A0A5K4FBA2_SCHMA Loading...

Alpha-mannosidase

AlphaFold DB , UniProt , Accession A0A5K4FBA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,154 aa.

						>A0A5K4FBA2_SCHMA|A0A5K4FBA2
MIKLTTILLILVVYTNQCDSVSFRDLLKYSSSSKCGYDSCETGKSGYLNIHLIPHTHDDVGWLKTVDQYYYGVNNTIQRASVQYILDSVVSALAHNPNRKFTYVEMAYFYQWWIVQTKEIKHLVKDLVKSGQLQFALGGWSMADEATVYYVDAIDQLTYGNNLLKQLFSDCGRPLVAWQIDPFGHSRDHSNLFQDVGYDAVYFQRIDYREKEKRKHLKELEILWDTTYTTTTTTSNTTDNDKFYGLFTGMFYDTYCYPPNFEFDASYPDHSIVDNPSIQEYNVDIVVKKFIQYVKNLSNSFKTNHIMVLMGCDFTYENAHMNYNNMDKLIKYVNDQQKYDSNVNVLYSTPACYTKAVNEEFNRIGTINHRSGDFFPYASGSLSYWTGYYTSRPALKYYIRQASNLLSMCEQIHLFANHIPNKNNPYDNEENINHLRQVLHIVQHHDAVTGTSKQHVTNDYALRLYNGTKSCQHLINNSYMKLLPSHQFNITNQFDVTFCDLLNISLCNTTEYYQSYLHGSKNNHNEDDDNEDGDGIFILLYNPLGWEQSNVWIRFPIYIPINNDDYDNVDSLTNKFHIIIKDLRNSSKTHQSLPYQLNVINKRTLQIPERKSSLHHANYELLFNPKNLLPVGFNIFYFKIIHSSTSSSSSSTSSPFSSSSSTSSSTSSSSTSPSSTSSSSTSSTSSSSSTSSSSTSPSSSTSSSSSSSSSSMETTTPKSPIIITDTMKLKLSYNNNNNNKFIQLIMKHIQSNIKIKLNIELMYYIGETNGQQSSGAYIFLPKYKSHAKRFHSIHGIITRGSLVDEAYIEYSSWASLIVRLYHNGELEVEWTIGPFPSDMIGRETVVRYTINGDDVQYRDTGEFFTDSSGRRLIKRLRNRRDDWGIPMKYHEEQNITGNYYPIVNRIMIKNILLKWLNKKIPFGLAIYTDRSQGGTSLNDGQLELMLHRQTINDDNLGVNEPLEELGLDNKGLIVRGTHKIRFDELNLIESEDRKTAQEMRRPIIPMFIRANKQSLADLFNGWSGITKCLPNNINLLSLTSWPLYVVDKPESKNQILVRFENLHTLDNLKHTHIDASHLFYGITITDVTEMTLTADRLKEEAMSQRLHWPTEPTFQSVTKNYEMNSSSVILKIPPDKIITYILTYKIDDSSYFPD
					

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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	47.8	Very low	69.3	Low	236 Å²	236	119 Å²	119	100%	1.163	61%	0.614	S	S	*	*				0	92.9	0	-80.2	-178.6	163.7	0	0	108.7	K3	M1-K3 PolarHBondContact O-N 3.46Å; M1-K3 VanDerWaalsContact O-N 3.12Å
2	I	51.6	Low	69.3	Low	133 Å²	133	114.5 Å²	114.5	68%	0.682	60%	0.596	S	S	*	*			trans	-66.1	111.6	164.1	-65.1	170.9	0	0	0	104.7	L4 T6 I7	I2-L4 PolarHBondContact O-N 2.79Å; I2-T6 HydrophobicContact CG2-CG2 4.42Å; I2-I7 HydrophobicContact CG2-CG1 4.13Å
3	K	61.8	Low	69	Low	154 Å²	154	111 Å²	111	67%	0.67	58%	0.582	S	S	*	*			trans	-60.4	138	-176.5	-72.2	-178.6	176.1	179.2	0	107.9	M1 T5 T6	M1-K3 PolarHBondContact O-N 3.46Å; M1-K3 VanDerWaalsContact O-N 3.12Å; K3-T5 WeakPolarHBondContact CB-OG1 3.37Å; K3-T5 PolarHBondContact O-N 3.12Å; K3-T6 WeakPolarHBondContact O-CB 3.37Å; K3-T6 PolarHBondContact O-N 3.44Å; K3-T6 PolarHBondContact O-OG1 2.99Å
4	L	75.8	Confident	68.2	Low	133 Å²	133	114.7 Å²	114.7	70%	0.696	59%	0.586	S	S	*	*	H	α-helix	trans	-46.8	-31.7	177.1	-164.5	78.6	0	0	0	112.2	I2 T6 I7 L8	I2-L4 PolarHBondContact O-N 2.79Å; L4-T6 PolarHBondContact O-N 3.47Å; L4-I7 PolarHBondContact O-N 3.35Å; L4-L8 PolarHBondContact O-N 3.43Å
5	T	76.3	Confident	67.4	Low	92 Å²	92	110.3 Å²	110.3	56%	0.564	57%	0.567	S	S	*	*	H	α-helix	trans	-60.1	-36.3	174.4	49.7	0	0	0	0	114	K3 L8 L9	K3-T5 WeakPolarHBondContact CB-OG1 3.37Å; K3-T5 PolarHBondContact O-N 3.12Å; T5-L8 PolarHBondContact O-N 2.88Å; T5-L9 WeakPolarHBondContact O-CB 3.47Å; T5-L9 PolarHBondContact O-N 2.94Å
6	T	75.3	Confident	66.7	Low	68 Å²	68	111.7 Å²	111.7	42%	0.417	58%	0.576	S	S	.	*	H	α-helix	trans	-71.4	-38.7	178.5	-44	0	0	0	0	111.3	I2 K3 L4 L9 I10	I2-T6 HydrophobicContact CG2-CG2 4.42Å; K3-T6 WeakPolarHBondContact O-CB 3.37Å; K3-T6 PolarHBondContact O-N 3.44Å; K3-T6 PolarHBondContact O-OG1 2.99Å; L4-T6 PolarHBondContact O-N 3.47Å; T6-L9 PolarHBondContact O-N 2.96Å; T6-I10 HydrophobicContact CG2-CD1 4.32Å; T6-I10 VanDerWaalsContact O-CG1 3.27Å; T6-I10 WeakPolarHBondContact O-CG1 3.21Å; T6-I10 PolarHBondContact O-N 3.5Å
7	I	76.6	Confident	66	Low	87 Å²	87	115.1 Å²	115.1	45%	0.446	59%	0.588	S	S	.	*	H	α-helix	trans	-64.4	-44	173.7	-64.9	171.9	0	0	0	109.9	I2 L4 L9 I10 L11	I2-I7 HydrophobicContact CG2-CG1 4.13Å; L4-I7 PolarHBondContact O-N 3.35Å; I7-L9 VanDerWaalsContact C-N 3.34Å; I7-L9 PolarHBondContact O-N 3.39Å; I7-I10 PolarHBondContact O-N 3.35Å; I7-L11 HydrophobicContact CG2-CD1 4.02Å; I7-L11 WeakPolarHBondContact O-CB 3.27Å; I7-L11 PolarHBondContact O-N 2.83Å
8	L	77.5	Confident	64.8	Low	99 Å²	99	111.2 Å²	111.2	52%	0.518	57%	0.573	S	S	.	*	H	α-helix	trans	-64.3	-38	176.8	-122.1	127.6	0	0	0	112.1	L4 T5 L11 V12	L4-L8 PolarHBondContact O-N 3.43Å; T5-L8 PolarHBondContact O-N 2.88Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-V12 WeakPolarHBondContact O-CB 3.33Å; L8-V12 WeakPolarHBondContact O-CG2 3.22Å; L8-V12 PolarHBondContact O-N 3.47Å
9	L	74.6	Confident	63.8	Low	119 Å²	119	112.3 Å²	112.3	62%	0.623	58%	0.58	S	S	*	*	H	α-helix	trans	-70	-39.7	177.9	-139.3	116.6	0	0	0	111.8	T5 T6 I7 L11 V12 V13	T5-L9 WeakPolarHBondContact O-CB 3.47Å; T5-L9 PolarHBondContact O-N 2.94Å; T6-L9 PolarHBondContact O-N 2.96Å; I7-L9 VanDerWaalsContact C-N 3.34Å; I7-L9 PolarHBondContact O-N 3.39Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-V12 PolarHBondContact O-N 2.86Å; L9-V13 HydrophobicContact CD2-CG2 4.41Å; L9-V13 WeakPolarHBondContact O-CB 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.22Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 2.94Å
10	I	74.2	Confident	63.1	Low	95 Å²	95	111.7 Å²	111.7	49%	0.487	59%	0.586	S	S	.	*	H	α-helix	trans	-61.8	-44.5	173.1	-68.6	166.1	0	0	0	109.8	T6 I7 V13 Y14	T6-I10 HydrophobicContact CG2-CD1 4.32Å; T6-I10 VanDerWaalsContact O-CG1 3.27Å; T6-I10 WeakPolarHBondContact O-CG1 3.21Å; T6-I10 PolarHBondContact O-N 3.5Å; I7-I10 PolarHBondContact O-N 3.35Å; I10-V13 PolarHBondContact O-N 2.82Å; I10-Y14 HydrophobicContact CG2-CD2 4.04Å; I10-Y14 HydrophobicContact CG2-CE2 4.44Å; I10-Y14 WeakPolarHBondContact O-CB 3.37Å; I10-Y14 PolarHBondContact O-N 3.33Å
11	L	70.3	Confident	62.4	Low	93 Å²	93	111 Å²	111	49%	0.487	59%	0.586	S	S	.	*	H	α-helix	trans	-60.6	-46.7	174.7	-85.6	158.7	0	0	0	111.9	I7 L8 L9 Y14 T15	I7-L11 HydrophobicContact CG2-CD1 4.02Å; I7-L11 WeakPolarHBondContact O-CB 3.27Å; I7-L11 PolarHBondContact O-N 2.83Å; L8-L11 PolarHBondContact O-N 3.36Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L11-Y14 PolarHBondContact O-N 3.03Å; L11-T15 VanDerWaalsContact O-CG2 3.27Å; L11-T15 WeakPolarHBondContact O-CG2 3.25Å; L11-T15 PolarHBondContact O-N 3.4Å; L11-T15 PolarHBondContact O-OG1 3.25Å; L11-T15 VanDerWaalsContact O-OG1 3.13Å
