5	C463 F466 S467 M498 C532 F536 M559 Q561 I587 M591	C463-L534 VanDerWaalsContact SG-CB 3.57Å; F466-L534 VanDerWaalsContact CA-O 3.23Å; F466-L534 WeakPolarHBondContact CA-O 3.16Å; F466-L534 HydrophobicContact CB-CB 3.99Å; F466-L534 VanDerWaalsContact CB-O 3.28Å; F466-L534 WeakPolarHBondContact CB-O 3.47Å; S467-L534 PolarHBondContact N-O 3.11Å; S467-L534 VanDerWaalsContact N-O 3.1Å; M498-L534 HydrophobicContact CE-CD2 3.74Å; C532-L534 PolarHBondContact SG-O 3.39Å; L534-F536 HydrophobicContact CD2-CD2 4.39Å; L534-F536 HydrophobicContact CD2-CE2 3.89Å; L534-F536 HydrophobicContact CD2-CZ 4.06Å; L534-M559 CarbonylContact C-O 3.28Å; L534-M559 WeakPolarHBondContact CA-O 3.12Å; L534-M559 HydrophobicContact CD1-CB 4.23Å; L534-M559 HydrophobicContact CD1-CG 3.97Å; L534-Q561 HydrophobicContact CD1-CB 4.15Å; L534-I587 HydrophobicContact CD2-CG1 4.4Å; L534-I587 HydrophobicContact CD2-CG2 3.98Å; L534-M591 HydrophobicContact CB-SD 4.4Å
535	V	98.3	Very high	93.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120	168.3	-177.1	0	0	0	0	109.9	S467 I469 L518 L521 V537 I558 M559 T560 Q561	S467-V535 WeakPolarHBondContact O-CA 3.48Å; I469-V535 HydrophobicContact CB-CG1 4.39Å; I469-V535 HydrophobicContact CD1-CG1 3.92Å; I469-V535 HydrophobicContact CG1-CG1 3.89Å; L518-V535 HydrophobicContact CD1-CG2 4.28Å; L521-V535 HydrophobicContact CD2-CG1 4.37Å; L521-V535 HydrophobicContact CD2-CG2 3.72Å; V535-V537 HydrophobicContact CG1-CG2 3.97Å; V535-I558 HydrophobicContact CG2-CG2 3.74Å; V535-M559 PolarHBondContact N-O 2.89Å; V535-T560 HydrophobicContact CB-CG2 4.22Å; V535-T560 CarbonylContact O-C 3.56Å; V535-T560 VanDerWaalsContact O-CA 3.27Å; V535-T560 WeakPolarHBondContact O-CA 3.37Å; V535-Q561 PolarHBondContact O-N 3.45Å
536	F	98.3	Very high	93.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.2	165.8	-79	-77.2	0	0	0	109.4	F466 S467 A468 I469 F483 V487 M498 L534 Q561 F563 I587	F466-F536 AromaticContact CD2-CD2 3.61Å; F466-F536 HydrophobicContact CD2-CD2 3.61Å; F466-F536 AromaticContact CD2-CE2 3.65Å; F466-F536 HydrophobicContact CD2-CE2 3.65Å; F466-F536 AromaticContact CE2-CD2 3.79Å; F466-F536 HydrophobicContact CE2-CD2 3.79Å; F466-F536 AromaticContact CE2-CE2 3.67Å; F466-F536 HydrophobicContact CE2-CE2 3.67Å; F466-F536 HydrophobicContact CG-CE2 4.46Å; S467-F536 PolarHBondContact O-N 3.16Å; A468-F536 CarbonylContact C-O 3.54Å; A468-F536 WeakPolarHBondContact CA-O 3.3Å; A468-F536 HydrophobicContact CB-CB 3.82Å; I469-F536 PolarHBondContact N-O 3.45Å; F483-F536 AromaticContact CE1-CD1 3.9Å; F483-F536 HydrophobicContact CE1-CD1 3.9Å; F483-F536 HydrophobicContact CE1-CE1 4.13Å; V487-F536 HydrophobicContact CB-CZ 4.33Å; V487-F536 HydrophobicContact CG1-CE1 4.09Å; V487-F536 HydrophobicContact CG1-CZ 3.87Å; M498-F536 HydrophobicContact CE-CE2 3.54Å; M498-F536 HydrophobicContact CE-CZ 3.94Å; L534-F536 HydrophobicContact CD2-CD2 4.39Å; L534-F536 HydrophobicContact CD2-CE2 3.89Å; L534-F536 HydrophobicContact CD2-CZ 4.06Å; F536-Q561 WeakPolarHBondContact CA-O 3.48Å; F536-Q561 HydrophobicContact CD1-CB 4.06Å; F536-Q561 HydrophobicContact CD1-CG 4.18Å; F536-Q561 HydrophobicContact CE1-CB 4.18Å; F536-Q561 HydrophobicContact CE1-CG 4.03Å; F536-F563 HydrophobicContact CB-CE1 4.07Å; F536-F563 HydrophobicContact CD1-CD1 4.41Å; F536-F563 HydrophobicContact CD1-CE1 4.34Å; F536-I587 HydrophobicContact CE1-CD1 3.79Å; F536-I587 HydrophobicContact CZ-CD1 3.65Å
537	V	97.8	Very high	93.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	110.6	-179.7	-169	0	0	0	0	110.5	I469 F471 F514 V535 L539 V548 T560 Q561 C562 F563	I469-V537 CarbonylContact O-C 3.44Å; I469-V537 VanDerWaalsContact O-CA 3.28Å; I469-V537 WeakPolarHBondContact O-CA 3.49Å; F471-V537 HydrophobicContact CD2-CG1 4.08Å; F471-V537 HydrophobicContact CE2-CG1 3.85Å; F514-V537 HydrophobicContact CE2-CG1 4.2Å; F514-V537 HydrophobicContact CE2-CG2 4.48Å; F514-V537 HydrophobicContact CZ-CG2 4.49Å; V535-V537 HydrophobicContact CG1-CG2 3.97Å; V537-L539 HydrophobicContact CG1-CD2 3.86Å; V537-L539 PolarHBondContact O-N 2.98Å; V537-V548 HydrophobicContact CB-CG1 4.28Å; V537-V548 HydrophobicContact CG1-CG1 4.23Å; V537-V548 HydrophobicContact CG1-CG2 3.91Å; V537-V548 HydrophobicContact CG2-CG1 3.91Å; V537-T560 HydrophobicContact CG2-CG2 4.2Å; V537-Q561 PolarHBondContact N-O 2.91Å; V537-C562 CarbonylContact O-C 3.59Å; V537-C562 WeakPolarHBondContact O-CA 3.42Å; V537-F563 PolarHBondContact O-N 3.39Å
538	S	97.2	Very high	93.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.4	174.3	-177.9	0	0	0	0	109.3	I469 F471 F563 Q565	I469-S538 PolarHBondContact O-N 3.08Å; F471-S538 WeakPolarHBondContact CB-O 3.43Å; F471-S538 WeakPolarHBondContact CD2-O 3.44Å; F471-S538 PolarHBondContact N-O 3.34Å; S538-F563 VanDerWaalsContact CB-CZ 3.46Å; S538-Q565 PolarHBondContact OG-NE2 2.72Å
539	L	95.7	Very high	93.4	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.7	179.3	-54.7	-179	0	0	0	111	F471 V537 E544 Y545 V548 C562 F563 M564	F471-L539 HydrophobicContact CD2-CD2 3.91Å; F471-L539 HydrophobicContact CE2-CD2 4Å; V537-L539 HydrophobicContact CG1-CD2 3.86Å; V537-L539 PolarHBondContact O-N 2.98Å; L539-E544 VanDerWaalsContact CA-OE2 3.27Å; L539-E544 WeakPolarHBondContact CA-OE2 3.29Å; L539-E544 HydrophobicContact CD2-CB 3.94Å; L539-Y545 HydrophobicContact CD1-CD2 4.09Å; L539-V548 HydrophobicContact CD2-CG2 4.17Å; L539-C562 HydrophobicContact CD1-CB 3.72Å; L539-C562 HydrophobicContact CD2-CB 4.47Å; L539-C562 HydrophobicContact CG-CB 4.03Å; L539-F563 PolarHBondContact N-O 2.79Å; L539-M564 HydrophobicContact CB-SD 3.77Å; L539-M564 HydrophobicContact CD1-SD 4.3Å
540	S	91.2	Very high	93.4	Very high	66 Å²	66	38.6 Å²	38.6	46%	0.462	19%	0.193	S	C	.	.	S	Bend	trans	-93.8	-33.4	170.2	88.4	0	0	0	0	111.8	E544	S540-E544 PolarHBondContact N-OE2 3.33Å; S540-E544 PolarHBondContact OG-OE1 3.45Å
541	D	86.1	Confident	93.5	Very high	58 Å²	58	33.7 Å²	33.7	31%	0.31	17%	0.171	S	C	.	.	S	Bend	trans	-134.3	147	176.3	-172.6	-8	0	0	0	110.7	K543 E544	D541-K543 PolarHBondContact O-N 2.97Å; D541-K543 PolarHBondContact OD1-N 3.43Å; D541-K543 VanDerWaalsContact OD1-N 3.15Å; D541-K543 WeakPolarHBondContact OD2-CD 3.43Å; D541-E544 PolarHBondContact N-OE2 3.07Å; D541-E544 VanDerWaalsContact N-OE2 3.13Å; D541-E544 WeakPolarHBondContact O-CB 3.36Å; D541-E544 PolarHBondContact O-N 2.97Å
542	T	80.1	Confident	93.7	Very high	95 Å²	95	29 Å²	29	58%	0.583	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.1	167.8	56.5	0	0	0	0	114.5	E544 Y545 M564	T542-E544 VanDerWaalsContact C-N 3.27Å; T542-E544 PolarHBondContact O-N 2.73Å; T542-Y545 VanDerWaalsContact O-CB 3.28Å; T542-Y545 WeakPolarHBondContact O-CB 3.32Å; T542-Y545 PolarHBondContact O-N 3.19Å; T542-M564 HydrophobicContact CG2-CE 4.16Å
543	K	81	Confident	93.8	Very high	85 Å²	85	28.4 Å²	28.4	37%	0.37	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.5	179.4	-63.8	176.6	-173	169.9	0	113.1	D541 Y545 D848	D541-K543 PolarHBondContact O-N 2.97Å; D541-K543 PolarHBondContact OD1-N 3.43Å; D541-K543 VanDerWaalsContact OD1-N 3.15Å; D541-K543 WeakPolarHBondContact OD2-CD 3.43Å; K543-Y545 PolarHBondContact O-N 2.94Å; K543-D848 IonicContact NZ-OD2 2.95Å; K543-D848 PolarHBondContact NZ-OD2 3.24Å
544	E	93.5	Very high	93.9	Very high	17 Å²	17	23 Å²	23	8%	0.079	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-27.1	179.3	-62.6	163.5	168.9	0	0	112	F471 V511 L539 S540 D541 T542 S546 E547 V548	F471-E544 WeakPolarHBondContact CB-OE1 3.42Å; F471-E544 HydrophobicContact CD1-CG 3.95Å; F471-E544 WeakPolarHBondContact CD1-OE1 3.44Å; F471-E544 HydrophobicContact CD2-CB 4.35Å; F471-E544 HydrophobicContact CD2-CG 4.48Å; F471-E544 HydrophobicContact CE1-CB 4.33Å; F471-E544 HydrophobicContact CE1-CG 4.04Å; F471-E544 HydrophobicContact CE2-CB 4.14Å; F471-E544 VanDerWaalsContact CG-CD 3.4Å; F471-E544 HydrophobicContact CG-CG 4.18Å; F471-E544 WeakPolarHBondContact CG-OE2 3.48Å; F471-E544 HydrophobicContact CZ-CB 4.14Å; F471-E544 HydrophobicContact CZ-CG 4.36Å; V511-E544 HydrophobicContact CG1-CB 4.17Å; V511-E544 HydrophobicContact CG1-CG 3.93Å; L539-E544 VanDerWaalsContact CA-OE2 3.27Å; L539-E544 WeakPolarHBondContact CA-OE2 3.29Å; L539-E544 HydrophobicContact CD2-CB 3.94Å; S540-E544 PolarHBondContact N-OE2 3.33Å; S540-E544 PolarHBondContact OG-OE1 3.45Å; D541-E544 PolarHBondContact N-OE2 3.07Å; D541-E544 VanDerWaalsContact N-OE2 3.13Å; D541-E544 WeakPolarHBondContact O-CB 3.36Å; D541-E544 PolarHBondContact O-N 2.97Å; T542-E544 VanDerWaalsContact C-N 3.27Å; T542-E544 PolarHBondContact O-N 2.73Å; E544-S546 VanDerWaalsContact C-N 3.3Å; E544-S546 PolarHBondContact O-N 2.91Å; E544-E547 PolarHBondContact O-N 2.86Å; E544-V548 WeakPolarHBondContact O-CG2 3.45Å; E544-V548 PolarHBondContact O-N 2.92Å; E544-V548 VanDerWaalsContact O-N 3.13Å
545	Y	95.2	Very high	93.7	Very high	58 Å²	58	27.5 Å²	27.5	23%	0.227	14%	0.141	C	C	.	.	H	α-helix	trans	-55.6	-44.5	-176.7	179.5	-93.8	0	0	0	112.5	L539 T542 K543 E547 V548 K549 C562 R834 N837	L539-Y545 HydrophobicContact CD1-CD2 4.09Å; T542-Y545 VanDerWaalsContact O-CB 3.28Å; T542-Y545 WeakPolarHBondContact O-CB 3.32Å; T542-Y545 PolarHBondContact O-N 3.19Å; K543-Y545 PolarHBondContact O-N 2.94Å; Y545-E547 VanDerWaalsContact C-N 3.34Å; Y545-E547 PolarHBondContact O-N 3.31Å; Y545-V548 PolarHBondContact O-N 3.27Å; Y545-K549 HydrophobicContact CD1-CG 4.13Å; Y545-K549 HydrophobicContact CD2-CG 4.5Å; Y545-K549 HydrophobicContact CE1-CG 3.68Å; Y545-K549 HydrophobicContact CE2-CD 4.43Å; Y545-K549 HydrophobicContact CE2-CG 4.09Å; Y545-K549 WeakPolarHBondContact O-CG 3.42Å; Y545-K549 PolarHBondContact O-N 3.26Å; Y545-K549 WeakPolarHBondContact OH-CE 3.44Å; Y545-C562 HydrophobicContact CD2-CB 4.11Å; Y545-C562 HydrophobicContact CE2-CB 4.32Å; Y545-R834 PolarHBondContact OH-NE 2.87Å; Y545-N837 HydrophobicContact CE1-CB 4.45Å
546	S	93.6	Very high	93.6	Very high	15 Å²	15	29.6 Å²	29.6	11%	0.105	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-42.1	-175.7	-56.4	0	0	0	0	111.6	E544 K549 R550 N837 Y840	E544-S546 VanDerWaalsContact C-N 3.3Å; E544-S546 PolarHBondContact O-N 2.91Å; S546-K549 PolarHBondContact O-N 3.39Å; S546-R550 WeakPolarHBondContact O-CB 3.49Å; S546-R550 PolarHBondContact O-N 3.25Å; S546-N837 PolarHBondContact OG-OD1 3.05Å; S546-Y840 VanDerWaalsContact CB-CD1 3.41Å; S546-Y840 VanDerWaalsContact CB-CG 3.46Å
547	E	94	Very high	93.5	Very high	13 Å²	13	30 Å²	30	6%	0.061	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-45	178.4	-177.3	60.8	175.3	0	0	111.8	V511 E544 Y545 K549 R550 V551 Y840	V511-E547 HydrophobicContact CB-CB 4.11Å; V511-E547 HydrophobicContact CB-CG 4.02Å; V511-E547 HydrophobicContact CG1-CB 4.18Å; E544-E547 PolarHBondContact O-N 2.86Å; Y545-E547 VanDerWaalsContact C-N 3.34Å; Y545-E547 PolarHBondContact O-N 3.31Å; E547-K549 VanDerWaalsContact C-N 3.25Å; E547-K549 PolarHBondContact O-N 3.1Å; E547-R550 VanDerWaalsContact CD-NH2 3.32Å; E547-R550 PolarHBondContact O-N 3.35Å; E547-R550 IonicContact OE1-CZ 3.89Å; E547-R550 IonicContact OE1-NE 3.14Å; E547-R550 IonicContact OE1-NH2 3.86Å; E547-R550 PolarHBondContact OE1-NH2 3.42Å; E547-R550 IonicContact OE2-CZ 2.65Å; E547-R550 IonicContact OE2-NE 3.97Å; E547-R550 PolarHBondContact OE2-NE 2.85Å; E547-R550 IonicContact OE2-NH2 2.67Å; E547-R550 PolarHBondContact OE2-NH2 3.49Å; E547-R550 VanDerWaalsContact OE2-NH2 3.15Å; E547-V551 HydrophobicContact CG-CG2 4.19Å; E547-V551 WeakPolarHBondContact O-CB 3.37Å; E547-V551 WeakPolarHBondContact O-CG2 3.24Å; E547-V551 PolarHBondContact O-N 2.92Å; E547-V551 WeakPolarHBondContact OE1-CG2 3.49Å; E547-Y840 HydrophobicContact CB-CE1 4.17Å; E547-Y840 WeakPolarHBondContact CB-OH 3.38Å; E547-Y840 WeakPolarHBondContact OE2-CE1 3.47Å; E547-Y840 PolarHBondContact OE2-OH 3.26Å
548	V	96.9	Very high	93.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-55	-45.6	176.8	171.3	0	0	0	0	110.8	F471 F514 V537 L539 E544 Y545 A552 T560	F471-V548 HydrophobicContact CE2-CG2 3.62Å; F471-V548 HydrophobicContact CZ-CG2 3.99Å; F514-V548 HydrophobicContact CD1-CG2 4.37Å; F514-V548 HydrophobicContact CD2-CG2 4.16Å; F514-V548 HydrophobicContact CE1-CB 4.17Å; F514-V548 HydrophobicContact CE1-CG1 4.19Å; F514-V548 HydrophobicContact CE1-CG2 4.1Å; F514-V548 HydrophobicContact CE2-CG1 4.47Å; F514-V548 HydrophobicContact CE2-CG2 3.87Å; F514-V548 HydrophobicContact CG-CG2 4.41Å; F514-V548 HydrophobicContact CZ-CB 4.12Å; F514-V548 HydrophobicContact CZ-CG1 3.8Å; F514-V548 HydrophobicContact CZ-CG2 3.85Å; V537-V548 HydrophobicContact CB-CG1 4.28Å; V537-V548 HydrophobicContact CG1-CG1 4.23Å; V537-V548 HydrophobicContact CG1-CG2 3.91Å; V537-V548 HydrophobicContact CG2-CG1 3.91Å; L539-V548 HydrophobicContact CD2-CG2 4.17Å; E544-V548 WeakPolarHBondContact O-CG2 3.45Å; E544-V548 PolarHBondContact O-N 2.92Å; E544-V548 VanDerWaalsContact O-N 3.13Å; Y545-V548 PolarHBondContact O-N 3.27Å; V548-A552 WeakPolarHBondContact O-CB 3.33Å; V548-A552 PolarHBondContact O-N 2.9Å; V548-T560 HydrophobicContact CG1-CG2 4.24Å
549	K	96.2	Very high	93.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-70.3	-41.7	179.5	-66.3	-48.5	-173.9	177.6	0	112.9	Y545 S546 E547 D553 T560	Y545-K549 HydrophobicContact CD1-CG 4.13Å; Y545-K549 HydrophobicContact CD2-CG 4.5Å; Y545-K549 HydrophobicContact CE1-CG 3.68Å; Y545-K549 HydrophobicContact CE2-CD 4.43Å; Y545-K549 HydrophobicContact CE2-CG 4.09Å; Y545-K549 WeakPolarHBondContact O-CG 3.42Å; Y545-K549 PolarHBondContact O-N 3.26Å; Y545-K549 WeakPolarHBondContact OH-CE 3.44Å; S546-K549 PolarHBondContact O-N 3.39Å; E547-K549 VanDerWaalsContact C-N 3.25Å; E547-K549 PolarHBondContact O-N 3.1Å; K549-D553 WeakPolarHBondContact O-CB 3.38Å; K549-D553 VanDerWaalsContact O-CG 3.29Å; K549-D553 PolarHBondContact O-N 3.26Å; K549-T560 PolarHBondContact NZ-O 3.32Å; K549-T560 PolarHBondContact NZ-OG1 3.22Å
550	R	94.5	Very high	93.5	Very high	39 Å²	39	30.9 Å²	30.9	15%	0.147	16%	0.16	C	C	.	.	I	π-helix	trans	-59.4	-52.6	176.7	-172.8	-167.1	69.7	80.2	1.7	110.4	E515 S546 E547 V554 Y840	E515-R550 IonicContact OE2-NH2 3.84Å; S546-R550 WeakPolarHBondContact O-CB 3.49Å; S546-R550 PolarHBondContact O-N 3.25Å; E547-R550 VanDerWaalsContact CD-NH2 3.32Å; E547-R550 PolarHBondContact O-N 3.35Å; E547-R550 IonicContact OE1-CZ 3.89Å; E547-R550 IonicContact OE1-NE 3.14Å; E547-R550 IonicContact OE1-NH2 3.86Å; E547-R550 PolarHBondContact OE1-NH2 3.42Å; E547-R550 IonicContact OE2-CZ 2.65Å; E547-R550 IonicContact OE2-NE 3.97Å; E547-R550 PolarHBondContact OE2-NE 2.85Å; E547-R550 IonicContact OE2-NH2 2.67Å; E547-R550 PolarHBondContact OE2-NH2 3.49Å; E547-R550 VanDerWaalsContact OE2-NH2 3.15Å; R550-V554 WeakPolarHBondContact O-CB 3.32Å; R550-V554 WeakPolarHBondContact O-CG2 3.47Å; R550-V554 PolarHBondContact O-N 3.38Å; R550-V554 VanDerWaalsContact O-N 3.15Å; R550-Y840 HydrophobicContact CB-CE1 4.47Å
551	V	95.5	Very high	93.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-65.3	-53	-178.5	175.9	0	0	0	0	110.6	F514 E515 L518 E547 K555 F556	F514-V551 HydrophobicContact CD1-CB 3.99Å; F514-V551 HydrophobicContact CD1-CG1 4.09Å; F514-V551 HydrophobicContact CD1-CG2 4.25Å; F514-V551 HydrophobicContact CE1-CB 4.05Å; F514-V551 HydrophobicContact CE1-CG1 4.13Å; E515-V551 HydrophobicContact CB-CG1 4.08Å; E515-V551 HydrophobicContact CB-CG2 4.22Å; E515-V551 HydrophobicContact CG-CG1 4.09Å; L518-V551 HydrophobicContact CD2-CG1 3.84Å; E547-V551 HydrophobicContact CG-CG2 4.19Å; E547-V551 WeakPolarHBondContact O-CB 3.37Å; E547-V551 WeakPolarHBondContact O-CG2 3.24Å; E547-V551 PolarHBondContact O-N 2.92Å; E547-V551 WeakPolarHBondContact OE1-CG2 3.49Å; V551-K555 WeakPolarHBondContact O-CB 3.47Å; V551-K555 PolarHBondContact O-N 2.98Å; V551-K555 VanDerWaalsContact O-N 3.09Å; V551-F556 HydrophobicContact CG1-CD2 3.75Å; V551-F556 HydrophobicContact CG1-CE2 3.7Å; V551-F556 PolarHBondContact O-N 2.95Å
552	A	97	Very high	94.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-71.1	-43.2	-172.7	0	0	0	0	0	113.4	L518 V548 G557 I558 T560	L518-A552 HydrophobicContact CD2-CB 4.1Å; V548-A552 WeakPolarHBondContact O-CB 3.33Å; V548-A552 PolarHBondContact O-N 2.9Å; A552-G557 WeakPolarHBondContact O-CA 3.45Å; A552-G557 PolarHBondContact O-N 3.47Å; A552-I558 PolarHBondContact O-N 3.22Å; A552-T560 HydrophobicContact CB-CG2 3.48Å; A552-T560 VanDerWaalsContact CB-CG2 3.48Å
553	D	96.9	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-79.7	-39	-175.1	-58.4	-12.8	0	0	0	111.8	K549 R834 H838 V869 H870 I873	K549-D553 WeakPolarHBondContact O-CB 3.38Å; K549-D553 VanDerWaalsContact O-CG 3.29Å; K549-D553 PolarHBondContact O-N 3.26Å; D553-R834 IonicContact OD1-NH1 2.81Å; D553-R834 WeakPolarHBondContact OD2-CD 3.35Å; D553-R834 IonicContact OD2-CZ 2.71Å; D553-R834 IonicContact OD2-NH1 2.66Å; D553-R834 PolarHBondContact OD2-NH1 3.28Å; D553-H838 WeakPolarHBondContact CB-NE2 3.3Å; D553-H838 IonicContact OD2-CE1 3.74Å; D553-H838 IonicContact OD2-NE2 3.85Å; D553-H838 PolarHBondContact OD2-NE2 3.39Å; D553-V869 HydrophobicContact CB-CG1 4.33Å; D553-H870 WeakPolarHBondContact O-CB 3.48Å; D553-H870 PolarHBondContact O-N 3.4Å; D553-I873 HydrophobicContact CB-CD1 3.71Å; D553-I873 WeakPolarHBondContact O-CD1 3.05Å
554	V	95.1	Very high	95.8	Very high	30 Å²	30	21.1 Å²	21.1	18%	0.182	10%	0.101	C	C	.	.	I	π-helix	trans	-92.2	-44.8	-172.6	-177.3	0	0	0	0	111.9	R550 H838 A866	R550-V554 WeakPolarHBondContact O-CB 3.32Å; R550-V554 WeakPolarHBondContact O-CG2 3.47Å; R550-V554 PolarHBondContact O-N 3.38Å; R550-V554 VanDerWaalsContact O-N 3.15Å; V554-H838 HydrophobicContact CG2-CB 4.19Å; V554-A866 WeakPolarHBondContact CG2-O 3.4Å
555	K	94.5	Very high	95.7	Very high	94 Å²	94	23.8 Å²	23.8	41%	0.409	11%	0.114	S	C	.	.	I	π-helix	trans	-88.1	-46.3	-174.3	-66.7	-173.3	163.7	-173.1	0	113.6	E515 V551 H870	E515-K555 WeakPolarHBondContact OE1-CD 3.34Å; E515-K555 IonicContact OE1-NZ 3.8Å; E515-K555 PolarHBondContact OE1-NZ 3.31Å; E515-K555 IonicContact OE2-NZ 3.3Å; E515-K555 PolarHBondContact OE2-NZ 3.28Å; V551-K555 WeakPolarHBondContact O-CB 3.47Å; V551-K555 PolarHBondContact O-N 2.98Å; V551-K555 VanDerWaalsContact O-N 3.09Å; K555-H870 PolarHBondContact O-CD2 2.92Å
556	F	95.6	Very high	95.6	Very high	44 Å²	44	30.1 Å²	30.1	19%	0.193	14%	0.137	C	C	.	.	I	π-helix	trans	-104.2	-20.3	-171.1	-69.5	-90.6	0	0	0	114.3	E515 L518 E519 V522 V551 I558	E515-F556 HydrophobicContact CG-CE2 4.11Å; E515-F556 HydrophobicContact CG-CZ 4.49Å; L518-F556 HydrophobicContact CD2-CB 4.19Å; L518-F556 HydrophobicContact CD2-CD2 3.72Å; L518-F556 HydrophobicContact CD2-CE2 4.32Å; L518-F556 HydrophobicContact CD2-CG 3.98Å; L518-F556 HydrophobicContact CG-CD2 4.4Å; L518-F556 HydrophobicContact CG-CG 4.44Å; E519-F556 HydrophobicContact CB-CE1 4.08Å; E519-F556 HydrophobicContact CB-CZ 3.88Å; E519-F556 HydrophobicContact CG-CE1 4.35Å; E519-F556 HydrophobicContact CG-CZ 4.41Å; V522-F556 HydrophobicContact CG2-CD1 4.08Å; V551-F556 HydrophobicContact CG1-CD2 3.75Å; V551-F556 HydrophobicContact CG1-CE2 3.7Å; V551-F556 PolarHBondContact O-N 2.95Å; F556-I558 VanDerWaalsContact C-N 3.35Å; F556-I558 HydrophobicContact CB-CD1 3.85Å; F556-I558 HydrophobicContact CB-CG1 3.99Å
557	G	95.8	Very high	95.7	Very high	9 Å²	9	31.2 Å²	31.2	9%	0.093	14%	0.143	C	C	.	.			trans	61.8	41.5	-174.4	0	0	0	0	0	113.2	A552 H870 I873	A552-G557 WeakPolarHBondContact O-CA 3.45Å; A552-G557 PolarHBondContact O-N 3.47Å; G557-H870 VanDerWaalsContact CA-CB 3.41Å; G557-I873 WeakPolarHBondContact O-CG2 3.29Å
558	I	95.7	Very high	95.8	Very high	14 Å²	14	30.8 Å²	30.8	7%	0.072	14%	0.141	C	C	.	.			trans	-110.2	127.3	-179.5	-64.6	172.5	0	0	0	109.5	L518 V522 V535 A552 F556 T560	L518-I558 HydrophobicContact CD1-CD1 4.3Å; L518-I558 HydrophobicContact CG-CD1 4.46Å; V522-I558 HydrophobicContact CG2-CD1 3.19Å; V535-I558 HydrophobicContact CG2-CG2 3.74Å; A552-I558 PolarHBondContact O-N 3.22Å; F556-I558 VanDerWaalsContact C-N 3.35Å; F556-I558 HydrophobicContact CB-CD1 3.85Å; F556-I558 HydrophobicContact CB-CG1 3.99Å; I558-T560 PolarHBondContact O-N 3.37Å
559	M	97.1	Very high	95.7	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.5	178.2	-164.8	63.6	67.9	0	0	110.7	R533 L534 V535 K590 I873 S876	R533-M559 VanDerWaalsContact O-CB 3.31Å; R533-M559 WeakPolarHBondContact O-CB 3.42Å; L534-M559 CarbonylContact C-O 3.28Å; L534-M559 WeakPolarHBondContact CA-O 3.12Å; L534-M559 HydrophobicContact CD1-CB 4.23Å; L534-M559 HydrophobicContact CD1-CG 3.97Å; V535-M559 PolarHBondContact N-O 2.89Å; M559-K590 HydrophobicContact CE-CB 4.03Å; M559-K590 HydrophobicContact CE-CG 4.29Å; M559-K590 WeakPolarHBondContact CE-O 3.28Å; M559-K590 HydrophobicContact CG-CB 3.69Å; M559-K590 HydrophobicContact CG-CD 3.82Å; M559-K590 HydrophobicContact CG-CG 4.03Å; M559-K590 HydrophobicContact SD-CB 3.67Å; M559-K590 HydrophobicContact SD-CD 3.64Å; M559-K590 HydrophobicContact SD-CG 3.51Å; M559-K590 VanDerWaalsContact SD-CG 3.51Å; M559-I873 HydrophobicContact CE-CG2 4.33Å; M559-S876 WeakPolarHBondContact CE-OG 3.46Å
560	T	97.9	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.6	179.5	48.9	0	0	0	0	112.7	V535 V537 V548 K549 A552 I558 K590	V535-T560 HydrophobicContact CB-CG2 4.22Å; V535-T560 CarbonylContact O-C 3.56Å; V535-T560 VanDerWaalsContact O-CA 3.27Å; V535-T560 WeakPolarHBondContact O-CA 3.37Å; V537-T560 HydrophobicContact CG2-CG2 4.2Å; V548-T560 HydrophobicContact CG1-CG2 4.24Å; K549-T560 PolarHBondContact NZ-O 3.32Å; K549-T560 PolarHBondContact NZ-OG1 3.22Å; A552-T560 HydrophobicContact CB-CG2 3.48Å; A552-T560 VanDerWaalsContact CB-CG2 3.48Å; I558-T560 PolarHBondContact O-N 3.37Å; T560-K590 PolarHBondContact O-NZ 3.33Å
561	Q	97.7	Very high	95.8	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	96.6	171	-177.1	49.8	56	0	0	110.4	L534 V535 F536 V537 L583 I587	L534-Q561 HydrophobicContact CD1-CB 4.15Å; V535-Q561 PolarHBondContact O-N 3.45Å; F536-Q561 WeakPolarHBondContact CA-O 3.48Å; F536-Q561 HydrophobicContact CD1-CB 4.06Å; F536-Q561 HydrophobicContact CD1-CG 4.18Å; F536-Q561 HydrophobicContact CE1-CB 4.18Å; F536-Q561 HydrophobicContact CE1-CG 4.03Å; V537-Q561 PolarHBondContact N-O 2.91Å; Q561-L583 HydrophobicContact CG-CD2 4.34Å; Q561-I587 HydrophobicContact CB-CG1 4.43Å; Q561-I587 HydrophobicContact CG-CD1 4.35Å; Q561-I587 HydrophobicContact CG-CG1 4.1Å
562	C	97.6	Very high	95.9	Very high	15 Å²	15	34.3 Å²	34.3	10%	0.101	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	148.9	179	-43.2	0	0	0	0	111.6	V537 L539 Y545	V537-C562 CarbonylContact O-C 3.59Å; V537-C562 WeakPolarHBondContact O-CA 3.42Å; L539-C562 HydrophobicContact CD1-CB 3.72Å; L539-C562 HydrophobicContact CD2-CB 4.47Å; L539-C562 HydrophobicContact CG-CB 4.03Å; Y545-C562 HydrophobicContact CD2-CB 4.11Å; Y545-C562 HydrophobicContact CE2-CB 4.32Å
563	F	96.8	Very high	95.8	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	150.4	173.6	60.7	-85.3	0	0	0	110.6	V480 F483 F536 V537 S538 L539 V567 L568	V480-F563 HydrophobicContact CG1-CZ 4.21Å; V480-F563 HydrophobicContact CG2-CZ 4.42Å; F483-F563 HydrophobicContact CD1-CD1 4.27Å; F483-F563 AromaticContact CD1-CE1 3.79Å; F483-F563 HydrophobicContact CD1-CE1 3.79Å; F483-F563 HydrophobicContact CD1-CE2 4.07Å; F483-F563 AromaticContact CD1-CZ 3.65Å; F483-F563 HydrophobicContact CD1-CZ 3.65Å; F483-F563 AromaticContact CE1-CD1 3.46Å; F483-F563 HydrophobicContact CE1-CD1 3.46Å; F483-F563 VanDerWaalsContact CE1-CD1 3.46Å; F483-F563 HydrophobicContact CE1-CD2 4.11Å; F483-F563 AromaticContact CE1-CE1 3.42Å; F483-F563 HydrophobicContact CE1-CE1 3.42Å; F483-F563 VanDerWaalsContact CE1-CE1 3.42Å; F483-F563 HydrophobicContact CE1-CE2 4.07Å; F483-F563 AromaticContact CE1-CG 3.82Å; F483-F563 HydrophobicContact CE1-CG 3.82Å; F483-F563 AromaticContact CE1-CZ 3.71Å; F483-F563 HydrophobicContact CE1-CZ 3.71Å; F483-F563 HydrophobicContact CE2-CD2 4.19Å; F483-F563 HydrophobicContact CE2-CG 4.32Å; F483-F563 HydrophobicContact CG-CE2 4.29Å; F483-F563 HydrophobicContact CG-CZ 4.27Å; F483-F563 HydrophobicContact CZ-CB 4.12Å; F483-F563 AromaticContact CZ-CD1 3.75Å; F483-F563 HydrophobicContact CZ-CD1 3.75Å; F483-F563 AromaticContact CZ-CD2 3.92Å; F483-F563 HydrophobicContact CZ-CD2 3.92Å; F483-F563 HydrophobicContact CZ-CE1 4.12Å; F483-F563 HydrophobicContact CZ-CE2 4.28Å; F483-F563 AromaticContact CZ-CG 3.63Å; F483-F563 HydrophobicContact CZ-CG 3.63Å; F483-F563 HydrophobicContact CZ-CZ 4.35Å; F536-F563 HydrophobicContact CB-CE1 4.07Å; F536-F563 HydrophobicContact CD1-CD1 4.41Å; F536-F563 HydrophobicContact CD1-CE1 4.34Å; V537-F563 PolarHBondContact O-N 3.39Å; S538-F563 VanDerWaalsContact CB-CZ 3.46Å; L539-F563 PolarHBondContact N-O 2.79Å; F563-V567 HydrophobicContact CB-CB 4.17Å; F563-V567 HydrophobicContact CB-CG1 4.08Å; F563-L568 HydrophobicContact CD2-CB 4.11Å; F563-L568 HydrophobicContact CE2-CB 3.95Å; F563-L568 HydrophobicContact CE2-CD1 3.95Å; F563-L568 HydrophobicContact CE2-CG 4.46Å
564	M	94.2	Very high	95.7	Very high	67 Å²	67	44.4 Å²	44.4	33%	0.33	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	162.2	177.9	-62.6	-65.9	-71.2	0	0	110.7	L539 T542 R566 V567 L568	L539-M564 HydrophobicContact CB-SD 3.77Å; L539-M564 HydrophobicContact CD1-SD 4.3Å; T542-M564 HydrophobicContact CG2-CE 4.16Å; M564-R566 PolarHBondContact O-N 2.95Å; M564-R566 VanDerWaalsContact O-N 3.12Å; M564-V567 WeakPolarHBondContact O-CA 3.5Å; M564-V567 WeakPolarHBondContact O-CB 3.35Å; M564-V567 PolarHBondContact O-N 2.99Å; M564-L568 PolarHBondContact O-N 3.17Å; M564-L568 VanDerWaalsContact O-N 3.12Å
565	Q	91.7	Very high	95.7	Very high	73 Å²	73	52.1 Å²	52.1	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-51.5	-36.8	175.5	-66.7	-60.2	-20.4	0	0	114.1	S538 V567 L568 H569	S538-Q565 PolarHBondContact OG-NE2 2.72Å; Q565-V567 VanDerWaalsContact C-N 3.31Å; Q565-V567 PolarHBondContact O-N 3.31Å; Q565-L568 WeakPolarHBondContact O-CB 3.45Å; Q565-L568 PolarHBondContact O-N 2.99Å; Q565-H569 PolarHBondContact O-N 3.42Å
566	R	93	Very high	95.8	Very high	191 Å²	191	49.4 Å²	49.4	72%	0.721	23%	0.231	S	C	*	.	H	α-helix	trans	-59.8	-40.3	173.9	177.8	178.1	171	161.1	0.4	112.8	M564 H569 D570	M564-R566 PolarHBondContact O-N 2.95Å; M564-R566 VanDerWaalsContact O-N 3.12Å; R566-H569 PolarHBondContact O-N 3.05Å; R566-D570 WeakPolarHBondContact O-CB 3.42Å; R566-D570 VanDerWaalsContact O-CG 3.27Å; R566-D570 PolarHBondContact O-N 2.85Å
567	V	96	Very high	95.6	Very high	38 Å²	38	52 Å²	52	23%	0.23	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-38.5	-179.8	179.3	0	0	0	0	110.2	F483 F563 M564 Q565 H569 D570 V571 T579 L583	F483-V567 HydrophobicContact CE2-CG1 4.22Å; F563-V567 HydrophobicContact CB-CB 4.17Å; F563-V567 HydrophobicContact CB-CG1 4.08Å; M564-V567 WeakPolarHBondContact O-CA 3.5Å; M564-V567 WeakPolarHBondContact O-CB 3.35Å; M564-V567 PolarHBondContact O-N 2.99Å; Q565-V567 VanDerWaalsContact C-N 3.31Å; Q565-V567 PolarHBondContact O-N 3.31Å; V567-H569 VanDerWaalsContact C-N 3.35Å; V567-D570 PolarHBondContact O-N 2.85Å; V567-V571 WeakPolarHBondContact O-CG2 3.39Å; V567-V571 PolarHBondContact O-N 2.87Å; V567-T579 HydrophobicContact CG1-CG2 3.81Å; V567-L583 HydrophobicContact CG1-CD1 4.02Å
568	L	95.4	Very high	95.5	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-50.6	170.8	178.2	152.4	0	0	0	110.4	Q479 V480 F563 M564 Q565 D570 V571 V572	Q479-L568 HydrophobicContact CB-CD1 4.24Å; Q479-L568 HydrophobicContact CB-CD2 4.1Å; V480-L568 HydrophobicContact CG2-CD1 3.77Å; F563-L568 HydrophobicContact CD2-CB 4.11Å; F563-L568 HydrophobicContact CE2-CB 3.95Å; F563-L568 HydrophobicContact CE2-CD1 3.95Å; F563-L568 HydrophobicContact CE2-CG 4.46Å; M564-L568 PolarHBondContact O-N 3.17Å; M564-L568 VanDerWaalsContact O-N 3.12Å; Q565-L568 WeakPolarHBondContact O-CB 3.45Å; Q565-L568 PolarHBondContact O-N 2.99Å; L568-D570 VanDerWaalsContact C-N 3.35Å; L568-D570 PolarHBondContact O-N 3.38Å; L568-V571 PolarHBondContact O-N 3.21Å; L568-V572 HydrophobicContact CG-CG2 4.48Å; L568-V572 WeakPolarHBondContact O-CB 3.2Å; L568-V572 PolarHBondContact O-N 3.37Å
569	H	95	Very high	95.5	Very high	80 Å²	80	57.2 Å²	57.2	37%	0.37	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-43.5	176.7	-178.9	-71	0	0	0	112.2	Q565 R566 V567 V571 V573 K574	Q565-H569 PolarHBondContact O-N 3.42Å; R566-H569 PolarHBondContact O-N 3.05Å; V567-H569 VanDerWaalsContact C-N 3.35Å; H569-V571 VanDerWaalsContact C-N 3.32Å; H569-V571 PolarHBondContact O-N 3.44Å; H569-V573 WeakPolarHBondContact O-CA 3.33Å; H569-V573 VanDerWaalsContact O-CB 3.31Å; H569-V573 WeakPolarHBondContact O-CB 3.35Å; H569-V573 PolarHBondContact O-N 3.27Å; H569-K574 PolarHBondContact O-N 3.08Å
570	D	96.8	Very high	95.4	Very high	22 Å²	22	57 Å²	57	12%	0.118	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-35.1	-180	-73.9	-19.5	0	0	0	112.4	R566 V567 L568 K574 R575 S576 T579	R566-D570 WeakPolarHBondContact O-CB 3.42Å; R566-D570 VanDerWaalsContact O-CG 3.27Å; R566-D570 PolarHBondContact O-N 2.85Å; V567-D570 PolarHBondContact O-N 2.85Å; L568-D570 VanDerWaalsContact C-N 3.35Å; L568-D570 PolarHBondContact O-N 3.38Å; D570-K574 CarbonylContact O-C 3.47Å; D570-K574 WeakPolarHBondContact O-CB 3.39Å; D570-K574 WeakPolarHBondContact OD1-CD 3.17Å; D570-K574 WeakPolarHBondContact OD1-CE 3.3Å; D570-K574 IonicContact OD1-NZ 2.63Å; D570-K574 PolarHBondContact OD1-NZ 3.15Å; D570-R575 PolarHBondContact O-N 3.12Å; D570-S576 WeakPolarHBondContact O-CB 3.5Å; D570-S576 PolarHBondContact O-N 3.3Å; D570-T579 HydrophobicContact CB-CG2 4.36Å
571	V	96.9	Very high	95.3	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-85	-43	-179.3	172.1	0	0	0	0	112.7	F483 N486 V487 V567 L568 H569 R575 T579 A580 L583	F483-V571 HydrophobicContact CD2-CB 3.73Å; F483-V571 HydrophobicContact CD2-CG1 3.81Å; F483-V571 HydrophobicContact CD2-CG2 4.21Å; F483-V571 HydrophobicContact CE2-CB 3.86Å; F483-V571 HydrophobicContact CE2-CG1 4.14Å; F483-V571 HydrophobicContact CE2-CG2 3.79Å; N486-V571 HydrophobicContact CB-CG1 3.91Å; V487-V571 HydrophobicContact CG2-CG1 4.21Å; V567-V571 WeakPolarHBondContact O-CG2 3.39Å; V567-V571 PolarHBondContact O-N 2.87Å; L568-V571 PolarHBondContact O-N 3.21Å; H569-V571 VanDerWaalsContact C-N 3.32Å; H569-V571 PolarHBondContact O-N 3.44Å; V571-R575 VanDerWaalsContact O-CA 3.3Å; V571-R575 WeakPolarHBondContact O-CA 3.46Å; V571-T579 HydrophobicContact CG2-CG2 3.78Å; V571-A580 HydrophobicContact CG2-CB 4.4Å; V571-L583 HydrophobicContact CG2-CD1 4.43Å