12	V	69.7	Low	62.5	Low	65 Å²	65	102 Å²	102	39%	0.394	55%	0.546	S	S	.	.	H	α-helix	trans	-66.7	-39.9	-179	170.2	0	0	0	0	111.9	L8 L9 T15 N16	L8-V12 WeakPolarHBondContact O-CB 3.33Å; L8-V12 WeakPolarHBondContact O-CG2 3.22Å; L8-V12 PolarHBondContact O-N 3.47Å; L9-V12 PolarHBondContact O-N 2.86Å; V12-T15 VanDerWaalsContact CA-OG1 3.25Å; V12-T15 WeakPolarHBondContact CA-OG1 3.48Å; V12-T15 PolarHBondContact O-N 2.94Å; V12-T15 PolarHBondContact O-OG1 2.9Å; V12-N16 WeakPolarHBondContact CG1-ND2 3.35Å; V12-N16 WeakPolarHBondContact O-CB 3.46Å; V12-N16 PolarHBondContact O-N 3.38Å; V12-N16 PolarHBondContact O-ND2 3.47Å
13	V	65.6	Low	62.2	Low	69 Å²	69	99.2 Å²	99.2	42%	0.418	53%	0.529	S	S	.	.	H	α-helix	trans	-67.2	-41.3	175.7	172.9	0	0	0	0	110.4	L9 I10 N16 Q17	L9-V13 HydrophobicContact CD2-CG2 4.41Å; L9-V13 WeakPolarHBondContact O-CB 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.22Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 2.94Å; I10-V13 PolarHBondContact O-N 2.82Å; V13-N16 PolarHBondContact O-N 3.13Å; V13-Q17 PolarHBondContact O-N 2.91Å
14	Y	57.4	Low	61.3	Low	163 Å²	163	101.2 Å²	101.2	64%	0.639	53%	0.533	S	S	*	.	H	α-helix	trans	-63.2	-40.8	172.7	-102.9	-88.3	0	0	0	112.3	I10 L11 N16 C18	I10-Y14 HydrophobicContact CG2-CD2 4.04Å; I10-Y14 HydrophobicContact CG2-CE2 4.44Å; I10-Y14 WeakPolarHBondContact O-CB 3.37Å; I10-Y14 PolarHBondContact O-N 3.33Å; L11-Y14 PolarHBondContact O-N 3.03Å; Y14-N16 VanDerWaalsContact C-N 3.33Å; Y14-N16 PolarHBondContact O-N 3.35Å; Y14-C18 PolarHBondContact O-N 3.1Å; Y14-C18 VanDerWaalsContact O-N 3.1Å
15	T	56	Low	59.8	Low	48 Å²	48	98.6 Å²	98.6	29%	0.294	52%	0.519	S	S	.	.	H	α-helix	trans	-72.7	-22.9	178.2	55.7	0	0	0	0	113.8	L11 V12 C18 F23	L11-T15 VanDerWaalsContact O-CG2 3.27Å; L11-T15 WeakPolarHBondContact O-CG2 3.25Å; L11-T15 PolarHBondContact O-N 3.4Å; L11-T15 PolarHBondContact O-OG1 3.25Å; L11-T15 VanDerWaalsContact O-OG1 3.13Å; V12-T15 VanDerWaalsContact CA-OG1 3.25Å; V12-T15 WeakPolarHBondContact CA-OG1 3.48Å; V12-T15 PolarHBondContact O-N 2.94Å; V12-T15 PolarHBondContact O-OG1 2.9Å; T15-C18 VanDerWaalsContact O-O 3.12Å; T15-F23 HydrophobicContact CG2-CD1 4.3Å; T15-F23 HydrophobicContact CG2-CD2 3.97Å; T15-F23 HydrophobicContact CG2-CE1 4Å; T15-F23 HydrophobicContact CG2-CE2 3.65Å; T15-F23 HydrophobicContact CG2-CG 4.28Å; T15-F23 HydrophobicContact CG2-CZ 3.67Å
16	N	56.7	Low	58.3	Low	133 Å²	133	99.4 Å²	99.4	71%	0.711	52%	0.52	S	S	*	.	H	α-helix	trans	-90.6	-20.8	177.7	-78.9	-33.1	0	0	0	113	V12 V13 Y14	V12-N16 WeakPolarHBondContact CG1-ND2 3.35Å; V12-N16 WeakPolarHBondContact O-CB 3.46Å; V12-N16 PolarHBondContact O-N 3.38Å; V12-N16 PolarHBondContact O-ND2 3.47Å; V13-N16 PolarHBondContact O-N 3.13Å; Y14-N16 VanDerWaalsContact C-N 3.33Å; Y14-N16 PolarHBondContact O-N 3.35Å
17	Q	54.7	Low	56.8	Low	169 Å²	169	101 Å²	101	79%	0.79	53%	0.525	S	S	*	.	H	α-helix	trans	-92.5	-23.3	174.4	-75.9	-163.5	-21.2	0	0	113.8	V13	V13-Q17 PolarHBondContact O-N 2.91Å
18	C	44.7	Very low	55.3	Low	46 Å²	46	103.7 Å²	103.7	31%	0.311	53%	0.534	S	S	.	.	S	Bend	trans	-91.2	122.8	167.6	-75.8	0	0	0	0	109.3	Y14 T15 S20	Y14-C18 PolarHBondContact O-N 3.1Å; Y14-C18 VanDerWaalsContact O-N 3.1Å; T15-C18 VanDerWaalsContact O-O 3.12Å; C18-S20 PolarHBondContact O-N 3.41Å
19	D	46.1	Very low	53.9	Low	132 Å²	132	104.8 Å²	104.8	71%	0.706	53%	0.532	S	S	*	.			trans	-42.2	137.7	172.2	-74.5	-43.9	0	0	0	111	V21 S22 F23	D19-V21 CarbonylContact O-C 3.59Å; D19-V21 PolarHBondContact O-N 2.97Å; D19-S22 WeakPolarHBondContact O-CA 3.48Å; D19-S22 VanDerWaalsContact O-CB 3.29Å; D19-S22 WeakPolarHBondContact O-CB 3.41Å; D19-S22 PolarHBondContact O-N 3.49Å; D19-F23 PolarHBondContact O-N 3.27Å
20	S	48.6	Very low	52.4	Low	100 Å²	100	103.5 Å²	103.5	70%	0.699	53%	0.533	S	S	*	.	H	α-helix	trans	-56.7	-18	-178.2	57.4	0	0	0	0	114.1	C18	C18-S20 PolarHBondContact O-N 3.41Å
21	V	49.3	Very low	51.2	Low	97 Å²	97	102.8 Å²	102.8	59%	0.588	54%	0.536	S	S	*	.	H	α-helix	trans	-71.8	-46.5	171.4	-175.1	0	0	0	0	110.4	D19 F23 R24 D25	D19-V21 CarbonylContact O-C 3.59Å; D19-V21 PolarHBondContact O-N 2.97Å; V21-F23 PolarHBondContact O-N 3.24Å; V21-R24 PolarHBondContact O-N 3.14Å; V21-D25 WeakPolarHBondContact O-CB 3.37Å; V21-D25 VanDerWaalsContact O-CG 3.3Å; V21-D25 PolarHBondContact O-N 3.32Å
22	S	49.6	Very low	50.3	Low	47 Å²	47	103.1 Å²	103.1	33%	0.329	55%	0.546	S	S	.	.	H	α-helix	trans	-59.8	-40.4	176.9	168.7	0	0	0	0	112.8	D19 D25 L26	D19-S22 WeakPolarHBondContact O-CA 3.48Å; D19-S22 VanDerWaalsContact O-CB 3.29Å; D19-S22 WeakPolarHBondContact O-CB 3.41Å; D19-S22 PolarHBondContact O-N 3.49Å; S22-D25 PolarHBondContact O-N 3.44Å; S22-L26 WeakPolarHBondContact O-CB 3.39Å; S22-L26 PolarHBondContact O-N 3.33Å
23	F	44.8	Very low	49.6	Very low	74 Å²	74	101.8 Å²	101.8	33%	0.325	54%	0.54	S	S	.	.	H	α-helix	trans	-74.6	-35.2	-178.2	-157.2	-98.7	0	0	0	113.5	T15 D19 V21 D25 L26 L27	T15-F23 HydrophobicContact CG2-CD1 4.3Å; T15-F23 HydrophobicContact CG2-CD2 3.97Å; T15-F23 HydrophobicContact CG2-CE1 4Å; T15-F23 HydrophobicContact CG2-CE2 3.65Å; T15-F23 HydrophobicContact CG2-CG 4.28Å; T15-F23 HydrophobicContact CG2-CZ 3.67Å; D19-F23 PolarHBondContact O-N 3.27Å; V21-F23 PolarHBondContact O-N 3.24Å; F23-D25 VanDerWaalsContact C-N 3.34Å; F23-L26 PolarHBondContact O-N 3.46Å; F23-L27 HydrophobicContact CD1-CD1 3.65Å; F23-L27 HydrophobicContact CE1-CD1 3.53Å; F23-L27 HydrophobicContact CE1-CG 4.33Å; F23-L27 WeakPolarHBondContact O-CB 3.43Å; F23-L27 PolarHBondContact O-N 3.27Å
24	R	42.5	Very low	50.2	Low	196 Å²	196	104.6 Å²	104.6	74%	0.74	55%	0.546	S	S	*	.	H	α-helix	trans	-68	-35.2	172.1	-91.9	-174.7	169.8	-175.4	-1.5	111.9	V21 K28	V21-R24 PolarHBondContact O-N 3.14Å; R24-K28 PolarHBondContact O-N 3.41Å; R24-K28 VanDerWaalsContact O-N 3.14Å
25	D	46.4	Very low	51.5	Low	79 Å²	79	98.4 Å²	98.4	42%	0.422	53%	0.526	S	S	.	.	H	α-helix	trans	-72.9	-36.7	174.6	-66.6	-28.1	0	0	0	111.5	V21 S22 F23 L27 K28 Y29	V21-D25 WeakPolarHBondContact O-CB 3.37Å; V21-D25 VanDerWaalsContact O-CG 3.3Å; V21-D25 PolarHBondContact O-N 3.32Å; S22-D25 PolarHBondContact O-N 3.44Å; F23-D25 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 2.69Å; D25-K28 PolarHBondContact O-N 2.92Å; D25-Y29 WeakPolarHBondContact O-CD2 3.39Å; D25-Y29 PolarHBondContact O-N 3.27Å; D25-Y29 VanDerWaalsContact O-N 3.16Å
26	L	43.5	Very low	53	Low	108 Å²	108	97 Å²	97	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-62.7	-40.4	171.5	-119.2	124.7	0	0	0	112.8	S22 F23 Y29 S30	S22-L26 WeakPolarHBondContact O-CB 3.39Å; S22-L26 PolarHBondContact O-N 3.33Å; F23-L26 PolarHBondContact O-N 3.46Å; L26-Y29 WeakPolarHBondContact O-CB 3.47Å; L26-Y29 PolarHBondContact O-N 3.25Å; L26-S30 PolarHBondContact O-N 3.02Å
27	L	43.8	Very low	54.8	Low	102 Å²	102	92.2 Å²	92.2	53%	0.534	49%	0.494	S	S	.	.	H	α-helix	trans	-69.6	-29.7	176.1	-90.9	158.1	0	0	0	112.8	F23 D25 S30	F23-L27 HydrophobicContact CD1-CD1 3.65Å; F23-L27 HydrophobicContact CE1-CD1 3.53Å; F23-L27 HydrophobicContact CE1-CG 4.33Å; F23-L27 WeakPolarHBondContact O-CB 3.43Å; F23-L27 PolarHBondContact O-N 3.27Å; D25-L27 PolarHBondContact O-N 2.69Å; L27-S30 PolarHBondContact O-N 2.82Å
28	K	45.9	Very low	56.6	Low	144 Å²	144	89.7 Å²	89.7	63%	0.626	49%	0.486	S	S	*	.	H	α-helix	trans	-66.1	-37.9	170.2	-83	-179.8	175.9	177.2	0	111.9	R24 D25 S30 S31	R24-K28 PolarHBondContact O-N 3.41Å; R24-K28 VanDerWaalsContact O-N 3.14Å; D25-K28 PolarHBondContact O-N 2.92Å; K28-S30 PolarHBondContact O-N 3.4Å; K28-S31 PolarHBondContact O-N 3.25Å; K28-S31 PolarHBondContact O-OG 2.73Å
29	Y	46.9	Very low	58.8	Low	121 Å²	121	88.7 Å²	88.7	48%	0.475	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-23.7	172.5	-95.2	-84.4	0	0	0	113.5	D25 L26 D126	D25-Y29 WeakPolarHBondContact O-CD2 3.39Å; D25-Y29 PolarHBondContact O-N 3.27Å; D25-Y29 VanDerWaalsContact O-N 3.16Å; L26-Y29 WeakPolarHBondContact O-CB 3.47Å; L26-Y29 PolarHBondContact O-N 3.25Å; Y29-D126 HydrophobicContact CE1-CB 4.06Å
30	S	42.9	Very low	61.2	Low	93 Å²	93	83.2 Å²	83.2	65%	0.65	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-5	178.8	-178.3	0	0	0	0	114.7	L26 L27 K28 S32	L26-S30 PolarHBondContact O-N 3.02Å; L27-S30 PolarHBondContact O-N 2.82Å; K28-S30 PolarHBondContact O-N 3.4Å; S30-S32 PolarHBondContact O-N 2.92Å
31	S	49.7	Very low	63.2	Low	79 Å²	79	83.8 Å²	83.8	55%	0.552	44%	0.443	S	S	*	.	S	Bend	trans	-61.2	136.5	166.4	65.7	0	0	0	0	108	K28 S33	K28-S31 PolarHBondContact O-N 3.25Å; K28-S31 PolarHBondContact O-OG 2.73Å; S31-S33 VanDerWaalsContact C-N 3.29Å; S31-S33 PolarHBondContact O-N 3.5Å
32	S	52.5	Low	65.3	Low	101 Å²	101	80.8 Å²	80.8	71%	0.706	43%	0.425	S	S	*	.			trans	-54.2	98.4	176.8	59	0	0	0	0	108	S30 K34	S30-S32 PolarHBondContact O-N 2.92Å; S32-K34 PolarHBondContact O-N 3.11Å
33	S	55.1	Low	67.4	Low	36 Å²	36	79.7 Å²	79.7	25%	0.252	42%	0.421	S	S	.	.			trans	-58	108.6	-174	51.5	0	0	0	0	107.8	S31 K129	S31-S33 VanDerWaalsContact C-N 3.29Å; S31-S33 PolarHBondContact O-N 3.5Å; S33-K129 WeakPolarHBondContact OG-CD 3.35Å; S33-K129 WeakPolarHBondContact OG-CE 3.36Å; S33-K129 VanDerWaalsContact OG-CG 3.27Å; S33-K129 WeakPolarHBondContact OG-CG 3.24Å; S33-K129 PolarHBondContact OG-NZ 3.15Å
34	K	76.3	Confident	69.9	Low	128 Å²	128	80.1 Å²	80.1	56%	0.557	42%	0.422	S	S	*	.			trans	-79.3	126.9	175.9	-71.3	-179.6	178.8	-170.4	0	107	S32 D38 S39	S32-K34 PolarHBondContact O-N 3.11Å; K34-D38 HydrophobicContact CB-CB 3.66Å; K34-D38 WeakPolarHBondContact CB-O 3.19Å; K34-D38 HydrophobicContact CD-CB 4.1Å; K34-D38 WeakPolarHBondContact CD-O 3.35Å; K34-D38 HydrophobicContact CG-CB 4.07Å; K34-S39 WeakPolarHBondContact O-CB 3.28Å
35	C	84.8	Confident	72.3	Confident	33 Å²	33	76.8 Å²	76.8	22%	0.223	43%	0.429	C	S	.	.			trans	-117.7	172.9	175	70.8	0	0	0	0	110.8	D38 C171	C35-D38 PolarHBondContact O-N 2.88Å; C35-C171 HydrophobicContact CB-CB 3.52Å; C35-C171 WeakPolarHBondContact CB-SG 3.44Å; C35-C171 WeakPolarHBondContact SG-CA 3.42Å; C35-C171 WeakPolarHBondContact SG-CB 3.37Å; C35-C171 CovalentContact SG-SG 2.05Å; C35-C171 PolarHBondContact SG-SG 3.36Å
36	G	88.9	Confident	74.5	Confident	19 Å²	19	76.1 Å²	76.1	20%	0.196	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	62.1	-142.4	-171.1	0	0	0	0	0	112.3	D38 S39	G36-D38 PolarHBondContact O-N 3.36Å; G36-S39 PolarHBondContact O-N 3.41Å; G36-S39 PolarHBondContact O-OG 3.39Å
37	Y	94.6	Very high	77.1	Confident	33 Å²	33	74.4 Å²	74.4	13%	0.129	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-64.9	-18.4	-179.7	-72.5	-53.6	0	0	0	114.7	S39 C40 L175 D199 A351 K355 L1106	Y37-S39 PolarHBondContact O-N 3.44Å; Y37-C40 WeakPolarHBondContact O-CB 3.41Å; Y37-C40 PolarHBondContact O-N 2.94Å; Y37-L175 HydrophobicContact CD1-CD1 4.01Å; Y37-L175 HydrophobicContact CD2-CD1 3.96Å; Y37-L175 HydrophobicContact CE1-CD1 3.95Å; Y37-L175 HydrophobicContact CE2-CB 4.46Å; Y37-L175 HydrophobicContact CE2-CD1 3.9Å; Y37-L175 HydrophobicContact CG-CD1 4.01Å; Y37-D199 WeakPolarHBondContact CE2-OD2 3.35Å; Y37-D199 VanDerWaalsContact OH-CB 3.29Å; Y37-D199 WeakPolarHBondContact OH-CB 3.36Å; Y37-D199 PolarHBondContact OH-OD2 3.07Å; Y37-D199 VanDerWaalsContact OH-OD2 3.07Å; Y37-A351 HydrophobicContact CE1-CB 4.06Å; Y37-A351 VanDerWaalsContact CE1-O 3.31Å; Y37-A351 WeakPolarHBondContact CE1-O 3.32Å; Y37-K355 HydrophobicContact CD1-CB 3.78Å; Y37-K355 HydrophobicContact CD1-CD 4.14Å; Y37-K355 HydrophobicContact CD1-CG 4.21Å; Y37-K355 HydrophobicContact CE1-CB 4.02Å; Y37-K355 HydrophobicContact CG-CD 4.46Å; Y37-K355 PolarHBondContact O-NZ 3.36Å; Y37-L1106 HydrophobicContact CD2-CD2 4.36Å; Y37-L1106 HydrophobicContact CE1-CD1 4.11Å; Y37-L1106 HydrophobicContact CE2-CD1 4Å; Y37-L1106 HydrophobicContact CE2-CD2 4.11Å; Y37-L1106 HydrophobicContact CE2-CG 3.88Å; Y37-L1106 WeakPolarHBondContact OH-CD1 3.37Å
38	D	91.9	Very high	79.7	Confident	115 Å²	115	70 Å²	70	62%	0.615	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-73.6	-16.6	179.1	-69.9	-23.3	0	0	0	112.7	K34 C35 G36 C40	K34-D38 HydrophobicContact CB-CB 3.66Å; K34-D38 WeakPolarHBondContact CB-O 3.19Å; K34-D38 HydrophobicContact CD-CB 4.1Å; K34-D38 WeakPolarHBondContact CD-O 3.35Å; K34-D38 HydrophobicContact CG-CB 4.07Å; C35-D38 PolarHBondContact O-N 2.88Å; G36-D38 PolarHBondContact O-N 3.36Å; D38-C40 VanDerWaalsContact C-N 3.34Å
39	S	91.7	Very high	82.2	Confident	25 Å²	25	63.3 Å²	63.3	18%	0.175	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-86.2	-3.9	174.9	78.7	0	0	0	0	113.6	K34 G36 Y37 K100	K34-S39 WeakPolarHBondContact O-CB 3.28Å; G36-S39 PolarHBondContact O-N 3.41Å; G36-S39 PolarHBondContact O-OG 3.39Å; Y37-S39 PolarHBondContact O-N 3.44Å; S39-K100 PolarHBondContact O-NZ 3.32Å