572	V	96.4	Very high	95.2	Very high	9 Å²	9	60.1 Å²	60.1	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-84.3	-52.4	-174.8	174.6	0	0	0	0	111	E482 F483 L568	E482-V572 HydrophobicContact CB-CG2 4.5Å; E482-V572 HydrophobicContact CG-CG1 4.28Å; E482-V572 WeakPolarHBondContact OE2-CG1 3.12Å; F483-V572 HydrophobicContact CB-CG2 3.69Å; F483-V572 HydrophobicContact CD2-CG2 4.47Å; L568-V572 HydrophobicContact CG-CG2 4.48Å; L568-V572 WeakPolarHBondContact O-CB 3.2Å; L568-V572 PolarHBondContact O-N 3.37Å
573	V	95	Very high	95.2	Very high	82 Å²	82	60.2 Å²	60.2	50%	0.497	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-52.5	-173.4	-175.4	0	0	0	0	110.9	H569 R575	H569-V573 WeakPolarHBondContact O-CA 3.33Å; H569-V573 VanDerWaalsContact O-CB 3.31Å; H569-V573 WeakPolarHBondContact O-CB 3.35Å; H569-V573 PolarHBondContact O-N 3.27Å; V573-R575 VanDerWaalsContact C-N 3.3Å; V573-R575 PolarHBondContact O-N 3.45Å
574	K	96.3	Very high	95.2	Very high	130 Å²	130	59.9 Å²	59.9	57%	0.565	29%	0.29	S	S	*	.	S	Bend	trans	-82.1	-7	-179.8	-58.9	-175.1	-171.7	152	0	113.9	H569 D570 S576	H569-K574 PolarHBondContact O-N 3.08Å; D570-K574 CarbonylContact O-C 3.47Å; D570-K574 WeakPolarHBondContact O-CB 3.39Å; D570-K574 WeakPolarHBondContact OD1-CD 3.17Å; D570-K574 WeakPolarHBondContact OD1-CE 3.3Å; D570-K574 IonicContact OD1-NZ 2.63Å; D570-K574 PolarHBondContact OD1-NZ 3.15Å; K574-S576 PolarHBondContact O-N 2.81Å; K574-S576 VanDerWaalsContact O-N 3.16Å
575	R	95.3	Very high	95.3	Very high	192 Å²	192	56.8 Å²	56.8	73%	0.725	28%	0.275	S	S	*	.			trans	50	40.1	-178.4	-60.5	-176	174.3	-164.7	-1.9	113.2	D570 V571 V573 V577	D570-R575 PolarHBondContact O-N 3.12Å; V571-R575 VanDerWaalsContact O-CA 3.3Å; V571-R575 WeakPolarHBondContact O-CA 3.46Å; V573-R575 VanDerWaalsContact C-N 3.3Å; V573-R575 PolarHBondContact O-N 3.45Å; R575-V577 PolarHBondContact O-N 2.9Å
576	S	95.6	Very high	95.6	Very high	37 Å²	37	55.1 Å²	55.1	26%	0.259	27%	0.266	S	S	.	.			trans	-71.4	99.5	-176.6	-173.9	0	0	0	0	111.7	D570 K574 M578 T579 A580	D570-S576 WeakPolarHBondContact O-CB 3.5Å; D570-S576 PolarHBondContact O-N 3.3Å; K574-S576 PolarHBondContact O-N 2.81Å; K574-S576 VanDerWaalsContact O-N 3.16Å; S576-M578 PolarHBondContact O-N 3.42Å; S576-T579 PolarHBondContact O-N 3.28Å; S576-T579 PolarHBondContact OG-N 2.92Å; S576-T579 PolarHBondContact OG-OG1 2.87Å; S576-A580 PolarHBondContact O-N 2.84Å
577	V	92.2	Very high	95.8	Very high	99 Å²	99	46 Å²	46	60%	0.6	23%	0.232	S	C	*	.	H	α-helix	trans	-58.6	-37.5	176.3	-178.6	0	0	0	0	111.6	R575 A580 T581	R575-V577 PolarHBondContact O-N 2.9Å; V577-A580 PolarHBondContact O-N 3.45Å; V577-T581 WeakPolarHBondContact O-CB 3.46Å; V577-T581 PolarHBondContact O-N 3.01Å; V577-T581 PolarHBondContact O-OG1 2.98Å
578	M	92.4	Very high	95.9	Very high	99 Å²	99	44.2 Å²	44.2	49%	0.488	22%	0.221	S	C	.	.	H	α-helix	trans	-64.8	-41.7	179.4	-176.4	59.1	64.8	0	0	112.1	S576 T581 N582 M816	S576-M578 PolarHBondContact O-N 3.42Å; M578-T581 PolarHBondContact O-N 3.41Å; M578-N582 PolarHBondContact O-N 2.73Å; M578-N582 PolarHBondContact O-ND2 2.85Å; M578-M816 HydrophobicContact CE-CE 4.29Å; M578-M816 HydrophobicContact SD-CE 3.89Å
579	T	95.5	Very high	96	Very high	33 Å²	33	44.5 Å²	44.5	20%	0.202	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-45	176.5	-61.4	0	0	0	0	110.9	V567 D570 V571 S576 T581 N582 L583	V567-T579 HydrophobicContact CG1-CG2 3.81Å; D570-T579 HydrophobicContact CB-CG2 4.36Å; V571-T579 HydrophobicContact CG2-CG2 3.78Å; S576-T579 PolarHBondContact O-N 3.28Å; S576-T579 PolarHBondContact OG-N 2.92Å; S576-T579 PolarHBondContact OG-OG1 2.87Å; T579-T581 PolarHBondContact O-N 3.01Å; T579-N582 PolarHBondContact O-N 3.24Å; T579-L583 WeakPolarHBondContact O-CG 3.37Å; T579-L583 PolarHBondContact O-N 3.27Å; T579-L583 VanDerWaalsContact O-N 3.11Å
580	A	96.1	Very high	96	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-39.6	175.6	0	0	0	0	0	112.4	V490 V571 S576 V577 L583 A584	V490-A580 HydrophobicContact CB-CB 4.31Å; V490-A580 HydrophobicContact CG1-CB 4.43Å; V490-A580 HydrophobicContact CG2-CB 3.86Å; V571-A580 HydrophobicContact CG2-CB 4.4Å; S576-A580 PolarHBondContact O-N 2.84Å; V577-A580 PolarHBondContact O-N 3.45Å; A580-L583 WeakPolarHBondContact O-CB 3.21Å; A580-L583 PolarHBondContact O-N 3.34Å; A580-A584 PolarHBondContact O-N 2.86Å
581	T	95.7	Very high	95.9	Very high	18 Å²	18	41.4 Å²	41.4	11%	0.11	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-43.6	176.2	-59.1	0	0	0	0	111.4	L494 V577 M578 T579 L583 A584 L585 M816	L494-T581 HydrophobicContact CD1-CG2 4.15Å; V577-T581 WeakPolarHBondContact O-CB 3.46Å; V577-T581 PolarHBondContact O-N 3.01Å; V577-T581 PolarHBondContact O-OG1 2.98Å; M578-T581 PolarHBondContact O-N 3.41Å; T579-T581 PolarHBondContact O-N 3.01Å; T581-L583 VanDerWaalsContact C-N 3.27Å; T581-L583 PolarHBondContact O-N 3.11Å; T581-A584 WeakPolarHBondContact O-CB 3.26Å; T581-A584 PolarHBondContact O-N 3.39Å; T581-A584 VanDerWaalsContact O-N 3.15Å; T581-L585 WeakPolarHBondContact O-CG 3.19Å; T581-L585 PolarHBondContact O-N 3.03Å; T581-M816 HydrophobicContact CG2-CE 4.16Å
582	N	95.3	Very high	95.8	Very high	58 Å²	58	42.9 Å²	42.9	31%	0.31	22%	0.224	S	C	.	.	H	α-helix	trans	-65.3	-30.8	176.5	-72.8	-33.2	0	0	0	112.8	M578 T579	M578-N582 PolarHBondContact O-N 2.73Å; M578-N582 PolarHBondContact O-ND2 2.85Å; T579-N582 PolarHBondContact O-N 3.24Å
583	L	97	Very high	95.7	Very high	16 Å²	16	42.6 Å²	42.6	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-69.6	-44.8	170.1	-70.7	168.3	0	0	0	111.2	F483 V487 Q561 V567 V571 T579 A580 T581 L585 K586 I587	F483-L583 HydrophobicContact CE2-CD1 4.01Å; F483-L583 HydrophobicContact CZ-CD1 3.62Å; V487-L583 HydrophobicContact CG1-CB 4.28Å; V487-L583 HydrophobicContact CG2-CD1 3.96Å; Q561-L583 HydrophobicContact CG-CD2 4.34Å; V567-L583 HydrophobicContact CG1-CD1 4.02Å; V571-L583 HydrophobicContact CG2-CD1 4.43Å; T579-L583 WeakPolarHBondContact O-CG 3.37Å; T579-L583 PolarHBondContact O-N 3.27Å; T579-L583 VanDerWaalsContact O-N 3.11Å; A580-L583 WeakPolarHBondContact O-CB 3.21Å; A580-L583 PolarHBondContact O-N 3.34Å; T581-L583 VanDerWaalsContact C-N 3.27Å; T581-L583 PolarHBondContact O-N 3.11Å; L583-L585 VanDerWaalsContact C-N 3.31Å; L583-L585 PolarHBondContact O-N 2.8Å; L583-K586 WeakPolarHBondContact O-CB 3.36Å; L583-K586 PolarHBondContact O-N 2.75Å; L583-I587 WeakPolarHBondContact O-CG1 3.27Å; L583-I587 PolarHBondContact O-N 2.97Å
584	A	97.3	Very high	95.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-40.6	177.9	0	0	0	0	0	112.3	F457 V490 C491 L494 A580 T581 K586 I587 N588	F457-A584 HydrophobicContact CE2-CB 4.4Å; F457-A584 HydrophobicContact CZ-CB 4.24Å; V490-A584 HydrophobicContact CG1-CB 4.15Å; C491-A584 VanDerWaalsContact SG-CB 3.57Å; L494-A584 HydrophobicContact CD1-CB 3.98Å; A580-A584 PolarHBondContact O-N 2.86Å; T581-A584 WeakPolarHBondContact O-CB 3.26Å; T581-A584 PolarHBondContact O-N 3.39Å; T581-A584 VanDerWaalsContact O-N 3.15Å; A584-K586 VanDerWaalsContact C-N 3.28Å; A584-K586 PolarHBondContact O-N 3.01Å; A584-I587 PolarHBondContact O-N 3.33Å; A584-N588 WeakPolarHBondContact O-CB 3.45Å; A584-N588 PolarHBondContact O-N 3.37Å
585	L	97.3	Very high	95.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-53	-45.8	172.9	-77.3	172.7	0	0	0	111.9	M452 F457 T581 L583 M589 N595 M816	M452-L585 HydrophobicContact SD-CD2 4.42Å; F457-L585 HydrophobicContact CD1-CD2 4.4Å; F457-L585 HydrophobicContact CE1-CD2 3.46Å; F457-L585 VanDerWaalsContact CE1-CD2 3.46Å; F457-L585 HydrophobicContact CE1-CG 4.25Å; F457-L585 HydrophobicContact CZ-CD2 4.03Å; F457-L585 HydrophobicContact CZ-CG 4.38Å; T581-L585 WeakPolarHBondContact O-CG 3.19Å; T581-L585 PolarHBondContact O-N 3.03Å; L583-L585 VanDerWaalsContact C-N 3.31Å; L583-L585 PolarHBondContact O-N 2.8Å; L585-M589 WeakPolarHBondContact O-CG 3.27Å; L585-N595 WeakPolarHBondContact CA-ND2 3.4Å; L585-N595 HydrophobicContact CD2-CB 4.08Å; L585-N595 VanDerWaalsContact CD2-ND2 3.34Å; L585-N595 WeakPolarHBondContact CD2-ND2 3.31Å; L585-N595 PolarHBondContact O-ND2 3.28Å; L585-M816 HydrophobicContact CD1-CG 4.38Å
586	K	97.2	Very high	95.8	Very high	38 Å²	38	24.5 Å²	24.5	17%	0.165	15%	0.145	C	C	.	.	H	α-helix	trans	-70.7	-43.4	179.4	-64.6	-179	61.3	136.7	0	112	L583 A584 K590 R814 I880	L583-K586 WeakPolarHBondContact O-CB 3.36Å; L583-K586 PolarHBondContact O-N 2.75Å; A584-K586 VanDerWaalsContact C-N 3.28Å; A584-K586 PolarHBondContact O-N 3.01Å; K586-K590 WeakPolarHBondContact O-CB 3.45Å; K586-K590 VanDerWaalsContact O-CG 3.31Å; K586-K590 WeakPolarHBondContact O-CG 3.19Å; K586-K590 PolarHBondContact O-N 3.45Å; K586-K590 VanDerWaalsContact O-N 3.12Å; K586-R814 HydrophobicContact CG-CG 4.3Å; K586-I880 HydrophobicContact CB-CG2 3.95Å; K586-I880 WeakPolarHBondContact CE-O 3.39Å; K586-I880 HydrophobicContact CG-CG2 4.01Å; K586-I880 PolarHBondContact NZ-O 2.62Å
587	I	97.9	Very high	95.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-45.7	-178.9	-68.3	162.3	0	0	0	109.9	V487 L534 F536 Q561 L583 A584 M589 K590 M591	V487-I587 HydrophobicContact CG1-CD1 3.6Å; L534-I587 HydrophobicContact CD2-CG1 4.4Å; L534-I587 HydrophobicContact CD2-CG2 3.98Å; F536-I587 HydrophobicContact CE1-CD1 3.79Å; F536-I587 HydrophobicContact CZ-CD1 3.65Å; Q561-I587 HydrophobicContact CB-CG1 4.43Å; Q561-I587 HydrophobicContact CG-CD1 4.35Å; Q561-I587 HydrophobicContact CG-CG1 4.1Å; L583-I587 WeakPolarHBondContact O-CG1 3.27Å; L583-I587 PolarHBondContact O-N 2.97Å; A584-I587 PolarHBondContact O-N 3.33Å; I587-M589 PolarHBondContact O-N 2.9Å; I587-K590 WeakPolarHBondContact O-CB 3.47Å; I587-K590 PolarHBondContact O-N 3.19Å; I587-M591 HydrophobicContact CG2-CG 4.18Å; I587-M591 WeakPolarHBondContact O-CB 3.49Å; I587-M591 VanDerWaalsContact O-CG 3.27Å; I587-M591 WeakPolarHBondContact O-CG 3.17Å; I587-M591 PolarHBondContact O-N 2.89Å
588	N	97.7	Very high	95.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58	-48.4	-178.7	-170.4	49.2	0	0	0	111.9	F457 Q459 G460 G461 V496 A584 K590 M591 G592 G593 N595	F457-N588 HydrophobicContact CD2-CB 3.79Å; F457-N588 VanDerWaalsContact CD2-CG 3.5Å; F457-N588 WeakPolarHBondContact CD2-ND2 3.45Å; F457-N588 HydrophobicContact CE2-CB 3.69Å; F457-N588 HydrophobicContact CZ-CB 4.4Å; Q459-N588 PolarHBondContact O-ND2 3.11Å; G460-N588 WeakPolarHBondContact CA-OD1 3.42Å; G461-N588 PolarHBondContact N-OD1 2.6Å; V496-N588 HydrophobicContact CG2-CB 3.95Å; V496-N588 WeakPolarHBondContact CG2-OD1 3.44Å; A584-N588 WeakPolarHBondContact O-CB 3.45Å; A584-N588 PolarHBondContact O-N 3.37Å; N588-K590 VanDerWaalsContact C-N 3.34Å; N588-K590 PolarHBondContact O-N 3.37Å; N588-M591 CarbonylContact O-C 3.6Å; N588-M591 WeakPolarHBondContact O-CA 3.42Å; N588-M591 PolarHBondContact O-N 3.02Å; N588-G592 PolarHBondContact O-N 2.91Å; N588-G593 WeakPolarHBondContact O-CA 3.46Å; N588-G593 PolarHBondContact O-N 3.48Å; N588-N595 VanDerWaalsContact CB-OD1 3.28Å; N588-N595 WeakPolarHBondContact CB-OD1 3.44Å; N588-N595 PolarHBondContact ND2-OD1 3.4Å
589	M	96.5	Very high	96.1	Very high	10 Å²	10	18.3 Å²	18.3	5%	0.049	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-41.7	177	-66.5	175.5	69.2	0	0	112.9	L585 I587 M591 G592 G593 G813 F827 M877 I880	L585-M589 WeakPolarHBondContact O-CG 3.27Å; I587-M589 PolarHBondContact O-N 2.9Å; M589-M591 PolarHBondContact O-N 2.87Å; M589-G592 PolarHBondContact O-N 2.98Å; M589-G593 WeakPolarHBondContact CA-O 3.25Å; M589-G813 VanDerWaalsContact SD-CA 3.53Å; M589-F827 HydrophobicContact CE-CE1 4.27Å; M589-F827 HydrophobicContact CE-CZ 4.11Å; M589-M877 HydrophobicContact CB-SD 4.46Å; M589-M877 HydrophobicContact CE-CE 3.14Å; M589-M877 HydrophobicContact CE-SD 3.41Å; M589-M877 WeakPolarHBondContact CE-SD 3.45Å; M589-I880 HydrophobicContact CE-CD1 3.77Å; M589-I880 HydrophobicContact CE-CG1 3.83Å; M589-I880 HydrophobicContact SD-CG1 4.5Å; M589-I880 HydrophobicContact SD-CG2 4.38Å
590	K	95.9	Very high	95.9	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.039	11%	0.107	C	C	.	.	H	α-helix	trans	-61.3	-32.8	175.2	-79.5	177.7	172.5	174.5	0	112.4	M559 T560 K586 I587 N588 G592 I880	M559-K590 HydrophobicContact CE-CB 4.03Å; M559-K590 HydrophobicContact CE-CG 4.29Å; M559-K590 WeakPolarHBondContact CE-O 3.28Å; M559-K590 HydrophobicContact CG-CB 3.69Å; M559-K590 HydrophobicContact CG-CD 3.82Å; M559-K590 HydrophobicContact CG-CG 4.03Å; M559-K590 HydrophobicContact SD-CB 3.67Å; M559-K590 HydrophobicContact SD-CD 3.64Å; M559-K590 HydrophobicContact SD-CG 3.51Å; M559-K590 VanDerWaalsContact SD-CG 3.51Å; T560-K590 PolarHBondContact O-NZ 3.33Å; K586-K590 WeakPolarHBondContact O-CB 3.45Å; K586-K590 VanDerWaalsContact O-CG 3.31Å; K586-K590 WeakPolarHBondContact O-CG 3.19Å; K586-K590 PolarHBondContact O-N 3.45Å; K586-K590 VanDerWaalsContact O-N 3.12Å; I587-K590 WeakPolarHBondContact O-CB 3.47Å; I587-K590 PolarHBondContact O-N 3.19Å; N588-K590 VanDerWaalsContact C-N 3.34Å; N588-K590 PolarHBondContact O-N 3.37Å; K590-G592 VanDerWaalsContact C-N 3.27Å; K590-G592 PolarHBondContact O-N 2.93Å; K590-I880 WeakPolarHBondContact CE-OXT 3.37Å; K590-I880 PolarHBondContact NZ-OXT 2.97Å; K590-I880 VanDerWaalsContact NZ-OXT 3.07Å
591	M	95.2	Very high	95.9	Very high	28 Å²	28	20 Å²	20	14%	0.138	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	16.5	179.7	-62.9	-46	-48.1	0	0	113.7	G461 K462 C463 R533 L534 I587 N588 M589 G593	G461-M591 WeakPolarHBondContact CA-O 3.4Å; K462-M591 WeakPolarHBondContact O-CE 3.47Å; C463-M591 HydrophobicContact CB-CE 4.01Å; C463-M591 HydrophobicContact CB-CG 3.97Å; C463-M591 HydrophobicContact CB-SD 4.21Å; R533-M591 HydrophobicContact CB-CE 3.66Å; R533-M591 HydrophobicContact CG-CE 4.35Å; L534-M591 HydrophobicContact CB-SD 4.4Å; I587-M591 HydrophobicContact CG2-CG 4.18Å; I587-M591 WeakPolarHBondContact O-CB 3.49Å; I587-M591 VanDerWaalsContact O-CG 3.27Å; I587-M591 WeakPolarHBondContact O-CG 3.17Å; I587-M591 PolarHBondContact O-N 2.89Å; N588-M591 CarbonylContact O-C 3.6Å; N588-M591 WeakPolarHBondContact O-CA 3.42Å; N588-M591 PolarHBondContact O-N 3.02Å; M589-M591 PolarHBondContact O-N 2.87Å; M591-G593 VanDerWaalsContact C-N 3.28Å; M591-G593 PolarHBondContact O-N 3.06Å
592	G	93	Very high	95.9	Very high	36 Å²	36	24.1 Å²	24.1	37%	0.371	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	19	179.8	0	0	0	0	0	114	N588 M589 K590	N588-G592 PolarHBondContact O-N 2.91Å; M589-G592 PolarHBondContact O-N 2.98Å; K590-G592 VanDerWaalsContact C-N 3.27Å; K590-G592 PolarHBondContact O-N 2.93Å
593	G	95.7	Very high	96	Very high	4 Å²	4	23.7 Å²	23.7	4%	0.041	14%	0.138	C	C	.	.			trans	-88.8	155.3	172.3	0	0	0	0	0	112.1	Q459 N588 M589 M591	Q459-G593 CarbonylContact O-C 3.52Å; Q459-G593 VanDerWaalsContact O-CA 3.23Å; Q459-G593 WeakPolarHBondContact O-CA 3.39Å; N588-G593 WeakPolarHBondContact O-CA 3.46Å; N588-G593 PolarHBondContact O-N 3.48Å; M589-G593 WeakPolarHBondContact CA-O 3.25Å; M591-G593 VanDerWaalsContact C-N 3.28Å; M591-G593 PolarHBondContact O-N 3.06Å
594	V	96	Very high	95.9	Very high	8 Å²	8	23 Å²	23	5%	0.048	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-108.4	115.5	175.6	177.3	0	0	0	0	108.9	F458 Q459 T596 A645 E646	F458-V594 HydrophobicContact CB-CG1 4.3Å; F458-V594 HydrophobicContact CD1-CB 4.14Å; F458-V594 HydrophobicContact CD1-CG1 3.99Å; F458-V594 PolarHBondContact N-O 3.48Å; Q459-V594 HydrophobicContact CB-CB 4.01Å; Q459-V594 HydrophobicContact CB-CG2 4.47Å; Q459-V594 PolarHBondContact N-O 3.45Å; Q459-V594 PolarHBondContact O-N 3.17Å; Q459-V594 VanDerWaalsContact O-O 3.12Å; V594-T596 WeakPolarHBondContact CG1-O 3.43Å; V594-A645 HydrophobicContact CG1-CB 3.69Å; V594-A645 HydrophobicContact CG2-CB 4.29Å; V594-E646 HydrophobicContact CG2-CG 3.64Å
595	N	96	Very high	95.9	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.032	16%	0.158	C	C	.	.	S	Bend	trans	-66.3	-49.1	179.9	-67.3	-12.5	0	0	0	111.2	Y434 F457 F458 L585 N588 G813	Y434-N595 WeakPolarHBondContact CD1-O 3.47Å; Y434-N595 WeakPolarHBondContact CE1-O 3.39Å; F457-N595 WeakPolarHBondContact CA-O 3.49Å; F457-N595 HydrophobicContact CD1-CB 3.88Å; F457-N595 HydrophobicContact CE1-CB 4.26Å; F458-N595 PolarHBondContact N-O 2.92Å; L585-N595 WeakPolarHBondContact CA-ND2 3.4Å; L585-N595 HydrophobicContact CD2-CB 4.08Å; L585-N595 VanDerWaalsContact CD2-ND2 3.34Å; L585-N595 WeakPolarHBondContact CD2-ND2 3.31Å; L585-N595 PolarHBondContact O-ND2 3.28Å; N588-N595 VanDerWaalsContact CB-OD1 3.28Å; N588-N595 WeakPolarHBondContact CB-OD1 3.44Å; N588-N595 PolarHBondContact ND2-OD1 3.4Å; N595-G813 PolarHBondContact ND2-O 2.96Å
596	T	95.2	Very high	95.8	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.055	18%	0.182	C	C	.	.			trans	-154.1	156.6	-178.9	-171.5	0	0	0	0	109.8	E433 Y434 V594	E433-T596 WeakPolarHBondContact O-CA 3.45Å; E433-T596 PolarHBondContact O-OG1 3.09Å; Y434-T596 WeakPolarHBondContact CE2-OG1 3.35Å; V594-T596 WeakPolarHBondContact CG1-O 3.43Å
597	R	94.4	Very high	95.7	Very high	55 Å²	55	31.4 Å²	31.4	21%	0.208	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.9	169.8	66.3	177.6	-171.2	-173	-4	110.2	E433 F458 A645	E433-R597 HydrophobicContact CB-CG 3.77Å; E433-R597 PolarHBondContact N-O 3.15Å; E433-R597 PolarHBondContact O-N 3.34Å; E433-R597 IonicContact OE1-CZ 2.68Å; E433-R597 IonicContact OE1-NE 2.81Å; E433-R597 IonicContact OE1-NH2 3.11Å; E433-R597 PolarHBondContact OE1-NH2 2.9Å; E433-R597 IonicContact OE2-CZ 2.98Å; E433-R597 IonicContact OE2-NE 3.82Å; E433-R597 PolarHBondContact OE2-NE 3.38Å; E433-R597 IonicContact OE2-NH2 3.18Å; E433-R597 PolarHBondContact OE2-NH2 2.9Å; F458-R597 HydrophobicContact CD1-CG 4.43Å; F458-R597 HydrophobicContact CD2-CG 4.1Å; F458-R597 HydrophobicContact CE2-CG 4.27Å; F458-R597 HydrophobicContact CG-CG 4.22Å; F458-R597 VanDerWaalsContact CZ-NE 3.3Å; R597-A645 HydrophobicContact CB-CB 4.44Å
598	L	96.2	Very high	95.6	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	137.4	168.3	-60.6	173	0	0	0	109	P430 L432 A600 V604 L608 Y807 V811	P430-L598 HydrophobicContact CB-CD2 3.66Å; P430-L598 HydrophobicContact CG-CD2 3.81Å; L432-L598 HydrophobicContact CD2-CD2 4.04Å; L598-A600 PolarHBondContact O-N 2.8Å; L598-V604 HydrophobicContact CB-CG1 4.18Å; L598-V604 HydrophobicContact CB-CG2 4.22Å; L598-L608 HydrophobicContact CD1-CD1 3.86Å; L598-Y807 HydrophobicContact CD1-CD2 4.47Å; L598-V811 HydrophobicContact CD1-CG1 4.28Å; L598-V811 HydrophobicContact CD2-CG1 3.87Å; L598-V811 HydrophobicContact CG-CG1 3.67Å
599	L	96	Very high	95.4	Very high	42 Å²	42	32.5 Å²	32.5	22%	0.22	19%	0.185	C	C	.	.			trans	-60.3	131.1	170.4	-177.9	68.8	0	0	0	108.6	K431 V442 D601 V604	K431-L599 HydrophobicContact CB-CB 3.84Å; K431-L599 HydrophobicContact CB-CD2 3.73Å; K431-L599 HydrophobicContact CB-CG 4.44Å; K431-L599 HydrophobicContact CD-CD2 3.89Å; K431-L599 HydrophobicContact CG-CD2 4.34Å; K431-L599 WeakPolarHBondContact O-CB 3.33Å; K431-L599 PolarHBondContact O-N 2.91Å; V442-L599 HydrophobicContact CG1-CD2 4.44Å; V442-L599 HydrophobicContact CG2-CD1 4.07Å; V442-L599 HydrophobicContact CG2-CD2 4.41Å; L599-D601 PolarHBondContact O-N 3.44Å; L599-V604 WeakPolarHBondContact O-CB 3.16Å; L599-V604 WeakPolarHBondContact O-CG2 3.27Å
600	A	93	Very high	95.2	Very high	35 Å²	35	34.7 Å²	34.7	29%	0.289	21%	0.211	S	C	.	.			trans	-75.8	60.5	178.7	0	0	0	0	0	112.1	L598 K605	L598-A600 PolarHBondContact O-N 2.8Å; A600-K605 HydrophobicContact CB-CG 4.15Å; A600-K605 WeakPolarHBondContact O-CD 3.28Å; A600-K605 WeakPolarHBondContact O-CE 3.42Å
601	D	94.9	Very high	94.8	Very high	37 Å²	37	38.9 Å²	38.9	20%	0.198	23%	0.229	C	C	.	.			trans	-70.6	171.8	171.1	72.6	23.3	0	0	0	111.3	L599 F603 V604 K605	L599-D601 PolarHBondContact O-N 3.44Å; D601-F603 PolarHBondContact O-N 2.85Å; D601-F603 WeakPolarHBondContact OD1-CA 3.4Å; D601-F603 WeakPolarHBondContact OD1-CB 3.34Å; D601-F603 PolarHBondContact OD1-N 3.46Å; D601-V604 PolarHBondContact O-N 2.76Å; D601-V604 WeakPolarHBondContact OD1-CG2 3.23Å; D601-V604 PolarHBondContact OD1-N 2.77Å; D601-K605 WeakPolarHBondContact O-CB 3.27Å; D601-K605 WeakPolarHBondContact O-CG 3.49Å; D601-K605 PolarHBondContact O-N 3.01Å
602	P	96.7	Very high	94.7	Very high	106 Å²	106	38.2 Å²	38.2	69%	0.688	23%	0.226	S	C	*	.	H	α-helix	trans	-55.6	-35.5	-179.3	-28.3	36.9	0	0	0	114.2	T606	P602-T606 VanDerWaalsContact O-CB 3.31Å; P602-T606 WeakPolarHBondContact O-CB 3.48Å; P602-T606 PolarHBondContact O-N 3.12Å; P602-T606 PolarHBondContact O-OG1 3.34Å
603	F	96.4	Very high	94.9	Very high	49 Å²	49	36.5 Å²	36.5	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-67.9	-52.5	178.5	177.7	-87.2	0	0	0	110.8	D601 K605 T606 N607 T800 A803 I804 Y807	D601-F603 PolarHBondContact O-N 2.85Å; D601-F603 WeakPolarHBondContact OD1-CA 3.4Å; D601-F603 WeakPolarHBondContact OD1-CB 3.34Å; D601-F603 PolarHBondContact OD1-N 3.46Å; F603-K605 VanDerWaalsContact C-N 3.31Å; F603-K605 PolarHBondContact O-N 3.09Å; F603-T606 PolarHBondContact O-N 3.1Å; F603-N607 VanDerWaalsContact CD2-ND2 3.29Å; F603-N607 WeakPolarHBondContact CD2-ND2 3.31Å; F603-N607 HydrophobicContact CE1-CB 4.39Å; F603-N607 WeakPolarHBondContact CE2-ND2 3.32Å; F603-N607 HydrophobicContact CZ-CB 4.36Å; F603-N607 WeakPolarHBondContact O-CB 3.17Å; F603-N607 PolarHBondContact O-N 3.46Å; F603-N607 PolarHBondContact O-ND2 3.37Å; F603-T800 HydrophobicContact CE2-CG2 4.18Å; F603-T800 HydrophobicContact CZ-CG2 4.17Å; F603-A803 HydrophobicContact CE1-CB 3.91Å; F603-A803 HydrophobicContact CE2-CB 3.9Å; F603-A803 HydrophobicContact CZ-CB 3.37Å; F603-I804 HydrophobicContact CE1-CG1 4.23Å; F603-I804 HydrophobicContact CZ-CG1 4.08Å; F603-Y807 HydrophobicContact CD1-CD2 4.09Å; F603-Y807 AromaticContact CD1-CE2 3.68Å; F603-Y807 HydrophobicContact CD1-CE2 3.68Å; F603-Y807 HydrophobicContact CE1-CD2 4.11Å; F603-Y807 HydrophobicContact CE1-CE2 4.06Å
604	V	96.4	Very high	95	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-41	-179.9	172.7	0	0	0	0	110.8	L598 L599 D601 L608 T609 Y807	L598-V604 HydrophobicContact CB-CG1 4.18Å; L598-V604 HydrophobicContact CB-CG2 4.22Å; L599-V604 WeakPolarHBondContact O-CB 3.16Å; L599-V604 WeakPolarHBondContact O-CG2 3.27Å; D601-V604 PolarHBondContact O-N 2.76Å; D601-V604 WeakPolarHBondContact OD1-CG2 3.23Å; D601-V604 PolarHBondContact OD1-N 2.77Å; V604-L608 CarbonylContact O-C 3.59Å; V604-L608 WeakPolarHBondContact O-CA 3.4Å; V604-L608 WeakPolarHBondContact O-CB 3.48Å; V604-L608 PolarHBondContact O-N 3.19Å; V604-T609 HydrophobicContact CG1-CG2 3.87Å; V604-T609 PolarHBondContact O-N 3.07Å; V604-Y807 HydrophobicContact CG2-CD2 3.85Å; V604-Y807 HydrophobicContact CG2-CE2 3.87Å
605	K	96.1	Very high	95.1	Very high	115 Å²	115	35.9 Å²	35.9	50%	0.5	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-48.1	174.5	-77.6	176	171.7	170.8	0	112.1	A600 D601 F603 T609 G610	A600-K605 HydrophobicContact CB-CG 4.15Å; A600-K605 WeakPolarHBondContact O-CD 3.28Å; A600-K605 WeakPolarHBondContact O-CE 3.42Å; D601-K605 WeakPolarHBondContact O-CB 3.27Å; D601-K605 WeakPolarHBondContact O-CG 3.49Å; D601-K605 PolarHBondContact O-N 3.01Å; F603-K605 VanDerWaalsContact C-N 3.31Å; F603-K605 PolarHBondContact O-N 3.09Å; K605-T609 WeakPolarHBondContact CA-OG1 3.37Å; K605-G610 WeakPolarHBondContact O-CA 3.38Å; K605-G610 PolarHBondContact O-N 3.38Å
606	T	96	Very high	95.2	Very high	82 Å²	82	35.6 Å²	35.6	50%	0.503	20%	0.202	S	C	.	.	H	α-helix	trans	-69.7	-38.5	-175.9	-57.5	0	0	0	0	112.5	P602 F603 R685	P602-T606 VanDerWaalsContact O-CB 3.31Å; P602-T606 WeakPolarHBondContact O-CB 3.48Å; P602-T606 PolarHBondContact O-N 3.12Å; P602-T606 PolarHBondContact O-OG1 3.34Å; F603-T606 PolarHBondContact O-N 3.1Å; T606-R685 PolarHBondContact O-NH1 3.24Å
607	N	95.5	Very high	95.4	Very high	18 Å²	18	35.2 Å²	35.2	10%	0.096	20%	0.2	C	C	.	.	H	α-helix	trans	-101.8	-22	-167.2	-67.7	-43.7	0	0	0	114.2	F603 R685 T800 I804	F603-N607 VanDerWaalsContact CD2-ND2 3.29Å; F603-N607 WeakPolarHBondContact CD2-ND2 3.31Å; F603-N607 HydrophobicContact CE1-CB 4.39Å; F603-N607 WeakPolarHBondContact CE2-ND2 3.32Å; F603-N607 HydrophobicContact CZ-CB 4.36Å; F603-N607 WeakPolarHBondContact O-CB 3.17Å; F603-N607 PolarHBondContact O-N 3.46Å; F603-N607 PolarHBondContact O-ND2 3.37Å; N607-R685 PolarHBondContact O-NH1 2.93Å; N607-T800 HydrophobicContact CB-CG2 4.22Å; N607-I804 HydrophobicContact CB-CD1 4.07Å; N607-I804 HydrophobicContact CB-CG1 4.28Å
608	L	94.9	Very high	95.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-73.2	-178.7	-63.3	171.5	0	0	0	111.6	L598 V604 T613 V615 I687 I804	L598-L608 HydrophobicContact CD1-CD1 3.86Å; V604-L608 CarbonylContact O-C 3.59Å; V604-L608 WeakPolarHBondContact O-CA 3.4Å; V604-L608 WeakPolarHBondContact O-CB 3.48Å; V604-L608 PolarHBondContact O-N 3.19Å; L608-T613 HydrophobicContact CD2-CG2 4.38Å; L608-T613 WeakPolarHBondContact O-CB 3.13Å; L608-T613 PolarHBondContact O-N 2.94Å; L608-T613 PolarHBondContact O-OG1 2.98Å; L608-V615 HydrophobicContact CD2-CG2 4.21Å; L608-I687 HydrophobicContact CD2-CD1 4.45Å; L608-I804 HydrophobicContact CD2-CG2 4.22Å
609	T	93.5	Very high	95.3	Very high	22 Å²	22	32.7 Å²	32.7	14%	0.135	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-79.4	-35.2	-161.3	61.9	0	0	0	0	114	V604 K605 K611 D612 V642	V604-T609 HydrophobicContact CG1-CG2 3.87Å; V604-T609 PolarHBondContact O-N 3.07Å; K605-T609 WeakPolarHBondContact CA-OG1 3.37Å; T609-K611 VanDerWaalsContact C-N 3.3Å; T609-K611 PolarHBondContact O-N 3.36Å; T609-D612 PolarHBondContact O-N 2.9Å; T609-V642 WeakPolarHBondContact CG2-O 3.24Å
610	G	91.2	Very high	94.9	Very high	57 Å²	57	31.3 Å²	31.3	59%	0.588	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-77.1	-10.1	-176.8	0	0	0	0	0	115.1	K605	K605-G610 WeakPolarHBondContact O-CA 3.38Å; K605-G610 PolarHBondContact O-N 3.38Å
611	K	88.3	Confident	94.4	Very high	97 Å²	97	31.2 Å²	31.2	42%	0.422	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-111.9	16.6	175.4	-65.3	-154	-169.2	179.1	0	113.6	T609 T613 S684 R685	T609-K611 VanDerWaalsContact C-N 3.3Å; T609-K611 PolarHBondContact O-N 3.36Å; K611-T613 VanDerWaalsContact C-N 3.31Å; K611-T613 PolarHBondContact O-N 3.43Å; K611-S684 VanDerWaalsContact O-CB 3.31Å; K611-S684 WeakPolarHBondContact O-CB 3.04Å; K611-R685 VanDerWaalsContact NZ-NH2 3.16Å
612	D	93	Very high	93.7	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.07	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	52.8	-178.2	-60.7	-46.8	0	0	0	111.7	T609 L614 F675 R681 P683 S684	T609-D612 PolarHBondContact O-N 2.9Å; D612-L614 PolarHBondContact O-N 3.22Å; D612-F675 HydrophobicContact CB-CE1 4.08Å; D612-F675 HydrophobicContact CB-CZ 3.99Å; D612-R681 VanDerWaalsContact CG-CZ 3.48Å; D612-R681 IonicContact OD1-CZ 3.26Å; D612-R681 IonicContact OD1-NE 2.88Å; D612-R681 PolarHBondContact OD1-NE 3.2Å; D612-R681 IonicContact OD1-NH1 4Å; D612-R681 IonicContact OD1-NH2 3.72Å; D612-R681 PolarHBondContact OD1-NH2 2.97Å; D612-R681 WeakPolarHBondContact OD2-CD 3.28Å; D612-R681 IonicContact OD2-CZ 3.57Å; D612-R681 VanDerWaalsContact OD2-CZ 3.26Å; D612-R681 IonicContact OD2-NE 3.01Å; D612-R681 PolarHBondContact OD2-NE 2.73Å; D612-R681 IonicContact OD2-NH1 3.73Å; D612-R681 IonicContact OD2-NH2 3.3Å; D612-P683 WeakPolarHBondContact O-CA 3.41Å; D612-P683 WeakPolarHBondContact O-CB 3.41Å; D612-S684 PolarHBondContact O-N 2.57Å
613	T	97.4	Very high	92.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124	-173	-56	0	0	0	0	110.8	L608 K611 V615 N639 R685 I687	L608-T613 HydrophobicContact CD2-CG2 4.38Å; L608-T613 WeakPolarHBondContact O-CB 3.13Å; L608-T613 PolarHBondContact O-N 2.94Å; L608-T613 PolarHBondContact O-OG1 2.98Å; K611-T613 VanDerWaalsContact C-N 3.31Å; K611-T613 PolarHBondContact O-N 3.43Å; T613-V615 HydrophobicContact CG2-CG2 4.01Å; T613-N639 PolarHBondContact O-ND2 2.89Å; T613-N639 VanDerWaalsContact O-ND2 3.13Å; T613-R685 WeakPolarHBondContact CA-O 3.43Å; T613-R685 HydrophobicContact CG2-CB 4.31Å; T613-R685 HydrophobicContact CG2-CG 3.96Å; T613-I687 HydrophobicContact CG2-CD1 3.82Å; T613-I687 HydrophobicContact CG2-CG1 3.89Å
614	L	98.2	Very high	91.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113	166.4	176.7	62.1	0	0	0	109.3	D612 L616 N639 I672 F675 P683 R685 I686 I687	D612-L614 PolarHBondContact O-N 3.22Å; L614-L616 HydrophobicContact CD1-CD2 3.96Å; L614-L616 HydrophobicContact CD2-CD2 4Å; L614-L616 HydrophobicContact CD2-CG 4.34Å; L614-L616 HydrophobicContact CG-CD2 3.83Å; L614-L616 HydrophobicContact CG-CG 4.06Å; L614-N639 WeakPolarHBondContact CD1-O 3.48Å; L614-I672 HydrophobicContact CD2-CB 4.49Å; L614-I672 HydrophobicContact CD2-CG1 3.79Å; L614-F675 HydrophobicContact CD1-CB 4.21Å; L614-F675 HydrophobicContact CD1-CD2 4.19Å; L614-F675 HydrophobicContact CD1-CG 4.46Å; L614-P683 HydrophobicContact CB-CB 3.73Å; L614-P683 HydrophobicContact CB-CG 3.65Å; L614-P683 HydrophobicContact CD2-CG 3.96Å; L614-P683 HydrophobicContact CG-CG 4.4Å; L614-R685 PolarHBondContact N-O 3.1Å; L614-I686 HydrophobicContact CB-CG1 4.39Å; L614-I686 CarbonylContact O-C 3.14Å; L614-I686 VanDerWaalsContact O-CA 3.31Å; L614-I686 WeakPolarHBondContact O-CA 3.44Å; L614-I687 PolarHBondContact O-N 2.71Å
615	V	98.5	Very high	89.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.3	174.5	-170.8	0	0	0	0	109.2	L608 T613 G638 N639 I687 F689 L808 P824	L608-V615 HydrophobicContact CD2-CG2 4.21Å; T613-V615 HydrophobicContact CG2-CG2 4.01Å; V615-G638 WeakPolarHBondContact O-CA 3.24Å; V615-N639 WeakPolarHBondContact CA-OD1 3.49Å; V615-N639 PolarHBondContact N-OD1 2.89Å; V615-N639 PolarHBondContact O-N 2.97Å; V615-N639 PolarHBondContact O-OD1 2.64Å; V615-I687 CarbonylContact C-O 3.45Å; V615-I687 WeakPolarHBondContact CA-O 3.4Å; V615-F689 HydrophobicContact CG1-CD2 3.99Å; V615-F689 HydrophobicContact CG1-CE2 3.97Å; V615-L808 HydrophobicContact CG1-CD1 3.73Å; V615-L808 HydrophobicContact CG1-CD2 4.48Å; V615-P824 HydrophobicContact CB-CG 4.45Å; V615-P824 HydrophobicContact CG1-CB 4.46Å; V615-P824 HydrophobicContact CG1-CG 3.65Å