40	C	95.1	Very high	84.7	Confident	18 Å²	18	57.5 Å²	57.5	12%	0.122	35%	0.353	C	S	.	.			trans	-86.7	128.4	-170.7	-68.7	0	0	0	0	113.4	Y37 D38 C352 K355	Y37-C40 WeakPolarHBondContact O-CB 3.41Å; Y37-C40 PolarHBondContact O-N 2.94Å; D38-C40 VanDerWaalsContact C-N 3.34Å; C40-C352 WeakPolarHBondContact CA-SG 3.29Å; C40-C352 HydrophobicContact CB-CB 3.61Å; C40-C352 WeakPolarHBondContact CB-SG 3.37Å; C40-C352 WeakPolarHBondContact SG-CA 3.49Å; C40-C352 WeakPolarHBondContact SG-CB 3.47Å; C40-C352 CovalentContact SG-SG 2.05Å; C40-C352 PolarHBondContact SG-SG 3.12Å; C40-K355 HydrophobicContact CB-CD 3.88Å
41	E	92	Very high	87.3	Confident	112 Å²	112	53.1 Å²	53.1	52%	0.523	32%	0.322	S	S	.	.			trans	-90.5	120.3	161.5	-176.1	179.8	171.2	0	0	108.2	L346	E41-L346 HydrophobicContact CB-CD1 4.21Å; E41-L346 HydrophobicContact CG-CD1 4.05Å; E41-L346 WeakPolarHBondContact O-CD1 2.94Å
42	T	92.3	Very high	89.7	Confident	34 Å²	34	49.3 Å²	49.3	21%	0.209	30%	0.296	C	S	.	.			trans	-90.6	-0.8	-178.3	54.6	0	0	0	0	113	H305 K355 A356 E359	T42-H305 PolarHBondContact O-CE1 3.49Å; T42-H305 PolarHBondContact O-ND1 3.02Å; T42-K355 HydrophobicContact CG2-CB 4.42Å; T42-K355 HydrophobicContact CG2-CD 3.96Å; T42-K355 HydrophobicContact CG2-CG 4.1Å; T42-A356 HydrophobicContact CG2-CB 3.91Å; T42-E359 PolarHBondContact OG1-OE2 3.17Å
43	G	94.7	Very high	91.9	Very high	23 Å²	23	44.5 Å²	44.5	24%	0.237	26%	0.262	C	S	.	.			trans	99.2	-165.1	178.1	0	0	0	0	0	113.7	N49	G43-N49 WeakPolarHBondContact CA-OD1 3.1Å
44	K	95.4	Very high	93.9	Very high	83 Å²	83	42.8 Å²	42.8	36%	0.361	25%	0.25	S	S	.	.			trans	-101.7	135.4	-176.6	-62.8	-177.1	-173.1	-177	0	111.3	Y47 N49 N344	K44-Y47 HydrophobicContact CB-CD2 3.51Å; K44-Y47 HydrophobicContact CB-CE2 4.14Å; K44-Y47 HydrophobicContact CB-CG 3.88Å; K44-Y47 HydrophobicContact CD-CD2 4.29Å; K44-Y47 HydrophobicContact CD-CE2 4.26Å; K44-Y47 HydrophobicContact CD-CG 4.48Å; K44-Y47 PolarHBondContact O-N 3.47Å; K44-N49 PolarHBondContact N-OD1 2.97Å; K44-N49 PolarHBondContact O-ND2 2.76Å; K44-N344 HydrophobicContact CD-CB 4.38Å; K44-N344 VanDerWaalsContact CE-OD1 3.24Å; K44-N344 WeakPolarHBondContact CE-OD1 3.27Å
45	S	93.1	Very high	95	Very high	126 Å²	126	36.7 Å²	36.7	88%	0.881	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	134.6	176.1	-169.7	0	0	0	0	111.7	Y47	S45-Y47 VanDerWaalsContact C-N 3.27Å; S45-Y47 WeakPolarHBondContact O-CD2 3.23Å; S45-Y47 PolarHBondContact O-N 3.48Å
46	G	93	Very high	95.6	Very high	66 Å²	66	35.3 Å²	35.3	68%	0.68	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	-3.1	-179.3	0	0	0	0	0	115.5
47	Y	98.1	Very high	96.1	Very high	71 Å²	71	34.5 Å²	34.5	28%	0.278	21%	0.205	S	C	.	.	S	Bend	trans	-96.2	158.2	176.4	-73.3	-106.6	0	0	0	111.3	K44 S45 N49 N304 Q337 N342 N344	K44-Y47 HydrophobicContact CB-CD2 3.51Å; K44-Y47 HydrophobicContact CB-CE2 4.14Å; K44-Y47 HydrophobicContact CB-CG 3.88Å; K44-Y47 HydrophobicContact CD-CD2 4.29Å; K44-Y47 HydrophobicContact CD-CE2 4.26Å; K44-Y47 HydrophobicContact CD-CG 4.48Å; K44-Y47 PolarHBondContact O-N 3.47Å; S45-Y47 VanDerWaalsContact C-N 3.27Å; S45-Y47 WeakPolarHBondContact O-CD2 3.23Å; S45-Y47 PolarHBondContact O-N 3.48Å; Y47-N49 PolarHBondContact O-N 2.9Å; Y47-N49 PolarHBondContact O-ND2 3.32Å; Y47-N304 WeakPolarHBondContact O-CB 2.99Å; Y47-Q337 HydrophobicContact CE1-CG 3.91Å; Y47-N342 CarbonylContact C-O 3.46Å; Y47-N342 WeakPolarHBondContact CA-O 3.09Å; Y47-N342 WeakPolarHBondContact CB-O 3.41Å; Y47-N342 VanDerWaalsContact CD1-O 3.32Å; Y47-N342 WeakPolarHBondContact CD1-O 3.14Å; Y47-N344 HydrophobicContact CD1-CB 3.97Å; Y47-N344 HydrophobicContact CG-CB 4.16Å
48	L	98.4	Very high	96.3	Very high	9 Å²	9	33 Å²	33	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	102.9	158.7	-178.5	65.6	0	0	0	107.8	I50 V294 N304 I306 N342 V343 N344	L48-I50 HydrophobicContact CD1-CD1 4.49Å; L48-I50 HydrophobicContact CD2-CD1 4.11Å; L48-I50 HydrophobicContact CG-CD1 3.81Å; L48-V294 HydrophobicContact CD2-CG2 4.34Å; L48-N304 CarbonylContact C-O 3.38Å; L48-I306 HydrophobicContact CD1-CD1 4.5Å; L48-I306 HydrophobicContact CD1-CG1 3.78Å; L48-N342 PolarHBondContact N-O 2.66Å; L48-V343 HydrophobicContact CD2-CG2 4.4Å; L48-N344 PolarHBondContact O-N 3.4Å
49	N	98.8	Very high	96.6	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.2	-177.3	-68.1	-63.8	0	0	0	110.7	G43 K44 Y47 N304 H305 I306 N344 L346	G43-N49 WeakPolarHBondContact CA-OD1 3.1Å; K44-N49 PolarHBondContact N-OD1 2.97Å; K44-N49 PolarHBondContact O-ND2 2.76Å; Y47-N49 PolarHBondContact O-N 2.9Å; Y47-N49 PolarHBondContact O-ND2 3.32Å; N49-N304 PolarHBondContact N-O 2.83Å; N49-H305 WeakPolarHBondContact CB-ND1 2.95Å; N49-H305 PolarHBondContact ND2-CE1 2.87Å; N49-H305 CarbonylContact O-C 3.53Å; N49-H305 WeakPolarHBondContact O-CA 3.38Å; N49-I306 PolarHBondContact O-N 3.17Å; N49-N344 CarbonylContact C-O 3.55Å; N49-N344 WeakPolarHBondContact CA-O 3.28Å; N49-N344 PolarHBondContact OD1-ND2 3.21Å; N49-L346 HydrophobicContact CB-CD2 4.47Å
50	I	98.8	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	110.9	-178.9	-49.2	-55	0	0	0	108.7	L48 L52 F290 V294 I306 V308 V343 N344 V345 L346	L48-I50 HydrophobicContact CD1-CD1 4.49Å; L48-I50 HydrophobicContact CD2-CD1 4.11Å; L48-I50 HydrophobicContact CG-CD1 3.81Å; I50-L52 HydrophobicContact CG2-CD2 4.08Å; I50-L52 PolarHBondContact O-N 2.81Å; I50-F290 HydrophobicContact CG2-CE1 4.32Å; I50-F290 HydrophobicContact CG2-CZ 3.95Å; I50-V294 HydrophobicContact CD1-CB 3.63Å; I50-V294 HydrophobicContact CD1-CG1 3.96Å; I50-V294 HydrophobicContact CD1-CG2 3.93Å; I50-V294 HydrophobicContact CG1-CB 4.21Å; I50-V294 HydrophobicContact CG1-CG1 4.16Å; I50-V294 HydrophobicContact CG1-CG2 4.2Å; I50-V294 HydrophobicContact CG2-CG1 4.07Å; I50-I306 WeakPolarHBondContact CA-O 3.06Å; I50-I306 HydrophobicContact CD1-CB 3.83Å; I50-I306 HydrophobicContact CD1-CG1 4.1Å; I50-V308 HydrophobicContact CG2-CB 4.12Å; I50-V308 HydrophobicContact CG2-CG2 3.52Å; I50-V343 HydrophobicContact CG1-CG1 3.85Å; I50-N344 PolarHBondContact N-O 3.08Å; I50-V345 HydrophobicContact CB-CB 4.45Å; I50-V345 HydrophobicContact CB-CG1 4.29Å; I50-V345 HydrophobicContact CB-CG2 4.17Å; I50-V345 HydrophobicContact CG1-CG2 4.33Å; I50-V345 HydrophobicContact CG2-CG1 4.43Å; I50-L346 WeakPolarHBondContact O-CD2 3.33Å; I50-L346 PolarHBondContact O-N 3.21Å