616	L	98.5	Very high	88.2	Confident	0 Å²	0	34 Å²	34	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.9	179.6	-60.8	175.5	0	0	0	110.9	L614 V636 V637 F668 R671 I686 I687 L688 F689 L709	L614-L616 HydrophobicContact CD1-CD2 3.96Å; L614-L616 HydrophobicContact CD2-CD2 4Å; L614-L616 HydrophobicContact CD2-CG 4.34Å; L614-L616 HydrophobicContact CG-CD2 3.83Å; L614-L616 HydrophobicContact CG-CG 4.06Å; L616-V636 HydrophobicContact CD2-CG1 4.25Å; L616-V637 CarbonylContact C-O 3.5Å; L616-V637 VanDerWaalsContact CA-O 3.24Å; L616-V637 WeakPolarHBondContact CA-O 3.45Å; L616-F668 HydrophobicContact CD1-CD1 3.83Å; L616-F668 HydrophobicContact CD1-CE1 3.98Å; L616-R671 HydrophobicContact CD2-CB 3.99Å; L616-R671 HydrophobicContact CD2-CG 4.22Å; L616-I686 HydrophobicContact CD1-CG2 3.74Å; L616-I686 HydrophobicContact CG-CG2 4.23Å; L616-I687 PolarHBondContact N-O 2.63Å; L616-L688 HydrophobicContact CB-CB 4.34Å; L616-L688 HydrophobicContact CB-CG 4.21Å; L616-L688 HydrophobicContact CD1-CD1 4.43Å; L616-F689 PolarHBondContact O-N 3.41Å; L616-L709 HydrophobicContact CD1-CD1 4.4Å
617	G	97.9	Very high	86.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.8	165.7	0	0	0	0	0	109.7	V637 F689	G617-V637 PolarHBondContact N-O 3.33Å; G617-V637 PolarHBondContact O-N 3.29Å; G617-F689 CarbonylContact C-O 3.58Å; G617-F689 WeakPolarHBondContact CA-O 3.13Å
618	V	95.9	Very high	85.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.4	-178.2	-174.9	0	0	0	0	109.8	A635 V636 I661 F668 L688 F689 D691	V618-A635 WeakPolarHBondContact CA-O 3.16Å; V618-V636 HydrophobicContact CG1-CG2 4.46Å; V618-V636 HydrophobicContact CG2-CG1 4.29Å; V618-V636 HydrophobicContact CG2-CG2 4.28Å; V618-I661 HydrophobicContact CG1-CD1 3.4Å; V618-F668 HydrophobicContact CG2-CE1 4.26Å; V618-L688 HydrophobicContact CG2-CD1 4.17Å; V618-L688 HydrophobicContact CG2-CD2 4.06Å; V618-L688 HydrophobicContact CG2-CG 4.03Å; V618-F689 PolarHBondContact N-O 3.34Å; V618-D691 PolarHBondContact O-N 2.72Å
619	D	92.2	Very high	84.7	Confident	11 Å²	11	45 Å²	45	6%	0.059	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.3	176.1	-178.5	43.3	0	0	0	111.3	T621 A634 A635 A828 H829	D619-T621 PolarHBondContact OD2-OG1 3.31Å; D619-A634 WeakPolarHBondContact O-CA 3.32Å; D619-A635 PolarHBondContact N-O 2.73Å; D619-A635 VanDerWaalsContact N-O 3.13Å; D619-A635 PolarHBondContact O-N 2.88Å; D619-A828 HydrophobicContact CB-CB 3.77Å; D619-H829 WeakPolarHBondContact OD2-CA 3.47Å
620	V	87.9	Confident	84	Confident	12 Å²	12	44.1 Å²	44.1	7%	0.073	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.6	172.3	-178.8	0	0	0	0	108.8	I633 A634 I661	V620-I633 CarbonylContact C-O 3.59Å; V620-I633 WeakPolarHBondContact CA-O 3.19Å; V620-A634 HydrophobicContact CG2-CB 4.12Å; V620-I661 HydrophobicContact CG2-CD1 3.62Å; V620-I661 HydrophobicContact CG2-CG1 3.43Å; V620-I661 VanDerWaalsContact CG2-CG1 3.43Å
621	T	82.9	Confident	83.7	Confident	34 Å²	34	41.7 Å²	41.7	21%	0.209	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.7	176.4	-68.3	0	0	0	0	111	D619 I633 C832 R836	D619-T621 PolarHBondContact OD2-OG1 3.31Å; T621-I633 PolarHBondContact N-O 2.91Å; T621-I633 PolarHBondContact O-N 3.28Å; T621-C832 WeakPolarHBondContact OG1-CB 3.29Å; T621-R836 PolarHBondContact O-NH2 2.92Å; T621-R836 VanDerWaalsContact O-NH2 3.12Å
622	H	81.4	Confident	83.6	Confident	60 Å²	60	37 Å²	37	28%	0.278	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-82.5	153.7	170.8	-54.8	-53.2	0	0	0	112.7	S632 W658 E659	H622-S632 PolarHBondContact ND1-OG 3.46Å; H622-W658 PolarHBondContact CE1-O 3.21Å; H622-E659 IonicContact CE1-OE2 3.99Å; H622-E659 IonicContact NE2-OE2 3.31Å; H622-E659 PolarHBondContact NE2-OE2 3.43Å
623	P	73.4	Confident	83.4	Confident	13 Å²	13	36.4 Å²	36.4	8%	0.084	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-67.2	167.8	169.1	33.1	-39.5	0	0	0	112.2	D627 S630 N656 R657	P623-D627 HydrophobicContact CB-CB 4.09Å; P623-S630 WeakPolarHBondContact CG-O 3.49Å; P623-N656 WeakPolarHBondContact CG-ND2 3.48Å; P623-R657 PolarHBondContact O-NH2 2.98Å
624	H	68.5	Low	83.1	Confident	102 Å²	102	36.4 Å²	36.4	47%	0.472	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-57.9	151.8	178.4	-170.9	-98.4	0	0	0	111.6	A626 D627 R657	H624-A626 PolarHBondContact ND1-N 3.16Å; H624-A626 PolarHBondContact O-N 3.38Å; H624-D627 HydrophobicContact CB-CB 4.48Å; H624-D627 WeakPolarHBondContact O-CA 3.35Å; H624-D627 WeakPolarHBondContact O-CB 3.44Å; H624-D627 PolarHBondContact O-N 2.82Å; H624-R657 PolarHBondContact O-NH2 3.35Å
625	V	65	Low	82.9	Confident	110 Å²	110	36.4 Å²	36.4	67%	0.667	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.1	-175.7	-174.3	0	0	0	0	113.3	D627	V625-D627 VanDerWaalsContact C-N 3.35Å
626	A	62.2	Low	82.8	Confident	83 Å²	83	36.4 Å²	36.4	69%	0.686	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.4	177.4	0	0	0	0	0	113.8	H624	H624-A626 PolarHBondContact ND1-N 3.16Å; H624-A626 PolarHBondContact O-N 3.38Å
627	D	68.9	Low	82.8	Confident	30 Å²	30	36.4 Å²	36.4	16%	0.16	19%	0.192	C	C	.	.			trans	-95.7	108.3	-176.8	-177.6	-5.1	0	0	0	110	P623 H624 V625 D629 S630 N656	P623-D627 HydrophobicContact CB-CB 4.09Å; H624-D627 HydrophobicContact CB-CB 4.48Å; H624-D627 WeakPolarHBondContact O-CA 3.35Å; H624-D627 WeakPolarHBondContact O-CB 3.44Å; H624-D627 PolarHBondContact O-N 2.82Å; V625-D627 VanDerWaalsContact C-N 3.35Å; D627-D629 PolarHBondContact OD1-N 3.16Å; D627-D629 VanDerWaalsContact OD1-N 3.13Å; D627-S630 VanDerWaalsContact CG-OG 3.27Å; D627-S630 WeakPolarHBondContact OD1-CB 3.16Å; D627-S630 PolarHBondContact OD1-N 3.28Å; D627-S630 PolarHBondContact OD1-OG 3.38Å; D627-S630 WeakPolarHBondContact OD2-CB 3.32Å; D627-S630 PolarHBondContact OD2-OG 3.13Å; D627-N656 PolarHBondContact O-ND2 3.2Å
628	R	69.7	Low	82.7	Confident	205 Å²	205	36.5 Å²	36.5	77%	0.774	19%	0.193	S	C	*	.	S	Bend	trans	-98.1	-10	-176.4	-64.5	-172.6	176	-163.5	-3.3	113.3	N656	R628-N656 WeakPolarHBondContact CA-ND2 3.28Å; R628-N656 PolarHBondContact O-ND2 3.37Å
629	D	74.3	Confident	82.8	Confident	97 Å²	97	36.5 Å²	36.5	52%	0.519	19%	0.193	S	C	.	.	S	Bend	trans	-108.6	-33.2	-167.1	-54.2	-26.8	0	0	0	110.2	D627 R853	D627-D629 PolarHBondContact OD1-N 3.16Å; D627-D629 VanDerWaalsContact OD1-N 3.13Å; D629-R853 IonicContact OD2-CZ 3.74Å; D629-R853 IonicContact OD2-NH1 3.55Å; D629-R853 PolarHBondContact OD2-NH1 3.39Å; D629-R853 IonicContact OD2-NH2 2.67Å; D629-R853 PolarHBondContact OD2-NH2 3.05Å
630	S	78.7	Confident	82.9	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-63.2	142.6	177.1	-71.2	0	0	0	0	112.4	P623 D627 N656 T843	P623-S630 WeakPolarHBondContact CG-O 3.49Å; D627-S630 VanDerWaalsContact CG-OG 3.27Å; D627-S630 WeakPolarHBondContact OD1-CB 3.16Å; D627-S630 PolarHBondContact OD1-N 3.28Å; D627-S630 PolarHBondContact OD1-OG 3.38Å; D627-S630 WeakPolarHBondContact OD2-CB 3.32Å; D627-S630 PolarHBondContact OD2-OG 3.13Å; S630-N656 WeakPolarHBondContact O-CB 3.03Å; S630-N656 VanDerWaalsContact O-CG 3.32Å; S630-N656 PolarHBondContact O-ND2 2.92Å; S630-T843 VanDerWaalsContact OG-CB 3.24Å; S630-T843 WeakPolarHBondContact OG-CB 3.37Å; S630-T843 WeakPolarHBondContact OG-CG2 3.32Å
631	P	84.2	Confident	83.2	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.032	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-76.2	163.8	177.7	30.2	-35.9	0	0	0	112.1	V653 Q654 R836 F863	P631-V653 HydrophobicContact CB-CG1 3.22Å; P631-V653 HydrophobicContact CG-CG1 3.34Å; P631-Q654 WeakPolarHBondContact CA-O 3.44Å; P631-Q654 WeakPolarHBondContact CB-O 3.33Å; P631-R836 VanDerWaalsContact O-CZ 3.27Å; P631-R836 PolarHBondContact O-NH1 3.29Å; P631-R836 PolarHBondContact O-NH2 2.92Å; P631-F863 HydrophobicContact CG-CB 4.37Å; P631-F863 HydrophobicContact CG-CD1 3.76Å; P631-F863 HydrophobicContact CG-CD2 4.05Å; P631-F863 HydrophobicContact CG-CE1 3.98Å; P631-F863 HydrophobicContact CG-CE2 4.2Å; P631-F863 HydrophobicContact CG-CG 3.82Å; P631-F863 HydrophobicContact CG-CZ 4.19Å
632	S	86.8	Confident	83.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	152	162.4	-47.5	0	0	0	0	109.4	H622 Q654 P655 R657	H622-S632 PolarHBondContact ND1-OG 3.46Å; S632-Q654 PolarHBondContact N-O 2.85Å; S632-Q654 PolarHBondContact O-N 3.08Å; S632-P655 PolarHBondContact OG-O 3.48Å; S632-R657 PolarHBondContact OG-N 2.92Å
633	I	89.2	Confident	84.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.4	178.5	-60.8	173.4	0	0	0	107.6	V620 T621 I651 R836	V620-I633 CarbonylContact C-O 3.59Å; V620-I633 WeakPolarHBondContact CA-O 3.19Å; T621-I633 PolarHBondContact N-O 2.91Å; T621-I633 PolarHBondContact O-N 3.28Å; I633-I651 HydrophobicContact CG2-CG2 3.64Å; I633-R836 HydrophobicContact CD1-CB 4.16Å
634	A	91.3	Very high	85.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.3	172.6	0	0	0	0	0	110	D619 V620 I651 R652 I661	D619-A634 WeakPolarHBondContact O-CA 3.32Å; V620-A634 HydrophobicContact CG2-CB 4.12Å; A634-I651 WeakPolarHBondContact O-CA 3.49Å; A634-I651 WeakPolarHBondContact O-CG2 3.44Å; A634-R652 PolarHBondContact N-O 2.78Å; A634-R652 PolarHBondContact O-N 2.92Å; A634-I661 HydrophobicContact CB-CB 4.31Å; A634-I661 HydrophobicContact CB-CD1 4.14Å; A634-I661 HydrophobicContact CB-CG1 3.85Å; A634-I661 HydrophobicContact CB-CG2 3.57Å
635	A	94.1	Very high	86.3	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.8	172.7	0	0	0	0	0	111.1	V618 D619 S650 I651 A831 C832	V618-A635 WeakPolarHBondContact CA-O 3.16Å; D619-A635 PolarHBondContact N-O 2.73Å; D619-A635 VanDerWaalsContact N-O 3.13Å; D619-A635 PolarHBondContact O-N 2.88Å; A635-S650 CarbonylContact C-O 3.51Å; A635-S650 WeakPolarHBondContact CA-O 3.31Å; A635-I651 HydrophobicContact CB-CG1 4.16Å; A635-A831 HydrophobicContact CB-CB 3.92Å; A635-C832 WeakPolarHBondContact CB-SG 3.39Å
636	V	96.3	Very high	87.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.5	168.9	-175.8	0	0	0	0	108.3	L616 V618 A649 S650 L664 E667 F668 R671	L616-V636 HydrophobicContact CD2-CG1 4.25Å; V618-V636 HydrophobicContact CG1-CG2 4.46Å; V618-V636 HydrophobicContact CG2-CG1 4.29Å; V618-V636 HydrophobicContact CG2-CG2 4.28Å; V636-A649 CarbonylContact O-C 3.59Å; V636-A649 WeakPolarHBondContact O-CA 3.46Å; V636-S650 PolarHBondContact N-O 3.39Å; V636-S650 PolarHBondContact O-N 3.4Å; V636-L664 HydrophobicContact CG2-CD2 3.94Å; V636-E667 HydrophobicContact CB-CB 4.13Å; V636-E667 HydrophobicContact CG2-CB 3.77Å; V636-F668 HydrophobicContact CG1-CD1 3.87Å; V636-F668 HydrophobicContact CG1-CE1 3.9Å; V636-F668 HydrophobicContact CG2-CE1 4.23Å; V636-R671 HydrophobicContact CB-CG 4.46Å; V636-R671 HydrophobicContact CG1-CG 3.84Å
637	V	97.4	Very high	89.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.9	175.1	173.5	0	0	0	0	109.3	L616 G617 Y647 A648 A649 F827 A828 A831	L616-V637 CarbonylContact C-O 3.5Å; L616-V637 VanDerWaalsContact CA-O 3.24Å; L616-V637 WeakPolarHBondContact CA-O 3.45Å; G617-V637 PolarHBondContact N-O 3.33Å; G617-V637 PolarHBondContact O-N 3.29Å; V637-Y647 HydrophobicContact CG1-CD1 3.76Å; V637-Y647 HydrophobicContact CG1-CG 4.16Å; V637-A648 WeakPolarHBondContact CA-O 3.46Å; V637-A649 HydrophobicContact CG2-CB 3.79Å; V637-F827 HydrophobicContact CB-CB 4.36Å; V637-F827 HydrophobicContact CG1-CB 3.78Å; V637-F827 HydrophobicContact CG1-CD2 4.42Å; V637-F827 HydrophobicContact CG2-CB 4.22Å; V637-A828 HydrophobicContact CB-CB 4.4Å; V637-A828 HydrophobicContact CG2-CB 4.1Å; V637-A831 HydrophobicContact CG2-CB 4.36Å
638	G	97.6	Very high	90.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.8	176.1	0	0	0	0	0	111.4	V615 Y647 A648	V615-G638 WeakPolarHBondContact O-CA 3.24Å; G638-Y647 VanDerWaalsContact C-CD1 3.42Å; G638-Y647 VanDerWaalsContact O-CA 3.31Å; G638-Y647 WeakPolarHBondContact O-CA 3.45Å; G638-A648 PolarHBondContact N-O 3.23Å; G638-A648 VanDerWaalsContact N-O 3.09Å; G638-A648 PolarHBondContact O-N 3.04Å
639	N	96.7	Very high	91.8	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	144	170.3	57.9	-62.6	0	0	0	110.5	T613 L614 V615 D641 E646 Y647	T613-N639 PolarHBondContact O-ND2 2.89Å; T613-N639 VanDerWaalsContact O-ND2 3.13Å; L614-N639 WeakPolarHBondContact CD1-O 3.48Å; V615-N639 WeakPolarHBondContact CA-OD1 3.49Å; V615-N639 PolarHBondContact N-OD1 2.89Å; V615-N639 PolarHBondContact O-N 2.97Å; V615-N639 PolarHBondContact O-OD1 2.64Å; N639-D641 PolarHBondContact ND2-O 3.47Å; N639-E646 CarbonylContact C-O 3.53Å; N639-E646 WeakPolarHBondContact CA-O 3.38Å; N639-Y647 HydrophobicContact CB-CD1 4.04Å; N639-Y647 HydrophobicContact CB-CE1 3.74Å; N639-Y647 HydrophobicContact CB-CE2 4.49Å; N639-Y647 VanDerWaalsContact N-CD1 3.3Å
640	I	95.4	Very high	92.8	Very high	29 Å²	29	10.6 Å²	10.6	15%	0.149	6%	0.059	C	C	.	.	S	Bend	trans	-96	-35.3	175.5	-65.4	164.2	0	0	0	109.9	E646 A648 A674 P678 N679	I640-E646 PolarHBondContact N-O 3.08Å; I640-A648 HydrophobicContact CD1-CB 3.43Å; I640-A648 VanDerWaalsContact CD1-CB 3.43Å; I640-A648 HydrophobicContact CG1-CB 4.11Å; I640-A674 HydrophobicContact CG1-CB 4.5Å; I640-A674 WeakPolarHBondContact CG2-O 3.29Å; I640-P678 HydrophobicContact CG2-CG 3.75Å; I640-N679 PolarHBondContact O-ND2 3.02Å
641	D	93.5	Very high	93.4	Very high	16 Å²	16	11.1 Å²	11.1	9%	0.086	6%	0.062	C	C	.	.	S	Bend	trans	-95.4	158.9	-178.4	81.4	-55.8	0	0	0	112.1	N639 N643 C644 A645 E646	N639-D641 PolarHBondContact ND2-O 3.47Å; D641-N643 PolarHBondContact O-N 2.85Å; D641-N643 VanDerWaalsContact OD2-CA 3.29Å; D641-N643 WeakPolarHBondContact OD2-CA 3.43Å; D641-N643 WeakPolarHBondContact OD2-CB 3.35Å; D641-N643 PolarHBondContact OD2-N 3.4Å; D641-N643 PolarHBondContact OD2-ND2 2.87Å; D641-N643 VanDerWaalsContact OD2-ND2 3.13Å; D641-C644 PolarHBondContact O-N 2.83Å; D641-C644 PolarHBondContact OD1-N 3.19Å; D641-A645 PolarHBondContact OD1-N 3.12Å; D641-E646 HydrophobicContact CB-CB 4.44Å; D641-E646 PolarHBondContact OD1-N 3.3Å
642	V	93.3	Very high	93.7	Very high	27 Å²	27	13.2 Å²	13.2	16%	0.164	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18	177.5	-64.5	0	0	0	0	113.8	T609 F675 N679	T609-V642 WeakPolarHBondContact CG2-O 3.24Å; V642-F675 HydrophobicContact CG1-CZ 3.99Å; V642-N679 HydrophobicContact CG1-CB 4.4Å
643	N	92.2	Very high	93.7	Very high	51 Å²	51	13.5 Å²	13.5	27%	0.273	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	3.4	-177.9	-42.9	-81.3	0	0	0	113.5	D641 A645	D641-N643 PolarHBondContact O-N 2.85Å; D641-N643 VanDerWaalsContact OD2-CA 3.29Å; D641-N643 WeakPolarHBondContact OD2-CA 3.43Å; D641-N643 WeakPolarHBondContact OD2-CB 3.35Å; D641-N643 PolarHBondContact OD2-N 3.4Å; D641-N643 PolarHBondContact OD2-ND2 2.87Å; D641-N643 VanDerWaalsContact OD2-ND2 3.13Å; N643-A645 VanDerWaalsContact C-N 3.27Å; N643-A645 PolarHBondContact O-N 2.85Å
644	C	92.9	Very high	93.5	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.007	7%	0.071	C	C	.	.	S	Bend	trans	58.7	35.9	-179.1	-55.5	0	0	0	0	113.3	D641 Y647	D641-C644 PolarHBondContact O-N 2.83Å; D641-C644 PolarHBondContact OD1-N 3.19Å; C644-Y647 VanDerWaalsContact O-CE2 3.24Å; C644-Y647 WeakPolarHBondContact O-CE2 3.39Å; C644-Y647 PolarHBondContact O-OH 2.89Å
645	A	92.4	Very high	93	Very high	14 Å²	14	15.6 Å²	15.6	12%	0.116	8%	0.084	C	C	.	.			trans	-110.4	-29.8	-173.9	0	0	0	0	0	113.3	V594 R597 D641 N643	V594-A645 HydrophobicContact CG1-CB 3.69Å; V594-A645 HydrophobicContact CG2-CB 4.29Å; R597-A645 HydrophobicContact CB-CB 4.44Å; D641-A645 PolarHBondContact OD1-N 3.12Å; N643-A645 VanDerWaalsContact C-N 3.27Å; N643-A645 PolarHBondContact O-N 2.85Å
646	E	94.2	Very high	92.2	Very high	62 Å²	62	17.7 Å²	17.7	29%	0.29	10%	0.096	S	C	.	.			trans	-113	134.3	179.4	-64.3	-175.8	-106.9	0	0	110	V594 N639 I640 D641	V594-E646 HydrophobicContact CG2-CG 3.64Å; N639-E646 CarbonylContact C-O 3.53Å; N639-E646 WeakPolarHBondContact CA-O 3.38Å; I640-E646 PolarHBondContact N-O 3.08Å; D641-E646 HydrophobicContact CB-CB 4.44Å; D641-E646 PolarHBondContact OD1-N 3.3Å
647	Y	96.2	Very high	91	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.3	-175.4	-66.9	-100.6	0	0	0	111.7	V637 G638 N639 C644 P824 F827 M877	V637-Y647 HydrophobicContact CG1-CD1 3.76Å; V637-Y647 HydrophobicContact CG1-CG 4.16Å; G638-Y647 VanDerWaalsContact C-CD1 3.42Å; G638-Y647 VanDerWaalsContact O-CA 3.31Å; G638-Y647 WeakPolarHBondContact O-CA 3.45Å; N639-Y647 HydrophobicContact CB-CD1 4.04Å; N639-Y647 HydrophobicContact CB-CE1 3.74Å; N639-Y647 HydrophobicContact CB-CE2 4.49Å; N639-Y647 VanDerWaalsContact N-CD1 3.3Å; C644-Y647 VanDerWaalsContact O-CE2 3.24Å; C644-Y647 WeakPolarHBondContact O-CE2 3.39Å; C644-Y647 PolarHBondContact O-OH 2.89Å; Y647-P824 HydrophobicContact CE1-CB 4.05Å; Y647-P824 HydrophobicContact CE1-CG 3.69Å; Y647-F827 HydrophobicContact CD1-CD2 4.15Å; Y647-F827 AromaticContact CD2-CD2 3.84Å; Y647-F827 HydrophobicContact CD2-CD2 3.84Å; Y647-F827 AromaticContact CD2-CE2 3.48Å; Y647-F827 HydrophobicContact CD2-CE2 3.48Å; Y647-F827 VanDerWaalsContact CD2-CE2 3.48Å; Y647-F827 HydrophobicContact CE2-CD2 4.31Å; Y647-F827 AromaticContact CE2-CE2 3.77Å; Y647-F827 HydrophobicContact CE2-CE2 3.77Å; Y647-F827 AromaticContact CG-CD2 3.76Å; Y647-F827 HydrophobicContact CG-CD2 3.76Å; Y647-F827 AromaticContact CG-CE2 3.92Å; Y647-F827 HydrophobicContact CG-CE2 3.92Å; Y647-M877 HydrophobicContact CD2-CE 4.31Å; Y647-M877 WeakPolarHBondContact O-CG 3.44Å
648	A	95.6	Very high	89.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159.3	166.8	0	0	0	0	0	111.2	V637 G638 I640 R671	V637-A648 WeakPolarHBondContact CA-O 3.46Å; G638-A648 PolarHBondContact N-O 3.23Å; G638-A648 VanDerWaalsContact N-O 3.09Å; G638-A648 PolarHBondContact O-N 3.04Å; I640-A648 HydrophobicContact CD1-CB 3.43Å; I640-A648 VanDerWaalsContact CD1-CB 3.43Å; I640-A648 HydrophobicContact CG1-CB 4.11Å; A648-R671 WeakPolarHBondContact O-CD 3.49Å; A648-R671 PolarHBondContact O-NH1 2.99Å
649	A	95.8	Very high	88.4	Confident	8 Å²	8	30.3 Å²	30.3	7%	0.066	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.3	-174.6	0	0	0	0	0	111.6	V636 V637 I651 R671 A831 F879	V636-A649 CarbonylContact O-C 3.59Å; V636-A649 WeakPolarHBondContact O-CA 3.46Å; V637-A649 HydrophobicContact CG2-CB 3.79Å; A649-I651 HydrophobicContact CB-CD1 4.35Å; A649-I651 HydrophobicContact CB-CG1 4.15Å; A649-R671 PolarHBondContact O-NH2 2.86Å; A649-A831 HydrophobicContact CB-CB 3.84Å; A649-F879 HydrophobicContact CB-CD1 4Å; A649-F879 HydrophobicContact CB-CE1 3.8Å
650	S	94.6	Very high	87.2	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.7	155.3	-70.5	0	0	0	0	107.5	A635 V636 E670 R671	A635-S650 CarbonylContact C-O 3.51Å; A635-S650 WeakPolarHBondContact CA-O 3.31Å; V636-S650 PolarHBondContact N-O 3.39Å; V636-S650 PolarHBondContact O-N 3.4Å; S650-E670 WeakPolarHBondContact CB-OE2 3.4Å; S650-E670 WeakPolarHBondContact OG-CB 3.28Å; S650-E670 PolarHBondContact OG-OE2 3.2Å; S650-R671 VanDerWaalsContact OG-CZ 3.27Å; S650-R671 PolarHBondContact OG-NE 2.85Å; S650-R671 PolarHBondContact OG-NH2 2.92Å
651	I	92	Very high	86	Confident	14 Å²	14	30.3 Å²	30.3	7%	0.072	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.7	-174.2	-55.1	-179.6	0	0	0	109.4	I633 A634 A635 A649 A831 S835 V867 Y878	I633-I651 HydrophobicContact CG2-CG2 3.64Å; A634-I651 WeakPolarHBondContact O-CA 3.49Å; A634-I651 WeakPolarHBondContact O-CG2 3.44Å; A635-I651 HydrophobicContact CB-CG1 4.16Å; A649-I651 HydrophobicContact CB-CD1 4.35Å; A649-I651 HydrophobicContact CB-CG1 4.15Å; I651-A831 HydrophobicContact CD1-CB 3.89Å; I651-A831 HydrophobicContact CG1-CB 4.41Å; I651-S835 WeakPolarHBondContact CD1-OG 3.42Å; I651-S835 WeakPolarHBondContact CG2-OG 3.36Å; I651-V867 HydrophobicContact CG2-CB 4.37Å; I651-V867 HydrophobicContact CG2-CG2 4.47Å; I651-Y878 WeakPolarHBondContact CD1-OH 3.47Å
652	R	90	Very high	85.1	Confident	50 Å²	50	33.4 Å²	33.4	19%	0.189	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.4	177.2	-65.3	-68.6	-174	-83.3	-2.2	112	A634 Y663 E667 E670	A634-R652 PolarHBondContact N-O 2.78Å; A634-R652 PolarHBondContact O-N 2.92Å; R652-Y663 HydrophobicContact CB-CD2 3.87Å; R652-Y663 HydrophobicContact CB-CG 4.43Å; R652-Y663 HydrophobicContact CG-CD2 4.19Å; R652-Y663 HydrophobicContact CG-CG 4.27Å; R652-E667 VanDerWaalsContact CG-CD 3.43Å; R652-E667 HydrophobicContact CG-CG 3.68Å; R652-E667 WeakPolarHBondContact CG-OE1 3.27Å; R652-E667 PolarHBondContact N-OE1 3.37Å; R652-E670 IonicContact CZ-OE1 3.8Å; R652-E670 IonicContact NH1-OE1 2.81Å; R652-E670 IonicContact NH2-OE1 3.82Å; R652-E670 PolarHBondContact NH2-OE1 3.08Å; R652-E670 IonicContact NH2-OE2 2.81Å
653	V	88	Confident	84.5	Confident	5 Å²	5	37 Å²	37	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.4	174.6	-173.3	0	0	0	0	108.2	P631 Y663 F863 V867	P631-V653 HydrophobicContact CB-CG1 3.22Å; P631-V653 HydrophobicContact CG-CG1 3.34Å; V653-Y663 WeakPolarHBondContact O-CE2 3.36Å; V653-F863 HydrophobicContact CB-CB 4.38Å; V653-F863 HydrophobicContact CG1-CB 3.82Å; V653-F863 HydrophobicContact CG1-CG 4.46Å; V653-F863 HydrophobicContact CG2-CB 4.06Å; V653-V867 HydrophobicContact CG2-CB 4.3Å; V653-V867 HydrophobicContact CG2-CG1 3.79Å; V653-V867 HydrophobicContact CG2-CG2 3.5Å; V653-V867 VanDerWaalsContact CG2-CG2 3.5Å
654	Q	84.2	Confident	84.3	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	165.6	176.7	70.8	-165.5	47	0	0	110.8	P631 S632 W658 T660 L662	P631-Q654 WeakPolarHBondContact CA-O 3.44Å; P631-Q654 WeakPolarHBondContact CB-O 3.33Å; S632-Q654 PolarHBondContact N-O 2.85Å; S632-Q654 PolarHBondContact O-N 3.08Å; Q654-W658 PolarHBondContact NE2-O 2.99Å; Q654-T660 PolarHBondContact NE2-O 3.24Å; Q654-L662 HydrophobicContact CB-CD1 4.04Å; Q654-L662 HydrophobicContact CB-CG 4.39Å
655	P	79.8	Confident	84.3	Confident	44 Å²	44	38.3 Å²	38.3	29%	0.286	18%	0.177	S	C	.	.			trans	-57.4	157.6	-176.2	-21.2	30.3	0	0	0	113.3	S632 R657 W658 L662	S632-P655 PolarHBondContact OG-O 3.48Å; P655-R657 PolarHBondContact O-N 2.94Å; P655-W658 HydrophobicContact CB-CE3 3.82Å; P655-W658 HydrophobicContact CB-CZ3 4.42Å; P655-W658 HydrophobicContact CG-CE3 3.69Å; P655-W658 HydrophobicContact CG-CZ3 4.01Å; P655-W658 PolarHBondContact O-N 3.31Å; P655-L662 HydrophobicContact CG-CD1 4.16Å
656	N	77.3	Confident	84.3	Confident	44 Å²	44	40.4 Å²	40.4	24%	0.235	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	130.1	-176.7	-171.4	-54.3	0	0	0	110.9	P623 D627 R628 S630 W658	P623-N656 WeakPolarHBondContact CG-ND2 3.48Å; D627-N656 PolarHBondContact O-ND2 3.2Å; R628-N656 WeakPolarHBondContact CA-ND2 3.28Å; R628-N656 PolarHBondContact O-ND2 3.37Å; S630-N656 WeakPolarHBondContact O-CB 3.03Å; S630-N656 VanDerWaalsContact O-CG 3.32Å; S630-N656 PolarHBondContact O-ND2 2.92Å; N656-W658 PolarHBondContact O-N 2.83Å
657	R	72	Confident	84.3	Confident	108 Å²	108	37.4 Å²	37.4	41%	0.408	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	22	176.3	-72.5	164.4	-166.2	-59	-30.5	116.6	P623 H624 S632 P655	P623-R657 PolarHBondContact O-NH2 2.98Å; H624-R657 PolarHBondContact O-NH2 3.35Å; S632-R657 PolarHBondContact OG-N 2.92Å; P655-R657 PolarHBondContact O-N 2.94Å
658	W	72	Confident	84.3	Confident	121 Å²	121	37.4 Å²	37.4	46%	0.458	17%	0.173	S	C	.	.			trans	-82.9	123.5	170.4	-147.6	-48.8	0	0	0	110.1	H622 Q654 P655 N656	H622-W658 PolarHBondContact CE1-O 3.21Å; Q654-W658 PolarHBondContact NE2-O 2.99Å; P655-W658 HydrophobicContact CB-CE3 3.82Å; P655-W658 HydrophobicContact CB-CZ3 4.42Å; P655-W658 HydrophobicContact CG-CE3 3.69Å; P655-W658 HydrophobicContact CG-CZ3 4.01Å; P655-W658 PolarHBondContact O-N 3.31Å; N656-W658 PolarHBondContact O-N 2.83Å
659	E	67.8	Low	84.3	Confident	37 Å²	37	39.7 Å²	39.7	17%	0.173	18%	0.181	C	C	.	.			trans	-83.9	-39.6	178.7	-168.6	63.3	-145.2	0	0	112.5	H622 I661 R690	H622-E659 IonicContact CE1-OE2 3.99Å; H622-E659 IonicContact NE2-OE2 3.31Å; H622-E659 PolarHBondContact NE2-OE2 3.43Å; E659-I661 PolarHBondContact O-N 3Å; E659-R690 PolarHBondContact O-NH2 3.41Å; E659-R690 IonicContact OE1-CZ 2.86Å; E659-R690 IonicContact OE1-NH1 3.36Å; E659-R690 PolarHBondContact OE1-NH1 3.07Å; E659-R690 IonicContact OE1-NH2 3.26Å; E659-R690 PolarHBondContact OE1-NH2 3.44Å
660	T	71	Confident	84.3	Confident	22 Å²	22	41.2 Å²	41.2	14%	0.135	19%	0.187	C	C	.	.	S	Bend	trans	-61.9	129	170.7	-53.2	0	0	0	0	110.7	Q654 E704	Q654-T660 PolarHBondContact NE2-O 3.24Å; T660-E704 WeakPolarHBondContact CB-OE2 3.4Å; T660-E704 HydrophobicContact CG2-CB 4.33Å; T660-E704 HydrophobicContact CG2-CG 4.5Å; T660-E704 WeakPolarHBondContact CG2-OE2 3.22Å; T660-E704 PolarHBondContact OG1-OE2 2.79Å
661	I	72.1	Confident	84.4	Confident	7 Å²	7	41.7 Å²	41.7	4%	0.036	19%	0.188	C	C	.	.			trans	-88.5	121.2	-178.7	-56.2	163	0	0	0	109.7	V618 V620 A634 E659 L664	V618-I661 HydrophobicContact CG1-CD1 3.4Å; V620-I661 HydrophobicContact CG2-CD1 3.62Å; V620-I661 HydrophobicContact CG2-CG1 3.43Å; V620-I661 VanDerWaalsContact CG2-CG1 3.43Å; A634-I661 HydrophobicContact CB-CB 4.31Å; A634-I661 HydrophobicContact CB-CD1 4.14Å; A634-I661 HydrophobicContact CB-CG1 3.85Å; A634-I661 HydrophobicContact CB-CG2 3.57Å; E659-I661 PolarHBondContact O-N 3Å; I661-L664 HydrophobicContact CB-CD1 3.77Å; I661-L664 HydrophobicContact CB-CD2 3.8Å; I661-L664 HydrophobicContact CB-CG 3.48Å; I661-L664 VanDerWaalsContact CB-CG 3.48Å; I661-L664 HydrophobicContact CD1-CD1 4.36Å; I661-L664 HydrophobicContact CD1-CD2 3.73Å; I661-L664 HydrophobicContact CD1-CG 4.29Å; I661-L664 HydrophobicContact CG1-CD2 4.38Å; I661-L664 HydrophobicContact CG1-CG 4.48Å; I661-L664 HydrophobicContact CG2-CD1 4.37Å; I661-L664 HydrophobicContact CG2-CD2 3.61Å; I661-L664 HydrophobicContact CG2-CG 3.52Å
662	L	73.3	Confident	84.6	Confident	81 Å²	81	41 Å²	41	42%	0.424	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-34.4	-171.3	-69.5	174.1	0	0	0	114.2	Q654 P655	Q654-L662 HydrophobicContact CB-CD1 4.04Å; Q654-L662 HydrophobicContact CB-CG 4.39Å; P655-L662 HydrophobicContact CG-CD1 4.16Å
663	Y	81	Confident	85	Confident	103 Å²	103	44 Å²	44	40%	0.404	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	22.6	-166.9	-59.7	-72.7	0	0	0	113.2	R652 V653 E665 D666 E667	R652-Y663 HydrophobicContact CB-CD2 3.87Å; R652-Y663 HydrophobicContact CB-CG 4.43Å; R652-Y663 HydrophobicContact CG-CD2 4.19Å; R652-Y663 HydrophobicContact CG-CG 4.27Å; V653-Y663 WeakPolarHBondContact O-CE2 3.36Å; Y663-E665 VanDerWaalsContact C-N 3.29Å; Y663-E665 PolarHBondContact O-N 3.4Å; Y663-D666 PolarHBondContact O-N 3.36Å; Y663-E667 PolarHBondContact O-N 2.87Å; Y663-E667 VanDerWaalsContact O-N 3.17Å
664	L	87.9	Confident	85.3	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-38.5	-173	-81.9	175.7	0	0	0	114.3	V636 I661 D666 E667 F668 E705 A708	V636-L664 HydrophobicContact CG2-CD2 3.94Å; I661-L664 HydrophobicContact CB-CD1 3.77Å; I661-L664 HydrophobicContact CB-CD2 3.8Å; I661-L664 HydrophobicContact CB-CG 3.48Å; I661-L664 VanDerWaalsContact CB-CG 3.48Å; I661-L664 HydrophobicContact CD1-CD1 4.36Å; I661-L664 HydrophobicContact CD1-CD2 3.73Å; I661-L664 HydrophobicContact CD1-CG 4.29Å; I661-L664 HydrophobicContact CG1-CD2 4.38Å; I661-L664 HydrophobicContact CG1-CG 4.48Å; I661-L664 HydrophobicContact CG2-CD1 4.37Å; I661-L664 HydrophobicContact CG2-CD2 3.61Å; I661-L664 HydrophobicContact CG2-CG 3.52Å; L664-D666 VanDerWaalsContact C-N 3.28Å; L664-D666 PolarHBondContact O-N 2.89Å; L664-E667 PolarHBondContact O-N 3.34Å; L664-F668 HydrophobicContact CB-CD2 4.02Å; L664-F668 HydrophobicContact CB-CE2 3.74Å; L664-F668 HydrophobicContact CB-CZ 4.43Å; L664-F668 HydrophobicContact CD1-CE2 4.19Å; L664-F668 HydrophobicContact CD1-CZ 4.43Å; L664-F668 HydrophobicContact CD2-CE1 4.25Å; L664-F668 HydrophobicContact CD2-CE2 3.88Å; L664-F668 HydrophobicContact CD2-CZ 3.69Å; L664-F668 HydrophobicContact CG-CE2 4.14Å; L664-F668 HydrophobicContact CG-CZ 4.4Å; L664-F668 WeakPolarHBondContact O-CB 3.25Å; L664-F668 WeakPolarHBondContact O-CD2 3.27Å; L664-F668 VanDerWaalsContact O-CG 3.24Å; L664-F668 WeakPolarHBondContact O-CG 3.39Å; L664-F668 PolarHBondContact O-N 3.06Å; L664-E705 HydrophobicContact CD1-CB 3.8Å; L664-E705 HydrophobicContact CD1-CG 3.44Å; L664-E705 VanDerWaalsContact CD1-CG 3.44Å; L664-A708 HydrophobicContact CB-CB 3.64Å; L664-A708 HydrophobicContact CD1-CB 4.49Å
665	E	92.6	Very high	85.9	Confident	74 Å²	74	44.9 Å²	44.9	35%	0.346	20%	0.204	S	C	.	.	H	α-helix	trans	-58	-45.4	-179.1	-173.9	-179.5	146	0	0	110.8	Y663 R669 A708 A711 A712	Y663-E665 VanDerWaalsContact C-N 3.29Å; Y663-E665 PolarHBondContact O-N 3.4Å; E665-R669 VanDerWaalsContact O-CB 3.22Å; E665-R669 WeakPolarHBondContact O-CB 3.49Å; E665-R669 PolarHBondContact O-N 3.37Å; E665-R669 IonicContact OE1-NH1 2.91Å; E665-A708 HydrophobicContact CB-CB 4.47Å; E665-A711 HydrophobicContact CG-CB 4.08Å; E665-A711 WeakPolarHBondContact OE2-CB 3.38Å; E665-A712 HydrophobicContact CG-CB 4.06Å; E665-A712 WeakPolarHBondContact O-CB 3.43Å
666	D	92.8	Very high	86.6	Confident	58 Å²	58	43.5 Å²	43.5	31%	0.31	20%	0.196	S	C	.	.	H	α-helix	trans	-67.9	-43.8	179.1	-70	-15.7	0	0	0	111.7	Y663 L664 R669 E670	Y663-D666 PolarHBondContact O-N 3.36Å; L664-D666 VanDerWaalsContact C-N 3.28Å; L664-D666 PolarHBondContact O-N 2.89Å; D666-R669 PolarHBondContact O-N 3.07Å; D666-R669 IonicContact OD1-CZ 3.52Å; D666-R669 VanDerWaalsContact OD1-CZ 3.3Å; D666-R669 IonicContact OD1-NH1 2.78Å; D666-R669 PolarHBondContact OD1-NH1 2.66Å; D666-R669 IonicContact OD1-NH2 3.94Å; D666-R669 PolarHBondContact OD1-NH2 3.13Å; D666-E670 WeakPolarHBondContact O-CB 3.34Å; D666-E670 WeakPolarHBondContact O-CG 3.45Å; D666-E670 PolarHBondContact O-N 3.23Å
667	E	94.3	Very high	87.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-43.4	179.6	-65.4	-176.7	111.5	0	0	111.7	V636 R652 Y663 L664 E670 R671	V636-E667 HydrophobicContact CB-CB 4.13Å; V636-E667 HydrophobicContact CG2-CB 3.77Å; R652-E667 VanDerWaalsContact CG-CD 3.43Å; R652-E667 HydrophobicContact CG-CG 3.68Å; R652-E667 WeakPolarHBondContact CG-OE1 3.27Å; R652-E667 PolarHBondContact N-OE1 3.37Å; Y663-E667 PolarHBondContact O-N 2.87Å; Y663-E667 VanDerWaalsContact O-N 3.17Å; L664-E667 PolarHBondContact O-N 3.34Å; E667-E670 PolarHBondContact O-N 3.39Å; E667-R671 WeakPolarHBondContact O-CG 3.34Å; E667-R671 PolarHBondContact O-N 3.43Å