51	H	98.7	Very high	97	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	99.8	-179.8	-69.7	-102.6	0	0	0	108.8	I53 H305 I306 V308 S348 Y353	H51-I53 HydrophobicContact CB-CD1 4.27Å; H51-H305 AromaticContact CD2-ND1 3.93Å; H51-H305 AromaticContact CE1-ND1 3.97Å; H51-H305 AromaticContact NE2-CG 3.77Å; H51-H305 AromaticContact NE2-ND1 3Å; H51-H305 PolarHBondContact NE2-ND1 2.63Å; H51-I306 PolarHBondContact N-O 3.43Å; H51-V308 PolarHBondContact O-N 3.31Å; H51-S348 WeakPolarHBondContact ND1-CB 3.05Å; H51-S348 PolarHBondContact ND1-OG 3.43Å; H51-Y353 HydrophobicContact CB-CD2 3.82Å; H51-Y353 AromaticContact CD2-CD2 3.75Å; H51-Y353 AromaticContact CG-CD2 3.69Å
52	L	98.7	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.6	172.9	-56.4	-172.7	0	0	0	109.2	I50 P54 F290 V308 M310 M326 L329 I330 V345 L346 S348	I50-L52 HydrophobicContact CG2-CD2 4.08Å; I50-L52 PolarHBondContact O-N 2.81Å; L52-P54 VanDerWaalsContact O-CD 3.23Å; L52-P54 WeakPolarHBondContact O-CD 3.42Å; L52-F290 HydrophobicContact CD2-CZ 4.06Å; L52-V308 CarbonylContact C-O 3.58Å; L52-V308 WeakPolarHBondContact CA-O 3.17Å; L52-V308 HydrophobicContact CD2-CB 3.88Å; L52-V308 HydrophobicContact CD2-CG1 3.92Å; L52-M310 HydrophobicContact CB-CG 4.09Å; L52-M310 HydrophobicContact CD2-CG 4.3Å; L52-M310 HydrophobicContact CD2-SD 4.45Å; L52-M326 HydrophobicContact CB-CE 3.56Å; L52-M326 HydrophobicContact CD1-CE 3.51Å; L52-M326 HydrophobicContact CG-CE 4.15Å; L52-L329 HydrophobicContact CD1-CD2 4.44Å; L52-I330 HydrophobicContact CD1-CD1 4.02Å; L52-I330 HydrophobicContact CD1-CG1 3.78Å; L52-V345 HydrophobicContact CD1-CG1 3.62Å; L52-V345 HydrophobicContact CD2-CG1 3.91Å; L52-V345 HydrophobicContact CG-CG1 3.6Å; L52-L346 PolarHBondContact N-O 3.11Å; L52-S348 CarbonylContact O-C 3.6Å; L52-S348 PolarHBondContact O-N 2.77Å; L52-S348 VanDerWaalsContact O-O 3.08Å
53	I	98.5	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	88.2	-178.4	-47.8	-57.1	0	0	0	110.5	H51 H55 W178 M307 V308 L309 M310 P350	H51-I53 HydrophobicContact CB-CD1 4.27Å; I53-H55 PolarHBondContact O-N 2.89Å; I53-H55 PolarHBondContact O-ND1 3.38Å; I53-W178 HydrophobicContact CG2-CH2 4.31Å; I53-M307 HydrophobicContact CD1-CG 4.21Å; I53-M307 HydrophobicContact CG1-CE 4.48Å; I53-M307 HydrophobicContact CG1-CG 3.45Å; I53-M307 VanDerWaalsContact CG1-CG 3.45Å; I53-M307 HydrophobicContact CG1-SD 4.04Å; I53-V308 PolarHBondContact N-O 2.89Å; I53-L309 HydrophobicContact CB-CD2 4.01Å; I53-L309 HydrophobicContact CG1-CD2 4.21Å; I53-L309 HydrophobicContact CG2-CD2 4.33Å; I53-M310 PolarHBondContact O-N 2.78Å; I53-P350 HydrophobicContact CG2-CG 3.91Å
54	P	98.8	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	123.7	167.5	-25.8	37.9	0	0	0	110.6	L52 K100 F101 T102 M310 Y316 Y323 M326 Y347	L52-P54 VanDerWaalsContact O-CD 3.23Å; L52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-K100 WeakPolarHBondContact CB-O 3.3Å; P54-K100 WeakPolarHBondContact CG-O 3.28Å; P54-F101 HydrophobicContact CB-CD2 3.7Å; P54-F101 HydrophobicContact CB-CE2 4.33Å; P54-T102 PolarHBondContact O-N 2.96Å; P54-M310 WeakPolarHBondContact CA-O 3.21Å; P54-Y316 WeakPolarHBondContact CA-OH 3.34Å; P54-Y316 HydrophobicContact CB-CE1 4.33Å; P54-Y316 WeakPolarHBondContact CB-OH 3.24Å; P54-Y323 HydrophobicContact CB-CE1 4.43Å; P54-Y323 HydrophobicContact CG-CE1 4.23Å; P54-M326 HydrophobicContact CG-CE 3.68Å; P54-M326 HydrophobicContact CG-SD 3.96Å; P54-Y347 HydrophobicContact CG-CD1 3.97Å; P54-Y347 HydrophobicContact CG-CE1 4.17Å
55	H	98.7	Very high	97.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-157	168.1	176.2	73.6	-69.3	0	0	0	110	I53 T102 Y255 M310 G311 Y316	I53-H55 PolarHBondContact O-N 2.89Å; I53-H55 PolarHBondContact O-ND1 3.38Å; H55-T102 WeakPolarHBondContact CA-O 3.41Å; H55-Y255 PolarHBondContact CE1-O 3.45Å; H55-Y255 PolarHBondContact NE2-O 3.06Å; H55-M310 PolarHBondContact N-O 2.86Å; H55-G311 WeakPolarHBondContact O-CA 3.02Å; H55-Y316 WeakPolarHBondContact O-CE2 3.39Å
56	T	98.4	Very high	98.2	Very high	3 Å²	3	10.9 Å²	10.9	2%	0.018	7%	0.067	C	C	.	.			trans	-128.3	148.7	165	-174.8	0	0	0	0	108.7	D58 I85 F101 Y103 T315	T56-D58 VanDerWaalsContact CG2-OD1 3.28Å; T56-D58 WeakPolarHBondContact CG2-OD1 3.19Å; T56-D58 WeakPolarHBondContact CG2-OD2 3.44Å; T56-D58 PolarHBondContact OG1-OD1 3.28Å; T56-I85 HydrophobicContact CG2-CG2 3.99Å; T56-F101 HydrophobicContact CG2-CE1 4.27Å; T56-F101 HydrophobicContact CG2-CZ 3.97Å; T56-Y103 HydrophobicContact CG2-CD2 4.06Å; T56-Y103 HydrophobicContact CG2-CE2 3.78Å; T56-T315 PolarHBondContact OG1-N 3.2Å; T56-T315 PolarHBondContact OG1-O 3.05Å
57	H	98.2	Very high	98.4	Very high	3 Å²	3	10.4 Å²	10.4	1%	0.014	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-105.1	115.7	167.4	-174	37.9	0	0	0	108.4	D59 I180 D181 Y255 C312 D313 F314 H445	H57-D59 IonicContact CD2-OD1 3.25Å; H57-D59 IonicContact CE1-OD1 3.22Å; H57-D59 IonicContact NE2-OD1 2.84Å; H57-D59 PolarHBondContact NE2-OD1 3.45Å; H57-I180 HydrophobicContact CB-CD1 4.08Å; H57-D181 WeakPolarHBondContact NE2-CB 3.39Å; H57-D181 IonicContact NE2-OD2 2.72Å; H57-Y255 HydrophobicContact CB-CE2 4.18Å; H57-Y255 AromaticContact CD2-CZ 3.95Å; H57-C312 PolarHBondContact N-O 3.16Å; H57-D313 IonicContact CD2-OD1 2.79Å; H57-D313 PolarHBondContact CD2-OD1 2.05Å; H57-D313 CarbonylContact O-C 3.56Å; H57-D313 WeakPolarHBondContact O-CA 3.42Å; H57-F314 PolarHBondContact O-N 3.04Å; H57-H445 AromaticContact CE1-CE1 3.69Å; H57-H445 AromaticContact NE2-CE1 3.58Å
58	D	98.4	Very high	98.5	Very high	2 Å²	2	9 Å²	9	1%	0.011	5%	0.045	C	C	.	.			trans	-117.3	89.4	-173.6	-59.4	-25.8	0	0	0	109.3	T56 V60 V82 Y103 E105 Y108 F314	T56-D58 VanDerWaalsContact CG2-OD1 3.28Å; T56-D58 WeakPolarHBondContact CG2-OD1 3.19Å; T56-D58 WeakPolarHBondContact CG2-OD2 3.44Å; T56-D58 PolarHBondContact OG1-OD1 3.28Å; D58-V60 PolarHBondContact O-N 2.79Å; D58-V82 HydrophobicContact CB-CG2 4.04Å; D58-V82 WeakPolarHBondContact OD2-CG1 3.34Å; D58-Y103 VanDerWaalsContact OD2-CE2 3.24Å; D58-Y103 WeakPolarHBondContact OD2-CE2 3.35Å; D58-Y103 PolarHBondContact OD2-OH 2.69Å; D58-E105 HydrophobicContact CB-CG 4.43Å; D58-E105 WeakPolarHBondContact O-CG 3.47Å; D58-Y108 HydrophobicContact CB-CD2 3.78Å; D58-Y108 HydrophobicContact CB-CE2 3.92Å; D58-Y108 WeakPolarHBondContact O-CE2 3.42Å; D58-F314 HydrophobicContact CB-CD1 4.36Å; D58-F314 HydrophobicContact CB-CE1 4.11Å
59	D	98.6	Very high	98.5	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	4%	0.043	C	C	.	.			trans	-55.6	133	-180	-62.7	-53.9	0	0	0	111.8	H57 G61 W62 Y108 F314 H444 H445	H57-D59 IonicContact CD2-OD1 3.25Å; H57-D59 IonicContact CE1-OD1 3.22Å; H57-D59 IonicContact NE2-OD1 2.84Å; H57-D59 PolarHBondContact NE2-OD1 3.45Å; D59-G61 PolarHBondContact O-N 3.08Å; D59-W62 HydrophobicContact CB-CB 3.89Å; D59-Y108 WeakPolarHBondContact O-CE2 3.31Å; D59-Y108 PolarHBondContact O-OH 3.26Å; D59-F314 HydrophobicContact CB-CE2 4.31Å; D59-F314 HydrophobicContact CB-CZ 3.89Å; D59-H444 IonicContact OD1-CE1 3.18Å; D59-H444 PolarHBondContact OD1-CE1 2.74Å; D59-H444 VanDerWaalsContact OD1-CE1 3.23Å; D59-H444 IonicContact OD1-NE2 3.76Å; D59-H445 IonicContact OD1-CE1 3.21Å; D59-H445 PolarHBondContact OD1-CE1 3.05Å; D59-H445 IonicContact OD1-NE2 3.96Å
60	V	98.2	Very high	98.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-81.2	50.6	177.1	-160.9	0	0	0	0	110.1	D58 V66 E105 A107 Y108 I441 H444 Y460	D58-V60 PolarHBondContact O-N 2.79Å; V60-V66 HydrophobicContact CG1-CG1 3.9Å; V60-V66 HydrophobicContact CG1-CG2 4.17Å; V60-V66 WeakPolarHBondContact O-CG2 3.27Å; V60-E105 HydrophobicContact CG2-CB 4.44Å; V60-E105 HydrophobicContact CG2-CG 4.4Å; V60-A107 HydrophobicContact CG1-CB 4.05Å; V60-Y108 HydrophobicContact CG2-CE2 4.21Å; V60-I441 HydrophobicContact CG1-CB 4.33Å; V60-I441 HydrophobicContact CG1-CG1 3.97Å; V60-I441 HydrophobicContact CG1-CG2 3.96Å; V60-H444 HydrophobicContact CB-CB 4.24Å; V60-H444 PolarHBondContact N-NE2 2.92Å; V60-Y460 PolarHBondContact O-OH 3.02Å
61	G	98.3	Very high	98.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	98.1	131.1	-173	0	0	0	0	0	113.1	D59 K64 Y460	D59-G61 PolarHBondContact O-N 3.08Å; G61-K64 WeakPolarHBondContact CA-O 3.45Å; G61-Y460 WeakPolarHBondContact CA-OH 3.47Å; G61-Y460 PolarHBondContact O-OH 2.96Å
62	W	98.1	Very high	98.3	Very high	32 Å²	32	15.1 Å²	15.1	12%	0.121	7%	0.073	C	C	.	.	S	Bend	trans	-160.9	-79.9	-178.1	171.5	45.9	0	0	0	110.6	D59 K64 Y69 D446 S452 K453 V456 Y777	D59-W62 HydrophobicContact CB-CB 3.89Å; W62-K64 PolarHBondContact N-O 2.93Å; W62-K64 VanDerWaalsContact N-O 3.15Å; W62-Y69 HydrophobicContact CB-CE2 4.32Å; W62-D446 HydrophobicContact CB-CB 4.29Å; W62-D446 VanDerWaalsContact CD1-CG 3.5Å; W62-D446 HydrophobicContact CG-CB 4.5Å; W62-S452 WeakPolarHBondContact O-CA 3.4Å; W62-S452 WeakPolarHBondContact O-CB 3.35Å; W62-K453 PolarHBondContact O-N 2.73Å; W62-V456 WeakPolarHBondContact O-CG2 3.31Å; W62-Y777 PolarHBondContact NE1-OH 2.91Å
63	L	98.2	Very high	98.2	Very high	14 Å²	14	19.3 Å²	19.3	7%	0.073	10%	0.098	C	C	.	.	S	Bend	trans	-89.6	-29.1	171.5	-51.2	-177.8	0	0	0	112.2	Y69 I77 K453 H455 G957	L63-Y69 WeakPolarHBondContact CB-OH 3.48Å; L63-Y69 PolarHBondContact N-OH 3.37Å; L63-Y69 VanDerWaalsContact N-OH 3.07Å; L63-I77 HydrophobicContact CB-CG2 3.78Å; L63-K453 HydrophobicContact CB-CD 4.44Å; L63-K453 HydrophobicContact CD2-CD 4.35Å; L63-K453 HydrophobicContact CD2-CG 4.22Å; L63-H455 PolarHBondContact O-CE1 3.28Å; L63-H455 PolarHBondContact O-NE2 3.3Å; L63-G957 WeakPolarHBondContact CD2-O 3.44Å
64	K	98.2	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-116.9	160.5	174.1	-64.8	166.9	51.2	179	0	109.3	G61 W62 Q68 Y69 V73 N75 I77 Q78 A80 V456	G61-K64 WeakPolarHBondContact CA-O 3.45Å; W62-K64 PolarHBondContact N-O 2.93Å; W62-K64 VanDerWaalsContact N-O 3.15Å; K64-Q68 HydrophobicContact CB-CB 3.86Å; K64-Q68 VanDerWaalsContact CE-C 3.47Å; K64-Q68 VanDerWaalsContact CE-O 3.23Å; K64-Q68 WeakPolarHBondContact CE-O 3.16Å; K64-Q68 PolarHBondContact NZ-O 3.35Å; K64-Y69 HydrophobicContact CB-CD1 4.03Å; K64-Y69 HydrophobicContact CB-CD2 3.79Å; K64-Y69 HydrophobicContact CB-CE1 3.87Å; K64-Y69 HydrophobicContact CB-CE2 3.63Å; K64-Y69 HydrophobicContact CB-CG 3.98Å; K64-Y69 HydrophobicContact CD-CD1 3.94Å; K64-Y69 HydrophobicContact CD-CE1 3.74Å; K64-Y69 HydrophobicContact CG-CD1 4.49Å; K64-Y69 HydrophobicContact CG-CE1 4.11Å; K64-Y69 PolarHBondContact N-OH 3.2Å; K64-Y69 WeakPolarHBondContact O-CD2 3.44Å; K64-Y69 WeakPolarHBondContact O-CE2 3.39Å; K64-V73 WeakPolarHBondContact CE-O 3.4Å; K64-V73 PolarHBondContact NZ-O 2.78Å; K64-V73 VanDerWaalsContact NZ-O 3.1Å; K64-N75 PolarHBondContact NZ-OD1 3Å; K64-I77 HydrophobicContact CG-CB 4.05Å; K64-I77 HydrophobicContact CG-CD1 4.38Å; K64-I77 HydrophobicContact CG-CG2 3.96Å; K64-Q78 HydrophobicContact CD-CB 4.28Å; K64-Q78 WeakPolarHBondContact CD-O 3.45Å; K64-A80 PolarHBondContact NZ-O 2.96Å; K64-V456 VanDerWaalsContact C-CG2 3.4Å; K64-V456 WeakPolarHBondContact O-CG2 3.39Å
65	T	98.6	Very high	97.7	Very high	15 Å²	15	26 Å²	26	9%	0.092	13%	0.134	C	C	.	.			trans	-69.3	163.7	173	71.2	0	0	0	0	111	D67 Q68 Y69 V456 D459	T65-D67 VanDerWaalsContact C-N 3.31Å; T65-D67 PolarHBondContact O-N 3.31Å; T65-Q68 PolarHBondContact O-N 3.4Å; T65-Q68 VanDerWaalsContact O-N 3.11Å; T65-Q68 VanDerWaalsContact OG1-CG 3.24Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.16Å; T65-Q68 PolarHBondContact OG1-N 2.82Å; T65-Y69 WeakPolarHBondContact O-CD2 3.1Å; T65-Y69 PolarHBondContact O-N 3.41Å; T65-V456 HydrophobicContact CG2-CG2 4.45Å; T65-D459 HydrophobicContact CG2-CB 3.67Å
66	V	98.4	Very high	97.5	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.055	17%	0.173	C	C	.	.	H	α-helix	trans	-50.9	-50.8	178.3	-172.4	0	0	0	0	111.2	V60 Q68 Y69 Y70 Y108 I441 Y460	V60-V66 HydrophobicContact CG1-CG1 3.9Å; V60-V66 HydrophobicContact CG1-CG2 4.17Å; V60-V66 WeakPolarHBondContact O-CG2 3.27Å; V66-Q68 PolarHBondContact O-N 2.86Å; V66-Y69 PolarHBondContact O-N 3.24Å; V66-Y70 PolarHBondContact O-N 2.84Å; V66-Y108 HydrophobicContact CG1-CE1 3.75Å; V66-Y108 WeakPolarHBondContact O-CE1 3.29Å; V66-Y108 PolarHBondContact O-OH 2.05Å; V66-I441 HydrophobicContact CG2-CG2 3.94Å; V66-Y460 HydrophobicContact CG2-CE1 4.11Å
67	D	98.5	Very high	97.3	Very high	55 Å²	55	34.7 Å²	34.7	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-69.5	-33.5	-178.2	-62.5	-42.4	0	0	0	112.6	T65 Y70 Y71 R463	T65-D67 VanDerWaalsContact C-N 3.31Å; T65-D67 PolarHBondContact O-N 3.31Å; D67-Y70 PolarHBondContact O-N 3.31Å; D67-Y71 HydrophobicContact CB-CD2 4.28Å; D67-Y71 HydrophobicContact CB-CE2 4.45Å; D67-Y71 VanDerWaalsContact O-CD2 3.28Å; D67-Y71 WeakPolarHBondContact O-CD2 3.19Å; D67-Y71 PolarHBondContact O-N 3.42Å; D67-R463 IonicContact OD1-NH2 3.8Å; D67-R463 IonicContact OD2-CZ 3.14Å; D67-R463 IonicContact OD2-NH1 2.73Å; D67-R463 IonicContact OD2-NH2 3.26Å; D67-R463 PolarHBondContact OD2-NH2 3.43Å