668	F	96.6	Very high	88.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-43.6	173.5	-68	-39.7	0	0	0	111.5	L616 V618 V636 L664 E670 R671 I672 L688 A708 L709 A712	L616-F668 HydrophobicContact CD1-CD1 3.83Å; L616-F668 HydrophobicContact CD1-CE1 3.98Å; V618-F668 HydrophobicContact CG2-CE1 4.26Å; V636-F668 HydrophobicContact CG1-CD1 3.87Å; V636-F668 HydrophobicContact CG1-CE1 3.9Å; V636-F668 HydrophobicContact CG2-CE1 4.23Å; L664-F668 HydrophobicContact CB-CD2 4.02Å; L664-F668 HydrophobicContact CB-CE2 3.74Å; L664-F668 HydrophobicContact CB-CZ 4.43Å; L664-F668 HydrophobicContact CD1-CE2 4.19Å; L664-F668 HydrophobicContact CD1-CZ 4.43Å; L664-F668 HydrophobicContact CD2-CE1 4.25Å; L664-F668 HydrophobicContact CD2-CE2 3.88Å; L664-F668 HydrophobicContact CD2-CZ 3.69Å; L664-F668 HydrophobicContact CG-CE2 4.14Å; L664-F668 HydrophobicContact CG-CZ 4.4Å; L664-F668 WeakPolarHBondContact O-CB 3.25Å; L664-F668 WeakPolarHBondContact O-CD2 3.27Å; L664-F668 VanDerWaalsContact O-CG 3.24Å; L664-F668 WeakPolarHBondContact O-CG 3.39Å; L664-F668 PolarHBondContact O-N 3.06Å; F668-E670 VanDerWaalsContact C-N 3.33Å; F668-E670 PolarHBondContact O-N 3.07Å; F668-R671 PolarHBondContact O-N 2.89Å; F668-I672 VanDerWaalsContact O-CG1 3.23Å; F668-I672 WeakPolarHBondContact O-CG1 3.49Å; F668-I672 PolarHBondContact O-N 3.12Å; F668-L688 HydrophobicContact CE1-CD1 3.74Å; F668-L688 HydrophobicContact CZ-CD1 3.62Å; F668-A708 HydrophobicContact CD2-CB 4.42Å; F668-A708 HydrophobicContact CE2-CB 4.33Å; F668-L709 HydrophobicContact CB-CD1 3.86Å; F668-L709 HydrophobicContact CD1-CD1 4.02Å; F668-L709 VanDerWaalsContact CD2-CA 3.49Å; F668-L709 HydrophobicContact CD2-CB 3.73Å; F668-L709 HydrophobicContact CD2-CD1 3.9Å; F668-L709 HydrophobicContact CD2-CG 4.41Å; F668-L709 HydrophobicContact CE2-CB 3.75Å; F668-L709 HydrophobicContact CE2-CD1 4.41Å; F668-L709 HydrophobicContact CG-CB 4.41Å; F668-L709 HydrophobicContact CG-CD1 3.68Å; F668-L709 HydrophobicContact CZ-CB 4.46Å; F668-A712 HydrophobicContact CB-CB 3.75Å
669	R	96	Very high	89.4	Confident	48 Å²	48	42.9 Å²	42.9	18%	0.181	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-42	177.2	-172.9	171.8	65.5	-134.2	-4.7	111.6	E665 D666 R673 A712 C715 L716	E665-R669 VanDerWaalsContact O-CB 3.22Å; E665-R669 WeakPolarHBondContact O-CB 3.49Å; E665-R669 PolarHBondContact O-N 3.37Å; E665-R669 IonicContact OE1-NH1 2.91Å; D666-R669 PolarHBondContact O-N 3.07Å; D666-R669 IonicContact OD1-CZ 3.52Å; D666-R669 VanDerWaalsContact OD1-CZ 3.3Å; D666-R669 IonicContact OD1-NH1 2.78Å; D666-R669 PolarHBondContact OD1-NH1 2.66Å; D666-R669 IonicContact OD1-NH2 3.94Å; D666-R669 PolarHBondContact OD1-NH2 3.13Å; R669-R673 WeakPolarHBondContact O-CB 3.26Å; R669-R673 WeakPolarHBondContact O-CG 3.45Å; R669-R673 PolarHBondContact O-N 2.92Å; R669-A712 HydrophobicContact CB-CB 4.15Å; R669-C715 PolarHBondContact NH1-SG 2.84Å; R669-C715 VanDerWaalsContact NH1-SG 3.42Å; R669-L716 HydrophobicContact CG-CD2 3.86Å; R669-L716 HydrophobicContact CG-CG 4.15Å
670	E	95.2	Very high	90.5	Very high	41 Å²	41	44.7 Å²	44.7	19%	0.192	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-47.4	173.6	-78.3	-177	-173.6	0	0	111.6	S650 R652 D666 E667 F668 R673 A674 R874	S650-E670 WeakPolarHBondContact CB-OE2 3.4Å; S650-E670 WeakPolarHBondContact OG-CB 3.28Å; S650-E670 PolarHBondContact OG-OE2 3.2Å; R652-E670 IonicContact CZ-OE1 3.8Å; R652-E670 IonicContact NH1-OE1 2.81Å; R652-E670 IonicContact NH2-OE1 3.82Å; R652-E670 PolarHBondContact NH2-OE1 3.08Å; R652-E670 IonicContact NH2-OE2 2.81Å; D666-E670 WeakPolarHBondContact O-CB 3.34Å; D666-E670 WeakPolarHBondContact O-CG 3.45Å; D666-E670 PolarHBondContact O-N 3.23Å; E667-E670 PolarHBondContact O-N 3.39Å; F668-E670 VanDerWaalsContact C-N 3.33Å; F668-E670 PolarHBondContact O-N 3.07Å; E670-R673 PolarHBondContact O-N 2.94Å; E670-A674 WeakPolarHBondContact O-CB 3.19Å; E670-A674 PolarHBondContact O-N 3.13Å; E670-R874 IonicContact OE1-NH2 2.73Å; E670-R874 PolarHBondContact OE1-NH2 3.39Å; E670-R874 VanDerWaalsContact OE1-NH2 3.14Å; E670-R874 IonicContact OE2-NH2 3Å
671	R	96.3	Very high	91.6	Very high	12 Å²	12	49.8 Å²	49.8	5%	0.045	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-41.2	179.2	-67.3	-50.8	91.3	-162.4	4.8	112.7	L616 V636 A648 A649 S650 E667 F668 R673 A674 F675	L616-R671 HydrophobicContact CD2-CB 3.99Å; L616-R671 HydrophobicContact CD2-CG 4.22Å; V636-R671 HydrophobicContact CB-CG 4.46Å; V636-R671 HydrophobicContact CG1-CG 3.84Å; A648-R671 WeakPolarHBondContact O-CD 3.49Å; A648-R671 PolarHBondContact O-NH1 2.99Å; A649-R671 PolarHBondContact O-NH2 2.86Å; S650-R671 VanDerWaalsContact OG-CZ 3.27Å; S650-R671 PolarHBondContact OG-NE 2.85Å; S650-R671 PolarHBondContact OG-NH2 2.92Å; E667-R671 WeakPolarHBondContact O-CG 3.34Å; E667-R671 PolarHBondContact O-N 3.43Å; F668-R671 PolarHBondContact O-N 2.89Å; R671-R673 PolarHBondContact O-N 2.92Å; R671-A674 PolarHBondContact O-N 2.72Å; R671-F675 PolarHBondContact O-N 3.04Å
672	I	97.5	Very high	92.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-42.7	177.3	-63.7	161.4	0	0	0	110.5	L614 F668 F675 A676 P683 I686 L709 A712 L716 Y720	L614-I672 HydrophobicContact CD2-CB 4.49Å; L614-I672 HydrophobicContact CD2-CG1 3.79Å; F668-I672 VanDerWaalsContact O-CG1 3.23Å; F668-I672 WeakPolarHBondContact O-CG1 3.49Å; F668-I672 PolarHBondContact O-N 3.12Å; I672-F675 PolarHBondContact O-N 3.4Å; I672-A676 WeakPolarHBondContact O-CB 3.49Å; I672-A676 PolarHBondContact O-N 2.9Å; I672-P683 HydrophobicContact CG2-CG 4.4Å; I672-I686 HydrophobicContact CD1-CD1 4.33Å; I672-I686 HydrophobicContact CG1-CD1 4.46Å; I672-L709 HydrophobicContact CD1-CD1 4.44Å; I672-A712 HydrophobicContact CD1-CB 4.43Å; I672-L716 HydrophobicContact CB-CD1 3.78Å; I672-L716 HydrophobicContact CD1-CD1 4.3Å; I672-L716 HydrophobicContact CG2-CD1 3.31Å; I672-Y720 HydrophobicContact CG2-CE1 4.23Å
673	R	96.3	Very high	93.8	Very high	114 Å²	114	49.2 Å²	49.2	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-64.3	-42	174.4	-73.9	177.2	-180	163	1	112	R669 E670 R671 F675 A676 N677 L716	R669-R673 WeakPolarHBondContact O-CB 3.26Å; R669-R673 WeakPolarHBondContact O-CG 3.45Å; R669-R673 PolarHBondContact O-N 2.92Å; E670-R673 PolarHBondContact O-N 2.94Å; R671-R673 PolarHBondContact O-N 2.92Å; R673-F675 PolarHBondContact O-N 3.28Å; R673-A676 PolarHBondContact O-N 2.79Å; R673-A676 VanDerWaalsContact O-N 3.12Å; R673-N677 WeakPolarHBondContact O-CB 3.33Å; R673-N677 PolarHBondContact O-N 2.8Å; R673-N677 PolarHBondContact O-ND2 3.15Å; R673-N677 PolarHBondContact O-OD1 2.74Å; R673-L716 HydrophobicContact CG-CD2 3.71Å; R673-L716 VanDerWaalsContact NE-CD2 3.27Å
674	A	95.1	Very high	94.5	Very high	23 Å²	23	47.7 Å²	47.7	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-36.2	178.5	0	0	0	0	0	111.9	I640 E670 R671 P678	I640-A674 HydrophobicContact CG1-CB 4.5Å; I640-A674 WeakPolarHBondContact CG2-O 3.29Å; E670-A674 WeakPolarHBondContact O-CB 3.19Å; E670-A674 PolarHBondContact O-N 3.13Å; R671-A674 PolarHBondContact O-N 2.72Å; A674-P678 WeakPolarHBondContact O-CD 3.46Å; A674-P678 WeakPolarHBondContact O-CG 3.32Å
675	F	96.3	Very high	94.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-72.8	-45.6	170.2	-177.1	-80.7	0	0	0	112.2	D612 L614 V642 R671 I672 R673 P678 N679 P683	D612-F675 HydrophobicContact CB-CE1 4.08Å; D612-F675 HydrophobicContact CB-CZ 3.99Å; L614-F675 HydrophobicContact CD1-CB 4.21Å; L614-F675 HydrophobicContact CD1-CD2 4.19Å; L614-F675 HydrophobicContact CD1-CG 4.46Å; V642-F675 HydrophobicContact CG1-CZ 3.99Å; R671-F675 PolarHBondContact O-N 3.04Å; I672-F675 PolarHBondContact O-N 3.4Å; R673-F675 PolarHBondContact O-N 3.28Å; F675-P678 WeakPolarHBondContact O-CD 3.38Å; F675-N679 WeakPolarHBondContact O-CB 3.44Å; F675-N679 PolarHBondContact O-ND2 3.26Å; F675-P683 HydrophobicContact CB-CG 4.37Å; F675-P683 HydrophobicContact CD1-CB 4.38Å; F675-P683 HydrophobicContact CD1-CG 3.52Å; F675-P683 HydrophobicContact CE1-CB 4.31Å; F675-P683 HydrophobicContact CE1-CG 3.93Å; F675-P683 HydrophobicContact CG-CG 3.98Å
676	A	95.9	Very high	95.2	Very high	16 Å²	16	44.2 Å²	44.2	13%	0.132	24%	0.242	C	C	.	.	H	α-helix	trans	-68.9	-39.5	-171.1	0	0	0	0	0	113.7	I672 R673 N679 G680 R681 K682	I672-A676 WeakPolarHBondContact O-CB 3.49Å; I672-A676 PolarHBondContact O-N 2.9Å; R673-A676 PolarHBondContact O-N 2.79Å; R673-A676 VanDerWaalsContact O-N 3.12Å; A676-N679 PolarHBondContact O-N 2.95Å; A676-G680 WeakPolarHBondContact O-CA 3.39Å; A676-G680 PolarHBondContact O-N 3.49Å; A676-R681 WeakPolarHBondContact CA-O 3.27Å; A676-R681 PolarHBondContact O-N 2.88Å; A676-K682 HydrophobicContact CB-CG 4.33Å
677	N	93.9	Very high	95.5	Very high	128 Å²	128	41.5 Å²	41.5	68%	0.684	23%	0.227	S	C	*	.	H	α-helix	trans	-60.1	-53.4	-173.6	-68.4	-6	0	0	0	113.8	R673	R673-N677 WeakPolarHBondContact O-CB 3.33Å; R673-N677 PolarHBondContact O-N 2.8Å; R673-N677 PolarHBondContact O-ND2 3.15Å; R673-N677 PolarHBondContact O-OD1 2.74Å
678	P	91.9	Very high	95.7	Very high	85 Å²	85	41.5 Å²	41.5	55%	0.552	23%	0.228	S	C	*	.	H	α-helix	trans	-73.8	-25.7	179.9	28.7	-34.9	0	0	0	113.3	I640 A674 F675	I640-P678 HydrophobicContact CG2-CG 3.75Å; A674-P678 WeakPolarHBondContact O-CD 3.46Å; A674-P678 WeakPolarHBondContact O-CG 3.32Å; F675-P678 WeakPolarHBondContact O-CD 3.38Å
679	N	92.8	Very high	95.8	Very high	46 Å²	46	41.5 Å²	41.5	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-92.9	-9.1	-176.7	-60.7	-54.2	0	0	0	113.2	I640 V642 F675 A676 R681	I640-N679 PolarHBondContact O-ND2 3.02Å; V642-N679 HydrophobicContact CG1-CB 4.4Å; F675-N679 WeakPolarHBondContact O-CB 3.44Å; F675-N679 PolarHBondContact O-ND2 3.26Å; A676-N679 PolarHBondContact O-N 2.95Å; N679-R681 HydrophobicContact CB-CG 4.33Å; N679-R681 PolarHBondContact O-N 2.95Å; N679-R681 VanDerWaalsContact O-N 3.16Å
680	G	92.5	Very high	95.7	Very high	76 Å²	76	39.3 Å²	39.3	78%	0.784	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	6.4	-178	0	0	0	0	0	114.9	A676	A676-G680 WeakPolarHBondContact O-CA 3.39Å; A676-G680 PolarHBondContact O-N 3.49Å
681	R	92.4	Very high	95.6	Very high	128 Å²	128	38.4 Å²	38.4	48%	0.483	22%	0.216	S	C	.	.	S	Bend	trans	-147.7	142.3	-175.2	61.6	-164.2	175.8	178.2	7.8	112	D612 A676 N679	D612-R681 VanDerWaalsContact CG-CZ 3.48Å; D612-R681 IonicContact OD1-CZ 3.26Å; D612-R681 IonicContact OD1-NE 2.88Å; D612-R681 PolarHBondContact OD1-NE 3.2Å; D612-R681 IonicContact OD1-NH1 4Å; D612-R681 IonicContact OD1-NH2 3.72Å; D612-R681 PolarHBondContact OD1-NH2 2.97Å; D612-R681 WeakPolarHBondContact OD2-CD 3.28Å; D612-R681 IonicContact OD2-CZ 3.57Å; D612-R681 VanDerWaalsContact OD2-CZ 3.26Å; D612-R681 IonicContact OD2-NE 3.01Å; D612-R681 PolarHBondContact OD2-NE 2.73Å; D612-R681 IonicContact OD2-NH1 3.73Å; D612-R681 IonicContact OD2-NH2 3.3Å; A676-R681 WeakPolarHBondContact CA-O 3.27Å; A676-R681 PolarHBondContact O-N 2.88Å; N679-R681 HydrophobicContact CB-CG 4.33Å; N679-R681 PolarHBondContact O-N 2.95Å; N679-R681 VanDerWaalsContact O-N 3.16Å
682	K	95	Very high	95	Very high	75 Å²	75	40.2 Å²	40.2	33%	0.326	24%	0.238	S	C	.	.			trans	-73	148.5	176	-60.8	171.8	-167.7	168.4	0	109.5	A676 S684 D717 Y720	A676-K682 HydrophobicContact CB-CG 4.33Å; K682-S684 PolarHBondContact O-N 3.03Å; K682-D717 IonicContact NZ-OD2 2.73Å; K682-D717 PolarHBondContact NZ-OD2 2.89Å; K682-Y720 HydrophobicContact CB-CD2 4.42Å; K682-Y720 HydrophobicContact CB-CE2 3.83Å; K682-Y720 HydrophobicContact CD-CD1 4.38Å; K682-Y720 HydrophobicContact CD-CD2 4.17Å; K682-Y720 HydrophobicContact CD-CE2 4.36Å; K682-Y720 HydrophobicContact CD-CG 4.19Å
683	P	96.7	Very high	94.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	24%	0.238	C	C	.	.			trans	-55.1	133.1	174.9	-20.6	27.8	0	0	0	111.9	D612 L614 I672 F675 R685 I686 Y720	D612-P683 WeakPolarHBondContact O-CA 3.41Å; D612-P683 WeakPolarHBondContact O-CB 3.41Å; L614-P683 HydrophobicContact CB-CB 3.73Å; L614-P683 HydrophobicContact CB-CG 3.65Å; L614-P683 HydrophobicContact CD2-CG 3.96Å; L614-P683 HydrophobicContact CG-CG 4.4Å; I672-P683 HydrophobicContact CG2-CG 4.4Å; F675-P683 HydrophobicContact CB-CG 4.37Å; F675-P683 HydrophobicContact CD1-CB 4.38Å; F675-P683 HydrophobicContact CD1-CG 3.52Å; F675-P683 HydrophobicContact CE1-CB 4.31Å; F675-P683 HydrophobicContact CE1-CG 3.93Å; F675-P683 HydrophobicContact CG-CG 3.98Å; P683-R685 VanDerWaalsContact C-N 3.32Å; P683-I686 HydrophobicContact CB-CG1 4.47Å; P683-Y720 WeakPolarHBondContact CD-OH 3.37Å; P683-Y720 VanDerWaalsContact O-CE2 3.25Å; P683-Y720 WeakPolarHBondContact O-CE2 3.4Å; P683-Y720 PolarHBondContact O-OH 3.29Å
684	S	95.4	Very high	94	Very high	71 Å²	71	37.4 Å²	37.4	50%	0.497	24%	0.236	S	C	.	.	S	Bend	trans	-82.8	-19.4	172.4	-55.3	0	0	0	0	111.8	K611 D612 K682 G723	K611-S684 VanDerWaalsContact O-CB 3.31Å; K611-S684 WeakPolarHBondContact O-CB 3.04Å; D612-S684 PolarHBondContact O-N 2.57Å; K682-S684 PolarHBondContact O-N 3.03Å; S684-G723 PolarHBondContact O-N 3.28Å
685	R	97.3	Very high	93.5	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.9	-177.8	176.6	-179.1	-70.8	155.2	-13.9	110.6	T606 N607 K611 T613 L614 P683 I687 N794	T606-R685 PolarHBondContact O-NH1 3.24Å; N607-R685 PolarHBondContact O-NH1 2.93Å; K611-R685 VanDerWaalsContact NZ-NH2 3.16Å; T613-R685 WeakPolarHBondContact CA-O 3.43Å; T613-R685 HydrophobicContact CG2-CB 4.31Å; T613-R685 HydrophobicContact CG2-CG 3.96Å; L614-R685 PolarHBondContact N-O 3.1Å; P683-R685 VanDerWaalsContact C-N 3.32Å; R685-I687 HydrophobicContact CG-CG1 4.24Å; R685-N794 WeakPolarHBondContact CG-OD1 3.38Å; R685-N794 PolarHBondContact NE-OD1 2.95Å
686	I	98.5	Very high	92.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.6	171.4	-54.9	-179.4	0	0	0	109.6	L614 L616 I672 P683 L709 P722 G723 I724 T725	L614-I686 HydrophobicContact CB-CG1 4.39Å; L614-I686 CarbonylContact O-C 3.14Å; L614-I686 VanDerWaalsContact O-CA 3.31Å; L614-I686 WeakPolarHBondContact O-CA 3.44Å; L616-I686 HydrophobicContact CD1-CG2 3.74Å; L616-I686 HydrophobicContact CG-CG2 4.23Å; I672-I686 HydrophobicContact CD1-CD1 4.33Å; I672-I686 HydrophobicContact CG1-CD1 4.46Å; P683-I686 HydrophobicContact CB-CG1 4.47Å; I686-L709 HydrophobicContact CD1-CD1 4.09Å; I686-L709 HydrophobicContact CG2-CD2 4.13Å; I686-P722 HydrophobicContact CD1-CB 4.39Å; I686-P722 HydrophobicContact CD1-CG 3.69Å; I686-P722 HydrophobicContact CG1-CB 4.22Å; I686-P722 HydrophobicContact CG1-CG 4.05Å; I686-G723 PolarHBondContact N-O 3.02Å; I686-I724 HydrophobicContact CB-CG1 4.34Å; I686-I724 CarbonylContact O-C 3.6Å; I686-I724 WeakPolarHBondContact O-CA 3.44Å; I686-T725 PolarHBondContact O-N 2.8Å
687	I	98.7	Very high	92.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.1	171.9	-55.3	178.1	0	0	0	107.8	L608 T613 L614 V615 L616 R685 F689 F796 M801 I804	L608-I687 HydrophobicContact CD2-CD1 4.45Å; T613-I687 HydrophobicContact CG2-CD1 3.82Å; T613-I687 HydrophobicContact CG2-CG1 3.89Å; L614-I687 PolarHBondContact O-N 2.71Å; V615-I687 CarbonylContact C-O 3.45Å; V615-I687 WeakPolarHBondContact CA-O 3.4Å; L616-I687 PolarHBondContact N-O 2.63Å; R685-I687 HydrophobicContact CG-CG1 4.24Å; I687-F689 HydrophobicContact CG2-CD2 4.16Å; I687-F689 HydrophobicContact CG2-CE2 3.59Å; I687-F689 HydrophobicContact CG2-CZ 4.08Å; I687-F796 HydrophobicContact CD1-CE2 3.84Å; I687-F796 HydrophobicContact CD1-CZ 3.95Å; I687-F796 HydrophobicContact CG1-CE2 4.17Å; I687-M801 HydrophobicContact CG2-CE 4.49Å; I687-I804 HydrophobicContact CD1-CD1 4.06Å; I687-I804 HydrophobicContact CD1-CG2 4.31Å
688	L	98.5	Very high	92.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.2	-178.3	-173.1	161	0	0	0	110.3	L616 V618 F668 R690 L709 T725 Y726 V727	L616-L688 HydrophobicContact CB-CB 4.34Å; L616-L688 HydrophobicContact CB-CG 4.21Å; L616-L688 HydrophobicContact CD1-CD1 4.43Å; V618-L688 HydrophobicContact CG2-CD1 4.17Å; V618-L688 HydrophobicContact CG2-CD2 4.06Å; V618-L688 HydrophobicContact CG2-CG 4.03Å; F668-L688 HydrophobicContact CE1-CD1 3.74Å; F668-L688 HydrophobicContact CZ-CD1 3.62Å; L688-R690 HydrophobicContact CD2-CB 3.88Å; L688-L709 HydrophobicContact CD1-CD2 4.25Å; L688-T725 PolarHBondContact N-O 3.09Å; L688-Y726 HydrophobicContact CB-CD2 4.42Å; L688-Y726 HydrophobicContact CD1-CD2 4.15Å; L688-Y726 HydrophobicContact CD1-CE2 4.05Å; L688-Y726 HydrophobicContact CD2-CD2 3.76Å; L688-Y726 HydrophobicContact CD2-CE2 3.49Å; L688-Y726 VanDerWaalsContact CD2-CE2 3.49Å; L688-Y726 HydrophobicContact CD2-CG 4.42Å; L688-Y726 HydrophobicContact CG-CD2 4.33Å; L688-Y726 HydrophobicContact CG-CE2 4.34Å; L688-V727 PolarHBondContact O-N 3.43Å
689	F	98.5	Very high	92.1	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114	170.2	-68.1	-86.6	0	0	0	110.9	V615 L616 G617 V618 I687 V727 V729 Y787 M801 I804 L808 P822 V825	V615-F689 HydrophobicContact CG1-CD2 3.99Å; V615-F689 HydrophobicContact CG1-CE2 3.97Å; L616-F689 PolarHBondContact O-N 3.41Å; G617-F689 CarbonylContact C-O 3.58Å; G617-F689 WeakPolarHBondContact CA-O 3.13Å; V618-F689 PolarHBondContact N-O 3.34Å; I687-F689 HydrophobicContact CG2-CD2 4.16Å; I687-F689 HydrophobicContact CG2-CE2 3.59Å; I687-F689 HydrophobicContact CG2-CZ 4.08Å; F689-V727 CarbonylContact C-O 3.59Å; F689-V727 VanDerWaalsContact CA-O 3.27Å; F689-V727 WeakPolarHBondContact CA-O 3.3Å; F689-V727 HydrophobicContact CD1-CB 3.84Å; F689-V727 HydrophobicContact CD1-CG1 3.96Å; F689-V727 HydrophobicContact CE1-CB 4.04Å; F689-V727 HydrophobicContact CE1-CG1 3.98Å; F689-V727 HydrophobicContact CE1-CG2 4.31Å; F689-V729 HydrophobicContact CB-CG2 4.14Å; F689-V729 HydrophobicContact CD1-CG2 3.65Å; F689-V729 HydrophobicContact CG-CG2 4.37Å; F689-Y787 HydrophobicContact CD1-CD1 4.47Å; F689-Y787 HydrophobicContact CD1-CE1 4.41Å; F689-Y787 HydrophobicContact CE1-CD1 4.2Å; F689-Y787 HydrophobicContact CE1-CE1 4.17Å; F689-M801 HydrophobicContact CE1-CE 4.06Å; F689-M801 HydrophobicContact CZ-CE 3.66Å; F689-I804 HydrophobicContact CZ-CG2 4.39Å; F689-L808 HydrophobicContact CD2-CD1 4.41Å; F689-L808 HydrophobicContact CE2-CD1 3.5Å; F689-L808 HydrophobicContact CZ-CD1 3.98Å; F689-P822 HydrophobicContact CD1-CG 4.01Å; F689-P822 HydrophobicContact CE1-CG 4Å; F689-P822 HydrophobicContact CG-CG 4.34Å; F689-P822 HydrophobicContact CZ-CG 4.34Å; F689-V825 HydrophobicContact CB-CG2 3.37Å; F689-V825 HydrophobicContact CG-CG2 4.27Å
690	R	96	Very high	91.9	Very high	1 Å²	1	45 Å²	45	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.7	179.1	179.4	66.4	169.2	86.7	1.4	110.7	E659 L688 V693 E705 Y726 V727 V728 V729	E659-R690 PolarHBondContact O-NH2 3.41Å; E659-R690 IonicContact OE1-CZ 2.86Å; E659-R690 IonicContact OE1-NH1 3.36Å; E659-R690 PolarHBondContact OE1-NH1 3.07Å; E659-R690 IonicContact OE1-NH2 3.26Å; E659-R690 PolarHBondContact OE1-NH2 3.44Å; L688-R690 HydrophobicContact CD2-CB 3.88Å; R690-V693 HydrophobicContact CG-CG2 3.52Å; R690-E705 IonicContact CZ-OE1 3.29Å; R690-E705 IonicContact NE-OE1 3.25Å; R690-E705 PolarHBondContact NE-OE1 3.15Å; R690-E705 IonicContact NE-OE2 3.55Å; R690-E705 IonicContact NH2-OE1 2.9Å; R690-Y726 HydrophobicContact CB-CE1 4.19Å; R690-Y726 WeakPolarHBondContact CB-OH 3.37Å; R690-Y726 WeakPolarHBondContact CG-OH 3.37Å; R690-V727 PolarHBondContact N-O 3.4Å; R690-V728 HydrophobicContact CB-CG2 4.48Å; R690-V728 CarbonylContact O-C 3.56Å; R690-V728 WeakPolarHBondContact O-CA 3.41Å; R690-V729 PolarHBondContact O-N 2.83Å
691	D	92.5	Very high	91.7	Very high	22 Å²	22	41.5 Å²	41.5	12%	0.118	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	155	174.9	-158.9	-1.6	0	0	0	111.2	V618 V693 V825	V618-D691 PolarHBondContact O-N 2.72Å; D691-V693 PolarHBondContact O-N 2.93Å; D691-V693 VanDerWaalsContact O-N 3.08Å; D691-V825 HydrophobicContact CB-CG1 3.62Å
692	G	82.2	Confident	91.8	Very high	50 Å²	50	35.5 Å²	35.5	52%	0.515	21%	0.211	S	C	.	.	S	Bend	trans	78	-6.1	151.4	0	0	0	0	0	119.3	V729	G692-V729 PolarHBondContact N-O 2.9Å; G692-V729 VanDerWaalsContact N-O 3.14Å
693	V	88.1	Confident	91.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	22%	0.218	C	C	.	.			trans	-74.1	135	-178.5	-176	0	0	0	0	111.1	R690 D691 E697 F698 V701 V728 Q730	R690-V693 HydrophobicContact CG-CG2 3.52Å; D691-V693 PolarHBondContact O-N 2.93Å; D691-V693 VanDerWaalsContact O-N 3.08Å; V693-E697 HydrophobicContact CG1-CB 3.97Å; V693-F698 HydrophobicContact CB-CE1 4.48Å; V693-F698 HydrophobicContact CG1-CD1 3.9Å; V693-F698 HydrophobicContact CG1-CE1 4.29Å; V693-V701 HydrophobicContact CG1-CB 4.15Å; V693-V701 HydrophobicContact CG1-CG1 4.39Å; V693-V701 HydrophobicContact CG1-CG2 3.9Å; V693-V701 HydrophobicContact CG2-CG1 4.04Å; V693-V728 HydrophobicContact CB-CG1 4.04Å; V693-V728 HydrophobicContact CB-CG2 4.39Å; V693-Q730 PolarHBondContact O-NE2 3.15Å
694	S	85.6	Confident	91.3	Very high	55 Å²	55	41.2 Å²	41.2	39%	0.385	23%	0.233	S	C	.	.			trans	-79.8	150.6	177.2	76.3	0	0	0	0	112.2	G696 E697 F698	S694-G696 PolarHBondContact O-N 2.78Å; S694-G696 VanDerWaalsContact O-N 3.14Å; S694-E697 PolarHBondContact O-N 2.95Å; S694-E697 WeakPolarHBondContact OG-CG 3.35Å; S694-E697 PolarHBondContact OG-OE2 3.28Å; S694-F698 WeakPolarHBondContact O-CD1 3.48Å; S694-F698 WeakPolarHBondContact O-CE1 3.4Å; S694-F698 PolarHBondContact O-N 3.38Å
695	E	85.2	Confident	91.2	Very high	74 Å²	74	37.9 Å²	37.9	35%	0.346	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-56.5	-33	-177.5	-69.2	177.6	170.5	0	0	112.9	R218 E697 F698 K786 H788	R218-E695 IonicContact NH1-OE2 3.74Å; R218-E695 PolarHBondContact NH1-OE2 2.71Å; E695-E697 PolarHBondContact O-N 2.93Å; E695-F698 HydrophobicContact CB-CD2 4.45Å; E695-F698 HydrophobicContact CB-CE2 4.07Å; E695-F698 HydrophobicContact CB-CZ 4.14Å; E695-F698 HydrophobicContact CG-CE1 4.42Å; E695-F698 HydrophobicContact CG-CE2 3.74Å; E695-F698 HydrophobicContact CG-CZ 3.65Å; E695-F698 WeakPolarHBondContact O-CG 3.4Å; E695-F698 PolarHBondContact O-N 3.47Å; E695-K786 IonicContact OE1-NZ 3.92Å; E695-K786 PolarHBondContact OE1-NZ 3.1Å; E695-H788 IonicContact OE1-CE1 2.67Å; E695-H788 IonicContact OE1-NE2 2.81Å
696	G	82.9	Confident	91.1	Very high	80 Å²	80	37.6 Å²	37.6	83%	0.825	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-69.2	-16.6	177.5	0	0	0	0	0	114.5	S694	S694-G696 PolarHBondContact O-N 2.78Å; S694-G696 VanDerWaalsContact O-N 3.14Å
697	E	86.7	Confident	90.8	Very high	75 Å²	75	45.8 Å²	45.8	35%	0.35	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-104.3	-6.9	-177	-67.6	170.6	133.3	0	0	112.9	V693 S694 E695 K699 K700 V701	V693-E697 HydrophobicContact CG1-CB 3.97Å; S694-E697 PolarHBondContact O-N 2.95Å; S694-E697 WeakPolarHBondContact OG-CG 3.35Å; S694-E697 PolarHBondContact OG-OE2 3.28Å; E695-E697 PolarHBondContact O-N 2.93Å; E697-K699 PolarHBondContact O-N 3.26Å; E697-K700 PolarHBondContact O-N 3.46Å; E697-K700 VanDerWaalsContact O-N 3.09Å; E697-V701 HydrophobicContact CB-CG2 4.1Å; E697-V701 WeakPolarHBondContact O-CG2 3.07Å; E697-V701 PolarHBondContact O-N 3.29Å
698	F	89.7	Confident	90.7	Very high	11 Å²	11	46.6 Å²	46.6	5%	0.048	25%	0.246	C	C	.	.	H	α-helix	trans	-49.2	-52.1	-173.5	-75.7	-3.3	0	0	0	113.6	L20 V693 S694 E695 K700 L702 V728 H788 L790	L20-F698 HydrophobicContact CD1-CB 4.32Å; L20-F698 HydrophobicContact CD1-CD2 4.41Å; L20-F698 HydrophobicContact CD2-CB 4.48Å; V693-F698 HydrophobicContact CB-CE1 4.48Å; V693-F698 HydrophobicContact CG1-CD1 3.9Å; V693-F698 HydrophobicContact CG1-CE1 4.29Å; S694-F698 WeakPolarHBondContact O-CD1 3.48Å; S694-F698 WeakPolarHBondContact O-CE1 3.4Å; S694-F698 PolarHBondContact O-N 3.38Å; E695-F698 HydrophobicContact CB-CD2 4.45Å; E695-F698 HydrophobicContact CB-CE2 4.07Å; E695-F698 HydrophobicContact CB-CZ 4.14Å; E695-F698 HydrophobicContact CG-CE1 4.42Å; E695-F698 HydrophobicContact CG-CE2 3.74Å; E695-F698 HydrophobicContact CG-CZ 3.65Å; E695-F698 WeakPolarHBondContact O-CG 3.4Å; E695-F698 PolarHBondContact O-N 3.47Å; F698-K700 PolarHBondContact O-N 3.31Å; F698-L702 WeakPolarHBondContact O-CB 3.24Å; F698-L702 PolarHBondContact O-N 3.4Å; F698-V728 HydrophobicContact CD1-CG2 4.4Å; F698-V728 HydrophobicContact CE1-CB 4.24Å; F698-V728 HydrophobicContact CE1-CG1 3.89Å; F698-V728 HydrophobicContact CE1-CG2 4.23Å; F698-V728 HydrophobicContact CZ-CG1 4.36Å; F698-H788 HydrophobicContact CE2-CB 4.08Å; F698-H788 AromaticContact CE2-CE1 3.98Å; F698-H788 AromaticContact CE2-CG 3.72Å; F698-H788 AromaticContact CE2-ND1 3.66Å; F698-H788 HydrophobicContact CZ-CB 4.17Å; F698-H788 AromaticContact CZ-CD2 3.77Å; F698-H788 AromaticContact CZ-CG 3.8Å; F698-L790 HydrophobicContact CB-CD1 3.85Å; F698-L790 HydrophobicContact CB-CD2 4.31Å; F698-L790 HydrophobicContact CD1-CD1 4.14Å; F698-L790 HydrophobicContact CD2-CD1 4.36Å; F698-L790 HydrophobicContact CD2-CD2 3.58Å; F698-L790 HydrophobicContact CE2-CD2 3.96Å; F698-L790 HydrophobicContact CG-CD1 3.87Å; F698-L790 HydrophobicContact CG-CD2 3.96Å
699	K	89.8	Confident	90.6	Very high	109 Å²	109	46.5 Å²	46.5	47%	0.474	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-41	-177.7	-68.9	-170.8	-179.9	-170.1	0	112.3	L20 E697 R703	L20-K699 HydrophobicContact CD1-CG 4.46Å; L20-K699 HydrophobicContact CD2-CG 4.2Å; L20-K699 HydrophobicContact CG-CG 4.21Å; E697-K699 PolarHBondContact O-N 3.26Å; K699-R703 VanDerWaalsContact O-CB 3.32Å; K699-R703 WeakPolarHBondContact O-CB 3.46Å; K699-R703 PolarHBondContact O-N 3.09Å; K699-R703 VanDerWaalsContact O-N 3.15Å
700	K	88.1	Confident	90.4	Very high	107 Å²	107	48.2 Å²	48.2	47%	0.465	25%	0.253	S	S	.	.	H	α-helix	trans	-67	-54	-179	-178.9	-174.8	173.4	-172.3	0	110.2	E697 F698 R703 E704	E697-K700 PolarHBondContact O-N 3.46Å; E697-K700 VanDerWaalsContact O-N 3.09Å; F698-K700 PolarHBondContact O-N 3.31Å; K700-R703 PolarHBondContact O-N 3.28Å; K700-E704 WeakPolarHBondContact CE-OE1 3.33Å; K700-E704 WeakPolarHBondContact O-CG 3.38Å; K700-E704 PolarHBondContact O-N 3.24Å; K700-E704 VanDerWaalsContact O-N 3.09Å
701	V	88.8	Confident	90.4	Very high	4 Å²	4	49 Å²	49	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-46.8	-177.9	176.4	0	0	0	0	110.5	V693 E697 R703 E704 E705	V693-V701 HydrophobicContact CG1-CB 4.15Å; V693-V701 HydrophobicContact CG1-CG1 4.39Å; V693-V701 HydrophobicContact CG1-CG2 3.9Å; V693-V701 HydrophobicContact CG2-CG1 4.04Å; E697-V701 HydrophobicContact CB-CG2 4.1Å; E697-V701 WeakPolarHBondContact O-CG2 3.07Å; E697-V701 PolarHBondContact O-N 3.29Å; V701-R703 VanDerWaalsContact C-N 3.33Å; V701-R703 PolarHBondContact O-N 2.93Å; V701-E704 PolarHBondContact O-N 3.2Å; V701-E705 HydrophobicContact CG1-CG 3.83Å; V701-E705 WeakPolarHBondContact CG1-OE1 3.08Å; V701-E705 WeakPolarHBondContact O-CB 3.36Å; V701-E705 VanDerWaalsContact O-CG 3.3Å; V701-E705 WeakPolarHBondContact O-CG 3.45Å; V701-E705 PolarHBondContact O-N 2.84Å
702	L	92.9	Very high	90.6	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-54.6	-49	176.1	175.9	67.5	0	0	0	111.6	I17 L20 F698 E704 L706 Y726 L790	I17-L702 HydrophobicContact CG2-CD2 4.25Å; L20-L702 HydrophobicContact CD2-CD2 3.86Å; F698-L702 WeakPolarHBondContact O-CB 3.24Å; F698-L702 PolarHBondContact O-N 3.4Å; L702-E704 PolarHBondContact O-N 3.14Å; L702-L706 HydrophobicContact CD1-CB 4.28Å; L702-L706 HydrophobicContact CD1-CD2 4.26Å; L702-L706 WeakPolarHBondContact O-CB 3.4Å; L702-L706 PolarHBondContact O-N 3.22Å; L702-Y726 HydrophobicContact CD1-CD1 3.84Å; L702-Y726 HydrophobicContact CD1-CD2 4.07Å; L702-Y726 HydrophobicContact CD1-CE1 4.39Å; L702-Y726 HydrophobicContact CD1-CG 3.67Å; L702-L790 HydrophobicContact CB-CD1 4.39Å; L702-L790 HydrophobicContact CD1-CB 4.21Å; L702-L790 HydrophobicContact CD2-CB 4.07Å
703	R	91.4	Very high	91.4	Very high	124 Å²	124	45.7 Å²	45.7	47%	0.468	23%	0.23	S	C	.	.	H	α-helix	trans	-61.6	-44.9	-177	-172.9	-174.3	-59.5	133.1	0.4	111.8	K699 K700 V701 R707	K699-R703 VanDerWaalsContact O-CB 3.32Å; K699-R703 WeakPolarHBondContact O-CB 3.46Å; K699-R703 PolarHBondContact O-N 3.09Å; K699-R703 VanDerWaalsContact O-N 3.15Å; K700-R703 PolarHBondContact O-N 3.28Å; V701-R703 VanDerWaalsContact C-N 3.33Å; V701-R703 PolarHBondContact O-N 2.93Å; R703-R707 WeakPolarHBondContact O-CB 3.5Å; R703-R707 PolarHBondContact O-N 3.38Å
704	E	90.3	Very high	91.8	Very high	72 Å²	72	49 Å²	49	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-68.3	-51.8	-179.3	-70.1	170.3	175.2	0	0	111.1	T660 K700 V701 L702 R707 A708	T660-E704 WeakPolarHBondContact CB-OE2 3.4Å; T660-E704 HydrophobicContact CG2-CB 4.33Å; T660-E704 HydrophobicContact CG2-CG 4.5Å; T660-E704 WeakPolarHBondContact CG2-OE2 3.22Å; T660-E704 PolarHBondContact OG1-OE2 2.79Å; K700-E704 WeakPolarHBondContact CE-OE1 3.33Å; K700-E704 WeakPolarHBondContact O-CG 3.38Å; K700-E704 PolarHBondContact O-N 3.24Å; K700-E704 VanDerWaalsContact O-N 3.09Å; V701-E704 PolarHBondContact O-N 3.2Å; L702-E704 PolarHBondContact O-N 3.14Å; E704-R707 PolarHBondContact O-N 3.34Å; E704-A708 PolarHBondContact O-N 2.86Å; E704-A708 VanDerWaalsContact O-N 3.15Å
705	E	93.7	Very high	92.2	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-71.5	-40.1	-174.8	-57.7	-163.7	175.8	0	0	112.6	L664 R690 V701 R707 A708 L709 Y726	L664-E705 HydrophobicContact CD1-CB 3.8Å; L664-E705 HydrophobicContact CD1-CG 3.44Å; L664-E705 VanDerWaalsContact CD1-CG 3.44Å; R690-E705 IonicContact CZ-OE1 3.29Å; R690-E705 IonicContact NE-OE1 3.25Å; R690-E705 PolarHBondContact NE-OE1 3.15Å; R690-E705 IonicContact NE-OE2 3.55Å; R690-E705 IonicContact NH2-OE1 2.9Å; V701-E705 HydrophobicContact CG1-CG 3.83Å; V701-E705 WeakPolarHBondContact CG1-OE1 3.08Å; V701-E705 WeakPolarHBondContact O-CB 3.36Å; V701-E705 VanDerWaalsContact O-CG 3.3Å; V701-E705 WeakPolarHBondContact O-CG 3.45Å; V701-E705 PolarHBondContact O-N 2.84Å; E705-R707 VanDerWaalsContact C-N 3.33Å; E705-R707 PolarHBondContact O-N 3.22Å; E705-A708 PolarHBondContact O-N 2.9Å; E705-L709 PolarHBondContact O-N 3.06Å; E705-Y726 HydrophobicContact CB-CE2 4.02Å; E705-Y726 VanDerWaalsContact CD-OH 3.28Å; E705-Y726 WeakPolarHBondContact OE2-CE2 3.45Å; E705-Y726 PolarHBondContact OE2-OH 3.02Å