68	Q	98.5	Very high	97.2	Very high	42 Å²	42	36.4 Å²	36.4	20%	0.196	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-38	177.2	-76	173	-8.9	0	0	112	K64 T65 V66 G72 V73	K64-Q68 HydrophobicContact CB-CB 3.86Å; K64-Q68 VanDerWaalsContact CE-C 3.47Å; K64-Q68 VanDerWaalsContact CE-O 3.23Å; K64-Q68 WeakPolarHBondContact CE-O 3.16Å; K64-Q68 PolarHBondContact NZ-O 3.35Å; T65-Q68 PolarHBondContact O-N 3.4Å; T65-Q68 VanDerWaalsContact O-N 3.11Å; T65-Q68 VanDerWaalsContact OG1-CG 3.24Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.16Å; T65-Q68 PolarHBondContact OG1-N 2.82Å; V66-Q68 PolarHBondContact O-N 2.86Å; Q68-G72 WeakPolarHBondContact O-CA 3.5Å; Q68-G72 PolarHBondContact O-N 3.37Å; Q68-G72 VanDerWaalsContact O-N 3.08Å; Q68-V73 PolarHBondContact O-N 2.89Å; Q68-V73 VanDerWaalsContact O-N 3.14Å
69	Y	98.6	Very high	97	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-42.1	171.7	-81.8	-55	0	0	0	111.9	W62 L63 K64 T65 V66 Q78 A80 S81 V82 Y108 F314	W62-Y69 HydrophobicContact CB-CE2 4.32Å; L63-Y69 WeakPolarHBondContact CB-OH 3.48Å; L63-Y69 PolarHBondContact N-OH 3.37Å; L63-Y69 VanDerWaalsContact N-OH 3.07Å; K64-Y69 HydrophobicContact CB-CD1 4.03Å; K64-Y69 HydrophobicContact CB-CD2 3.79Å; K64-Y69 HydrophobicContact CB-CE1 3.87Å; K64-Y69 HydrophobicContact CB-CE2 3.63Å; K64-Y69 HydrophobicContact CB-CG 3.98Å; K64-Y69 HydrophobicContact CD-CD1 3.94Å; K64-Y69 HydrophobicContact CD-CE1 3.74Å; K64-Y69 HydrophobicContact CG-CD1 4.49Å; K64-Y69 HydrophobicContact CG-CE1 4.11Å; K64-Y69 PolarHBondContact N-OH 3.2Å; K64-Y69 WeakPolarHBondContact O-CD2 3.44Å; K64-Y69 WeakPolarHBondContact O-CE2 3.39Å; T65-Y69 WeakPolarHBondContact O-CD2 3.1Å; T65-Y69 PolarHBondContact O-N 3.41Å; V66-Y69 PolarHBondContact O-N 3.24Å; Y69-Q78 VanDerWaalsContact CE1-OE1 3.28Å; Y69-Q78 PolarHBondContact OH-OE1 2.98Å; Y69-A80 HydrophobicContact CD1-CB 3.66Å; Y69-A80 HydrophobicContact CE1-CB 3.9Å; Y69-S81 VanDerWaalsContact O-CA 3.29Å; Y69-S81 WeakPolarHBondContact O-CA 3.19Å; Y69-V82 PolarHBondContact O-N 3.25Å; Y69-Y108 VanDerWaalsContact CB-OH 3.31Å; Y69-Y108 WeakPolarHBondContact CB-OH 3.36Å; Y69-F314 AromaticContact CD1-CD1 3.95Å; Y69-F314 HydrophobicContact CD1-CD1 3.95Å; Y69-F314 HydrophobicContact CD1-CD2 4.34Å; Y69-F314 AromaticContact CD1-CE1 3.32Å; Y69-F314 HydrophobicContact CD1-CE1 3.32Å; Y69-F314 AromaticContact CD1-CE2 3.81Å; Y69-F314 HydrophobicContact CD1-CE2 3.81Å; Y69-F314 HydrophobicContact CD1-CG 4.41Å; Y69-F314 AromaticContact CD1-CZ 3.24Å; Y69-F314 HydrophobicContact CD1-CZ 3.24Å; Y69-F314 HydrophobicContact CD2-CE1 4.33Å; Y69-F314 AromaticContact CD2-CZ 3.92Å; Y69-F314 HydrophobicContact CD2-CZ 3.92Å; Y69-F314 HydrophobicContact CE1-CD1 4.41Å; Y69-F314 AromaticContact CE1-CD2 3.99Å; Y69-F314 HydrophobicContact CE1-CD2 3.99Å; Y69-F314 AromaticContact CE1-CE1 3.82Å; Y69-F314 HydrophobicContact CE1-CE1 3.82Å; Y69-F314 AromaticContact CE1-CE2 3.35Å; Y69-F314 HydrophobicContact CE1-CE2 3.35Å; Y69-F314 HydrophobicContact CE1-CG 4.48Å; Y69-F314 AromaticContact CE1-CZ 3.24Å; Y69-F314 HydrophobicContact CE1-CZ 3.24Å; Y69-F314 HydrophobicContact CE2-CE2 4.45Å; Y69-F314 AromaticContact CE2-CZ 3.89Å; Y69-F314 HydrophobicContact CE2-CZ 3.89Å; Y69-F314 AromaticContact CG-CE1 3.63Å; Y69-F314 HydrophobicContact CG-CE1 3.63Å; Y69-F314 AromaticContact CG-CZ 3.61Å; Y69-F314 HydrophobicContact CG-CZ 3.61Å; Y69-F314 AromaticContact CZ-CE2 3.72Å; Y69-F314 AromaticContact CZ-CZ 3.58Å
70	Y	98.6	Very high	96.8	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-56.9	178.1	-179.6	-104	0	0	0	112.4	V66 D67 G72 S81 V82 Q83 Y108 Q111 W112	V66-Y70 PolarHBondContact O-N 2.84Å; D67-Y70 PolarHBondContact O-N 3.31Å; Y70-G72 PolarHBondContact O-N 3.01Å; Y70-S81 PolarHBondContact O-OG 3.44Å; Y70-V82 HydrophobicContact CD2-CB 4.42Å; Y70-V82 PolarHBondContact O-N 2.79Å; Y70-Q83 HydrophobicContact CE1-CB 4.44Å; Y70-Q83 HydrophobicContact CE2-CB 4.08Å; Y70-Q83 PolarHBondContact O-N 3.06Å; Y70-Y108 AromaticContact CD2-CD1 3.96Å; Y70-Y108 HydrophobicContact CD2-CD1 3.96Å; Y70-Y108 HydrophobicContact CG-CD1 4.44Å; Y70-Q111 HydrophobicContact CD1-CG 3.88Å; Y70-Q111 HydrophobicContact CD2-CB 4.22Å; Y70-Q111 HydrophobicContact CD2-CG 3.82Å; Y70-Q111 HydrophobicContact CE1-CG 3.63Å; Y70-Q111 HydrophobicContact CE2-CB 3.89Å; Y70-Q111 HydrophobicContact CE2-CG 3.57Å; Y70-Q111 HydrophobicContact CG-CG 3.97Å; Y70-Q111 VanDerWaalsContact CZ-CG 3.48Å; Y70-Q111 PolarHBondContact OH-O 3.37Å; Y70-W112 HydrophobicContact CE2-CB 4.08Å; Y70-W112 VanDerWaalsContact OH-CA 3.29Å; Y70-W112 WeakPolarHBondContact OH-CA 3.39Å
71	Y	98.2	Very high	96.8	Very high	119 Å²	119	43 Å²	43	47%	0.467	22%	0.218	S	C	.	.	H	α-helix	trans	-81.5	-10.6	-173.7	-69.6	-67.2	0	0	0	114.7	D67	D67-Y71 HydrophobicContact CB-CD2 4.28Å; D67-Y71 HydrophobicContact CB-CE2 4.45Å; D67-Y71 VanDerWaalsContact O-CD2 3.28Å; D67-Y71 WeakPolarHBondContact O-CD2 3.19Å; D67-Y71 PolarHBondContact O-N 3.42Å
72	G	96.6	Very high	96.8	Very high	15 Å²	15	43 Å²	43	16%	0.155	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	29.1	-176.9	0	0	0	0	0	114.7	Q68 Y70 N75 A80 S81	Q68-G72 WeakPolarHBondContact O-CA 3.5Å; Q68-G72 PolarHBondContact O-N 3.37Å; Q68-G72 VanDerWaalsContact O-N 3.08Å; Y70-G72 PolarHBondContact O-N 3.01Å; G72-N75 PolarHBondContact O-ND2 3.18Å; G72-N75 PolarHBondContact O-OD1 3.43Å; G72-A80 WeakPolarHBondContact CA-O 3.48Å; G72-S81 PolarHBondContact N-OG 2.94Å
73	V	96.6	Very high	96.8	Very high	88 Å²	88	43.1 Å²	43.1	53%	0.533	22%	0.22	S	C	.	.			trans	-89.2	150.7	179.2	-179.5	0	0	0	0	110.2	K64 Q68	K64-V73 WeakPolarHBondContact CE-O 3.4Å; K64-V73 PolarHBondContact NZ-O 2.78Å; K64-V73 VanDerWaalsContact NZ-O 3.1Å; Q68-V73 PolarHBondContact O-N 2.89Å; Q68-V73 VanDerWaalsContact O-N 3.14Å
74	N	93.1	Very high	96.7	Very high	70 Å²	70	48.1 Å²	48.1	37%	0.374	24%	0.238	S	C	.	.			trans	63.2	41.8	177.3	-153.8	14.9	0	0	0	114.3	T76 I77	N74-T76 PolarHBondContact O-N 3.44Å; N74-T76 PolarHBondContact OD1-OG1 3.28Å; N74-T76 VanDerWaalsContact OD1-OG1 3.08Å; N74-I77 WeakPolarHBondContact ND2-CD1 3.35Å; N74-I77 PolarHBondContact O-N 3.02Å; N74-I77 VanDerWaalsContact O-N 3.07Å