706	L	94.2	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-36.9	177.8	-175.1	59.9	0	0	0	111.6	I17 L702 L709 R710 I724 Y791	I17-L706 HydrophobicContact CD1-CD2 3.84Å; I17-L706 HydrophobicContact CD1-CG 4.42Å; L702-L706 HydrophobicContact CD1-CB 4.28Å; L702-L706 HydrophobicContact CD1-CD2 4.26Å; L702-L706 WeakPolarHBondContact O-CB 3.4Å; L702-L706 PolarHBondContact O-N 3.22Å; L706-L709 PolarHBondContact O-N 3.27Å; L706-R710 WeakPolarHBondContact O-CB 3.22Å; L706-R710 WeakPolarHBondContact O-CG 3.44Å; L706-R710 PolarHBondContact O-N 2.9Å; L706-I724 HydrophobicContact CD1-CB 4.31Å; L706-I724 HydrophobicContact CD1-CD1 3.95Å; L706-I724 HydrophobicContact CD1-CG2 3.71Å; L706-Y791 HydrophobicContact CD1-CD1 4.28Å; L706-Y791 HydrophobicContact CD1-CE1 4.46Å; L706-Y791 HydrophobicContact CD2-CD1 3.82Å; L706-Y791 HydrophobicContact CD2-CD2 3.74Å; L706-Y791 HydrophobicContact CD2-CE1 4.02Å; L706-Y791 HydrophobicContact CD2-CE2 3.92Å; L706-Y791 HydrophobicContact CD2-CG 3.7Å
707	R	94	Very high	93.1	Very high	172 Å²	172	47.8 Å²	47.8	65%	0.649	22%	0.219	S	C	*	.	H	α-helix	trans	-61.6	-46	173.6	-177.4	179.2	-179.3	173.5	1.8	110.9	R703 E704 E705 R710 A711	R703-R707 WeakPolarHBondContact O-CB 3.5Å; R703-R707 PolarHBondContact O-N 3.38Å; E704-R707 PolarHBondContact O-N 3.34Å; E705-R707 VanDerWaalsContact C-N 3.33Å; E705-R707 PolarHBondContact O-N 3.22Å; R707-R710 PolarHBondContact O-N 2.91Å; R707-A711 WeakPolarHBondContact O-CB 3.27Å; R707-A711 PolarHBondContact O-N 3.37Å
708	A	94.9	Very high	93.4	Very high	17 Å²	17	53 Å²	53	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-42.6	177.1	0	0	0	0	0	112.1	L664 E665 F668 E704 E705 A711 A712	L664-A708 HydrophobicContact CB-CB 3.64Å; L664-A708 HydrophobicContact CD1-CB 4.49Å; E665-A708 HydrophobicContact CB-CB 4.47Å; F668-A708 HydrophobicContact CD2-CB 4.42Å; F668-A708 HydrophobicContact CE2-CB 4.33Å; E704-A708 PolarHBondContact O-N 2.86Å; E704-A708 VanDerWaalsContact O-N 3.15Å; E705-A708 PolarHBondContact O-N 2.9Å; A708-A711 PolarHBondContact O-N 3.19Å; A708-A712 WeakPolarHBondContact O-CB 3.42Å; A708-A712 PolarHBondContact O-N 3.3Å
709	L	96.3	Very high	93.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-42.6	177.6	-178.5	57	0	0	0	112.4	L616 F668 I672 I686 L688 E705 L706 A712 C713 I724	L616-L709 HydrophobicContact CD1-CD1 4.4Å; F668-L709 HydrophobicContact CB-CD1 3.86Å; F668-L709 HydrophobicContact CD1-CD1 4.02Å; F668-L709 VanDerWaalsContact CD2-CA 3.49Å; F668-L709 HydrophobicContact CD2-CB 3.73Å; F668-L709 HydrophobicContact CD2-CD1 3.9Å; F668-L709 HydrophobicContact CD2-CG 4.41Å; F668-L709 HydrophobicContact CE2-CB 3.75Å; F668-L709 HydrophobicContact CE2-CD1 4.41Å; F668-L709 HydrophobicContact CG-CB 4.41Å; F668-L709 HydrophobicContact CG-CD1 3.68Å; F668-L709 HydrophobicContact CZ-CB 4.46Å; I672-L709 HydrophobicContact CD1-CD1 4.44Å; I686-L709 HydrophobicContact CD1-CD1 4.09Å; I686-L709 HydrophobicContact CG2-CD2 4.13Å; L688-L709 HydrophobicContact CD1-CD2 4.25Å; E705-L709 PolarHBondContact O-N 3.06Å; L706-L709 PolarHBondContact O-N 3.27Å; L709-A712 PolarHBondContact O-N 3.13Å; L709-C713 PolarHBondContact O-N 2.6Å; L709-C713 VanDerWaalsContact O-N 3.08Å; L709-C713 PolarHBondContact O-SG 3.17Å; L709-I724 HydrophobicContact CD2-CD1 3.85Å; L709-I724 HydrophobicContact CD2-CG1 4.11Å; L709-I724 HydrophobicContact CD2-CG2 3.79Å; L709-I724 HydrophobicContact CG-CD1 3.97Å
710	R	96.1	Very high	94	Very high	36 Å²	36	51.2 Å²	51.2	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-40.8	175.1	-74.8	176.9	171.3	-179.1	-2	112.1	L706 R707 C713 R714 I724 Y791	L706-R710 WeakPolarHBondContact O-CB 3.22Å; L706-R710 WeakPolarHBondContact O-CG 3.44Å; L706-R710 PolarHBondContact O-N 2.9Å; R707-R710 PolarHBondContact O-N 2.91Å; R710-C713 PolarHBondContact O-N 3.47Å; R710-R714 WeakPolarHBondContact O-CG 3.46Å; R710-R714 PolarHBondContact O-N 2.98Å; R710-I724 HydrophobicContact CG-CD1 4.04Å; R710-Y791 VanDerWaalsContact NH2-CZ 3.34Å; R710-Y791 PolarHBondContact NH2-OH 2.83Å
711	A	96.1	Very high	94.3	Very high	18 Å²	18	52.7 Å²	52.7	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-44.5	175	0	0	0	0	0	111.3	E665 R707 A708 C713 R714 C715	E665-A711 HydrophobicContact CG-CB 4.08Å; E665-A711 WeakPolarHBondContact OE2-CB 3.38Å; R707-A711 WeakPolarHBondContact O-CB 3.27Å; R707-A711 PolarHBondContact O-N 3.37Å; A708-A711 PolarHBondContact O-N 3.19Å; A711-C713 VanDerWaalsContact C-N 3.31Å; A711-C713 PolarHBondContact O-N 3.48Å; A711-R714 PolarHBondContact O-N 2.73Å; A711-R714 VanDerWaalsContact O-N 3.16Å; A711-C715 WeakPolarHBondContact O-CB 3.5Å; A711-C715 PolarHBondContact O-N 3.06Å
712	A	96.8	Very high	94.7	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-41.8	175.7	0	0	0	0	0	112.4	E665 F668 R669 I672 A708 L709 L716	E665-A712 HydrophobicContact CG-CB 4.06Å; E665-A712 WeakPolarHBondContact O-CB 3.43Å; F668-A712 HydrophobicContact CB-CB 3.75Å; R669-A712 HydrophobicContact CB-CB 4.15Å; I672-A712 HydrophobicContact CD1-CB 4.43Å; A708-A712 WeakPolarHBondContact O-CB 3.42Å; A708-A712 PolarHBondContact O-N 3.3Å; L709-A712 PolarHBondContact O-N 3.13Å; A712-L716 PolarHBondContact O-N 2.72Å
713	C	97.4	Very high	94.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-50.2	174.4	-64.5	0	0	0	0	111.4	L709 R710 A711 C715 L716 D717 Y720	L709-C713 PolarHBondContact O-N 2.6Å; L709-C713 VanDerWaalsContact O-N 3.08Å; L709-C713 PolarHBondContact O-SG 3.17Å; R710-C713 PolarHBondContact O-N 3.47Å; A711-C713 VanDerWaalsContact C-N 3.31Å; A711-C713 PolarHBondContact O-N 3.48Å; C713-C715 VanDerWaalsContact C-N 3.29Å; C713-C715 PolarHBondContact O-N 2.89Å; C713-L716 PolarHBondContact O-N 3.28Å; C713-L716 VanDerWaalsContact O-N 3.14Å; C713-D717 PolarHBondContact O-N 2.86Å; C713-Y720 HydrophobicContact CB-CD1 3.56Å; C713-Y720 HydrophobicContact CB-CE1 3.8Å; C713-Y720 HydrophobicContact CB-CG 4.48Å; C713-Y720 WeakPolarHBondContact O-CD1 3.44Å
714	R	96.2	Very high	95.3	Very high	70 Å²	70	48 Å²	48	26%	0.264	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-33.7	179.2	-77.7	-176.3	-59	-136.5	16.6	113.9	E14 R710 A711 L716 D717 K718 R721	E14-R714 IonicContact OE1-CZ 3.2Å; E14-R714 VanDerWaalsContact OE1-CZ 3.26Å; E14-R714 IonicContact OE1-NH1 2.8Å; E14-R714 PolarHBondContact OE1-NH1 2.68Å; E14-R714 IonicContact OE1-NH2 3.94Å; E14-R714 PolarHBondContact OE1-NH2 2.78Å; R710-R714 WeakPolarHBondContact O-CG 3.46Å; R710-R714 PolarHBondContact O-N 2.98Å; A711-R714 PolarHBondContact O-N 2.73Å; A711-R714 VanDerWaalsContact O-N 3.16Å; R714-L716 VanDerWaalsContact C-N 3.28Å; R714-L716 PolarHBondContact O-N 3.13Å; R714-D717 WeakPolarHBondContact CA-O 3.44Å; R714-D717 CarbonylContact O-C 3.52Å; R714-D717 PolarHBondContact O-N 2.99Å; R714-K718 PolarHBondContact O-N 2.94Å; R714-R721 VanDerWaalsContact CG-CZ 3.4Å
715	C	94.9	Very high	95.7	Very high	65 Å²	65	44.6 Å²	44.6	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-66	-31.9	177.4	-178.9	0	0	0	0	111.9	R669 A711 C713	R669-C715 PolarHBondContact NH1-SG 2.84Å; R669-C715 VanDerWaalsContact NH1-SG 3.42Å; A711-C715 WeakPolarHBondContact O-CB 3.5Å; A711-C715 PolarHBondContact O-N 3.06Å; C713-C715 VanDerWaalsContact C-N 3.29Å; C713-C715 PolarHBondContact O-N 2.89Å
716	L	93.5	Very high	95.9	Very high	44 Å²	44	44.6 Å²	44.6	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-76	-35	175.4	-66.5	171.1	0	0	0	112.4	R669 I672 R673 A712 C713 R714	R669-L716 HydrophobicContact CG-CD2 3.86Å; R669-L716 HydrophobicContact CG-CG 4.15Å; I672-L716 HydrophobicContact CB-CD1 3.78Å; I672-L716 HydrophobicContact CD1-CD1 4.3Å; I672-L716 HydrophobicContact CG2-CD1 3.31Å; R673-L716 HydrophobicContact CG-CD2 3.71Å; R673-L716 VanDerWaalsContact NE-CD2 3.27Å; A712-L716 PolarHBondContact O-N 2.72Å; C713-L716 PolarHBondContact O-N 3.28Å; C713-L716 VanDerWaalsContact O-N 3.14Å; R714-L716 VanDerWaalsContact C-N 3.28Å; R714-L716 PolarHBondContact O-N 3.13Å
717	D	93	Very high	96.1	Very high	74 Å²	74	44.6 Å²	44.6	40%	0.396	22%	0.224	S	C	.	.			trans	-166.7	126.8	179.4	173.2	-11.6	0	0	0	109.1	K682 C713 R714 G719 Y720	K682-D717 IonicContact NZ-OD2 2.73Å; K682-D717 PolarHBondContact NZ-OD2 2.89Å; C713-D717 PolarHBondContact O-N 2.86Å; R714-D717 WeakPolarHBondContact CA-O 3.44Å; R714-D717 CarbonylContact O-C 3.52Å; R714-D717 PolarHBondContact O-N 2.99Å; D717-G719 PolarHBondContact O-N 2.91Å; D717-G719 VanDerWaalsContact O-N 3.09Å; D717-G719 PolarHBondContact OD1-N 2.95Å; D717-Y720 WeakPolarHBondContact O-CB 3.3Å; D717-Y720 PolarHBondContact O-N 2.88Å
718	K	92.7	Very high	96.3	Very high	185 Å²	185	36.4 Å²	36.4	80%	0.804	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.5	-175.9	-69.5	-173.4	178.2	-178	0	112.6	R714 R721	R714-K718 PolarHBondContact O-N 2.94Å; K718-R721 VanDerWaalsContact O-CZ 3.27Å; K718-R721 PolarHBondContact O-NH1 3.29Å; K718-R721 PolarHBondContact O-NH2 3.35Å
719	G	94.8	Very high	96.4	Very high	58 Å²	58	35.6 Å²	35.6	60%	0.598	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-9.7	179.9	0	0	0	0	0	115.2	D717 R721	D717-G719 PolarHBondContact O-N 2.91Å; D717-G719 VanDerWaalsContact O-N 3.09Å; D717-G719 PolarHBondContact OD1-N 2.95Å; G719-R721 PolarHBondContact O-N 3.44Å
720	Y	97.1	Very high	96.3	Very high	24 Å²	24	36.8 Å²	36.8	9%	0.094	19%	0.192	C	C	.	.			trans	-73.4	113.2	-174.5	177.1	-126.8	0	0	0	111.8	I672 K682 P683 C713 D717 P722	I672-Y720 HydrophobicContact CG2-CE1 4.23Å; K682-Y720 HydrophobicContact CB-CD2 4.42Å; K682-Y720 HydrophobicContact CB-CE2 3.83Å; K682-Y720 HydrophobicContact CD-CD1 4.38Å; K682-Y720 HydrophobicContact CD-CD2 4.17Å; K682-Y720 HydrophobicContact CD-CE2 4.36Å; K682-Y720 HydrophobicContact CD-CG 4.19Å; P683-Y720 WeakPolarHBondContact CD-OH 3.37Å; P683-Y720 VanDerWaalsContact O-CE2 3.25Å; P683-Y720 WeakPolarHBondContact O-CE2 3.4Å; P683-Y720 PolarHBondContact O-OH 3.29Å; C713-Y720 HydrophobicContact CB-CD1 3.56Å; C713-Y720 HydrophobicContact CB-CE1 3.8Å; C713-Y720 HydrophobicContact CB-CG 4.48Å; C713-Y720 WeakPolarHBondContact O-CD1 3.44Å; D717-Y720 WeakPolarHBondContact O-CB 3.3Å; D717-Y720 PolarHBondContact O-N 2.88Å; Y720-P722 HydrophobicContact CE1-CG 4.03Å; Y720-P722 HydrophobicContact CE2-CB 3.94Å; Y720-P722 HydrophobicContact CE2-CG 3.94Å
721	R	96.4	Very high	96	Very high	139 Å²	139	38.2 Å²	38.2	53%	0.525	20%	0.199	S	C	.	.			trans	-135.1	74.8	-178.7	-62.3	-65.4	179.9	-68.8	-11.4	110.1	R714 K718 G719	R714-R721 VanDerWaalsContact CG-CZ 3.4Å; K718-R721 VanDerWaalsContact O-CZ 3.27Å; K718-R721 PolarHBondContact O-NH1 3.29Å; K718-R721 PolarHBondContact O-NH2 3.35Å; G719-R721 PolarHBondContact O-N 3.44Å
722	P	97.1	Very high	95.5	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.071	23%	0.234	C	C	.	.			trans	-67.5	153.6	176.4	32	-36.2	0	0	0	110.4	I686 Y720 I724	I686-P722 HydrophobicContact CD1-CB 4.39Å; I686-P722 HydrophobicContact CD1-CG 3.69Å; I686-P722 HydrophobicContact CG1-CB 4.22Å; I686-P722 HydrophobicContact CG1-CG 4.05Å; Y720-P722 HydrophobicContact CE1-CG 4.03Å; Y720-P722 HydrophobicContact CE2-CB 3.94Å; Y720-P722 HydrophobicContact CE2-CG 3.94Å; P722-I724 PolarHBondContact O-N 2.72Å
723	G	97.2	Very high	95.3	Very high	17 Å²	17	49.6 Å²	49.6	18%	0.175	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.3	171.9	0	0	0	0	0	110.8	S684 I686 N794	S684-G723 PolarHBondContact O-N 3.28Å; I686-G723 PolarHBondContact N-O 3.02Å; G723-N794 VanDerWaalsContact C-ND2 3.28Å; G723-N794 PolarHBondContact O-ND2 3.33Å
724	I	98.2	Very high	95.1	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.4	-178.3	-62.1	165.7	0	0	0	111	I686 L706 L709 R710 P722 D793	I686-I724 HydrophobicContact CB-CG1 4.34Å; I686-I724 CarbonylContact O-C 3.6Å; I686-I724 WeakPolarHBondContact O-CA 3.44Å; L706-I724 HydrophobicContact CD1-CB 4.31Å; L706-I724 HydrophobicContact CD1-CD1 3.95Å; L706-I724 HydrophobicContact CD1-CG2 3.71Å; L709-I724 HydrophobicContact CD2-CD1 3.85Å; L709-I724 HydrophobicContact CD2-CG1 4.11Å; L709-I724 HydrophobicContact CD2-CG2 3.79Å; L709-I724 HydrophobicContact CG-CD1 3.97Å; R710-I724 HydrophobicContact CG-CD1 4.04Å; P722-I724 PolarHBondContact O-N 2.72Å; I724-D793 PolarHBondContact N-OD2 3.34Å; I724-D793 PolarHBondContact O-N 2.95Å
725	T	98.6	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.1	165.4	-48.5	0	0	0	0	109.5	I686 L688 V727 V789 Y791 D792 N794 F796 M801	I686-T725 PolarHBondContact O-N 2.8Å; L688-T725 PolarHBondContact N-O 3.09Å; T725-V727 HydrophobicContact CG2-CG2 3.98Å; T725-V789 HydrophobicContact CG2-CG1 4.09Å; T725-Y791 CarbonylContact C-O 3.45Å; T725-Y791 WeakPolarHBondContact CA-O 3.31Å; T725-D792 WeakPolarHBondContact CB-OD1 3.47Å; T725-D792 HydrophobicContact CG2-CB 4.08Å; T725-D792 WeakPolarHBondContact CG2-OD1 3.38Å; T725-D792 PolarHBondContact OG1-OD1 2.89Å; T725-N794 PolarHBondContact OG1-ND2 3.09Å; T725-F796 HydrophobicContact CG2-CD2 4.11Å; T725-F796 WeakPolarHBondContact OG1-CD2 3.42Å; T725-F796 WeakPolarHBondContact OG1-CE2 3.45Å; T725-M801 HydrophobicContact CG2-SD 4.09Å
726	Y	98.1	Very high	95.3	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117	-179.1	-168.5	-75.8	0	0	0	110.5	L688 R690 L702 E705 V728 L790 Y791	L688-Y726 HydrophobicContact CB-CD2 4.42Å; L688-Y726 HydrophobicContact CD1-CD2 4.15Å; L688-Y726 HydrophobicContact CD1-CE2 4.05Å; L688-Y726 HydrophobicContact CD2-CD2 3.76Å; L688-Y726 HydrophobicContact CD2-CE2 3.49Å; L688-Y726 VanDerWaalsContact CD2-CE2 3.49Å; L688-Y726 HydrophobicContact CD2-CG 4.42Å; L688-Y726 HydrophobicContact CG-CD2 4.33Å; L688-Y726 HydrophobicContact CG-CE2 4.34Å; R690-Y726 HydrophobicContact CB-CE1 4.19Å; R690-Y726 WeakPolarHBondContact CB-OH 3.37Å; R690-Y726 WeakPolarHBondContact CG-OH 3.37Å; L702-Y726 HydrophobicContact CD1-CD1 3.84Å; L702-Y726 HydrophobicContact CD1-CD2 4.07Å; L702-Y726 HydrophobicContact CD1-CE1 4.39Å; L702-Y726 HydrophobicContact CD1-CG 3.67Å; E705-Y726 HydrophobicContact CB-CE2 4.02Å; E705-Y726 VanDerWaalsContact CD-OH 3.28Å; E705-Y726 WeakPolarHBondContact OE2-CE2 3.45Å; E705-Y726 PolarHBondContact OE2-OH 3.02Å; Y726-V728 HydrophobicContact CD1-CG2 4.44Å; Y726-V728 HydrophobicContact CE1-CG2 3.77Å; Y726-L790 HydrophobicContact CD1-CB 4.11Å; Y726-L790 HydrophobicContact CD1-CD1 4.13Å; Y726-L790 HydrophobicContact CD1-CG 4.3Å; Y726-L790 HydrophobicContact CE1-CD1 4.04Å; Y726-L790 PolarHBondContact O-N 3.14Å; Y726-Y791 PolarHBondContact N-O 3.19Å
727	V	98.5	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.8	-174.9	-170.1	0	0	0	0	110.2	L688 F689 R690 T725 Y787 H788 V789 M801	L688-V727 PolarHBondContact O-N 3.43Å; F689-V727 CarbonylContact C-O 3.59Å; F689-V727 VanDerWaalsContact CA-O 3.27Å; F689-V727 WeakPolarHBondContact CA-O 3.3Å; F689-V727 HydrophobicContact CD1-CB 3.84Å; F689-V727 HydrophobicContact CD1-CG1 3.96Å; F689-V727 HydrophobicContact CE1-CB 4.04Å; F689-V727 HydrophobicContact CE1-CG1 3.98Å; F689-V727 HydrophobicContact CE1-CG2 4.31Å; R690-V727 PolarHBondContact N-O 3.4Å; T725-V727 HydrophobicContact CG2-CG2 3.98Å; V727-Y787 HydrophobicContact CG1-CD1 4.06Å; V727-H788 CarbonylContact C-O 3.58Å; V727-H788 VanDerWaalsContact CA-O 3.31Å; V727-H788 WeakPolarHBondContact CA-O 3.47Å; V727-V789 HydrophobicContact CG2-CG2 4.31Å; V727-M801 HydrophobicContact CG2-CE 4.18Å; V727-M801 HydrophobicContact CG2-SD 3.87Å
728	V	97.5	Very high	95.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	133.8	168.9	176.2	0	0	0	0	109.6	R690 V693 F698 Y726 Q730 Y787 H788 L790	R690-V728 HydrophobicContact CB-CG2 4.48Å; R690-V728 CarbonylContact O-C 3.56Å; R690-V728 WeakPolarHBondContact O-CA 3.41Å; V693-V728 HydrophobicContact CB-CG1 4.04Å; V693-V728 HydrophobicContact CB-CG2 4.39Å; F698-V728 HydrophobicContact CD1-CG2 4.4Å; F698-V728 HydrophobicContact CE1-CB 4.24Å; F698-V728 HydrophobicContact CE1-CG1 3.89Å; F698-V728 HydrophobicContact CE1-CG2 4.23Å; F698-V728 HydrophobicContact CZ-CG1 4.36Å; Y726-V728 HydrophobicContact CD1-CG2 4.44Å; Y726-V728 HydrophobicContact CE1-CG2 3.77Å; V728-Q730 HydrophobicContact CG1-CG 4.07Å; V728-Y787 CarbonylContact O-C 3.58Å; V728-Y787 WeakPolarHBondContact O-CA 3.43Å; V728-H788 HydrophobicContact CB-CB 4.34Å; V728-H788 PolarHBondContact N-O 3.16Å; V728-H788 PolarHBondContact O-N 3.15Å; V728-L790 HydrophobicContact CG2-CD1 3.51Å; V728-L790 HydrophobicContact CG2-CG 4.04Å
729	V	98	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121	175.8	-171.6	0	0	0	0	109.1	F689 R690 G692 A785 Y787 I821 V825	F689-V729 HydrophobicContact CB-CG2 4.14Å; F689-V729 HydrophobicContact CD1-CG2 3.65Å; F689-V729 HydrophobicContact CG-CG2 4.37Å; R690-V729 PolarHBondContact O-N 2.83Å; G692-V729 PolarHBondContact N-O 2.9Å; G692-V729 VanDerWaalsContact N-O 3.14Å; V729-A785 HydrophobicContact CG1-CB 4.21Å; V729-Y787 HydrophobicContact CB-CE1 4.49Å; V729-Y787 HydrophobicContact CG1-CD1 4.42Å; V729-Y787 HydrophobicContact CG1-CE1 3.99Å; V729-Y787 HydrophobicContact CG2-CD1 3.81Å; V729-Y787 HydrophobicContact CG2-CE1 3.74Å; V729-I821 HydrophobicContact CG1-CB 4.23Å; V729-I821 HydrophobicContact CG1-CG2 3.67Å; V729-V825 HydrophobicContact CG2-CG2 4.36Å
730	Q	94.9	Very high	96.1	Very high	26 Å²	26	36.7 Å²	36.7	12%	0.121	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	106.5	177.7	-67.1	177.1	-21.2	0	0	109.8	V693 V728 H733 K786	V693-Q730 PolarHBondContact O-NE2 3.15Å; V728-Q730 HydrophobicContact CG1-CG 4.07Å; Q730-H733 PolarHBondContact O-CD2 3.39Å; Q730-H733 PolarHBondContact O-NE2 2.95Å; Q730-K786 HydrophobicContact CB-CB 4.31Å; Q730-K786 PolarHBondContact N-O 3.05Å; Q730-K786 PolarHBondContact O-N 2.81Å
731	K	89.5	Confident	96.1	Very high	65 Å²	65	39.5 Å²	39.5	28%	0.283	18%	0.175	S	C	.	.			trans	-87.3	-24.8	173.5	-175.5	174.7	174.8	173.4	0	113.3	H733 S820 I821 Y826	K731-H733 PolarHBondContact O-N 3.05Å; K731-S820 VanDerWaalsContact CE-OG 3.24Å; K731-S820 WeakPolarHBondContact CE-OG 3.44Å; K731-S820 PolarHBondContact NZ-OG 2.91Å; K731-I821 HydrophobicContact CB-CG2 4.19Å; K731-I821 HydrophobicContact CD-CG2 4.18Å; K731-Y826 PolarHBondContact NZ-OH 3.36Å; K731-Y826 VanDerWaalsContact NZ-OH 3.1Å
732	R	85.8	Confident	96	Very high	231 Å²	231	36.9 Å²	36.9	87%	0.872	17%	0.171	S	C	*	.	S	Bend	trans	-98.9	83.3	-173.5	-63.3	-176.7	-172.1	167.1	6.3	110.9
733	H	91.7	Very high	96	Very high	27 Å²	27	40.8 Å²	40.8	13%	0.125	20%	0.199	C	C	.	.			trans	-143.6	-179.7	172.7	60.2	69.9	0	0	0	112.3	Q730 K731 A735 R736 Y771 P784	Q730-H733 PolarHBondContact O-CD2 3.39Å; Q730-H733 PolarHBondContact O-NE2 2.95Å; K731-H733 PolarHBondContact O-N 3.05Å; H733-A735 PolarHBondContact ND1-N 3.48Å; H733-R736 PolarHBondContact O-NH1 3.42Å; H733-R736 PolarHBondContact O-NH2 3.13Å; H733-R736 VanDerWaalsContact O-NH2 3.09Å; H733-Y771 AromaticContact CE1-CD1 3.91Å; H733-Y771 AromaticContact CE1-CE1 3.65Å; H733-Y771 AromaticContact NE2-CD1 3.98Å; H733-Y771 AromaticContact NE2-CE1 3.81Å; H733-P784 PolarHBondContact CE1-O 3.16Å; H733-P784 PolarHBondContact NE2-O 2.85Å
734	H	94.3	Very high	95.9	Very high	58 Å²	58	43.8 Å²	43.8	27%	0.269	21%	0.211	S	C	.	.			trans	-103.2	-7.7	-172.3	-70.8	-81.4	0	0	0	114.9	N38 F214 N228 D230 R736	N38-H734 PolarHBondContact ND2-O 3.44Å; F214-H734 HydrophobicContact CD1-CB 3.6Å; F214-H734 AromaticContact CD1-CD2 3.75Å; F214-H734 AromaticContact CD1-CG 3.36Å; F214-H734 AromaticContact CD1-ND1 3.64Å; F214-H734 AromaticContact CD2-CD2 3.8Å; F214-H734 AromaticContact CD2-CE1 3.66Å; F214-H734 AromaticContact CD2-NE2 3.54Å; F214-H734 HydrophobicContact CE1-CB 3.44Å; F214-H734 VanDerWaalsContact CE1-CB 3.44Å; F214-H734 AromaticContact CE1-CD2 3.39Å; F214-H734 WeakPolarHBondContact CE1-CD2 3.39Å; F214-H734 AromaticContact CE1-CG 3.34Å; F214-H734 AromaticContact CE2-CD2 3.42Å; F214-H734 VanDerWaalsContact CE2-CD2 3.42Å; F214-H734 WeakPolarHBondContact CE2-CD2 3.29Å; F214-H734 AromaticContact CE2-NE2 3.45Å; F214-H734 WeakPolarHBondContact CE2-NE2 3.27Å; F214-H734 HydrophobicContact CG-CB 4.45Å; F214-H734 AromaticContact CG-CD2 3.94Å; F214-H734 AromaticContact CG-CE1 3.68Å; F214-H734 AromaticContact CG-CG 3.76Å; F214-H734 AromaticContact CG-ND1 3.62Å; F214-H734 AromaticContact CG-NE2 3.93Å; F214-H734 HydrophobicContact CZ-CB 4.17Å; F214-H734 AromaticContact CZ-CD2 3.2Å; F214-H734 WeakPolarHBondContact CZ-CD2 3.33Å; F214-H734 AromaticContact CZ-CG 3.7Å; F214-H734 AromaticContact CZ-NE2 3.78Å; N228-H734 WeakPolarHBondContact OD1-CB 3.48Å; D230-H734 HydrophobicContact CB-CB 3.93Å; D230-H734 IonicContact OD2-ND1 2.64Å; D230-H734 PolarHBondContact OD2-ND1 2.9Å; H734-R736 PolarHBondContact O-N 2.97Å
735	A	96.8	Very high	95.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	22%	0.22	C	C	.	.			trans	-60.2	128.7	171.8	0	0	0	0	0	112.3	N38 F39 N228 H733 F737 Y771	N38-A735 WeakPolarHBondContact OD1-CA 3.44Å; F39-A735 HydrophobicContact CE2-CB 3.75Å; F39-A735 HydrophobicContact CZ-CB 4.17Å; N228-A735 PolarHBondContact OD1-N 3.33Å; H733-A735 PolarHBondContact ND1-N 3.48Å; A735-F737 HydrophobicContact CB-CE2 4.07Å; A735-F737 HydrophobicContact CB-CZ 4.29Å; A735-Y771 HydrophobicContact CB-CD1 4.41Å; A735-Y771 HydrophobicContact CB-CE1 3.65Å
736	R	97.6	Very high	95.7	Very high	6 Å²	6	46.9 Å²	46.9	2%	0.023	23%	0.232	C	C	.	.			trans	-136	151.9	176	-59.3	-65.9	176.3	-89.4	-17.7	108.9	S37 N38 D230 L390 H733 H734 T781	S37-R736 CarbonylContact C-O 3.55Å; S37-R736 WeakPolarHBondContact CA-O 3.46Å; N38-R736 HydrophobicContact CB-CB 4.38Å; N38-R736 PolarHBondContact N-O 3.42Å; N38-R736 PolarHBondContact OD1-N 2.88Å; N38-R736 PolarHBondContact OD1-O 3.17Å; D230-R736 IonicContact OD2-CZ 3.88Å; D230-R736 IonicContact OD2-NE 3.43Å; D230-R736 IonicContact OD2-NH2 2.85Å; D230-R736 PolarHBondContact OD2-NH2 3.38Å; L390-R736 HydrophobicContact CD1-CB 4.32Å; H733-R736 PolarHBondContact O-NH1 3.42Å; H733-R736 PolarHBondContact O-NH2 3.13Å; H733-R736 VanDerWaalsContact O-NH2 3.09Å; H734-R736 PolarHBondContact O-N 2.97Å; R736-T781 HydrophobicContact CB-CG2 4.25Å; R736-T781 HydrophobicContact CG-CG2 4.42Å
737	F	98.2	Very high	95.5	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.8	-176.5	-53.1	-95.4	0	0	0	109.8	V36 A735 I752 I758 V762 Y771 P784	V36-F737 CarbonylContact O-C 3.54Å; V36-F737 VanDerWaalsContact O-CA 3.31Å; V36-F737 WeakPolarHBondContact O-CA 3.1Å; A735-F737 HydrophobicContact CB-CE2 4.07Å; A735-F737 HydrophobicContact CB-CZ 4.29Å; F737-I752 HydrophobicContact CB-CD1 4.14Å; F737-I752 HydrophobicContact CB-CG2 4.19Å; F737-I758 HydrophobicContact CD1-CD1 4.32Å; F737-I758 HydrophobicContact CD1-CG1 4.35Å; F737-I758 HydrophobicContact CD2-CD1 4.37Å; F737-I758 HydrophobicContact CE1-CD1 4.26Å; F737-I758 HydrophobicContact CE1-CG1 4.11Å; F737-I758 HydrophobicContact CE1-CG2 4.28Å; F737-I758 HydrophobicContact CE2-CD1 4.3Å; F737-I758 HydrophobicContact CG-CD1 4.36Å; F737-I758 HydrophobicContact CZ-CD1 4.24Å; F737-I758 HydrophobicContact CZ-CG1 4.42Å; F737-V762 HydrophobicContact CE1-CG2 3.86Å; F737-V762 HydrophobicContact CZ-CG2 4.05Å; F737-Y771 HydrophobicContact CE2-CD1 4.34Å; F737-Y771 HydrophobicContact CE2-CG 4.21Å; F737-Y771 HydrophobicContact CZ-CD2 4.02Å; F737-Y771 HydrophobicContact CZ-CE2 4.38Å; F737-Y771 HydrophobicContact CZ-CG 4.09Å; F737-P784 HydrophobicContact CD2-CG 3.75Å; F737-P784 HydrophobicContact CE2-CG 4.06Å
738	M	97.4	Very high	95.1	Very high	39 Å²	39	59 Å²	59	19%	0.192	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	157.6	167.5	70.3	-179.7	-174.9	0	0	109.6	L35 V36 A386 P387 L390	L35-M738 CarbonylContact C-O 3.56Å; L35-M738 VanDerWaalsContact CA-O 3.31Å; L35-M738 WeakPolarHBondContact CA-O 3.4Å; V36-M738 HydrophobicContact CB-CE 3.62Å; V36-M738 HydrophobicContact CB-CG 3.91Å; V36-M738 HydrophobicContact CG1-CE 3.85Å; V36-M738 HydrophobicContact CG2-CE 3.83Å; V36-M738 PolarHBondContact N-O 2.86Å; V36-M738 PolarHBondContact O-N 2.91Å; A386-M738 HydrophobicContact CB-CB 3.99Å; P387-M738 HydrophobicContact CB-SD 3.97Å; P387-M738 HydrophobicContact CG-SD 4.17Å; L390-M738 HydrophobicContact CB-SD 4.34Å; L390-M738 HydrophobicContact CD2-CE 4.04Å; L390-M738 HydrophobicContact CD2-CG 3.85Å; L390-M738 HydrophobicContact CD2-SD 3.81Å
739	C	98.2	Very high	94.9	Very high	8 Å²	8	59.1 Å²	59.1	5%	0.054	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	138.1	169.4	-56.5	0	0	0	0	109.3	D741 A745	C739-D741 WeakPolarHBondContact CB-O 3.5Å; C739-A745 HydrophobicContact CB-CB 4.35Å
740	K	97.2	Very high	94.9	Very high	111 Å²	111	63.1 Å²	63.1	48%	0.483	32%	0.316	S	S	.	.	S	Bend	trans	-69.8	-39.3	170.3	-172.7	175.4	-179.8	175.9	0	110.6	Q34 V36 E421	Q34-K740 HydrophobicContact CB-CB 4Å; Q34-K740 HydrophobicContact CB-CD 4.17Å; Q34-K740 WeakPolarHBondContact O-CB 3.45Å; Q34-K740 PolarHBondContact O-N 2.97Å; V36-K740 HydrophobicContact CG2-CB 4.17Å; V36-K740 HydrophobicContact CG2-CG 4.33Å; E421-K740 WeakPolarHBondContact OE1-CE 3.32Å; E421-K740 IonicContact OE1-NZ 3.75Å; E421-K740 PolarHBondContact OE1-NZ 2.86Å; E421-K740 IonicContact OE2-NZ 3.84Å; E421-K740 PolarHBondContact OE2-NZ 3.49Å
741	D	97.1	Very high	95	Very high	82 Å²	82	61.9 Å²	61.9	44%	0.439	31%	0.31	S	S	.	.	S	Bend	trans	-93.5	113.8	169.4	179.6	-1.2	0	0	0	109.8	C739 S743 L744	C739-D741 WeakPolarHBondContact CB-O 3.5Å; D741-S743 PolarHBondContact O-N 3.13Å; D741-S743 VanDerWaalsContact OD1-CB 3.31Å; D741-S743 WeakPolarHBondContact OD1-CB 3.16Å; D741-S743 PolarHBondContact OD1-N 2.98Å; D741-S743 PolarHBondContact OD1-OG 2.99Å; D741-S743 PolarHBondContact OD2-OG 2.65Å; D741-L744 HydrophobicContact CB-CD1 4.34Å; D741-L744 HydrophobicContact CB-CG 4.45Å; D741-L744 PolarHBondContact O-N 3.29Å
742	D	94.2	Very high	95.4	Very high	84 Å²	84	59 Å²	59	45%	0.449	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-65.8	-20.8	-177.8	-158.5	50.9	0	0	0	112.4	L744 A745 R750	D742-L744 PolarHBondContact O-N 3.47Å; D742-A745 VanDerWaalsContact O-CB 3.23Å; D742-A745 WeakPolarHBondContact O-CB 3.47Å; D742-A745 PolarHBondContact O-N 3Å; D742-R750 IonicContact OD1-NH1 2.83Å; D742-R750 IonicContact OD2-NH1 3.98Å
743	S	96.2	Very high	96	Very high	94 Å²	94	48.7 Å²	48.7	66%	0.657	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-66	-24.1	177.4	76.8	0	0	0	0	113.2	D741	D741-S743 PolarHBondContact O-N 3.13Å; D741-S743 VanDerWaalsContact OD1-CB 3.31Å; D741-S743 WeakPolarHBondContact OD1-CB 3.16Å; D741-S743 PolarHBondContact OD1-N 2.98Å; D741-S743 PolarHBondContact OD1-OG 2.99Å; D741-S743 PolarHBondContact OD2-OG 2.65Å
744	L	96.6	Very high	96.3	Very high	80 Å²	80	47.6 Å²	47.6	42%	0.419	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-88	-8.4	175.9	-59.7	178	0	0	0	112.7	I33 D741 D742	I33-L744 HydrophobicContact CD1-CB 4.02Å; I33-L744 HydrophobicContact CD1-CD1 3.9Å; I33-L744 HydrophobicContact CG1-CD1 3.81Å; D741-L744 HydrophobicContact CB-CD1 4.34Å; D741-L744 HydrophobicContact CB-CG 4.45Å; D741-L744 PolarHBondContact O-N 3.29Å; D742-L744 PolarHBondContact O-N 3.47Å
745	A	96.6	Very high	96.5	Very high	24 Å²	24	44.8 Å²	44.8	20%	0.198	24%	0.244	C	C	.	.			trans	-74.3	143	-179.6	0	0	0	0	0	110.9	C739 D742 R750 N751	C739-A745 HydrophobicContact CB-CB 4.35Å; D742-A745 VanDerWaalsContact O-CB 3.23Å; D742-A745 WeakPolarHBondContact O-CB 3.47Å; D742-A745 PolarHBondContact O-N 3Å; A745-R750 HydrophobicContact CB-CB 4.01Å; A745-N751 CarbonylContact C-O 3.54Å; A745-N751 WeakPolarHBondContact CA-O 3.34Å
746	V	95.8	Very high	96.6	Very high	44 Å²	44	44.8 Å²	44.8	27%	0.267	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-119	137.2	-173	-162.4	0	0	0	0	113.8	N447 N751 P753	N447-V746 WeakPolarHBondContact ND2-CB 3.33Å; N447-V746 WeakPolarHBondContact ND2-CG1 3.41Å; V746-N751 PolarHBondContact N-O 2.6Å; V746-N751 PolarHBondContact O-N 3.37Å; V746-P753 HydrophobicContact CG2-CB 4.02Å
747	G	92.7	Very high	96.7	Very high	51 Å²	51	44.5 Å²	44.5	53%	0.526	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-178.2	172.4	0	0	0	0	0	113.4	G749 R750	G747-G749 PolarHBondContact O-N 3.23Å; G747-G749 VanDerWaalsContact O-N 3.15Å; G747-R750 PolarHBondContact O-N 3.25Å
748	K	91.3	Very high	96.7	Very high	203 Å²	203	44.3 Å²	44.3	88%	0.883	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.7	-178.3	-66.6	-171.8	176.7	-172.9	0	113.6	R750	K748-R750 VanDerWaalsContact C-N 3.28Å
749	G	94	Very high	96.7	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.3	177	0	0	0	0	0	114.5	D385 A386 G747 N751	D385-G749 CarbonylContact C-O 3.52Å; D385-G749 VanDerWaalsContact CA-O 3.3Å; D385-G749 WeakPolarHBondContact CA-O 3.33Å; D385-G749 WeakPolarHBondContact CB-O 3.47Å; A386-G749 PolarHBondContact N-O 3.1Å; G747-G749 PolarHBondContact O-N 3.23Å; G747-G749 VanDerWaalsContact O-N 3.15Å; G749-N751 PolarHBondContact O-N 2.65Å
750	R	96.9	Very high	96.6	Very high	84 Å²	84	46.4 Å²	46.4	32%	0.317	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	50.4	-175.7	-59.7	-172	-65.9	174.5	-5.7	111.9	D385 A386 P387 D742 A745 G747 K748	D385-R750 IonicContact OD1-CZ 2.77Å; D385-R750 IonicContact OD1-NE 2.71Å; D385-R750 PolarHBondContact OD1-NE 3.14Å; D385-R750 IonicContact OD1-NH2 3.72Å; D385-R750 PolarHBondContact OD1-NH2 3.29Å; A386-R750 WeakPolarHBondContact CB-O 3.14Å; P387-R750 HydrophobicContact CG-CB 4.33Å; D742-R750 IonicContact OD1-NH1 2.83Å; D742-R750 IonicContact OD2-NH1 3.98Å; A745-R750 HydrophobicContact CB-CB 4.01Å; G747-R750 PolarHBondContact O-N 3.25Å; K748-R750 VanDerWaalsContact C-N 3.28Å
751	N	97.8	Very high	96.5	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-86.6	159.7	-173.9	-77.4	-69.3	0	0	0	111.6	A745 V746 G749 G777 G780 T781 S782	A745-N751 CarbonylContact C-O 3.54Å; A745-N751 WeakPolarHBondContact CA-O 3.34Å; V746-N751 PolarHBondContact N-O 2.6Å; V746-N751 PolarHBondContact O-N 3.37Å; G749-N751 PolarHBondContact O-N 2.65Å; N751-G777 PolarHBondContact ND2-O 3.17Å; N751-G780 PolarHBondContact ND2-O 3.02Å; N751-G780 PolarHBondContact OD1-O 2.81Å; N751-T781 WeakPolarHBondContact OD1-CA 3.42Å; N751-S782 WeakPolarHBondContact CB-OG 3.35Å; N751-S782 WeakPolarHBondContact OD1-CB 3.48Å; N751-S782 PolarHBondContact OD1-N 3.05Å; N751-S782 PolarHBondContact OD1-OG 2.9Å
752	I	98	Very high	96.5	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-58	146.1	163.7	68.5	-175.1	0	0	0	110.3	L35 F737 T756 C773 P784	L35-I752 HydrophobicContact CD2-CB 4.5Å; L35-I752 HydrophobicContact CD2-CG2 3.69Å; F737-I752 HydrophobicContact CB-CD1 4.14Å; F737-I752 HydrophobicContact CB-CG2 4.19Å; I752-T756 HydrophobicContact CB-CG2 4.35Å; I752-T756 HydrophobicContact CD1-CG2 3.94Å; I752-T756 HydrophobicContact CG1-CG2 4.45Å; I752-C773 HydrophobicContact CD1-CB 3.6Å; I752-C773 HydrophobicContact CG1-CB 3.93Å; I752-P784 HydrophobicContact CD1-CG 3.9Å
753	P	97.9	Very high	96.5	Very high	15 Å²	15	37.2 Å²	37.2	10%	0.097	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-65.8	154.6	-178.5	24.9	-32.5	0	0	0	112.1	I33 V426 N447 V746 T756	I33-P753 HydrophobicContact CD1-CG 4.09Å; V426-P753 HydrophobicContact CG1-CB 4.37Å; V426-P753 HydrophobicContact CG1-CG 4.16Å; V426-P753 HydrophobicContact CG2-CG 3.64Å; N447-P753 WeakPolarHBondContact OD1-CA 3.37Å; N447-P753 WeakPolarHBondContact OD1-CB 3.12Å; V746-P753 HydrophobicContact CG2-CB 4.02Å; P753-T756 WeakPolarHBondContact CD-OG1 3.37Å; P753-T756 WeakPolarHBondContact CG-OG1 3.49Å; P753-T756 WeakPolarHBondContact O-CB 3.43Å; P753-T756 PolarHBondContact O-N 3.25Å; P753-T756 PolarHBondContact O-OG1 3.43Å
754	A	98.2	Very high	96.2	Very high	4 Å²	4	34 Å²	34	3%	0.033	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	139.1	172.3	0	0	0	0	0	110	N447 C773	N447-A754 VanDerWaalsContact C-CB 3.47Å; N447-A754 PolarHBondContact OD1-N 3.29Å; A754-C773 CarbonylContact C-O 3.54Å; A754-C773 VanDerWaalsContact CA-O 3.31Å; A754-C773 WeakPolarHBondContact CA-O 3.32Å
755	G	98.4	Very high	95.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-3	-172.5	0	0	0	0	0	113.8	L427 V757 C773 Y806	L427-G755 PolarHBondContact N-O 2.96Å; G755-V757 PolarHBondContact O-N 3.06Å; G755-C773 PolarHBondContact N-O 2.88Å; G755-Y806 PolarHBondContact N-OH 3.11Å
756	T	98.8	Very high	95	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	119.6	175.5	-56.7	0	0	0	0	110.7	I33 L35 R425 I752 P753 I758 C773	I33-T756 HydrophobicContact CG2-CG2 4.21Å; L35-T756 HydrophobicContact CD1-CG2 3.65Å; R425-T756 CarbonylContact O-C 3.55Å; R425-T756 VanDerWaalsContact O-CA 3.25Å; R425-T756 WeakPolarHBondContact O-CA 3.2Å; I752-T756 HydrophobicContact CB-CG2 4.35Å; I752-T756 HydrophobicContact CD1-CG2 3.94Å; I752-T756 HydrophobicContact CG1-CG2 4.45Å; P753-T756 WeakPolarHBondContact CD-OG1 3.37Å; P753-T756 WeakPolarHBondContact CG-OG1 3.49Å; P753-T756 WeakPolarHBondContact O-CB 3.43Å; P753-T756 PolarHBondContact O-N 3.25Å; P753-T756 PolarHBondContact O-OG1 3.43Å; T756-I758 HydrophobicContact CG2-CD1 4Å; T756-C773 PolarHBondContact O-N 3.39Å
757	V	98.8	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.2	174.1	68.9	0	0	0	0	110.6	G424 R425 L427 G755 F770 Y771 L772 Q802	G424-V757 VanDerWaalsContact CA-O 3.24Å; G424-V757 WeakPolarHBondContact CA-O 3.3Å; R425-V757 HydrophobicContact CB-CG1 3.85Å; R425-V757 PolarHBondContact N-O 3.03Å; R425-V757 WeakPolarHBondContact O-CG1 3.46Å; R425-V757 PolarHBondContact O-N 3.31Å; L427-V757 HydrophobicContact CD1-CB 4.37Å; L427-V757 HydrophobicContact CD1-CG1 4.38Å; L427-V757 HydrophobicContact CD2-CG1 4.08Å; L427-V757 HydrophobicContact CG-CB 4.42Å; L427-V757 HydrophobicContact CG-CG1 4.03Å; G755-V757 PolarHBondContact O-N 3.06Å; V757-F770 HydrophobicContact CG2-CB 4.29Å; V757-F770 HydrophobicContact CG2-CD2 4.08Å; V757-Y771 CarbonylContact C-O 3.54Å; V757-Y771 VanDerWaalsContact CA-O 3.26Å; V757-Y771 WeakPolarHBondContact CA-O 3.38Å; V757-Y771 WeakPolarHBondContact CG2-O 3.25Å; V757-L772 HydrophobicContact CB-CD1 4.39Å; V757-Q802 HydrophobicContact CG2-CB 4.42Å; V757-Q802 HydrophobicContact CG2-CG 3.89Å
758	I	98.7	Very high	94.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	107.9	174.5	-58	94.3	0	0	0	107.6	L35 V422 F737 T756 V762 F770 Y771	L35-I758 HydrophobicContact CD1-CD1 3.83Å; L35-I758 HydrophobicContact CD1-CG1 3.62Å; V422-I758 HydrophobicContact CG1-CG2 3.35Å; F737-I758 HydrophobicContact CD1-CD1 4.32Å; F737-I758 HydrophobicContact CD1-CG1 4.35Å; F737-I758 HydrophobicContact CD2-CD1 4.37Å; F737-I758 HydrophobicContact CE1-CD1 4.26Å; F737-I758 HydrophobicContact CE1-CG1 4.11Å; F737-I758 HydrophobicContact CE1-CG2 4.28Å; F737-I758 HydrophobicContact CE2-CD1 4.3Å; F737-I758 HydrophobicContact CG-CD1 4.36Å; F737-I758 HydrophobicContact CZ-CD1 4.24Å; F737-I758 HydrophobicContact CZ-CG1 4.42Å; T756-I758 HydrophobicContact CG2-CD1 4Å; I758-V762 HydrophobicContact CG2-CG2 3.93Å; I758-F770 CarbonylContact O-C 3.18Å; I758-F770 WeakPolarHBondContact O-CA 3.34Å; I758-Y771 PolarHBondContact N-O 2.94Å; I758-Y771 PolarHBondContact O-N 3.2Å
759	D	97.9	Very high	95.1	Very high	3 Å²	3	21 Å²	21	2%	0.016	11%	0.107	C	C	.	.			trans	-115.9	5.8	177.6	59.6	-7.1	0	0	0	113.4	Y26 G27 R425 T763 F770 Q802	Y26-D759 WeakPolarHBondContact CD1-O 3.13Å; Y26-D759 WeakPolarHBondContact CE1-O 3.16Å; G27-D759 PolarHBondContact N-OD2 3.13Å; R425-D759 IonicContact CZ-OD2 3.28Å; R425-D759 IonicContact NH2-OD1 3.11Å; R425-D759 IonicContact NH2-OD2 2.83Å; R425-D759 PolarHBondContact NH2-OD2 3.43Å; D759-T763 VanDerWaalsContact C-OG1 3.25Å; D759-T763 PolarHBondContact O-OG1 3.45Å; D759-F770 HydrophobicContact CB-CB 3.87Å; D759-Q802 PolarHBondContact OD2-NE2 3.25Å
760	R	96.4	Very high	95.3	Very high	89 Å²	89	20.9 Å²	20.9	34%	0.336	11%	0.105	S	C	.	.	S	Bend	trans	-125	166.4	-179.1	-67.4	179.6	-178.7	-85.8	7.8	112.8	Y26 E221 V422 P423 V762 T763	Y26-R760 HydrophobicContact CD1-CG 3.49Å; Y26-R760 VanDerWaalsContact CD1-CG 3.49Å; Y26-R760 HydrophobicContact CE1-CG 3.76Å; Y26-R760 HydrophobicContact CG-CG 4.28Å; Y26-R760 VanDerWaalsContact CG-CZ 3.43Å; E221-R760 IonicContact OE1-NH1 2.72Å; V422-R760 WeakPolarHBondContact CG1-O 3.35Å; P423-R760 HydrophobicContact CG-CB 4.13Å; R760-V762 PolarHBondContact O-N 2.84Å; R760-T763 PolarHBondContact N-OG1 2.76Å
761	R	94.7	Very high	95.4	Very high	76 Å²	76	17.4 Å²	17.4	29%	0.287	9%	0.092	S	C	.	.	S	Bend	trans	61.8	-63.5	176.5	-59	-67.9	-67	-108.3	-2.7	115	E41 G220 E221 V422	E41-R761 IonicContact OE1-NH2 3.07Å; G220-R761 WeakPolarHBondContact CA-O 3.4Å; E221-R761 PolarHBondContact N-O 3.06Å; E221-R761 WeakPolarHBondContact OE2-CA 3.4Å; E221-R761 PolarHBondContact OE2-N 2.94Å; V422-R761 HydrophobicContact CG1-CB 4.11Å; V422-R761 HydrophobicContact CG1-CG 4.47Å; V422-R761 HydrophobicContact CG2-CB 4.2Å
762	V	95.9	Very high	95.4	Very high	7 Å²	7	17.3 Å²	17.3	4%	0.042	9%	0.092	C	C	.	.	S	Bend	trans	-96.9	-2.4	-173.7	-62	0	0	0	0	113.8	F39 M226 V420 V422 F737 I758 R760 Y771	F39-V762 HydrophobicContact CB-CG1 4.16Å; F39-V762 HydrophobicContact CD1-CG1 4.33Å; F39-V762 HydrophobicContact CD2-CB 4.29Å; F39-V762 HydrophobicContact CD2-CG1 3.93Å; F39-V762 HydrophobicContact CE2-CB 4.25Å; F39-V762 HydrophobicContact CE2-CG1 4.4Å; F39-V762 HydrophobicContact CG-CB 4.45Å; F39-V762 HydrophobicContact CG-CG1 3.9Å; F39-V762 HydrophobicContact CZ-CB 4.36Å; M226-V762 HydrophobicContact CE-CB 4.5Å; M226-V762 HydrophobicContact CE-CG1 4.29Å; M226-V762 HydrophobicContact SD-CG1 4.23Å; V420-V762 HydrophobicContact CG1-CG1 4.26Å; V422-V762 HydrophobicContact CG1-CG2 4.37Å; V422-V762 HydrophobicContact CG2-CG1 3.73Å; V422-V762 HydrophobicContact CG2-CG2 4.27Å; F737-V762 HydrophobicContact CE1-CG2 3.86Å; F737-V762 HydrophobicContact CZ-CG2 4.05Å; I758-V762 HydrophobicContact CG2-CG2 3.93Å; R760-V762 PolarHBondContact O-N 2.84Å; V762-Y771 HydrophobicContact CG2-CD2 4.41Å; V762-Y771 HydrophobicContact CG2-CE2 4.13Å
763	T	95.1	Very high	95.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.091	C	C	.	.	S	Bend	trans	-77.1	164.8	168.6	44.9	0	0	0	0	111.6	G220 E221 D759 R760 D769 Y771	G220-T763 CarbonylContact C-O 3.57Å; G220-T763 VanDerWaalsContact C-O 3.28Å; G220-T763 WeakPolarHBondContact CA-O 3.43Å; E221-T763 PolarHBondContact N-O 2.67Å; D759-T763 VanDerWaalsContact C-OG1 3.25Å; D759-T763 PolarHBondContact O-OG1 3.45Å; R760-T763 PolarHBondContact N-OG1 2.76Å; T763-D769 WeakPolarHBondContact CB-OD1 3.37Å; T763-Y771 HydrophobicContact CG2-CD2 4.23Å; T763-Y771 HydrophobicContact CG2-CE2 4.39Å
764	S	90.4	Very high	95.5	Very high	26 Å²	26	16.5 Å²	16.5	18%	0.182	9%	0.086	C	C	.	.			trans	-61.9	149.7	-179.8	70	0	0	0	0	112.4	R23 G767 D769	R23-S764 PolarHBondContact NH2-O 2.85Å; S764-G767 WeakPolarHBondContact OG-CA 3.46Å; S764-G767 PolarHBondContact OG-N 2.97Å; S764-G767 VanDerWaalsContact OG-N 3.12Å; S764-G767 PolarHBondContact OG-O 3.27Å; S764-D769 WeakPolarHBondContact CB-OD1 3.47Å; S764-D769 PolarHBondContact N-OD1 3.09Å; S764-D769 PolarHBondContact N-OD2 2.79Å; S764-D769 PolarHBondContact OG-OD1 2.84Å
765	A	85.4	Confident	95.4	Very high	20 Å²	20	17.9 Å²	17.9	17%	0.165	9%	0.092	C	C	.	.	S	Bend	trans	-60.5	-49.4	-178.1	0	0	0	0	0	112.4	G220 Y223	G220-A765 WeakPolarHBondContact O-CB 3.36Å; Y223-A765 HydrophobicContact CD1-CB 3.52Å; Y223-A765 HydrophobicContact CD2-CB 4.46Å; Y223-A765 HydrophobicContact CE1-CB 3.64Å; Y223-A765 HydrophobicContact CG-CB 4.01Å
766	D	81.9	Confident	95.3	Very high	82 Å²	82	18.9 Å²	18.9	44%	0.439	10%	0.099	S	C	.	.	S	Bend	trans	-116.7	-15.1	-171.9	-58.8	-33.1	0	0	0	113.7	A22 R23 Y223	A22-D766 WeakPolarHBondContact CA-O 3.08Å; R23-D766 PolarHBondContact N-O 3.41Å; Y223-D766 WeakPolarHBondContact CE1-OD2 3.23Å; Y223-D766 VanDerWaalsContact CZ-OD1 3.29Å; Y223-D766 VanDerWaalsContact CZ-OD2 3.22Å; Y223-D766 PolarHBondContact OH-OD1 3.05Å; Y223-D766 PolarHBondContact OH-OD2 3.28Å
767	G	89.3	Confident	95	Very high	25 Å²	25	19.2 Å²	19.2	26%	0.258	10%	0.102	S	C	.	.	B	Isolated β-bridge	trans	-79.7	149.8	-177.9	0	0	0	0	0	112.1	R23 S764 D769	R23-G767 VanDerWaalsContact CZ-O 3.28Å; R23-G767 PolarHBondContact NH2-O 3.22Å; S764-G767 WeakPolarHBondContact OG-CA 3.46Å; S764-G767 PolarHBondContact OG-N 2.97Å; S764-G767 VanDerWaalsContact OG-N 3.12Å; S764-G767 PolarHBondContact OG-O 3.27Å; G767-D769 PolarHBondContact O-N 2.92Å; G767-D769 VanDerWaalsContact O-N 3.08Å
768	Y	95.8	Very high	94.6	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.008	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	80.9	172.6	-170.7	-174.5	0	0	0	110.7	I21 R23 P24 V789 F796 N797 A798 M801	I21-Y768 HydrophobicContact CG2-CD1 4.4Å; R23-Y768 HydrophobicContact CG-CD2 4.34Å; P24-Y768 HydrophobicContact CG-CD1 4.04Å; P24-Y768 HydrophobicContact CG-CE1 3.63Å; P24-Y768 HydrophobicContact CG-CE2 4.23Å; Y768-V789 HydrophobicContact CD1-CB 3.44Å; Y768-V789 VanDerWaalsContact CD1-CB 3.44Å; Y768-V789 HydrophobicContact CD1-CG1 3.78Å; Y768-V789 HydrophobicContact CD1-CG2 3.7Å; Y768-V789 HydrophobicContact CD2-CG2 4.3Å; Y768-V789 HydrophobicContact CE1-CB 3.92Å; Y768-V789 HydrophobicContact CE1-CG1 4.04Å; Y768-V789 HydrophobicContact CE1-CG2 3.73Å; Y768-V789 HydrophobicContact CE2-CG2 4.34Å; Y768-V789 HydrophobicContact CG-CB 3.8Å; Y768-V789 HydrophobicContact CG-CG2 3.97Å; Y768-V789 PolarHBondContact O-N 3.16Å; Y768-F796 PolarHBondContact OH-O 2.93Å; Y768-N797 PolarHBondContact OH-O 3.21Å; Y768-A798 HydrophobicContact CE2-CB 4.34Å; Y768-A798 VanDerWaalsContact OH-CA 3.29Å; Y768-A798 WeakPolarHBondContact OH-CA 3.23Å; Y768-A798 PolarHBondContact OH-N 2.86Å; Y768-M801 WeakPolarHBondContact OH-CB 3.48Å
769	D	96.8	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.8	-178.5	73.8	-37.6	0	0	0	114.6	R23 T763 S764 G767 K786 Y787 H788	R23-D769 IonicContact CZ-OD1 2.89Å; R23-D769 PolarHBondContact NH1-O 2.94Å; R23-D769 PolarHBondContact NH2-O 3.23Å; R23-D769 VanDerWaalsContact NH2-O 3.16Å; R23-D769 IonicContact NH2-OD1 2.99Å; R23-D769 PolarHBondContact NH2-OD1 3.41Å; T763-D769 WeakPolarHBondContact CB-OD1 3.37Å; S764-D769 WeakPolarHBondContact CB-OD1 3.47Å; S764-D769 PolarHBondContact N-OD1 3.09Å; S764-D769 PolarHBondContact N-OD2 2.79Å; S764-D769 PolarHBondContact OG-OD1 2.84Å; G767-D769 PolarHBondContact O-N 2.92Å; G767-D769 VanDerWaalsContact O-N 3.08Å; D769-K786 WeakPolarHBondContact OD2-CE 3.5Å; D769-K786 IonicContact OD2-NZ 2.7Å; D769-K786 PolarHBondContact OD2-NZ 2.77Å; D769-Y787 CarbonylContact C-O 3.52Å; D769-Y787 WeakPolarHBondContact CA-O 3.37Å; D769-Y787 VanDerWaalsContact CB-O 3.26Å; D769-Y787 WeakPolarHBondContact CB-O 3.29Å; D769-H788 WeakPolarHBondContact CB-ND1 3.45Å; D769-H788 IonicContact OD2-CE1 3.92Å
770	F	98.6	Very high	93.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	153	176.1	58.3	-88.5	0	0	0	111.6	V757 I758 D759 L772 Y787 M801 Q802	V757-F770 HydrophobicContact CG2-CB 4.29Å; V757-F770 HydrophobicContact CG2-CD2 4.08Å; I758-F770 CarbonylContact O-C 3.18Å; I758-F770 WeakPolarHBondContact O-CA 3.34Å; D759-F770 HydrophobicContact CB-CB 3.87Å; F770-L772 HydrophobicContact CD2-CB 4.28Å; F770-L772 HydrophobicContact CE2-CB 4.31Å; F770-Y787 HydrophobicContact CD2-CD2 4.04Å; F770-Y787 HydrophobicContact CD2-CG 4.27Å; F770-Y787 HydrophobicContact CE2-CD1 4.34Å; F770-Y787 AromaticContact CE2-CD2 3.62Å; F770-Y787 HydrophobicContact CE2-CD2 3.62Å; F770-Y787 HydrophobicContact CE2-CE2 4.4Å; F770-Y787 AromaticContact CE2-CG 3.59Å; F770-Y787 HydrophobicContact CE2-CG 3.59Å; F770-Y787 VanDerWaalsContact CZ-CB 3.46Å; F770-Y787 HydrophobicContact CZ-CD1 4.27Å; F770-Y787 HydrophobicContact CZ-CD2 4.27Å; F770-Y787 AromaticContact CZ-CG 3.76Å; F770-Y787 HydrophobicContact CZ-CG 3.76Å; F770-Y787 PolarHBondContact N-O 2.78Å; F770-Y787 PolarHBondContact O-N 2.63Å; F770-M801 HydrophobicContact CE1-CB 4.49Å; F770-M801 HydrophobicContact CE1-CG 4.05Å; F770-M801 HydrophobicContact CZ-CG 4.24Å; F770-Q802 HydrophobicContact CD1-CG 4.01Å; F770-Q802 HydrophobicContact CD2-CG 3.81Å; F770-Q802 HydrophobicContact CE1-CG 4.08Å; F770-Q802 HydrophobicContact CE2-CB 4.41Å; F770-Q802 HydrophobicContact CE2-CG 3.88Å; F770-Q802 HydrophobicContact CG-CG 3.88Å; F770-Q802 HydrophobicContact CZ-CG 4.01Å
771	Y	98.7	Very high	93.8	Very high	11 Å²	11	27.8 Å²	27.8	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138.7	166.9	-64.1	-88.5	0	0	0	109.9	H733 A735 F737 V757 I758 V762 T763 A785 K786	H733-Y771 AromaticContact CE1-CD1 3.91Å; H733-Y771 AromaticContact CE1-CE1 3.65Å; H733-Y771 AromaticContact NE2-CD1 3.98Å; H733-Y771 AromaticContact NE2-CE1 3.81Å; A735-Y771 HydrophobicContact CB-CD1 4.41Å; A735-Y771 HydrophobicContact CB-CE1 3.65Å; F737-Y771 HydrophobicContact CE2-CD1 4.34Å; F737-Y771 HydrophobicContact CE2-CG 4.21Å; F737-Y771 HydrophobicContact CZ-CD2 4.02Å; F737-Y771 HydrophobicContact CZ-CE2 4.38Å; F737-Y771 HydrophobicContact CZ-CG 4.09Å; V757-Y771 CarbonylContact C-O 3.54Å; V757-Y771 VanDerWaalsContact CA-O 3.26Å; V757-Y771 WeakPolarHBondContact CA-O 3.38Å; V757-Y771 WeakPolarHBondContact CG2-O 3.25Å; I758-Y771 PolarHBondContact N-O 2.94Å; I758-Y771 PolarHBondContact O-N 3.2Å; V762-Y771 HydrophobicContact CG2-CD2 4.41Å; V762-Y771 HydrophobicContact CG2-CE2 4.13Å; T763-Y771 HydrophobicContact CG2-CD2 4.23Å; T763-Y771 HydrophobicContact CG2-CE2 4.39Å; Y771-A785 CarbonylContact C-O 3.53Å; Y771-A785 WeakPolarHBondContact CA-O 3.49Å; Y771-K786 HydrophobicContact CD1-CB 3.78Å; Y771-K786 HydrophobicContact CD1-CG 3.98Å; Y771-K786 HydrophobicContact CE1-CB 3.64Å; Y771-K786 HydrophobicContact CE1-CD 3.77Å; Y771-K786 HydrophobicContact CE1-CG 3.67Å; Y771-K786 HydrophobicContact CE2-CD 4.4Å; Y771-K786 HydrophobicContact CE2-CG 4.42Å; Y771-K786 HydrophobicContact CG-CG 4.47Å
772	L	98.8	Very high	93.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.5	174.3	171.5	66.7	0	0	0	110.6	L427 V757 F770 S774 P784 A785 Y787 Y806	L427-L772 HydrophobicContact CD1-CD1 4.29Å; V757-L772 HydrophobicContact CB-CD1 4.39Å; F770-L772 HydrophobicContact CD2-CB 4.28Å; F770-L772 HydrophobicContact CE2-CB 4.31Å; L772-S774 PolarHBondContact O-N 3.08Å; L772-P784 CarbonylContact O-C 3.46Å; L772-P784 WeakPolarHBondContact O-CA 3.49Å; L772-A785 PolarHBondContact N-O 3.15Å; L772-A785 PolarHBondContact O-N 3.45Å; L772-Y787 HydrophobicContact CB-CD2 4.15Å; L772-Y787 HydrophobicContact CB-CE2 3.74Å; L772-Y787 HydrophobicContact CD2-CE2 4.23Å; L772-Y787 HydrophobicContact CG-CE2 4.48Å; L772-Y806 HydrophobicContact CD1-CD2 4.31Å; L772-Y806 HydrophobicContact CD1-CG 4.37Å; L772-Y806 HydrophobicContact CD2-CD2 4.44Å; L772-Y806 HydrophobicContact CD2-CG 4.5Å
773	C	98.5	Very high	93.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	79.6	170.7	-164.2	0	0	0	0	109.7	I752 A754 G755 T756 H775 P784	I752-C773 HydrophobicContact CD1-CB 3.6Å; I752-C773 HydrophobicContact CG1-CB 3.93Å; A754-C773 CarbonylContact C-O 3.54Å; A754-C773 VanDerWaalsContact CA-O 3.31Å; A754-C773 WeakPolarHBondContact CA-O 3.32Å; G755-C773 PolarHBondContact N-O 2.88Å; T756-C773 PolarHBondContact O-N 3.39Å; C773-H775 VanDerWaalsContact C-N 3.27Å; C773-H775 PolarHBondContact O-N 3.02Å; C773-P784 HydrophobicContact CB-CB 3.91Å; C773-P784 HydrophobicContact CB-CG 3.84Å
774	S	98.3	Very high	94	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.			trans	-73.6	-13.1	-175.5	51.6	0	0	0	0	114.9	L772 Y806 C809 S818 V819 S820	L772-S774 PolarHBondContact O-N 3.08Å; S774-Y806 WeakPolarHBondContact O-CE2 3.43Å; S774-C809 VanDerWaalsContact CB-SG 3.59Å; S774-C809 PolarHBondContact OG-SG 3.36Å; S774-S818 WeakPolarHBondContact O-CB 3.48Å; S774-S818 PolarHBondContact O-OG 2.73Å; S774-V819 WeakPolarHBondContact CB-O 3.44Å; S774-V819 PolarHBondContact OG-O 2.82Å; S774-S820 VanDerWaalsContact OG-C 3.28Å; S774-S820 WeakPolarHBondContact OG-CA 3.46Å; S774-S820 PolarHBondContact OG-O 3.43Å
775	H	97.3	Very high	94.4	Very high	33 Å²	33	27.6 Å²	27.6	15%	0.153	15%	0.151	C	C	.	.	S	Bend	trans	-119.8	156.8	-169.3	63.6	-70.2	0	0	0	112.3	C773 K783 S818 S820	C773-H775 VanDerWaalsContact C-N 3.27Å; C773-H775 PolarHBondContact O-N 3.02Å; H775-K783 PolarHBondContact CE1-O 3.35Å; H775-S818 WeakPolarHBondContact CB-O 3.35Å; H775-S820 WeakPolarHBondContact ND1-CB 3.27Å
776	T	95.5	Very high	95	Very high	22 Å²	22	27.3 Å²	27.3	14%	0.135	15%	0.146	C	C	.	.			trans	-74.8	127.8	168.5	-27.1	0	0	0	0	110.8	N447 T449 I778	N447-T776 PolarHBondContact O-OG1 3.3Å; T449-T776 WeakPolarHBondContact CG2-OG1 3.2Å; T776-I778 PolarHBondContact O-N 2.96Å; T776-I778 VanDerWaalsContact O-N 3.12Å
777	G	92.1	Very high	95.7	Very high	7 Å²	7	23.4 Å²	23.4	7%	0.072	13%	0.125	C	C	.	.			trans	-72.7	98	171.7	0	0	0	0	0	112.9	N751 S782	N751-G777 PolarHBondContact ND2-O 3.17Å; G777-S782 VanDerWaalsContact CA-OG 3.22Å; G777-S782 WeakPolarHBondContact CA-OG 3.17Å
778	I	89.7	Confident	96.2	Very high	119 Å²	119	22.7 Å²	22.7	61%	0.61	12%	0.115	S	C	*	.			trans	-68	-43.7	-179.5	-60.6	173.5	0	0	0	111.6	T776	T776-I778 PolarHBondContact O-N 2.96Å; T776-I778 VanDerWaalsContact O-N 3.12Å
779	Q	88.8	Confident	96.3	Very high	121 Å²	121	22.8 Å²	22.8	57%	0.565	12%	0.116	S	C	*	.	S	Bend	trans	-144.3	141.3	-177.2	-177.1	178.8	0.2	0	0	109.9	A383	A383-Q779 HydrophobicContact CB-CG 3.91Å
780	G	93.5	Very high	96.2	Very high	12 Å²	12	23 Å²	23	12%	0.124	12%	0.117	C	C	.	.	S	Bend	trans	68	-161.1	-179.6	0	0	0	0	0	112.7	M384 N751	M384-G780 CarbonylContact O-C 3.42Å; M384-G780 WeakPolarHBondContact O-CA 3.22Å; N751-G780 PolarHBondContact ND2-O 3.02Å; N751-G780 PolarHBondContact OD1-O 2.81Å
781	T	95.3	Very high	96.2	Very high	19 Å²	19	25 Å²	25	12%	0.117	13%	0.125	C	C	.	.	S	Bend	trans	-87.3	131.7	175.8	-42.1	0	0	0	0	111.2	M384 A386 R389 R736 N751	M384-T781 PolarHBondContact O-N 3.42Å; M384-T781 PolarHBondContact O-OG1 3.36Å; A386-T781 HydrophobicContact CB-CG2 3.67Å; R389-T781 WeakPolarHBondContact CB-OG1 3.41Å; R389-T781 WeakPolarHBondContact CD-OG1 3.22Å; R736-T781 HydrophobicContact CB-CG2 4.25Å; R736-T781 HydrophobicContact CG-CG2 4.42Å; N751-T781 WeakPolarHBondContact OD1-CA 3.42Å
782	S	95.8	Very high	96.1	Very high	7 Å²	7	25 Å²	25	5%	0.049	13%	0.126	C	C	.	.			trans	-64.2	151.9	178.3	-58.8	0	0	0	0	111	N751 G777 P784	N751-S782 WeakPolarHBondContact CB-OG 3.35Å; N751-S782 WeakPolarHBondContact OD1-CB 3.48Å; N751-S782 PolarHBondContact OD1-N 3.05Å; N751-S782 PolarHBondContact OD1-OG 2.9Å; G777-S782 VanDerWaalsContact CA-OG 3.22Å; G777-S782 WeakPolarHBondContact CA-OG 3.17Å; S782-P784 WeakPolarHBondContact O-CD 3.28Å
783	K	95.8	Very high	96	Very high	99 Å²	99	28.1 Å²	28.1	43%	0.43	14%	0.142	S	C	.	.			trans	-116.1	91.9	175.5	-59.9	-171.2	-178.1	-178.7	0	108.2	H775 A785	H775-K783 PolarHBondContact CE1-O 3.35Å; K783-A785 PolarHBondContact O-N 3.5Å
784	P	97.8	Very high	95.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-57.8	135	172.7	-22.7	36.8	0	0	0	108.3	H733 F737 I752 L772 C773 S782	H733-P784 PolarHBondContact CE1-O 3.16Å; H733-P784 PolarHBondContact NE2-O 2.85Å; F737-P784 HydrophobicContact CD2-CG 3.75Å; F737-P784 HydrophobicContact CE2-CG 4.06Å; I752-P784 HydrophobicContact CD1-CG 3.9Å; L772-P784 CarbonylContact O-C 3.46Å; L772-P784 WeakPolarHBondContact O-CA 3.49Å; C773-P784 HydrophobicContact CB-CB 3.91Å; C773-P784 HydrophobicContact CB-CG 3.84Å; S782-P784 WeakPolarHBondContact O-CD 3.28Å
785	A	98.1	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	143.7	175.5	0	0	0	0	0	109.5	V729 Y771 L772 K783 Y787 I821	V729-A785 HydrophobicContact CG1-CB 4.21Å; Y771-A785 CarbonylContact C-O 3.53Å; Y771-A785 WeakPolarHBondContact CA-O 3.49Å; L772-A785 PolarHBondContact N-O 3.15Å; L772-A785 PolarHBondContact O-N 3.45Å; K783-A785 PolarHBondContact O-N 3.5Å; A785-Y787 HydrophobicContact CB-CE2 3.73Å; A785-Y787 WeakPolarHBondContact O-CD2 3.02Å; A785-Y787 WeakPolarHBondContact O-CE2 3.41Å; A785-I821 HydrophobicContact CB-CG2 3.92Å
786	K	97.9	Very high	95.8	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.057	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.7	173.1	-163.7	-178.3	-177	-166.6	0	109.5	E695 Q730 D769 Y771 H788	E695-K786 IonicContact OE1-NZ 3.92Å; E695-K786 PolarHBondContact OE1-NZ 3.1Å; Q730-K786 HydrophobicContact CB-CB 4.31Å; Q730-K786 PolarHBondContact N-O 3.05Å; Q730-K786 PolarHBondContact O-N 2.81Å; D769-K786 WeakPolarHBondContact OD2-CE 3.5Å; D769-K786 IonicContact OD2-NZ 2.7Å; D769-K786 PolarHBondContact OD2-NZ 2.77Å; Y771-K786 HydrophobicContact CD1-CB 3.78Å; Y771-K786 HydrophobicContact CD1-CG 3.98Å; Y771-K786 HydrophobicContact CE1-CB 3.64Å; Y771-K786 HydrophobicContact CE1-CD 3.77Å; Y771-K786 HydrophobicContact CE1-CG 3.67Å; Y771-K786 HydrophobicContact CE2-CD 4.4Å; Y771-K786 HydrophobicContact CE2-CG 4.42Å; Y771-K786 HydrophobicContact CG-CG 4.47Å; K786-H788 WeakPolarHBondContact CD-NE2 3.49Å; K786-H788 WeakPolarHBondContact CE-CE1 3.5Å; K786-H788 WeakPolarHBondContact CE-NE2 3.44Å; K786-H788 PolarHBondContact NZ-CE1 3.07Å; K786-H788 VanDerWaalsContact NZ-CE1 3.28Å; K786-H788 PolarHBondContact NZ-NE2 2.67Å
787	Y	98.6	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.4	179	-64.9	-103.9	0	0	0	108.2	F689 V727 V728 V729 D769 F770 L772 A785 P822	F689-Y787 HydrophobicContact CD1-CD1 4.47Å; F689-Y787 HydrophobicContact CD1-CE1 4.41Å; F689-Y787 HydrophobicContact CE1-CD1 4.2Å; F689-Y787 HydrophobicContact CE1-CE1 4.17Å; V727-Y787 HydrophobicContact CG1-CD1 4.06Å; V728-Y787 CarbonylContact O-C 3.58Å; V728-Y787 WeakPolarHBondContact O-CA 3.43Å; V729-Y787 HydrophobicContact CB-CE1 4.49Å; V729-Y787 HydrophobicContact CG1-CD1 4.42Å; V729-Y787 HydrophobicContact CG1-CE1 3.99Å; V729-Y787 HydrophobicContact CG2-CD1 3.81Å; V729-Y787 HydrophobicContact CG2-CE1 3.74Å; D769-Y787 CarbonylContact C-O 3.52Å; D769-Y787 WeakPolarHBondContact CA-O 3.37Å; D769-Y787 VanDerWaalsContact CB-O 3.26Å; D769-Y787 WeakPolarHBondContact CB-O 3.29Å; F770-Y787 HydrophobicContact CD2-CD2 4.04Å; F770-Y787 HydrophobicContact CD2-CG 4.27Å; F770-Y787 HydrophobicContact CE2-CD1 4.34Å; F770-Y787 AromaticContact CE2-CD2 3.62Å; F770-Y787 HydrophobicContact CE2-CD2 3.62Å; F770-Y787 HydrophobicContact CE2-CE2 4.4Å; F770-Y787 AromaticContact CE2-CG 3.59Å; F770-Y787 HydrophobicContact CE2-CG 3.59Å; F770-Y787 VanDerWaalsContact CZ-CB 3.46Å; F770-Y787 HydrophobicContact CZ-CD1 4.27Å; F770-Y787 HydrophobicContact CZ-CD2 4.27Å; F770-Y787 AromaticContact CZ-CG 3.76Å; F770-Y787 HydrophobicContact CZ-CG 3.76Å; F770-Y787 PolarHBondContact N-O 2.78Å; F770-Y787 PolarHBondContact O-N 2.63Å; L772-Y787 HydrophobicContact CB-CD2 4.15Å; L772-Y787 HydrophobicContact CB-CE2 3.74Å; L772-Y787 HydrophobicContact CD2-CE2 4.23Å; L772-Y787 HydrophobicContact CG-CE2 4.48Å; A785-Y787 HydrophobicContact CB-CE2 3.73Å; A785-Y787 WeakPolarHBondContact O-CD2 3.02Å; A785-Y787 WeakPolarHBondContact O-CE2 3.41Å; Y787-P822 HydrophobicContact CE1-CG 3.91Å; Y787-P822 WeakPolarHBondContact OH-CD 3.29Å
788	H	97.9	Very high	96.2	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.051	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	113.2	173.9	-70.5	-96.3	0	0	0	109	E695 F698 V727 V728 D769 K786 L790	E695-H788 IonicContact OE1-CE1 2.67Å; E695-H788 IonicContact OE1-NE2 2.81Å; F698-H788 HydrophobicContact CE2-CB 4.08Å; F698-H788 AromaticContact CE2-CE1 3.98Å; F698-H788 AromaticContact CE2-CG 3.72Å; F698-H788 AromaticContact CE2-ND1 3.66Å; F698-H788 HydrophobicContact CZ-CB 4.17Å; F698-H788 AromaticContact CZ-CD2 3.77Å; F698-H788 AromaticContact CZ-CG 3.8Å; V727-H788 CarbonylContact C-O 3.58Å; V727-H788 VanDerWaalsContact CA-O 3.31Å; V727-H788 WeakPolarHBondContact CA-O 3.47Å; V728-H788 HydrophobicContact CB-CB 4.34Å; V728-H788 PolarHBondContact N-O 3.16Å; V728-H788 PolarHBondContact O-N 3.15Å; D769-H788 WeakPolarHBondContact CB-ND1 3.45Å; D769-H788 IonicContact OD2-CE1 3.92Å; K786-H788 WeakPolarHBondContact CD-NE2 3.49Å; K786-H788 WeakPolarHBondContact CE-CE1 3.5Å; K786-H788 WeakPolarHBondContact CE-NE2 3.44Å; K786-H788 PolarHBondContact NZ-CE1 3.07Å; K786-H788 VanDerWaalsContact NZ-CE1 3.28Å; K786-H788 PolarHBondContact NZ-NE2 2.67Å; H788-L790 HydrophobicContact CB-CD2 3.85Å; H788-L790 PolarHBondContact O-N 3.44Å
789	V	98.1	Very high	96.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	113.2	168.6	-171.1	0	0	0	0	106.8	I21 T725 V727 Y768 D792 M801	I21-V789 HydrophobicContact CG2-CB 4.47Å; I21-V789 HydrophobicContact CG2-CG1 4.16Å; I21-V789 VanDerWaalsContact CG2-O 3.26Å; I21-V789 WeakPolarHBondContact CG2-O 3.37Å; T725-V789 HydrophobicContact CG2-CG1 4.09Å; V727-V789 HydrophobicContact CG2-CG2 4.31Å; Y768-V789 HydrophobicContact CD1-CB 3.44Å; Y768-V789 VanDerWaalsContact CD1-CB 3.44Å; Y768-V789 HydrophobicContact CD1-CG1 3.78Å; Y768-V789 HydrophobicContact CD1-CG2 3.7Å; Y768-V789 HydrophobicContact CD2-CG2 4.3Å; Y768-V789 HydrophobicContact CE1-CB 3.92Å; Y768-V789 HydrophobicContact CE1-CG1 4.04Å; Y768-V789 HydrophobicContact CE1-CG2 3.73Å; Y768-V789 HydrophobicContact CE2-CG2 4.34Å; Y768-V789 HydrophobicContact CG-CB 3.8Å; Y768-V789 HydrophobicContact CG-CG2 3.97Å; Y768-V789 PolarHBondContact O-N 3.16Å; V789-D792 HydrophobicContact CG1-CB 4.05Å; V789-M801 HydrophobicContact CG2-CG 3.76Å; V789-M801 HydrophobicContact CG2-SD 4.4Å
790	L	96.2	Very high	97.1	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-26.6	-177.7	-58.3	-169	0	0	0	112.1	L20 I21 F698 L702 Y726 V728 H788	L20-L790 HydrophobicContact CD1-CD2 4.47Å; L20-L790 HydrophobicContact CD2-CB 4.14Å; L20-L790 HydrophobicContact CD2-CD2 4.23Å; I21-L790 PolarHBondContact N-O 2.9Å; I21-L790 VanDerWaalsContact N-O 3.14Å; F698-L790 HydrophobicContact CB-CD1 3.85Å; F698-L790 HydrophobicContact CB-CD2 4.31Å; F698-L790 HydrophobicContact CD1-CD1 4.14Å; F698-L790 HydrophobicContact CD2-CD1 4.36Å; F698-L790 HydrophobicContact CD2-CD2 3.58Å; F698-L790 HydrophobicContact CE2-CD2 3.96Å; F698-L790 HydrophobicContact CG-CD1 3.87Å; F698-L790 HydrophobicContact CG-CD2 3.96Å; L702-L790 HydrophobicContact CB-CD1 4.39Å; L702-L790 HydrophobicContact CD1-CB 4.21Å; L702-L790 HydrophobicContact CD2-CB 4.07Å; Y726-L790 HydrophobicContact CD1-CB 4.11Å; Y726-L790 HydrophobicContact CD1-CD1 4.13Å; Y726-L790 HydrophobicContact CD1-CG 4.3Å; Y726-L790 HydrophobicContact CE1-CD1 4.04Å; Y726-L790 PolarHBondContact O-N 3.14Å; V728-L790 HydrophobicContact CG2-CD1 3.51Å; V728-L790 HydrophobicContact CG2-CG 4.04Å; H788-L790 HydrophobicContact CB-CD2 3.85Å; H788-L790 PolarHBondContact O-N 3.44Å
791	Y	97.4	Very high	97.3	Very high	43 Å²	43	26.5 Å²	26.5	17%	0.169	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	141.5	-177	-174.3	-89.9	0	0	0	110.1	L706 R710 T725 Y726 D793	L706-Y791 HydrophobicContact CD1-CD1 4.28Å; L706-Y791 HydrophobicContact CD1-CE1 4.46Å; L706-Y791 HydrophobicContact CD2-CD1 3.82Å; L706-Y791 HydrophobicContact CD2-CD2 3.74Å; L706-Y791 HydrophobicContact CD2-CE1 4.02Å; L706-Y791 HydrophobicContact CD2-CE2 3.92Å; L706-Y791 HydrophobicContact CD2-CG 3.7Å; R710-Y791 VanDerWaalsContact NH2-CZ 3.34Å; R710-Y791 PolarHBondContact NH2-OH 2.83Å; T725-Y791 CarbonylContact C-O 3.45Å; T725-Y791 WeakPolarHBondContact CA-O 3.31Å; Y726-Y791 PolarHBondContact N-O 3.19Å; Y791-D793 HydrophobicContact CE1-CB 4.43Å; Y791-D793 VanDerWaalsContact CE1-CG 3.42Å; Y791-D793 WeakPolarHBondContact CE1-OD1 3.08Å; Y791-D793 WeakPolarHBondContact CE1-OD2 3.46Å; Y791-D793 PolarHBondContact OH-OD1 3.4Å; Y791-D793 PolarHBondContact OH-OD2 3.15Å
792	D	97	Very high	97.5	Very high	11 Å²	11	25.6 Å²	25.6	6%	0.059	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	103.3	-179.5	-171.6	22.3	0	0	0	113.9	I21 T725 V789 N794 N795 F796	I21-D792 HydrophobicContact CD1-CB 3.74Å; T725-D792 WeakPolarHBondContact CB-OD1 3.47Å; T725-D792 HydrophobicContact CG2-CB 4.08Å; T725-D792 WeakPolarHBondContact CG2-OD1 3.38Å; T725-D792 PolarHBondContact OG1-OD1 2.89Å; V789-D792 HydrophobicContact CG1-CB 4.05Å; D792-N794 VanDerWaalsContact C-N 3.31Å; D792-N794 WeakPolarHBondContact OD1-CA 3.35Å; D792-N794 WeakPolarHBondContact OD1-CB 3.23Å; D792-N794 PolarHBondContact OD1-N 2.9Å; D792-N795 PolarHBondContact OD1-N 3Å; D792-N795 WeakPolarHBondContact OD2-CA 3.48Å; D792-N795 PolarHBondContact OD2-N 3Å; D792-F796 PolarHBondContact OD2-N 3.34Å
793	D	96.9	Very high	97.6	Very high	64 Å²	64	26 Å²	26	34%	0.342	13%	0.133	S	C	.	.	S	Bend	trans	-78.7	-16.2	168.9	-68	-37.1	0	0	0	112.4	I724 Y791 N795	I724-D793 PolarHBondContact N-OD2 3.34Å; I724-D793 PolarHBondContact O-N 2.95Å; Y791-D793 HydrophobicContact CE1-CB 4.43Å; Y791-D793 VanDerWaalsContact CE1-CG 3.42Å; Y791-D793 WeakPolarHBondContact CE1-OD1 3.08Å; Y791-D793 WeakPolarHBondContact CE1-OD2 3.46Å; Y791-D793 PolarHBondContact OH-OD1 3.4Å; Y791-D793 PolarHBondContact OH-OD2 3.15Å; D793-N795 VanDerWaalsContact C-N 3.32Å
794	N	96.5	Very high	97.7	Very high	29 Å²	29	21.3 Å²	21.3	16%	0.155	11%	0.113	C	C	.	.	S	Bend	trans	-85.6	-7.4	-175.1	-68.2	-71.7	0	0	0	113.2	R685 G723 T725 D792 F796	R685-N794 WeakPolarHBondContact CG-OD1 3.38Å; R685-N794 PolarHBondContact NE-OD1 2.95Å; G723-N794 VanDerWaalsContact C-ND2 3.28Å; G723-N794 PolarHBondContact O-ND2 3.33Å; T725-N794 PolarHBondContact OG1-ND2 3.09Å; D792-N794 VanDerWaalsContact C-N 3.31Å; D792-N794 WeakPolarHBondContact OD1-CA 3.35Å; D792-N794 WeakPolarHBondContact OD1-CB 3.23Å; D792-N794 PolarHBondContact OD1-N 2.9Å; N794-F796 VanDerWaalsContact C-N 3.31Å; N794-F796 HydrophobicContact CB-CD2 3.76Å; N794-F796 HydrophobicContact CB-CE2 3.55Å; N794-F796 HydrophobicContact CB-CG 4.36Å; N794-F796 HydrophobicContact CB-CZ 4Å; N794-F796 PolarHBondContact O-N 3.21Å
795	N	96.2	Very high	97.8	Very high	139 Å²	139	21.2 Å²	21.2	74%	0.743	11%	0.112	S	C	*	.			trans	51.7	47.3	-179.7	-57.9	-61.7	0	0	0	112.5	D792 D793 N797	D792-N795 PolarHBondContact OD1-N 3Å; D792-N795 WeakPolarHBondContact OD2-CA 3.48Å; D792-N795 PolarHBondContact OD2-N 3Å; D793-N795 VanDerWaalsContact C-N 3.32Å; N795-N797 PolarHBondContact O-N 3Å
796	F	97.6	Very high	97.8	Very high	8 Å²	8	21.3 Å²	21.3	4%	0.035	11%	0.113	C	C	.	.			trans	-69.1	128.5	173.6	-71.2	-55.7	0	0	0	110.5	I687 T725 Y768 D792 N794 T800 M801 I804	I687-F796 HydrophobicContact CD1-CE2 3.84Å; I687-F796 HydrophobicContact CD1-CZ 3.95Å; I687-F796 HydrophobicContact CG1-CE2 4.17Å; T725-F796 HydrophobicContact CG2-CD2 4.11Å; T725-F796 WeakPolarHBondContact OG1-CD2 3.42Å; T725-F796 WeakPolarHBondContact OG1-CE2 3.45Å; Y768-F796 PolarHBondContact OH-O 2.93Å; D792-F796 PolarHBondContact OD2-N 3.34Å; N794-F796 VanDerWaalsContact C-N 3.31Å; N794-F796 HydrophobicContact CB-CD2 3.76Å; N794-F796 HydrophobicContact CB-CE2 3.55Å; N794-F796 HydrophobicContact CB-CG 4.36Å; N794-F796 HydrophobicContact CB-CZ 4Å; N794-F796 PolarHBondContact O-N 3.21Å; F796-T800 HydrophobicContact CD1-CG2 3.3Å; F796-T800 HydrophobicContact CE1-CG2 3.64Å; F796-T800 HydrophobicContact CG-CG2 4.24Å; F796-M801 HydrophobicContact CB-CB 4.35Å; F796-M801 HydrophobicContact CD2-SD 4.38Å; F796-I804 HydrophobicContact CD1-CD1 4.35Å; F796-I804 HydrophobicContact CE1-CD1 3.84Å; F796-I804 HydrophobicContact CE2-CD1 4.3Å; F796-I804 HydrophobicContact CZ-CD1 3.79Å
797	N	97.8	Very high	97.8	Very high	62 Å²	62	21.9 Å²	21.9	33%	0.332	11%	0.114	S	C	.	.			trans	-74.5	166.4	165.4	63.9	20.5	0	0	0	111.6	D25 Y768 N795 D799 T800 M801	D25-N797 WeakPolarHBondContact OD2-CB 3.49Å; Y768-N797 PolarHBondContact OH-O 3.21Å; N795-N797 PolarHBondContact O-N 3Å; N797-D799 PolarHBondContact O-N 3.21Å; N797-T800 PolarHBondContact O-N 2.88Å; N797-T800 WeakPolarHBondContact OD1-CB 3.24Å; N797-T800 PolarHBondContact OD1-N 2.88Å; N797-T800 PolarHBondContact OD1-OG1 3.17Å; N797-M801 PolarHBondContact O-N 3.46Å
798	A	98.1	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-52.6	-49.1	-179.5	0	0	0	0	0	112.5	D25 G27 Y768 T800 M801 Q802	D25-A798 WeakPolarHBondContact OD1-CB 3.14Å; D25-A798 PolarHBondContact OD1-N 2.96Å; G27-A798 VanDerWaalsContact N-CB 3.31Å; Y768-A798 HydrophobicContact CE2-CB 4.34Å; Y768-A798 VanDerWaalsContact OH-CA 3.29Å; Y768-A798 WeakPolarHBondContact OH-CA 3.23Å; Y768-A798 PolarHBondContact OH-N 2.86Å; A798-T800 VanDerWaalsContact C-N 3.34Å; A798-T800 PolarHBondContact O-N 2.8Å; A798-M801 PolarHBondContact O-N 3.48Å; A798-Q802 WeakPolarHBondContact O-CB 3.29Å; A798-Q802 WeakPolarHBondContact O-CG 3.46Å; A798-Q802 PolarHBondContact O-N 2.91Å
799	D	98.5	Very high	97.8	Very high	23 Å²	23	21.3 Å²	21.3	12%	0.123	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-42.4	-179.6	-77.2	-40.7	0	0	0	112.1	G27 T28 E29 R425 N797 A803	G27-D799 WeakPolarHBondContact CA-OD1 3.49Å; T28-D799 PolarHBondContact N-OD1 3.35Å; T28-D799 PolarHBondContact N-OD2 2.8Å; T28-D799 PolarHBondContact OG1-OD2 3.21Å; E29-D799 HydrophobicContact CB-CB 4.47Å; E29-D799 WeakPolarHBondContact CB-OD1 3.47Å; E29-D799 HydrophobicContact CG-CB 4.12Å; E29-D799 PolarHBondContact N-OD1 3.26Å; E29-D799 PolarHBondContact N-OD2 2.93Å; R425-D799 IonicContact NH1-OD1 3.48Å; R425-D799 PolarHBondContact NH1-OD1 3.2Å; N797-D799 PolarHBondContact O-N 3.21Å; D799-A803 WeakPolarHBondContact O-CB 3.39Å; D799-A803 PolarHBondContact O-N 3.31Å
800	T	98.2	Very high	97.8	Very high	20 Å²	20	21.2 Å²	21.2	12%	0.123	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-48.6	179.6	-57.7	0	0	0	0	111.6	F603 N607 F796 N797 A798 Q802 A803 I804	F603-T800 HydrophobicContact CE2-CG2 4.18Å; F603-T800 HydrophobicContact CZ-CG2 4.17Å; N607-T800 HydrophobicContact CB-CG2 4.22Å; F796-T800 HydrophobicContact CD1-CG2 3.3Å; F796-T800 HydrophobicContact CE1-CG2 3.64Å; F796-T800 HydrophobicContact CG-CG2 4.24Å; N797-T800 PolarHBondContact O-N 2.88Å; N797-T800 WeakPolarHBondContact OD1-CB 3.24Å; N797-T800 PolarHBondContact OD1-N 2.88Å; N797-T800 PolarHBondContact OD1-OG1 3.17Å; A798-T800 VanDerWaalsContact C-N 3.34Å; A798-T800 PolarHBondContact O-N 2.8Å; T800-Q802 VanDerWaalsContact C-N 3.34Å; T800-Q802 PolarHBondContact O-N 2.89Å; T800-A803 PolarHBondContact O-N 3.46Å; T800-I804 HydrophobicContact CG2-CD1 3.78Å; T800-I804 HydrophobicContact CG2-CG1 4.32Å; T800-I804 WeakPolarHBondContact O-CB 3.39Å; T800-I804 VanDerWaalsContact O-CG1 3.3Å; T800-I804 WeakPolarHBondContact O-CG1 3.28Å; T800-I804 PolarHBondContact O-N 2.96Å
801	M	98.5	Very high	97.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.7	-37.9	-178.4	-168.3	66.4	-101	0	0	111.9	I687 F689 T725 V727 Y768 F770 V789 F796 N797 A798 I804 S805	I687-M801 HydrophobicContact CG2-CE 4.49Å; F689-M801 HydrophobicContact CE1-CE 4.06Å; F689-M801 HydrophobicContact CZ-CE 3.66Å; T725-M801 HydrophobicContact CG2-SD 4.09Å; V727-M801 HydrophobicContact CG2-CE 4.18Å; V727-M801 HydrophobicContact CG2-SD 3.87Å; Y768-M801 WeakPolarHBondContact OH-CB 3.48Å; F770-M801 HydrophobicContact CE1-CB 4.49Å; F770-M801 HydrophobicContact CE1-CG 4.05Å; F770-M801 HydrophobicContact CZ-CG 4.24Å; V789-M801 HydrophobicContact CG2-CG 3.76Å; V789-M801 HydrophobicContact CG2-SD 4.4Å; F796-M801 HydrophobicContact CB-CB 4.35Å; F796-M801 HydrophobicContact CD2-SD 4.38Å; N797-M801 PolarHBondContact O-N 3.46Å; A798-M801 PolarHBondContact O-N 3.48Å; M801-I804 HydrophobicContact CE-CB 4.08Å; M801-I804 HydrophobicContact CE-CG2 3.95Å; M801-S805 WeakPolarHBondContact CE-OG 3.5Å; M801-S805 WeakPolarHBondContact O-CB 3.36Å; M801-S805 PolarHBondContact O-N 3.38Å; M801-S805 PolarHBondContact O-OG 3.35Å
802	Q	98.8	Very high	97.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-45.7	176.2	-69.7	165.5	13	0	0	111.2	L427 V757 D759 F770 A798 T800 S805 Y806	L427-Q802 HydrophobicContact CD1-CB 4.08Å; V757-Q802 HydrophobicContact CG2-CB 4.42Å; V757-Q802 HydrophobicContact CG2-CG 3.89Å; D759-Q802 PolarHBondContact OD2-NE2 3.25Å; F770-Q802 HydrophobicContact CD1-CG 4.01Å; F770-Q802 HydrophobicContact CD2-CG 3.81Å; F770-Q802 HydrophobicContact CE1-CG 4.08Å; F770-Q802 HydrophobicContact CE2-CB 4.41Å; F770-Q802 HydrophobicContact CE2-CG 3.88Å; F770-Q802 HydrophobicContact CG-CG 3.88Å; F770-Q802 HydrophobicContact CZ-CG 4.01Å; A798-Q802 WeakPolarHBondContact O-CB 3.29Å; A798-Q802 WeakPolarHBondContact O-CG 3.46Å; A798-Q802 PolarHBondContact O-N 2.91Å; T800-Q802 VanDerWaalsContact C-N 3.34Å; T800-Q802 PolarHBondContact O-N 2.89Å; Q802-S805 PolarHBondContact O-N 3Å; Q802-Y806 WeakPolarHBondContact O-CB 3.43Å; Q802-Y806 PolarHBondContact O-N 3.06Å
803	A	98.4	Very high	97.4	Very high	15 Å²	15	20 Å²	20	12%	0.124	11%	0.108	C	C	.	.	H	α-helix	trans	-66.7	-44.8	178.2	0	0	0	0	0	112.5	F603 D799 T800 S805 Y806 Y807	F603-A803 HydrophobicContact CE1-CB 3.91Å; F603-A803 HydrophobicContact CE2-CB 3.9Å; F603-A803 HydrophobicContact CZ-CB 3.37Å; D799-A803 WeakPolarHBondContact O-CB 3.39Å; D799-A803 PolarHBondContact O-N 3.31Å; T800-A803 PolarHBondContact O-N 3.46Å; A803-S805 VanDerWaalsContact C-N 3.32Å; A803-S805 PolarHBondContact O-N 3.21Å; A803-Y806 PolarHBondContact O-N 2.86Å; A803-Y806 VanDerWaalsContact O-N 3.16Å; A803-Y807 WeakPolarHBondContact O-CB 3.5Å; A803-Y807 WeakPolarHBondContact O-CD1 3.28Å; A803-Y807 PolarHBondContact O-N 3.14Å
804	I	98.2	Very high	97.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-55.5	-49.3	173.7	-71	169.1	0	0	0	110.2	F603 N607 L608 I687 F689 F796 T800 M801 Y806 Y807 L808	F603-I804 HydrophobicContact CE1-CG1 4.23Å; F603-I804 HydrophobicContact CZ-CG1 4.08Å; N607-I804 HydrophobicContact CB-CD1 4.07Å; N607-I804 HydrophobicContact CB-CG1 4.28Å; L608-I804 HydrophobicContact CD2-CG2 4.22Å; I687-I804 HydrophobicContact CD1-CD1 4.06Å; I687-I804 HydrophobicContact CD1-CG2 4.31Å; F689-I804 HydrophobicContact CZ-CG2 4.39Å; F796-I804 HydrophobicContact CD1-CD1 4.35Å; F796-I804 HydrophobicContact CE1-CD1 3.84Å; F796-I804 HydrophobicContact CE2-CD1 4.3Å; F796-I804 HydrophobicContact CZ-CD1 3.79Å; T800-I804 HydrophobicContact CG2-CD1 3.78Å; T800-I804 HydrophobicContact CG2-CG1 4.32Å; T800-I804 WeakPolarHBondContact O-CB 3.39Å; T800-I804 VanDerWaalsContact O-CG1 3.3Å; T800-I804 WeakPolarHBondContact O-CG1 3.28Å; T800-I804 PolarHBondContact O-N 2.96Å; M801-I804 HydrophobicContact CE-CB 4.08Å; M801-I804 HydrophobicContact CE-CG2 3.95Å; I804-Y806 VanDerWaalsContact C-N 3.28Å; I804-Y806 PolarHBondContact O-N 2.94Å; I804-Y807 PolarHBondContact O-N 3.45Å; I804-L808 HydrophobicContact CG2-CD1 3.75Å; I804-L808 HydrophobicContact CG2-CG 4.37Å; I804-L808 VanDerWaalsContact O-CG 3.32Å; I804-L808 WeakPolarHBondContact O-CG 3.11Å; I804-L808 PolarHBondContact O-N 3.13Å
805	S	98.6	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.5	-40.2	179.7	-58.3	0	0	0	0	111.6	M801 Q802 A803 C809	M801-S805 WeakPolarHBondContact CE-OG 3.5Å; M801-S805 WeakPolarHBondContact O-CB 3.36Å; M801-S805 PolarHBondContact O-N 3.38Å; M801-S805 PolarHBondContact O-OG 3.35Å; Q802-S805 PolarHBondContact O-N 3Å; A803-S805 VanDerWaalsContact C-N 3.32Å; A803-S805 PolarHBondContact O-N 3.21Å; S805-C809 PolarHBondContact O-SG 2.81Å
806	Y	98.6	Very high	97	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-71.8	-40.5	177.5	-172.7	-144	0	0	0	112.8	L427 P429 G755 L772 S774 Q802 A803 I804 C809 H810	L427-Y806 HydrophobicContact CB-CD1 3.78Å; L427-Y806 HydrophobicContact CB-CE1 4.07Å; L427-Y806 HydrophobicContact CD1-CD1 4.28Å; P429-Y806 HydrophobicContact CB-CE1 4.28Å; G755-Y806 PolarHBondContact N-OH 3.11Å; L772-Y806 HydrophobicContact CD1-CD2 4.31Å; L772-Y806 HydrophobicContact CD1-CG 4.37Å; L772-Y806 HydrophobicContact CD2-CD2 4.44Å; L772-Y806 HydrophobicContact CD2-CG 4.5Å; S774-Y806 WeakPolarHBondContact O-CE2 3.43Å; Q802-Y806 WeakPolarHBondContact O-CB 3.43Å; Q802-Y806 PolarHBondContact O-N 3.06Å; A803-Y806 PolarHBondContact O-N 2.86Å; A803-Y806 VanDerWaalsContact O-N 3.16Å; I804-Y806 VanDerWaalsContact C-N 3.28Å; I804-Y806 PolarHBondContact O-N 2.94Å; Y806-C809 VanDerWaalsContact O-CB 3.3Å; Y806-C809 WeakPolarHBondContact O-CB 3.33Å; Y806-C809 PolarHBondContact O-N 3.34Å; Y806-C809 VanDerWaalsContact O-N 3.16Å; Y806-H810 AromaticContact CD2-CE1 3.66Å; Y806-H810 AromaticContact CE2-CE1 3.31Å; Y806-H810 WeakPolarHBondContact CE2-CE1 3.34Å; Y806-H810 AromaticContact CE2-NE2 3.96Å; Y806-H810 AromaticContact CZ-CE1 3.49Å; Y806-H810 VanDerWaalsContact CZ-CE1 3.49Å; Y806-H810 AromaticContact CZ-NE2 3.91Å; Y806-H810 PolarHBondContact O-CE1 3.44Å; Y806-H810 VanDerWaalsContact O-CE1 3.31Å; Y806-H810 PolarHBondContact O-ND1 2.86Å
807	Y	97.9	Very high	96.9	Very high	24 Å²	24	18.4 Å²	18.4	9%	0.094	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-42.5	-177	-79.1	25.1	0	0	0	110.8	P430 L598 F603 V604 A803 I804 C809 H810	P430-Y807 HydrophobicContact CB-CD1 3.8Å; P430-Y807 HydrophobicContact CB-CD2 3.71Å; P430-Y807 HydrophobicContact CB-CE1 3.89Å; P430-Y807 HydrophobicContact CB-CE2 3.8Å; P430-Y807 HydrophobicContact CB-CG 3.7Å; P430-Y807 HydrophobicContact CG-CD1 3.98Å; P430-Y807 HydrophobicContact CG-CE1 4.37Å; P430-Y807 HydrophobicContact CG-CG 4.06Å; L598-Y807 HydrophobicContact CD1-CD2 4.47Å; F603-Y807 HydrophobicContact CD1-CD2 4.09Å; F603-Y807 AromaticContact CD1-CE2 3.68Å; F603-Y807 HydrophobicContact CD1-CE2 3.68Å; F603-Y807 HydrophobicContact CE1-CD2 4.11Å; F603-Y807 HydrophobicContact CE1-CE2 4.06Å; V604-Y807 HydrophobicContact CG2-CD2 3.85Å; V604-Y807 HydrophobicContact CG2-CE2 3.87Å; A803-Y807 WeakPolarHBondContact O-CB 3.5Å; A803-Y807 WeakPolarHBondContact O-CD1 3.28Å; A803-Y807 PolarHBondContact O-N 3.14Å; I804-Y807 PolarHBondContact O-N 3.45Å; Y807-C809 PolarHBondContact O-N 2.94Å; Y807-C809 VanDerWaalsContact O-N 3.13Å; Y807-H810 WeakPolarHBondContact O-CB 3.45Å; Y807-H810 PolarHBondContact O-N 3.25Å
808	L	97.9	Very high	96.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.7	176.4	-67.4	171.6	0	0	0	113.5	V615 F689 I804 H810 V811 P822 A823	V615-L808 HydrophobicContact CG1-CD1 3.73Å; V615-L808 HydrophobicContact CG1-CD2 4.48Å; F689-L808 HydrophobicContact CD2-CD1 4.41Å; F689-L808 HydrophobicContact CE2-CD1 3.5Å; F689-L808 HydrophobicContact CZ-CD1 3.98Å; I804-L808 HydrophobicContact CG2-CD1 3.75Å; I804-L808 HydrophobicContact CG2-CG 4.37Å; I804-L808 VanDerWaalsContact O-CG 3.32Å; I804-L808 WeakPolarHBondContact O-CG 3.11Å; I804-L808 PolarHBondContact O-N 3.13Å; L808-H810 PolarHBondContact O-N 2.88Å; L808-V811 HydrophobicContact CD2-CG2 4.41Å; L808-V811 WeakPolarHBondContact O-CG2 3.48Å; L808-P822 HydrophobicContact CB-CB 3.86Å; L808-A823 VanDerWaalsContact O-CB 3.32Å; L808-A823 WeakPolarHBondContact O-CB 3.27Å; L808-A823 PolarHBondContact O-N 2.78Å
809	C	98.1	Very high	96.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.2	170.9	-68.6	0	0	0	0	113.4	S774 S805 Y806 Y807 S818 V819	S774-C809 VanDerWaalsContact CB-SG 3.59Å; S774-C809 PolarHBondContact OG-SG 3.36Å; S805-C809 PolarHBondContact O-SG 2.81Å; Y806-C809 VanDerWaalsContact O-CB 3.3Å; Y806-C809 WeakPolarHBondContact O-CB 3.33Å; Y806-C809 PolarHBondContact O-N 3.34Å; Y806-C809 VanDerWaalsContact O-N 3.16Å; Y807-C809 PolarHBondContact O-N 2.94Å; Y807-C809 VanDerWaalsContact O-N 3.13Å; C809-S818 WeakPolarHBondContact CB-OG 3.3Å; C809-S818 WeakPolarHBondContact O-CA 3.36Å; C809-V819 HydrophobicContact CB-CG2 4.37Å; C809-V819 WeakPolarHBondContact CB-O 3.32Å; C809-V819 VanDerWaalsContact O-CG2 3.25Å; C809-V819 WeakPolarHBondContact O-CG2 3.4Å; C809-V819 PolarHBondContact O-N 3.26Å; C809-V819 PolarHBondContact SG-O 3.24Å
810	H	97.4	Very high	96.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-96.9	-13.3	-178	-61.9	79.2	0	0	0	113.8	P430 L432 W450 Y806 Y807 L808 Y812 S818	P430-H810 WeakPolarHBondContact CD-CE1 3.1Å; P430-H810 WeakPolarHBondContact CD-ND1 3.38Å; P430-H810 HydrophobicContact CG-CB 3.87Å; L432-H810 HydrophobicContact CD2-CB 4.03Å; W450-H810 HydrophobicContact CH2-CB 4.31Å; W450-H810 WeakPolarHBondContact CH2-O 3.23Å; W450-H810 AromaticContact CZ3-CD2 3.8Å; Y806-H810 AromaticContact CD2-CE1 3.66Å; Y806-H810 AromaticContact CE2-CE1 3.31Å; Y806-H810 WeakPolarHBondContact CE2-CE1 3.34Å; Y806-H810 AromaticContact CE2-NE2 3.96Å; Y806-H810 AromaticContact CZ-CE1 3.49Å; Y806-H810 VanDerWaalsContact CZ-CE1 3.49Å; Y806-H810 AromaticContact CZ-NE2 3.91Å; Y806-H810 PolarHBondContact O-CE1 3.44Å; Y806-H810 VanDerWaalsContact O-CE1 3.31Å; Y806-H810 PolarHBondContact O-ND1 2.86Å; Y807-H810 WeakPolarHBondContact O-CB 3.45Å; Y807-H810 PolarHBondContact O-N 3.25Å; L808-H810 PolarHBondContact O-N 2.88Å; H810-Y812 VanDerWaalsContact C-N 3.32Å; H810-S818 PolarHBondContact CE1-OG 2.82Å; H810-S818 VanDerWaalsContact CE1-OG 3.22Å; H810-S818 PolarHBondContact ND1-OG 3.06Å; H810-S818 WeakPolarHBondContact NE2-CB 3.47Å; H810-S818 PolarHBondContact NE2-OG 2.81Å
811	V	95.3	Very high	96.7	Very high	7 Å²	7	14.7 Å²	14.7	4%	0.042	7%	0.07	C	C	.	.			trans	-92	10.4	179	-58.9	0	0	0	0	113.3	L598 L808 G813 A823	L598-V811 HydrophobicContact CD1-CG1 4.28Å; L598-V811 HydrophobicContact CD2-CG1 3.87Å; L598-V811 HydrophobicContact CG-CG1 3.67Å; L808-V811 HydrophobicContact CD2-CG2 4.41Å; L808-V811 WeakPolarHBondContact O-CG2 3.48Å; V811-G813 PolarHBondContact O-N 2.88Å; V811-A823 HydrophobicContact CG2-CB 3.76Å
812	Y	95.3	Very high	96.7	Very high	21 Å²	21	14.7 Å²	14.7	8%	0.082	7%	0.07	C	C	.	.			trans	-72.8	90.7	171.7	-179.3	-107	0	0	0	110.5	H810 R814 V819 Y826 F827 L830	H810-Y812 VanDerWaalsContact C-N 3.32Å; Y812-R814 HydrophobicContact CD1-CB 4.13Å; Y812-R814 HydrophobicContact CE1-CB 3.57Å; Y812-R814 HydrophobicContact CE1-CG 4.36Å; Y812-R814 HydrophobicContact CE2-CB 4.45Å; Y812-R814 HydrophobicContact CE2-CG 4.41Å; Y812-R814 PolarHBondContact O-N 2.84Å; Y812-R814 VanDerWaalsContact OH-CD 3.29Å; Y812-R814 WeakPolarHBondContact OH-CD 3.47Å; Y812-R814 PolarHBondContact OH-NE 3.39Å; Y812-V819 HydrophobicContact CD1-CB 4.42Å; Y812-V819 HydrophobicContact CD1-CG1 3.27Å; Y812-V819 HydrophobicContact CD1-CG2 4.39Å; Y812-V819 HydrophobicContact CE1-CG1 3.81Å; Y812-V819 HydrophobicContact CG-CG1 3.78Å; Y812-V819 HydrophobicContact CG-CG2 4.03Å; Y812-Y826 HydrophobicContact CD2-CG 4.34Å; Y812-Y826 HydrophobicContact CE2-CD1 4.28Å; Y812-Y826 HydrophobicContact CE2-CG 4.1Å; Y812-F827 HydrophobicContact CD2-CD1 4.01Å; Y812-F827 AromaticContact CD2-CE1 3.38Å; Y812-F827 HydrophobicContact CD2-CE1 3.38Å; Y812-F827 AromaticContact CD2-CZ 3.98Å; Y812-F827 HydrophobicContact CD2-CZ 3.98Å; Y812-F827 HydrophobicContact CE2-CD1 4.02Å; Y812-F827 AromaticContact CE2-CE1 3.68Å; Y812-F827 HydrophobicContact CE2-CE1 3.68Å; Y812-F827 HydrophobicContact CG-CE1 4.46Å; Y812-L830 HydrophobicContact CE2-CD1 4.08Å
813	G	91.8	Very high	96.7	Very high	6 Å²	6	14.7 Å²	14.7	6%	0.062	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	3.4	-168.7	0	0	0	0	0	117.2	M589 N595 V811	M589-G813 VanDerWaalsContact SD-CA 3.53Å; N595-G813 PolarHBondContact ND2-O 2.96Å; V811-G813 PolarHBondContact O-N 2.88Å
814	R	93.5	Very high	96.6	Very high	70 Å²	70	14 Å²	14	26%	0.264	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.4	178	-70.8	-178.1	53.4	173.8	-0.2	114.4	K586 Y812 I880	K586-R814 HydrophobicContact CG-CG 4.3Å; Y812-R814 HydrophobicContact CD1-CB 4.13Å; Y812-R814 HydrophobicContact CE1-CB 3.57Å; Y812-R814 HydrophobicContact CE1-CG 4.36Å; Y812-R814 HydrophobicContact CE2-CB 4.45Å; Y812-R814 HydrophobicContact CE2-CG 4.41Å; Y812-R814 PolarHBondContact O-N 2.84Å; Y812-R814 VanDerWaalsContact OH-CD 3.29Å; Y812-R814 WeakPolarHBondContact OH-CD 3.47Å; Y812-R814 PolarHBondContact OH-NE 3.39Å; R814-I880 HydrophobicContact CG-CD1 3.98Å; R814-I880 HydrophobicContact CG-CG2 3.74Å; R814-I880 PolarHBondContact NH1-O 2.65Å
815	C	93.5	Very high	96.5	Very high	30 Å²	30	14 Å²	14	20%	0.203	6%	0.064	C	C	.	.	S	Bend	trans	-154.4	162.5	176.5	59.3	0	0	0	0	111.4	R817	C815-R817 PolarHBondContact O-N 3.23Å
816	M	94.3	Very high	96.4	Very high	18 Å²	18	16.5 Å²	16.5	9%	0.089	7%	0.074	C	C	.	.	S	Bend	trans	-88.8	48.1	173	-61	168.9	-77.5	0	0	111	W450 M452 M578 T581 L585	W450-M816 HydrophobicContact CD2-CB 4.31Å; W450-M816 HydrophobicContact CG-CB 4.33Å; W450-M816 PolarHBondContact N-O 3.36Å; W450-M816 VanDerWaalsContact N-O 3.15Å; W450-M816 WeakPolarHBondContact O-CB 3.25Å; M452-M816 HydrophobicContact CB-SD 4.02Å; M452-M816 HydrophobicContact CG-CG 4.26Å; M452-M816 HydrophobicContact CG-SD 3.65Å; M452-M816 HydrophobicContact SD-CG 4.5Å; M452-M816 HydrophobicContact SD-SD 4.19Å; M578-M816 HydrophobicContact CE-CE 4.29Å; M578-M816 HydrophobicContact SD-CE 3.89Å; T581-M816 HydrophobicContact CG2-CE 4.16Å; L585-M816 HydrophobicContact CD1-CG 4.38Å
817	R	96.2	Very high	96.4	Very high	89 Å²	89	16.4 Å²	16.4	34%	0.336	7%	0.074	S	C	.	.	B	Isolated β-bridge	trans	-144.5	146.1	-175.8	-52.9	-177.4	73.3	121.7	5.7	110.5	G448 T449 W450 C815 V819	G448-R817 CarbonylContact O-C 3.47Å; G448-R817 VanDerWaalsContact O-CA 3.3Å; G448-R817 WeakPolarHBondContact O-CA 3.39Å; T449-R817 HydrophobicContact CG2-CG 4.16Å; W450-R817 VanDerWaalsContact CH2-N 3.35Å; W450-R817 VanDerWaalsContact CZ3-CA 3.46Å; C815-R817 PolarHBondContact O-N 3.23Å; R817-V819 PolarHBondContact O-N 2.79Å
818	S	97.8	Very high	96.3	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.028	7%	0.069	C	C	.	.			trans	-70.3	127.8	167.8	-163.7	0	0	0	0	109	G448 W450 S774 H775 C809 H810	G448-S818 PolarHBondContact O-N 2.76Å; W450-S818 VanDerWaalsContact CZ3-N 3.32Å; S774-S818 WeakPolarHBondContact O-CB 3.48Å; S774-S818 PolarHBondContact O-OG 2.73Å; H775-S818 WeakPolarHBondContact CB-O 3.35Å; C809-S818 WeakPolarHBondContact CB-OG 3.3Å; C809-S818 WeakPolarHBondContact O-CA 3.36Å; H810-S818 PolarHBondContact CE1-OG 2.82Å; H810-S818 VanDerWaalsContact CE1-OG 3.22Å; H810-S818 PolarHBondContact ND1-OG 3.06Å; H810-S818 WeakPolarHBondContact NE2-CB 3.47Å; H810-S818 PolarHBondContact NE2-OG 2.81Å
819	V	97.3	Very high	96	Very high	14 Å²	14	18.5 Å²	18.5	9%	0.085	8%	0.084	C	C	.	.			trans	-90.2	167.3	-179.4	-73.3	0	0	0	0	111.9	S774 C809 Y812 R817 I821 Y826	S774-V819 WeakPolarHBondContact CB-O 3.44Å; S774-V819 PolarHBondContact OG-O 2.82Å; C809-V819 HydrophobicContact CB-CG2 4.37Å; C809-V819 WeakPolarHBondContact CB-O 3.32Å; C809-V819 VanDerWaalsContact O-CG2 3.25Å; C809-V819 WeakPolarHBondContact O-CG2 3.4Å; C809-V819 PolarHBondContact O-N 3.26Å; C809-V819 PolarHBondContact SG-O 3.24Å; Y812-V819 HydrophobicContact CD1-CB 4.42Å; Y812-V819 HydrophobicContact CD1-CG1 3.27Å; Y812-V819 HydrophobicContact CD1-CG2 4.39Å; Y812-V819 HydrophobicContact CE1-CG1 3.81Å; Y812-V819 HydrophobicContact CG-CG1 3.78Å; Y812-V819 HydrophobicContact CG-CG2 4.03Å; R817-V819 PolarHBondContact O-N 2.79Å; V819-I821 VanDerWaalsContact C-N 3.31Å; V819-I821 WeakPolarHBondContact CG2-O 2.95Å; V819-I821 PolarHBondContact O-N 2.84Å; V819-Y826 HydrophobicContact CB-CD2 3.85Å; V819-Y826 HydrophobicContact CB-CE2 3.72Å; V819-Y826 HydrophobicContact CG1-CD2 4.39Å; V819-Y826 HydrophobicContact CG1-CE2 4.23Å; V819-Y826 HydrophobicContact CG2-CD2 3.81Å; V819-Y826 HydrophobicContact CG2-CE2 4.2Å
820	S	96.9	Very high	95.9	Very high	6 Å²	6	20 Å²	20	4%	0.042	9%	0.092	C	C	.	.	S	Bend	trans	-74.9	-13.9	-171.5	64.2	0	0	0	0	115.8	K731 S774 H775	K731-S820 VanDerWaalsContact CE-OG 3.24Å; K731-S820 WeakPolarHBondContact CE-OG 3.44Å; K731-S820 PolarHBondContact NZ-OG 2.91Å; S774-S820 VanDerWaalsContact OG-C 3.28Å; S774-S820 WeakPolarHBondContact OG-CA 3.46Å; S774-S820 PolarHBondContact OG-O 3.43Å; H775-S820 WeakPolarHBondContact ND1-CB 3.27Å
821	I	97.5	Very high	95.8	Very high	2 Å²	2	20 Å²	20	1%	0.01	9%	0.092	C	C	.	.	S	Bend	trans	-146.3	158.3	-178.7	57.1	179.8	0	0	0	107.7	V729 K731 A785 V819 V825 Y826	V729-I821 HydrophobicContact CG1-CB 4.23Å; V729-I821 HydrophobicContact CG1-CG2 3.67Å; K731-I821 HydrophobicContact CB-CG2 4.19Å; K731-I821 HydrophobicContact CD-CG2 4.18Å; A785-I821 HydrophobicContact CB-CG2 3.92Å; V819-I821 VanDerWaalsContact C-N 3.31Å; V819-I821 WeakPolarHBondContact CG2-O 2.95Å; V819-I821 PolarHBondContact O-N 2.84Å; I821-V825 HydrophobicContact CD1-CB 4.17Å; I821-V825 HydrophobicContact CD1-CG1 3.83Å; I821-V825 HydrophobicContact CG1-CB 4.49Å; I821-Y826 HydrophobicContact CD1-CD2 3.88Å; I821-Y826 HydrophobicContact CD1-CE2 4.06Å; I821-Y826 HydrophobicContact CD1-CG 4.21Å; I821-Y826 HydrophobicContact CG1-CD2 3.25Å; I821-Y826 HydrophobicContact CG1-CE2 3.48Å; I821-Y826 VanDerWaalsContact CG1-CE2 3.48Å; I821-Y826 HydrophobicContact CG1-CG 4.02Å
822	P	98.1	Very high	95.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.09	C	C	.	.			trans	-56.9	144.7	-175.7	-26.4	38.1	0	0	0	111.7	F689 Y787 L808 P824 V825 Y826	F689-P822 HydrophobicContact CD1-CG 4.01Å; F689-P822 HydrophobicContact CE1-CG 4Å; F689-P822 HydrophobicContact CG-CG 4.34Å; F689-P822 HydrophobicContact CZ-CG 4.34Å; Y787-P822 HydrophobicContact CE1-CG 3.91Å; Y787-P822 WeakPolarHBondContact OH-CD 3.29Å; L808-P822 HydrophobicContact CB-CB 3.86Å; P822-P824 VanDerWaalsContact C-N 3.33Å; P822-V825 HydrophobicContact CB-CG2 4.29Å; P822-V825 HydrophobicContact CG-CG2 4.48Å; P822-V825 WeakPolarHBondContact O-CB 3.39Å; P822-V825 PolarHBondContact O-N 3.31Å; P822-Y826 PolarHBondContact O-N 2.93Å; P822-Y826 VanDerWaalsContact O-N 3.13Å
823	A	97.5	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-51.6	-42	-179	0	0	0	0	0	114.2	L808 V811 V825 Y826 F827	L808-A823 VanDerWaalsContact O-CB 3.32Å; L808-A823 WeakPolarHBondContact O-CB 3.27Å; L808-A823 PolarHBondContact O-N 2.78Å; V811-A823 HydrophobicContact CG2-CB 3.76Å; A823-V825 VanDerWaalsContact C-N 3.29Å; A823-V825 PolarHBondContact O-N 3.01Å; A823-Y826 WeakPolarHBondContact O-CB 3.46Å; A823-Y826 PolarHBondContact O-N 3.32Å; A823-Y826 VanDerWaalsContact O-N 3.13Å; A823-F827 HydrophobicContact CB-CD2 4.31Å; A823-F827 HydrophobicContact CB-CE2 3.7Å; A823-F827 HydrophobicContact CB-CZ 3.96Å; A823-F827 WeakPolarHBondContact O-CB 3.36Å; A823-F827 WeakPolarHBondContact O-CD2 3.28Å; A823-F827 WeakPolarHBondContact O-CG 3.45Å; A823-F827 PolarHBondContact O-N 2.87Å
824	P	97.2	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57	-40.8	177.2	-20.1	28.2	0	0	0	113	V615 Y647 P822 F827 A828	V615-P824 HydrophobicContact CB-CG 4.45Å; V615-P824 HydrophobicContact CG1-CB 4.46Å; V615-P824 HydrophobicContact CG1-CG 3.65Å; Y647-P824 HydrophobicContact CE1-CB 4.05Å; Y647-P824 HydrophobicContact CE1-CG 3.69Å; P822-P824 VanDerWaalsContact C-N 3.33Å; P824-F827 PolarHBondContact O-N 3.36Å; P824-A828 PolarHBondContact O-N 3.44Å
825	V	96.8	Very high	95.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.6	-43.4	177.9	-170.6	0	0	0	0	110.6	F689 D691 V729 I821 P822 A823 F827 A828 H829	F689-V825 HydrophobicContact CB-CG2 3.37Å; F689-V825 HydrophobicContact CG-CG2 4.27Å; D691-V825 HydrophobicContact CB-CG1 3.62Å; V729-V825 HydrophobicContact CG2-CG2 4.36Å; I821-V825 HydrophobicContact CD1-CB 4.17Å; I821-V825 HydrophobicContact CD1-CG1 3.83Å; I821-V825 HydrophobicContact CG1-CB 4.49Å; P822-V825 HydrophobicContact CB-CG2 4.29Å; P822-V825 HydrophobicContact CG-CG2 4.48Å; P822-V825 WeakPolarHBondContact O-CB 3.39Å; P822-V825 PolarHBondContact O-N 3.31Å; A823-V825 VanDerWaalsContact C-N 3.29Å; A823-V825 PolarHBondContact O-N 3.01Å; V825-F827 VanDerWaalsContact C-N 3.28Å; V825-F827 PolarHBondContact O-N 2.87Å; V825-A828 PolarHBondContact O-N 3.11Å; V825-H829 PolarHBondContact O-N 3Å; V825-H829 VanDerWaalsContact O-N 3.12Å
826	Y	96.2	Very high	95.2	Very high	53 Å²	53	22 Å²	22	21%	0.208	9%	0.093	C	C	.	.	H	α-helix	trans	-61	-39.8	175	-116.6	-58.9	0	0	0	112.1	K731 Y812 V819 I821 P822 A823 L830	K731-Y826 PolarHBondContact NZ-OH 3.36Å; K731-Y826 VanDerWaalsContact NZ-OH 3.1Å; Y812-Y826 HydrophobicContact CD2-CG 4.34Å; Y812-Y826 HydrophobicContact CE2-CD1 4.28Å; Y812-Y826 HydrophobicContact CE2-CG 4.1Å; V819-Y826 HydrophobicContact CB-CD2 3.85Å; V819-Y826 HydrophobicContact CB-CE2 3.72Å; V819-Y826 HydrophobicContact CG1-CD2 4.39Å; V819-Y826 HydrophobicContact CG1-CE2 4.23Å; V819-Y826 HydrophobicContact CG2-CD2 3.81Å; V819-Y826 HydrophobicContact CG2-CE2 4.2Å; I821-Y826 HydrophobicContact CD1-CD2 3.88Å; I821-Y826 HydrophobicContact CD1-CE2 4.06Å; I821-Y826 HydrophobicContact CD1-CG 4.21Å; I821-Y826 HydrophobicContact CG1-CD2 3.25Å; I821-Y826 HydrophobicContact CG1-CE2 3.48Å; I821-Y826 VanDerWaalsContact CG1-CE2 3.48Å; I821-Y826 HydrophobicContact CG1-CG 4.02Å; P822-Y826 PolarHBondContact O-N 2.93Å; P822-Y826 VanDerWaalsContact O-N 3.13Å; A823-Y826 WeakPolarHBondContact O-CB 3.46Å; A823-Y826 PolarHBondContact O-N 3.32Å; A823-Y826 VanDerWaalsContact O-N 3.13Å; Y826-L830 WeakPolarHBondContact O-CG 3.4Å; Y826-L830 PolarHBondContact O-N 3.04Å
827	F	97.4	Very high	95	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-67.9	-39.7	177.1	-63.3	-32.2	0	0	0	112.1	M589 V637 Y647 Y812 A823 P824 V825 H829 L830 A831 M877 F879 I880	M589-F827 HydrophobicContact CE-CE1 4.27Å; M589-F827 HydrophobicContact CE-CZ 4.11Å; V637-F827 HydrophobicContact CB-CB 4.36Å; V637-F827 HydrophobicContact CG1-CB 3.78Å; V637-F827 HydrophobicContact CG1-CD2 4.42Å; V637-F827 HydrophobicContact CG2-CB 4.22Å; Y647-F827 HydrophobicContact CD1-CD2 4.15Å; Y647-F827 AromaticContact CD2-CD2 3.84Å; Y647-F827 HydrophobicContact CD2-CD2 3.84Å; Y647-F827 AromaticContact CD2-CE2 3.48Å; Y647-F827 HydrophobicContact CD2-CE2 3.48Å; Y647-F827 VanDerWaalsContact CD2-CE2 3.48Å; Y647-F827 HydrophobicContact CE2-CD2 4.31Å; Y647-F827 AromaticContact CE2-CE2 3.77Å; Y647-F827 HydrophobicContact CE2-CE2 3.77Å; Y647-F827 AromaticContact CG-CD2 3.76Å; Y647-F827 HydrophobicContact CG-CD2 3.76Å; Y647-F827 AromaticContact CG-CE2 3.92Å; Y647-F827 HydrophobicContact CG-CE2 3.92Å; Y812-F827 HydrophobicContact CD2-CD1 4.01Å; Y812-F827 AromaticContact CD2-CE1 3.38Å; Y812-F827 HydrophobicContact CD2-CE1 3.38Å; Y812-F827 AromaticContact CD2-CZ 3.98Å; Y812-F827 HydrophobicContact CD2-CZ 3.98Å; Y812-F827 HydrophobicContact CE2-CD1 4.02Å; Y812-F827 AromaticContact CE2-CE1 3.68Å; Y812-F827 HydrophobicContact CE2-CE1 3.68Å; Y812-F827 HydrophobicContact CG-CE1 4.46Å; A823-F827 HydrophobicContact CB-CD2 4.31Å; A823-F827 HydrophobicContact CB-CE2 3.7Å; A823-F827 HydrophobicContact CB-CZ 3.96Å; A823-F827 WeakPolarHBondContact O-CB 3.36Å; A823-F827 WeakPolarHBondContact O-CD2 3.28Å; A823-F827 WeakPolarHBondContact O-CG 3.45Å; A823-F827 PolarHBondContact O-N 2.87Å; P824-F827 PolarHBondContact O-N 3.36Å; V825-F827 VanDerWaalsContact C-N 3.28Å; V825-F827 PolarHBondContact O-N 2.87Å; F827-H829 PolarHBondContact O-N 2.88Å; F827-L830 HydrophobicContact CD1-CD1 4.37Å; F827-L830 PolarHBondContact O-N 3.24Å; F827-L830 VanDerWaalsContact O-N 3.16Å; F827-A831 WeakPolarHBondContact O-CB 3.25Å; F827-A831 PolarHBondContact O-N 3.37Å; F827-M877 HydrophobicContact CD1-CE 4.25Å; F827-M877 HydrophobicContact CD2-CE 4.09Å; F827-M877 HydrophobicContact CE1-CE 3.95Å; F827-M877 HydrophobicContact CE2-CE 3.79Å; F827-M877 HydrophobicContact CG-CE 4.33Å; F827-M877 HydrophobicContact CZ-CE 3.71Å; F827-F879 HydrophobicContact CB-CD2 4.46Å; F827-F879 HydrophobicContact CB-CE2 3.71Å; F827-F879 HydrophobicContact CB-CZ 4.36Å; F827-F879 HydrophobicContact CD1-CE2 4.09Å; F827-F879 AromaticContact CG-CE2 3.98Å; F827-F879 HydrophobicContact CG-CE2 3.98Å; F827-I880 HydrophobicContact CD1-CD1 3.71Å; F827-I880 HydrophobicContact CE1-CD1 3.54Å
828	A	95.6	Very high	94.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.9	-46.1	174.7	0	0	0	0	0	111.5	D619 V637 P824 V825 L830 A831 C832	D619-A828 HydrophobicContact CB-CB 3.77Å; V637-A828 HydrophobicContact CB-CB 4.4Å; V637-A828 HydrophobicContact CG2-CB 4.1Å; P824-A828 PolarHBondContact O-N 3.44Å; V825-A828 PolarHBondContact O-N 3.11Å; A828-L830 VanDerWaalsContact C-N 3.35Å; A828-L830 PolarHBondContact O-N 3.28Å; A828-A831 WeakPolarHBondContact O-CB 3.25Å; A828-A831 PolarHBondContact O-N 3.2Å; A828-A831 VanDerWaalsContact O-N 3.17Å; A828-C832 PolarHBondContact O-N 2.5Å
829	H	93	Very high	94.2	Very high	67 Å²	67	17.5 Å²	17.5	31%	0.31	8%	0.076	S	C	.	.	H	α-helix	trans	-62.3	-39.5	174.6	-176.9	-177.1	0	0	0	112.4	D619 V825 F827 A831 C832 Y833	D619-H829 WeakPolarHBondContact OD2-CA 3.47Å; V825-H829 PolarHBondContact O-N 3Å; V825-H829 VanDerWaalsContact O-N 3.12Å; F827-H829 PolarHBondContact O-N 2.88Å; H829-A831 VanDerWaalsContact C-N 3.35Å; H829-C832 PolarHBondContact O-N 3.33Å; H829-Y833 WeakPolarHBondContact O-CB 3.21Å; H829-Y833 PolarHBondContact O-N 3.45Å
830	L	95	Very high	93.5	Very high	31 Å²	31	18 Å²	18	16%	0.162	8%	0.077	C	C	.	.	H	α-helix	trans	-64.6	-38.3	174.6	-70.7	177.6	0	0	0	112.7	Y812 Y826 F827 A828 Y833 R834 F879 I880	Y812-L830 HydrophobicContact CE2-CD1 4.08Å; Y826-L830 WeakPolarHBondContact O-CG 3.4Å; Y826-L830 PolarHBondContact O-N 3.04Å; F827-L830 HydrophobicContact CD1-CD1 4.37Å; F827-L830 PolarHBondContact O-N 3.24Å; F827-L830 VanDerWaalsContact O-N 3.16Å; A828-L830 VanDerWaalsContact C-N 3.35Å; A828-L830 PolarHBondContact O-N 3.28Å; L830-Y833 PolarHBondContact O-N 3.21Å; L830-R834 WeakPolarHBondContact O-CB 3.41Å; L830-R834 PolarHBondContact O-N 2.75Å; L830-F879 HydrophobicContact CB-CD2 4.26Å; L830-I880 HydrophobicContact CD1-CD1 4.13Å
831	A	95.4	Very high	92.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.3	-49.8	175.8	0	0	0	0	0	111	A635 V637 A649 I651 F827 A828 H829 Y833 R834 S835 F879	A635-A831 HydrophobicContact CB-CB 3.92Å; V637-A831 HydrophobicContact CG2-CB 4.36Å; A649-A831 HydrophobicContact CB-CB 3.84Å; I651-A831 HydrophobicContact CD1-CB 3.89Å; I651-A831 HydrophobicContact CG1-CB 4.41Å; F827-A831 WeakPolarHBondContact O-CB 3.25Å; F827-A831 PolarHBondContact O-N 3.37Å; A828-A831 WeakPolarHBondContact O-CB 3.25Å; A828-A831 PolarHBondContact O-N 3.2Å; A828-A831 VanDerWaalsContact O-N 3.17Å; H829-A831 VanDerWaalsContact C-N 3.35Å; A831-Y833 VanDerWaalsContact C-N 3.34Å; A831-Y833 PolarHBondContact O-N 3.05Å; A831-R834 PolarHBondContact O-N 3.41Å; A831-R834 VanDerWaalsContact O-N 3.15Å; A831-S835 PolarHBondContact O-N 3.07Å; A831-S835 PolarHBondContact O-OG 2.79Å; A831-F879 HydrophobicContact CB-CB 4.28Å; A831-F879 HydrophobicContact CB-CD1 4.32Å; A831-F879 HydrophobicContact CB-CG 4.21Å
832	C	92.3	Very high	91.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-54.4	-47.8	173.2	-76.7	0	0	0	0	112.3	T621 A635 A828 H829 R834 S835 R836	T621-C832 WeakPolarHBondContact OG1-CB 3.29Å; A635-C832 WeakPolarHBondContact CB-SG 3.39Å; A828-C832 PolarHBondContact O-N 2.5Å; H829-C832 PolarHBondContact O-N 3.33Å; C832-R834 PolarHBondContact O-N 3.19Å; C832-S835 PolarHBondContact O-N 3.44Å; C832-R836 PolarHBondContact O-N 3.25Å
833	Y	90.8	Very high	90.4	Very high	133 Å²	133	26.3 Å²	26.3	52%	0.522	12%	0.121	S	C	.	.	H	α-helix	trans	-63.6	-42.1	178.4	-172.1	-93.5	0	0	0	111.5	H829 L830 A831 S835 R836 N837	H829-Y833 WeakPolarHBondContact O-CB 3.21Å; H829-Y833 PolarHBondContact O-N 3.45Å; L830-Y833 PolarHBondContact O-N 3.21Å; A831-Y833 VanDerWaalsContact C-N 3.34Å; A831-Y833 PolarHBondContact O-N 3.05Å; Y833-S835 PolarHBondContact O-N 3.13Å; Y833-R836 WeakPolarHBondContact O-CB 3.15Å; Y833-R836 PolarHBondContact O-N 3.21Å; Y833-N837 VanDerWaalsContact CD1-ND2 3.3Å; Y833-N837 WeakPolarHBondContact CD1-ND2 3.41Å; Y833-N837 WeakPolarHBondContact CE1-ND2 3.32Å; Y833-N837 PolarHBondContact O-N 3.11Å; Y833-N837 PolarHBondContact O-ND2 3.23Å
834	R	93.4	Very high	88.3	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-46.6	177.3	-179.1	60.7	67.3	74.4	17.7	111.2	Y545 D553 L830 A831 C832 R836 N837 H838 Y878 F879 I880	Y545-R834 PolarHBondContact OH-NE 2.87Å; D553-R834 IonicContact OD1-NH1 2.81Å; D553-R834 WeakPolarHBondContact OD2-CD 3.35Å; D553-R834 IonicContact OD2-CZ 2.71Å; D553-R834 IonicContact OD2-NH1 2.66Å; D553-R834 PolarHBondContact OD2-NH1 3.28Å; L830-R834 WeakPolarHBondContact O-CB 3.41Å; L830-R834 PolarHBondContact O-N 2.75Å; A831-R834 PolarHBondContact O-N 3.41Å; A831-R834 VanDerWaalsContact O-N 3.15Å; C832-R834 PolarHBondContact O-N 3.19Å; R834-R836 VanDerWaalsContact C-N 3.31Å; R834-R836 PolarHBondContact O-N 3.12Å; R834-N837 WeakPolarHBondContact O-CA 3.43Å; R834-N837 WeakPolarHBondContact O-CB 3.44Å; R834-N837 PolarHBondContact O-N 2.86Å; R834-H838 PolarHBondContact O-N 2.85Å; R834-H838 VanDerWaalsContact O-N 3.16Å; R834-Y878 HydrophobicContact CG-CD2 4.12Å; R834-Y878 HydrophobicContact CG-CE2 3.68Å; R834-Y878 PolarHBondContact NH1-O 2.83Å; R834-Y878 PolarHBondContact NH2-O 2.81Å; R834-F879 HydrophobicContact CB-CB 4.34Å; R834-F879 VanDerWaalsContact NH2-C 3.26Å; R834-F879 PolarHBondContact NH2-O 3.2Å; R834-I880 PolarHBondContact NH2-OXT 3.2Å
835	S	92.4	Very high	85.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-32.8	178.5	-67.5	0	0	0	0	113.2	I651 A831 C832 Y833 N837 H838 C839	I651-S835 WeakPolarHBondContact CD1-OG 3.42Å; I651-S835 WeakPolarHBondContact CG2-OG 3.36Å; A831-S835 PolarHBondContact O-N 3.07Å; A831-S835 PolarHBondContact O-OG 2.79Å; C832-S835 PolarHBondContact O-N 3.44Å; Y833-S835 PolarHBondContact O-N 3.13Å; S835-N837 VanDerWaalsContact C-N 3.26Å; S835-N837 PolarHBondContact O-N 3.26Å; S835-H838 WeakPolarHBondContact O-CB 3.49Å; S835-H838 PolarHBondContact O-N 3.1Å; S835-H838 VanDerWaalsContact O-N 3.07Å; S835-C839 PolarHBondContact O-N 2.96Å; S835-C839 PolarHBondContact O-SG 2.93Å
836	R	88.8	Confident	83.2	Confident	41 Å²	41	33 Å²	33	16%	0.155	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-38.6	170.1	-172.8	63.8	64	-172	0.8	112.1	T621 P631 I633 C832 Y833 R834 H838 C839	T621-R836 PolarHBondContact O-NH2 2.92Å; T621-R836 VanDerWaalsContact O-NH2 3.12Å; P631-R836 VanDerWaalsContact O-CZ 3.27Å; P631-R836 PolarHBondContact O-NH1 3.29Å; P631-R836 PolarHBondContact O-NH2 2.92Å; I633-R836 HydrophobicContact CD1-CB 4.16Å; C832-R836 PolarHBondContact O-N 3.25Å; Y833-R836 WeakPolarHBondContact O-CB 3.15Å; Y833-R836 PolarHBondContact O-N 3.21Å; R834-R836 VanDerWaalsContact C-N 3.31Å; R834-R836 PolarHBondContact O-N 3.12Å; R836-H838 VanDerWaalsContact C-N 3.32Å; R836-C839 PolarHBondContact O-N 3.26Å
837	N	89.2	Confident	80.6	Confident	15 Å²	15	37.8 Å²	37.8	8%	0.08	20%	0.203	C	C	.	.	H	α-helix	trans	-68.2	-32	175.3	-67.9	-83.4	0	0	0	111.8	Y545 S546 Y833 R834 S835 C839 Y840	Y545-N837 HydrophobicContact CE1-CB 4.45Å; S546-N837 PolarHBondContact OG-OD1 3.05Å; Y833-N837 VanDerWaalsContact CD1-ND2 3.3Å; Y833-N837 WeakPolarHBondContact CD1-ND2 3.41Å; Y833-N837 WeakPolarHBondContact CE1-ND2 3.32Å; Y833-N837 PolarHBondContact O-N 3.11Å; Y833-N837 PolarHBondContact O-ND2 3.23Å; R834-N837 WeakPolarHBondContact O-CA 3.43Å; R834-N837 WeakPolarHBondContact O-CB 3.44Å; R834-N837 PolarHBondContact O-N 2.86Å; S835-N837 VanDerWaalsContact C-N 3.26Å; S835-N837 PolarHBondContact O-N 3.26Å; N837-C839 VanDerWaalsContact C-N 3.3Å; N837-C839 PolarHBondContact O-N 3.32Å; N837-Y840 WeakPolarHBondContact O-CB 3.43Å; N837-Y840 VanDerWaalsContact O-CD1 3.24Å; N837-Y840 WeakPolarHBondContact O-CD1 3.4Å; N837-Y840 PolarHBondContact O-N 3.24Å
838	H	91.7	Very high	77.5	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-33.5	175.6	-56.1	155	0	0	0	112.5	D553 V554 R834 S835 R836 Y840 A866	D553-H838 WeakPolarHBondContact CB-NE2 3.3Å; D553-H838 IonicContact OD2-CE1 3.74Å; D553-H838 IonicContact OD2-NE2 3.85Å; D553-H838 PolarHBondContact OD2-NE2 3.39Å; V554-H838 HydrophobicContact CG2-CB 4.19Å; R834-H838 PolarHBondContact O-N 2.85Å; R834-H838 VanDerWaalsContact O-N 3.16Å; S835-H838 WeakPolarHBondContact O-CB 3.49Å; S835-H838 PolarHBondContact O-N 3.1Å; S835-H838 VanDerWaalsContact O-N 3.07Å; R836-H838 VanDerWaalsContact C-N 3.32Å; H838-Y840 VanDerWaalsContact C-N 3.32Å; H838-Y840 PolarHBondContact O-N 2.75Å; H838-A866 WeakPolarHBondContact CB-O 3.44Å
839	C	86.3	Confident	74.3	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.007	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	9.3	178.7	-56.8	0	0	0	0	114.7	S835 R836 N837 L841 L842 T843 F863 V867	S835-C839 PolarHBondContact O-N 2.96Å; S835-C839 PolarHBondContact O-SG 2.93Å; R836-C839 PolarHBondContact O-N 3.26Å; N837-C839 VanDerWaalsContact C-N 3.3Å; N837-C839 PolarHBondContact O-N 3.32Å; C839-L841 VanDerWaalsContact C-N 3.3Å; C839-L841 PolarHBondContact O-N 3.4Å; C839-L842 PolarHBondContact O-N 3.38Å; C839-L842 VanDerWaalsContact O-N 3.1Å; C839-T843 HydrophobicContact CB-CG2 4.2Å; C839-T843 PolarHBondContact O-N 2.84Å; C839-T843 PolarHBondContact O-OG1 3.08Å; C839-F863 HydrophobicContact CB-CD1 4.13Å; C839-F863 HydrophobicContact CB-CE1 4.27Å; C839-V867 WeakPolarHBondContact SG-CG1 3.41Å
840	Y	82.1	Confident	71.1	Confident	24 Å²	24	50.3 Å²	50.3	9%	0.094	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34	-168.1	88.7	-81	0	0	0	113.7	S546 E547 R550 N837 H838 T843 G844 S845	S546-Y840 VanDerWaalsContact CB-CD1 3.41Å; S546-Y840 VanDerWaalsContact CB-CG 3.46Å; E547-Y840 HydrophobicContact CB-CE1 4.17Å; E547-Y840 WeakPolarHBondContact CB-OH 3.38Å; E547-Y840 WeakPolarHBondContact OE2-CE1 3.47Å; E547-Y840 PolarHBondContact OE2-OH 3.26Å; R550-Y840 HydrophobicContact CB-CE1 4.47Å; N837-Y840 WeakPolarHBondContact O-CB 3.43Å; N837-Y840 VanDerWaalsContact O-CD1 3.24Å; N837-Y840 WeakPolarHBondContact O-CD1 3.4Å; N837-Y840 PolarHBondContact O-N 3.24Å; H838-Y840 VanDerWaalsContact C-N 3.32Å; H838-Y840 PolarHBondContact O-N 2.75Å; Y840-T843 PolarHBondContact O-OG1 3.36Å; Y840-G844 PolarHBondContact O-N 3.16Å; Y840-S845 PolarHBondContact O-N 3.04Å
841	L	79.8	Confident	67.8	Low	102 Å²	102	51.3 Å²	51.3	53%	0.534	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-38.5	175.7	-71.3	175.8	0	0	0	112.5	C839	C839-L841 VanDerWaalsContact C-N 3.3Å; C839-L841 PolarHBondContact O-N 3.4Å
842	L	78.3	Confident	64.6	Low	60 Å²	60	56.6 Å²	56.6	31%	0.314	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-33.7	-179.3	-61.5	176	0	0	0	111.9	C839 E862 F863 A866	C839-L842 PolarHBondContact O-N 3.38Å; C839-L842 VanDerWaalsContact O-N 3.1Å; L842-E862 HydrophobicContact CD1-CB 4.26Å; L842-F863 HydrophobicContact CB-CD1 4.14Å; L842-F863 HydrophobicContact CB-CE1 3.51Å; L842-F863 HydrophobicContact CB-CZ 4Å; L842-F863 HydrophobicContact CD1-CD1 3.68Å; L842-F863 HydrophobicContact CD1-CE1 3.94Å; L842-F863 HydrophobicContact CD1-CG 4.2Å; L842-F863 HydrophobicContact CG-CE1 4.39Å; L842-A866 HydrophobicContact CD1-CB 3.79Å
843	T	68.5	Low	61.8	Low	21 Å²	21	64 Å²	64	13%	0.129	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-3.9	-175.8	54.8	0	0	0	0	113.7	S630 C839 Y840 S845 F863	S630-T843 VanDerWaalsContact OG-CB 3.24Å; S630-T843 WeakPolarHBondContact OG-CB 3.37Å; S630-T843 WeakPolarHBondContact OG-CG2 3.32Å; C839-T843 HydrophobicContact CB-CG2 4.2Å; C839-T843 PolarHBondContact O-N 2.84Å; C839-T843 PolarHBondContact O-OG1 3.08Å; Y840-T843 PolarHBondContact O-OG1 3.36Å; T843-S845 PolarHBondContact O-N 3.14Å; T843-S845 PolarHBondContact O-OG 3.28Å; T843-F863 HydrophobicContact CG2-CE1 3.66Å; T843-F863 HydrophobicContact CG2-CZ 4.2Å
844	G	55.2	Low	59	Low	41 Å²	41	64.7 Å²	64.7	42%	0.423	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	12.4	-176	0	0	0	0	0	114.3	Y840 S846	Y840-G844 PolarHBondContact O-N 3.16Å; G844-S846 PolarHBondContact O-N 3.06Å
845	S	46.3	Very low	56.1	Low	69 Å²	69	73.7 Å²	73.7	48%	0.483	41%	0.405	S	S	.	.			trans	-88.7	61.2	-172.1	-73.3	0	0	0	0	111.5	Y840 T843	Y840-S845 PolarHBondContact O-N 3.04Å; T843-S845 PolarHBondContact O-N 3.14Å; T843-S845 PolarHBondContact O-OG 3.28Å
846	S	40	Very low	53.5	Low	29 Å²	29	80.5 Å²	80.5	20%	0.203	44%	0.435	C	S	.	.	S	Bend	trans	-108.5	124.1	142.4	-49.1	0	0	0	0	104.7	G844 D848 S849	G844-S846 PolarHBondContact O-N 3.06Å; S846-D848 PolarHBondContact O-N 3.07Å; S846-S849 PolarHBondContact O-N 3.11Å
847	D	41.5	Very low	51.3	Low	155 Å²	155	86.6 Å²	86.6	83%	0.829	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	0.7	-173.3	-79.8	-37.2	0	0	0	116.1
848	D	32.9	Very low	49.6	Very low	83 Å²	83	87.8 Å²	87.8	44%	0.444	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-12.2	-172.9	-78.9	-45	0	0	0	118.1	R280 K543 S846	R280-D848 IonicContact NH1-OD1 3.29Å; R280-D848 PolarHBondContact NH1-OD1 3.21Å; R280-D848 PolarHBondContact NH2-O 2.81Å; K543-D848 IonicContact NZ-OD2 2.95Å; K543-D848 PolarHBondContact NZ-OD2 3.24Å; S846-D848 PolarHBondContact O-N 3.07Å
849	S	26.8	Very low	48.3	Very low	74 Å²	74	93.1 Å²	93.1	52%	0.517	51%	0.508	S	S	.	.			trans	-120.4	75.9	-173.4	59.2	0	0	0	0	113.5	S846 G851	S846-S849 PolarHBondContact O-N 3.11Å; S849-G851 PolarHBondContact O-N 3.29Å; S849-G851 VanDerWaalsContact O-N 3.16Å
850	F	26.5	Very low	47.6	Very low	173 Å²	173	97 Å²	97	76%	0.759	53%	0.529	S	S	*	.			trans	-79	71.2	146.4	-110.8	-88.9	0	0	0	107.7
851	G	25.6	Very low	47.5	Very low	53 Å²	53	99.8 Å²	99.8	55%	0.546	55%	0.548	S	S	.	.			trans	-115.8	118.7	165.5	0	0	0	0	0	106.5	S849	S849-G851 PolarHBondContact O-N 3.29Å; S849-G851 VanDerWaalsContact O-N 3.16Å
852	S	28.6	Very low	47.8	Very low	111 Å²	111	98.9 Å²	98.9	78%	0.776	54%	0.541	S	S	*	.			trans	32.2	96.5	-173.5	69.4	0	0	0	0	115.7	M854	S852-M854 PolarHBondContact O-N 2.75Å
853	R	33.5	Very low	48.1	Very low	156 Å²	156	96.3 Å²	96.3	59%	0.589	53%	0.528	S	S	*	.			trans	-56.9	111.3	140.5	-92.7	-177.4	174.5	179.3	-3.1	105.7	D629 E855	D629-R853 IonicContact OD2-CZ 3.74Å; D629-R853 IonicContact OD2-NH1 3.55Å; D629-R853 PolarHBondContact OD2-NH1 3.39Å; D629-R853 IonicContact OD2-NH2 2.67Å; D629-R853 PolarHBondContact OD2-NH2 3.05Å; R853-E855 VanDerWaalsContact C-N 3.35Å; R853-E855 PolarHBondContact O-N 3.49Å
854	M	30.7	Very low	49	Very low	146 Å²	146	98 Å²	98	72%	0.719	54%	0.538	S	S	*	.			trans	-61.5	114.7	139.8	-79.2	-175.8	74.8	0	0	104	S852 K856	S852-M854 PolarHBondContact O-N 2.75Å; M854-K856 PolarHBondContact O-N 3.12Å
855	E	33.5	Very low	50.6	Low	191 Å²	191	105 Å²	105	89%	0.893	55%	0.552	S	S	*	*			trans	-61.7	74.5	164.6	-73.6	179.1	155.8	0	0	108.2	R853	R853-E855 VanDerWaalsContact C-N 3.35Å; R853-E855 PolarHBondContact O-N 3.49Å
856	K	37	Very low	52.6	Low	144 Å²	144	102.5 Å²	102.5	63%	0.626	54%	0.535	S	S	*	.			trans	-105.3	116.6	155.1	-82.9	-173.6	170.9	-175.7	0	104.9	M854 S858	M854-K856 PolarHBondContact O-N 3.12Å; K856-S858 PolarHBondContact O-N 3.17Å
857	D	44	Very low	55.1	Low	169 Å²	169	101.3 Å²	101.3	90%	0.904	53%	0.527	S	S	*	.			trans	-50.6	99.3	155.2	-87.8	-31.9	0	0	0	105.9	D859	D857-D859 PolarHBondContact O-N 3.15Å
858	S	52.8	Low	57.5	Low	40 Å²	40	97.5 Å²	97.5	28%	0.28	51%	0.509	S	S	.	.			trans	-66.8	103.5	-179.8	52.4	0	0	0	0	106.5	K856 F863	K856-S858 PolarHBondContact O-N 3.17Å; S858-F863 WeakPolarHBondContact OG-CE2 3.38Å; S858-F863 WeakPolarHBondContact OG-CZ 3.39Å
859	D	64.7	Low	60.4	Low	113 Å²	113	94.4 Å²	94.4	60%	0.604	49%	0.493	S	S	*	.			trans	-64	149.7	-174.8	-150.6	-9.3	0	0	0	109.9	D857 V861 E862	D857-D859 PolarHBondContact O-N 3.15Å; D859-V861 PolarHBondContact O-N 2.89Å; D859-E862 PolarHBondContact O-N 3.1Å
860	N	70.9	Confident	63.7	Low	84 Å²	84	93.7 Å²	93.7	45%	0.449	48%	0.482	S	S	.	.	H	α-helix	trans	-54	-24.4	-177.5	-90.1	-33	0	0	0	112.7	T864	N860-T864 WeakPolarHBondContact O-CB 3.47Å; N860-T864 PolarHBondContact O-N 3.45Å; N860-T864 PolarHBondContact O-OG1 2.8Å
861	V	81.4	Confident	66.8	Low	82 Å²	82	91.1 Å²	91.1	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-43.2	175.6	-178.2	0	0	0	0	112.4	D859 T864 R865	D859-V861 PolarHBondContact O-N 2.89Å; V861-T864 PolarHBondContact O-N 3.1Å; V861-R865 WeakPolarHBondContact O-CG 3.41Å; V861-R865 PolarHBondContact O-N 2.97Å
862	E	84.6	Confident	70	Confident	82 Å²	82	94.3 Å²	94.3	38%	0.383	48%	0.477	S	S	.	.	H	α-helix	trans	-67.1	-42.6	-179.6	-75	-168.9	164.5	0	0	111.3	L842 D859 T864 R865 A866	L842-E862 HydrophobicContact CD1-CB 4.26Å; D859-E862 PolarHBondContact O-N 3.1Å; E862-T864 VanDerWaalsContact C-N 3.33Å; E862-T864 PolarHBondContact O-N 2.98Å; E862-R865 PolarHBondContact O-N 3.27Å; E862-A866 WeakPolarHBondContact O-CB 3.15Å; E862-A866 PolarHBondContact O-N 2.92Å
863	F	85.1	Confident	73	Confident	6 Å²	6	89.4 Å²	89.4	3%	0.026	44%	0.442	C	S	.	.	H	α-helix	trans	-62.9	-41.3	174.3	-76	-66.9	0	0	0	112.2	P631 V653 C839 L842 T843 S858 R865 A866 V867	P631-F863 HydrophobicContact CG-CB 4.37Å; P631-F863 HydrophobicContact CG-CD1 3.76Å; P631-F863 HydrophobicContact CG-CD2 4.05Å; P631-F863 HydrophobicContact CG-CE1 3.98Å; P631-F863 HydrophobicContact CG-CE2 4.2Å; P631-F863 HydrophobicContact CG-CG 3.82Å; P631-F863 HydrophobicContact CG-CZ 4.19Å; V653-F863 HydrophobicContact CB-CB 4.38Å; V653-F863 HydrophobicContact CG1-CB 3.82Å; V653-F863 HydrophobicContact CG1-CG 4.46Å; V653-F863 HydrophobicContact CG2-CB 4.06Å; C839-F863 HydrophobicContact CB-CD1 4.13Å; C839-F863 HydrophobicContact CB-CE1 4.27Å; L842-F863 HydrophobicContact CB-CD1 4.14Å; L842-F863 HydrophobicContact CB-CE1 3.51Å; L842-F863 HydrophobicContact CB-CZ 4Å; L842-F863 HydrophobicContact CD1-CD1 3.68Å; L842-F863 HydrophobicContact CD1-CE1 3.94Å; L842-F863 HydrophobicContact CD1-CG 4.2Å; L842-F863 HydrophobicContact CG-CE1 4.39Å; T843-F863 HydrophobicContact CG2-CE1 3.66Å; T843-F863 HydrophobicContact CG2-CZ 4.2Å; S858-F863 WeakPolarHBondContact OG-CE2 3.38Å; S858-F863 WeakPolarHBondContact OG-CZ 3.39Å; F863-R865 VanDerWaalsContact C-N 3.35Å; F863-R865 PolarHBondContact O-N 2.86Å; F863-A866 PolarHBondContact O-N 3.36Å; F863-V867 PolarHBondContact O-N 3.34Å
864	T	86.7	Confident	75.7	Confident	58 Å²	58	86 Å²	86	36%	0.356	43%	0.428	S	S	.	.	H	α-helix	trans	-60.6	-45.5	177.2	-59.8	0	0	0	0	110.9	N860 V861 E862 A866 V867 T868	N860-T864 WeakPolarHBondContact O-CB 3.47Å; N860-T864 PolarHBondContact O-N 3.45Å; N860-T864 PolarHBondContact O-OG1 2.8Å; V861-T864 PolarHBondContact O-N 3.1Å; E862-T864 VanDerWaalsContact C-N 3.33Å; E862-T864 PolarHBondContact O-N 2.98Å; T864-A866 VanDerWaalsContact C-N 3.33Å; T864-A866 PolarHBondContact O-N 3.44Å; T864-V867 WeakPolarHBondContact O-CG2 3.24Å; T864-V867 PolarHBondContact O-N 3.21Å; T864-T868 WeakPolarHBondContact O-CB 3.29Å; T864-T868 PolarHBondContact O-N 2.84Å; T864-T868 VanDerWaalsContact O-N 3.15Å; T864-T868 PolarHBondContact O-OG1 2.92Å
865	R	88.8	Confident	78.5	Confident	187 Å²	187	83 Å²	83	71%	0.706	42%	0.422	S	S	*	.	H	α-helix	trans	-60.9	-41.4	173.9	-74.4	178.7	175.7	178.7	-0.8	112	V861 E862 F863 V867 T868	V861-R865 WeakPolarHBondContact O-CG 3.41Å; V861-R865 PolarHBondContact O-N 2.97Å; E862-R865 PolarHBondContact O-N 3.27Å; F863-R865 VanDerWaalsContact C-N 3.35Å; F863-R865 PolarHBondContact O-N 2.86Å; R865-V867 VanDerWaalsContact C-N 3.33Å; R865-V867 PolarHBondContact O-N 3.08Å; R865-T868 PolarHBondContact O-N 3.4Å
866	A	89.7	Confident	81.3	Confident	16 Å²	16	75.1 Å²	75.1	13%	0.132	39%	0.388	C	S	.	.	H	α-helix	trans	-64.5	-33.9	-179.1	0	0	0	0	0	113.2	V554 H838 L842 E862 F863 T864	V554-A866 WeakPolarHBondContact CG2-O 3.4Å; H838-A866 WeakPolarHBondContact CB-O 3.44Å; L842-A866 HydrophobicContact CD1-CB 3.79Å; E862-A866 WeakPolarHBondContact O-CB 3.15Å; E862-A866 PolarHBondContact O-N 2.92Å; F863-A866 PolarHBondContact O-N 3.36Å; T864-A866 VanDerWaalsContact C-N 3.33Å; T864-A866 PolarHBondContact O-N 3.44Å
867	V	91.1	Very high	84	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.03	36%	0.361	C	S	.	.	H	α-helix	trans	-89.3	-10.8	177.8	-56	0	0	0	0	114	I651 V653 C839 F863 T864 R865 V869	I651-V867 HydrophobicContact CG2-CB 4.37Å; I651-V867 HydrophobicContact CG2-CG2 4.47Å; V653-V867 HydrophobicContact CG2-CB 4.3Å; V653-V867 HydrophobicContact CG2-CG1 3.79Å; V653-V867 HydrophobicContact CG2-CG2 3.5Å; V653-V867 VanDerWaalsContact CG2-CG2 3.5Å; C839-V867 WeakPolarHBondContact SG-CG1 3.41Å; F863-V867 PolarHBondContact O-N 3.34Å; T864-V867 WeakPolarHBondContact O-CG2 3.24Å; T864-V867 PolarHBondContact O-N 3.21Å; R865-V867 VanDerWaalsContact C-N 3.33Å; R865-V867 PolarHBondContact O-N 3.08Å; V867-V869 PolarHBondContact O-N 3.49Å
868	T	92.3	Very high	86.5	Confident	75 Å²	75	61 Å²	61	46%	0.46	32%	0.319	S	S	.	.			trans	-79.4	104.3	-179.7	-60.6	0	0	0	0	109.3	T864 R865	T864-T868 WeakPolarHBondContact O-CB 3.29Å; T864-T868 PolarHBondContact O-N 2.84Å; T864-T868 VanDerWaalsContact O-N 3.15Å; T864-T868 PolarHBondContact O-OG1 2.92Å; R865-T868 PolarHBondContact O-N 3.4Å
869	V	94.3	Very high	88.5	Confident	17 Å²	17	59.2 Å²	59.2	10%	0.103	31%	0.306	C	S	.	.			trans	-69.7	155	177.7	-65.2	0	0	0	0	112.3	D553 V867 I873 R874 Y878	D553-V869 HydrophobicContact CB-CG1 4.33Å; V867-V869 PolarHBondContact O-N 3.49Å; V869-I873 HydrophobicContact CB-CD1 4.21Å; V869-I873 HydrophobicContact CB-CG1 4.19Å; V869-I873 HydrophobicContact CG1-CD1 4.49Å; V869-I873 HydrophobicContact CG2-CG1 4.47Å; V869-R874 HydrophobicContact CG2-CB 4.26Å; V869-R874 HydrophobicContact CG2-CG 4.43Å; V869-Y878 HydrophobicContact CG1-CD2 4.2Å; V869-Y878 HydrophobicContact CG1-CE1 4.14Å; V869-Y878 HydrophobicContact CG1-CE2 3.55Å; V869-Y878 HydrophobicContact CG2-CE1 4.1Å
870	H	95.3	Very high	89.8	Confident	60 Å²	60	54 Å²	54	28%	0.278	28%	0.278	S	S	.	.			trans	-60.5	141.9	176.1	-169.8	-75.5	0	0	0	111.4	D553 K555 G557 N872 I873 R874	D553-H870 WeakPolarHBondContact O-CB 3.48Å; D553-H870 PolarHBondContact O-N 3.4Å; K555-H870 PolarHBondContact O-CD2 2.92Å; G557-H870 VanDerWaalsContact CA-CB 3.41Å; H870-N872 VanDerWaalsContact C-N 3.26Å; H870-N872 PolarHBondContact CE1-ND2 2.92Å; H870-N872 VanDerWaalsContact CE1-ND2 3.28Å; H870-N872 WeakPolarHBondContact ND1-CB 3.23Å; H870-N872 PolarHBondContact ND1-N 3.44Å; H870-N872 PolarHBondContact O-N 2.56Å; H870-N872 VanDerWaalsContact O-N 3.15Å; H870-I873 WeakPolarHBondContact O-CG1 3.46Å; H870-I873 PolarHBondContact O-N 2.74Å; H870-R874 PolarHBondContact O-N 3.08Å
871	E	92.4	Very high	90.8	Very high	119 Å²	119	52.5 Å²	52.5	56%	0.556	27%	0.27	S	S	*	.	H	α-helix	trans	-55.1	-39.4	-173.1	-168.4	59.6	-147.6	0	0	112.8	I873 R874	E871-I873 PolarHBondContact O-N 2.98Å; E871-R874 WeakPolarHBondContact O-CB 3.38Å; E871-R874 PolarHBondContact O-N 3.45Å; E871-R874 VanDerWaalsContact O-N 3.09Å; E871-R874 VanDerWaalsContact OE2-CD 3.25Å; E871-R874 WeakPolarHBondContact OE2-CD 3.34Å; E871-R874 IonicContact OE2-NH1 2.84Å; E871-R874 PolarHBondContact OE2-NH1 3.33Å; E871-R874 VanDerWaalsContact OE2-NH1 3.15Å
872	N	91.7	Very high	91.3	Very high	120 Å²	120	50.9 Å²	50.9	64%	0.642	26%	0.258	S	S	*	.	H	α-helix	trans	-49.2	-29.7	175.5	-67.7	-4.9	0	0	0	115.7	H870	H870-N872 VanDerWaalsContact C-N 3.26Å; H870-N872 PolarHBondContact CE1-ND2 2.92Å; H870-N872 VanDerWaalsContact CE1-ND2 3.28Å; H870-N872 WeakPolarHBondContact ND1-CB 3.23Å; H870-N872 PolarHBondContact ND1-N 3.44Å; H870-N872 PolarHBondContact O-N 2.56Å; H870-N872 VanDerWaalsContact O-N 3.15Å
873	I	92.7	Very high	91.7	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-116.4	0.1	-177.7	64.1	165	0	0	0	112.9	D553 G557 M559 V869 H870 E871 S875 S876 Y878	D553-I873 HydrophobicContact CB-CD1 3.71Å; D553-I873 WeakPolarHBondContact O-CD1 3.05Å; G557-I873 WeakPolarHBondContact O-CG2 3.29Å; M559-I873 HydrophobicContact CE-CG2 4.33Å; V869-I873 HydrophobicContact CB-CD1 4.21Å; V869-I873 HydrophobicContact CB-CG1 4.19Å; V869-I873 HydrophobicContact CG1-CD1 4.49Å; V869-I873 HydrophobicContact CG2-CG1 4.47Å; H870-I873 WeakPolarHBondContact O-CG1 3.46Å; H870-I873 PolarHBondContact O-N 2.74Å; E871-I873 PolarHBondContact O-N 2.98Å; I873-S875 VanDerWaalsContact C-N 3.29Å; I873-S875 PolarHBondContact O-N 3.02Å; I873-S876 WeakPolarHBondContact O-CB 3.33Å; I873-S876 PolarHBondContact O-N 3.4Å; I873-S876 PolarHBondContact O-OG 2.83Å; I873-Y878 HydrophobicContact CD1-CD2 4.33Å; I873-Y878 HydrophobicContact CD1-CG 4.06Å
874	R	89.7	Confident	92	Very high	83 Å²	83	51.8 Å²	51.8	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-36.4	-173.3	-173.8	178.1	-177.3	172.7	0.8	113.4	E670 V869 H870 E871 S876	E670-R874 IonicContact OE1-NH2 2.73Å; E670-R874 PolarHBondContact OE1-NH2 3.39Å; E670-R874 VanDerWaalsContact OE1-NH2 3.14Å; E670-R874 IonicContact OE2-NH2 3Å; V869-R874 HydrophobicContact CG2-CB 4.26Å; V869-R874 HydrophobicContact CG2-CG 4.43Å; H870-R874 PolarHBondContact O-N 3.08Å; E871-R874 WeakPolarHBondContact O-CB 3.38Å; E871-R874 PolarHBondContact O-N 3.45Å; E871-R874 VanDerWaalsContact O-N 3.09Å; E871-R874 VanDerWaalsContact OE2-CD 3.25Å; E871-R874 WeakPolarHBondContact OE2-CD 3.34Å; E871-R874 IonicContact OE2-NH1 2.84Å; E871-R874 PolarHBondContact OE2-NH1 3.33Å; E871-R874 VanDerWaalsContact OE2-NH1 3.15Å; R874-S876 VanDerWaalsContact C-N 3.33Å
875	S	88.9	Confident	92.4	Very high	84 Å²	84	51.4 Å²	51.4	59%	0.587	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	9.3	177	-58	0	0	0	0	113.5	I873	I873-S875 VanDerWaalsContact C-N 3.29Å; I873-S875 PolarHBondContact O-N 3.02Å
876	S	92.5	Very high	92.6	Very high	25 Å²	25	42.3 Å²	42.3	18%	0.175	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	165.1	-178.9	79.1	0	0	0	0	112.3	M559 I873 R874 Y878	M559-S876 WeakPolarHBondContact CE-OG 3.46Å; I873-S876 WeakPolarHBondContact O-CB 3.33Å; I873-S876 PolarHBondContact O-N 3.4Å; I873-S876 PolarHBondContact O-OG 2.83Å; R874-S876 VanDerWaalsContact C-N 3.33Å; S876-Y878 PolarHBondContact O-N 3.35Å; S876-Y878 PolarHBondContact OG-N 3.45Å
877	M	95.1	Very high	92.8	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.059	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	44.4	172.6	-64.9	-168.7	78.3	0	0	112.6	M589 Y647 F827 F879 I880	M589-M877 HydrophobicContact CB-SD 4.46Å; M589-M877 HydrophobicContact CE-CE 3.14Å; M589-M877 HydrophobicContact CE-SD 3.41Å; M589-M877 WeakPolarHBondContact CE-SD 3.45Å; Y647-M877 HydrophobicContact CD2-CE 4.31Å; Y647-M877 WeakPolarHBondContact O-CG 3.44Å; F827-M877 HydrophobicContact CD1-CE 4.25Å; F827-M877 HydrophobicContact CD2-CE 4.09Å; F827-M877 HydrophobicContact CE1-CE 3.95Å; F827-M877 HydrophobicContact CE2-CE 3.79Å; F827-M877 HydrophobicContact CG-CE 4.33Å; F827-M877 HydrophobicContact CZ-CE 3.71Å; M877-F879 HydrophobicContact CB-CZ 4.36Å; M877-F879 HydrophobicContact CE-CE2 4.06Å; M877-F879 HydrophobicContact CE-CZ 4.2Å; M877-F879 HydrophobicContact CG-CZ 4.28Å; M877-F879 PolarHBondContact O-N 2.95Å; M877-F879 VanDerWaalsContact O-N 3.09Å; M877-I880 HydrophobicContact CB-CG1 3.83Å; M877-I880 HydrophobicContact CE-CD1 4.02Å; M877-I880 HydrophobicContact CE-CG1 4.02Å; M877-I880 VanDerWaalsContact O-CB 3.31Å; M877-I880 WeakPolarHBondContact O-CB 3.44Å; M877-I880 WeakPolarHBondContact O-CG1 3.5Å; M877-I880 PolarHBondContact O-N 2.8Å; M877-I880 VanDerWaalsContact O-N 3.1Å
878	Y	95.3	Very high	93	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.016	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.9	-175.4	73.6	-83.7	0	0	0	113.2	I651 R834 V869 I873 S876 I880	I651-Y878 WeakPolarHBondContact CD1-OH 3.47Å; R834-Y878 HydrophobicContact CG-CD2 4.12Å; R834-Y878 HydrophobicContact CG-CE2 3.68Å; R834-Y878 PolarHBondContact NH1-O 2.83Å; R834-Y878 PolarHBondContact NH2-O 2.81Å; V869-Y878 HydrophobicContact CG1-CD2 4.2Å; V869-Y878 HydrophobicContact CG1-CE1 4.14Å; V869-Y878 HydrophobicContact CG1-CE2 3.55Å; V869-Y878 HydrophobicContact CG2-CE1 4.1Å; I873-Y878 HydrophobicContact CD1-CD2 4.33Å; I873-Y878 HydrophobicContact CD1-CG 4.06Å; S876-Y878 PolarHBondContact O-N 3.35Å; S876-Y878 PolarHBondContact OG-N 3.45Å; Y878-I880 PolarHBondContact O-N 3.46Å
879	F	94.8	Very high	93	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.3	-179	49.8	-98.1	0	0	0	114.5	A649 F827 L830 A831 R834 M877	A649-F879 HydrophobicContact CB-CD1 4Å; A649-F879 HydrophobicContact CB-CE1 3.8Å; F827-F879 HydrophobicContact CB-CD2 4.46Å; F827-F879 HydrophobicContact CB-CE2 3.71Å; F827-F879 HydrophobicContact CB-CZ 4.36Å; F827-F879 HydrophobicContact CD1-CE2 4.09Å; F827-F879 AromaticContact CG-CE2 3.98Å; F827-F879 HydrophobicContact CG-CE2 3.98Å; L830-F879 HydrophobicContact CB-CD2 4.26Å; A831-F879 HydrophobicContact CB-CB 4.28Å; A831-F879 HydrophobicContact CB-CD1 4.32Å; A831-F879 HydrophobicContact CB-CG 4.21Å; R834-F879 HydrophobicContact CB-CB 4.34Å; R834-F879 VanDerWaalsContact NH2-C 3.26Å; R834-F879 PolarHBondContact NH2-O 3.2Å; M877-F879 HydrophobicContact CB-CZ 4.36Å; M877-F879 HydrophobicContact CE-CE2 4.06Å; M877-F879 HydrophobicContact CE-CZ 4.2Å; M877-F879 HydrophobicContact CG-CZ 4.28Å; M877-F879 PolarHBondContact O-N 2.95Å; M877-F879 VanDerWaalsContact O-N 3.09Å
880	I	93.4	Very high	92.9	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	25%	0.245	C	C	.	.			trans	-63.9	0	172.8	-65.5	-59.7	0	0	0	112.1	K586 M589 K590 R814 F827 L830 R834 M877 Y878	K586-I880 HydrophobicContact CB-CG2 3.95Å; K586-I880 WeakPolarHBondContact CE-O 3.39Å; K586-I880 HydrophobicContact CG-CG2 4.01Å; K586-I880 PolarHBondContact NZ-O 2.62Å; M589-I880 HydrophobicContact CE-CD1 3.77Å; M589-I880 HydrophobicContact CE-CG1 3.83Å; M589-I880 HydrophobicContact SD-CG1 4.5Å; M589-I880 HydrophobicContact SD-CG2 4.38Å; K590-I880 WeakPolarHBondContact CE-OXT 3.37Å; K590-I880 PolarHBondContact NZ-OXT 2.97Å; K590-I880 VanDerWaalsContact NZ-OXT 3.07Å; R814-I880 HydrophobicContact CG-CD1 3.98Å; R814-I880 HydrophobicContact CG-CG2 3.74Å; R814-I880 PolarHBondContact NH1-O 2.65Å; F827-I880 HydrophobicContact CD1-CD1 3.71Å; F827-I880 HydrophobicContact CE1-CD1 3.54Å; L830-I880 HydrophobicContact CD1-CD1 4.13Å; R834-I880 PolarHBondContact NH2-OXT 3.2Å; M877-I880 HydrophobicContact CB-CG1 3.83Å; M877-I880 HydrophobicContact CE-CD1 4.02Å; M877-I880 HydrophobicContact CE-CG1 4.02Å; M877-I880 VanDerWaalsContact O-CB 3.31Å; M877-I880 WeakPolarHBondContact O-CB 3.44Å; M877-I880 WeakPolarHBondContact O-CG1 3.5Å; M877-I880 PolarHBondContact O-N 2.8Å; M877-I880 VanDerWaalsContact O-N 3.1Å; Y878-I880 PolarHBondContact O-N 3.46Å

Retrieved 880 of 880 residues in 1054.1 ms (Link to these results)

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