75	N	93.3	Very high	96.7	Very high	71 Å²	71	48.1 Å²	48.1	38%	0.38	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-1	-179.4	-71.2	-21.2	0	0	0	115	K64 G72 I77 Q78 A80	K64-N75 PolarHBondContact NZ-OD1 3Å; G72-N75 PolarHBondContact O-ND2 3.18Å; G72-N75 PolarHBondContact O-OD1 3.43Å; N75-I77 PolarHBondContact O-N 3.37Å; N75-Q78 WeakPolarHBondContact CA-O 3.41Å; N75-Q78 CarbonylContact O-C 3.38Å; N75-Q78 PolarHBondContact OD1-O 3.27Å; N75-A80 PolarHBondContact OD1-N 3.35Å
76	T	94.7	Very high	96.8	Very high	133 Å²	133	47.6 Å²	47.6	82%	0.816	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23	167.1	53.2	0	0	0	0	112.3	N74	N74-T76 PolarHBondContact O-N 3.44Å; N74-T76 PolarHBondContact OD1-OG1 3.28Å; N74-T76 VanDerWaalsContact OD1-OG1 3.08Å
77	I	94.5	Very high	96.8	Very high	53 Å²	53	50.4 Å²	50.4	27%	0.272	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-54.5	172.1	-62.3	-179.6	0	0	0	110.3	L63 K64 N74 N75	L63-I77 HydrophobicContact CB-CG2 3.78Å; K64-I77 HydrophobicContact CG-CB 4.05Å; K64-I77 HydrophobicContact CG-CD1 4.38Å; K64-I77 HydrophobicContact CG-CG2 3.96Å; N74-I77 WeakPolarHBondContact ND2-CD1 3.35Å; N74-I77 PolarHBondContact O-N 3.02Å; N74-I77 VanDerWaalsContact O-N 3.07Å; N75-I77 PolarHBondContact O-N 3.37Å
78	Q	94.3	Very high	96.8	Very high	38 Å²	38	48.9 Å²	48.9	18%	0.178	24%	0.244	C	C	.	.			trans	-160.5	131.9	179.3	-177.5	-177.5	16.3	0	0	108	K64 Y69 N75 A80	K64-Q78 HydrophobicContact CD-CB 4.28Å; K64-Q78 WeakPolarHBondContact CD-O 3.45Å; Y69-Q78 VanDerWaalsContact CE1-OE1 3.28Å; Y69-Q78 PolarHBondContact OH-OE1 2.98Å; N75-Q78 WeakPolarHBondContact CA-O 3.41Å; N75-Q78 CarbonylContact O-C 3.38Å; N75-Q78 PolarHBondContact OD1-O 3.27Å; Q78-A80 PolarHBondContact O-N 3.39Å
79	R	94	Very high	96.8	Very high	139 Å²	139	47 Å²	47	53%	0.525	24%	0.235	S	C	.	.			trans	-70.7	114.1	170.7	179.2	-179.2	175.6	178.4	-2.4	108.8	E317	R79-E317 IonicContact CZ-OE2 3.48Å; R79-E317 IonicContact NE-OE2 3.85Å; R79-E317 PolarHBondContact NE-OE2 3.26Å; R79-E317 IonicContact NH2-OE2 2.78Å; R79-E317 PolarHBondContact NH2-OE2 3.44Å
80	A	95.8	Very high	96.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.			trans	-166.4	128.2	179.7	0	0	0	0	0	110.2	K64 Y69 G72 N75 Q78 F314 E317	K64-A80 PolarHBondContact NZ-O 2.96Å; Y69-A80 HydrophobicContact CD1-CB 3.66Å; Y69-A80 HydrophobicContact CE1-CB 3.9Å; G72-A80 WeakPolarHBondContact CA-O 3.48Å; N75-A80 PolarHBondContact OD1-N 3.35Å; Q78-A80 PolarHBondContact O-N 3.39Å; A80-F314 HydrophobicContact CB-CB 3.47Å; A80-F314 VanDerWaalsContact CB-CB 3.47Å; A80-F314 HydrophobicContact CB-CD1 3.7Å; A80-F314 HydrophobicContact CB-CD2 3.9Å; A80-F314 HydrophobicContact CB-CE1 4.4Å; A80-F314 HydrophobicContact CB-CG 3.39Å; A80-E317 WeakPolarHBondContact CA-OE1 2.86Å
81	S	96.8	Very high	96.8	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	26%	0.255	C	S	.	.			trans	-146	102	175.6	-172.5	0	0	0	0	112.7	Y69 Y70 G72 Q83 Y84 I85 E317	Y69-S81 VanDerWaalsContact O-CA 3.29Å; Y69-S81 WeakPolarHBondContact O-CA 3.19Å; Y70-S81 PolarHBondContact O-OG 3.44Å; G72-S81 PolarHBondContact N-OG 2.94Å; S81-Q83 VanDerWaalsContact C-N 3.35Å; S81-Q83 PolarHBondContact O-N 3.27Å; S81-Y84 VanDerWaalsContact CB-CD2 3.49Å; S81-Y84 PolarHBondContact O-N 3.14Å; S81-Y84 WeakPolarHBondContact OG-CD2 3.5Å; S81-Y84 WeakPolarHBondContact OG-CE2 3.39Å; S81-I85 WeakPolarHBondContact O-CG1 3.33Å; S81-I85 PolarHBondContact O-N 2.63Å; S81-E317 PolarHBondContact N-OE1 2.88Å
82	V	98.4	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-35.8	-174.1	-175.1	0	0	0	0	112.9	D58 Y69 Y70 Y84 I85 L86 Y103 Y108 F314	D58-V82 HydrophobicContact CB-CG2 4.04Å; D58-V82 WeakPolarHBondContact OD2-CG1 3.34Å; Y69-V82 PolarHBondContact O-N 3.25Å; Y70-V82 HydrophobicContact CD2-CB 4.42Å; Y70-V82 PolarHBondContact O-N 2.79Å; V82-Y84 VanDerWaalsContact C-N 3.3Å; V82-Y84 PolarHBondContact O-N 3.09Å; V82-I85 WeakPolarHBondContact O-CB 3.29Å; V82-I85 PolarHBondContact O-N 3.33Å; V82-L86 HydrophobicContact CG1-CD1 4.25Å; V82-L86 PolarHBondContact O-N 3.32Å; V82-L86 VanDerWaalsContact O-N 3.08Å; V82-Y103 WeakPolarHBondContact CG1-OH 3.22Å; V82-Y108 HydrophobicContact CB-CD1 4.46Å; V82-Y108 HydrophobicContact CB-CG 4.32Å; V82-Y108 HydrophobicContact CG1-CD1 4.44Å; V82-Y108 HydrophobicContact CG1-CD2 4.19Å; V82-Y108 HydrophobicContact CG1-CG 3.88Å; V82-Y108 HydrophobicContact CG2-CD1 4.39Å; V82-Y108 HydrophobicContact CG2-CD2 4.07Å; V82-Y108 HydrophobicContact CG2-CE1 4.43Å; V82-Y108 HydrophobicContact CG2-CE2 4.1Å; V82-Y108 HydrophobicContact CG2-CG 4.22Å; V82-F314 HydrophobicContact CG2-CD1 4.02Å; V82-F314 HydrophobicContact CG2-CE1 4.05Å
83	Q	98	Very high	96.9	Very high	35 Å²	35	43.6 Å²	43.6	16%	0.164	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-40.9	178.8	72.3	179.4	26.9	0	0	112.2	Y70 S81 L86 D87	Y70-Q83 HydrophobicContact CE1-CB 4.44Å; Y70-Q83 HydrophobicContact CE2-CB 4.08Å; Y70-Q83 PolarHBondContact O-N 3.06Å; S81-Q83 VanDerWaalsContact C-N 3.35Å; S81-Q83 PolarHBondContact O-N 3.27Å; Q83-L86 PolarHBondContact O-N 3.46Å; Q83-D87 WeakPolarHBondContact O-CB 3.48Å; Q83-D87 PolarHBondContact O-N 2.78Å
84	Y	97.7	Very high	96.9	Very high	119 Å²	119	41.5 Å²	41.5	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-75.9	-27.8	-179.7	-60.1	-45.5	0	0	0	112.1	S81 V82 S88	S81-Y84 VanDerWaalsContact CB-CD2 3.49Å; S81-Y84 PolarHBondContact O-N 3.14Å; S81-Y84 WeakPolarHBondContact OG-CD2 3.5Å; S81-Y84 WeakPolarHBondContact OG-CE2 3.39Å; V82-Y84 VanDerWaalsContact C-N 3.3Å; V82-Y84 PolarHBondContact O-N 3.09Å; Y84-S88 VanDerWaalsContact O-CB 3.25Å; Y84-S88 WeakPolarHBondContact O-CB 3.08Å; Y84-S88 PolarHBondContact O-N 3.01Å; Y84-S88 PolarHBondContact O-OG 3.08Å
85	I	98.6	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-55.3	170	-64.7	169.1	0	0	0	109.6	T56 S81 V82 D87 S88 V89 F314 T315 Y316 E317	T56-I85 HydrophobicContact CG2-CG2 3.99Å; S81-I85 WeakPolarHBondContact O-CG1 3.33Å; S81-I85 PolarHBondContact O-N 2.63Å; V82-I85 WeakPolarHBondContact O-CB 3.29Å; V82-I85 PolarHBondContact O-N 3.33Å; I85-D87 PolarHBondContact O-N 3.12Å; I85-S88 PolarHBondContact O-N 3.45Å; I85-S88 PolarHBondContact O-OG 3.31Å; I85-V89 HydrophobicContact CG2-CG2 4.21Å; I85-V89 WeakPolarHBondContact O-CB 3.41Å; I85-V89 VanDerWaalsContact O-CG2 3.22Å; I85-V89 WeakPolarHBondContact O-CG2 3.26Å; I85-V89 PolarHBondContact O-N 3.11Å; I85-F314 HydrophobicContact CD1-CB 4.33Å; I85-T315 WeakPolarHBondContact CD1-O 3.46Å; I85-T315 WeakPolarHBondContact CG1-O 3.44Å; I85-T315 WeakPolarHBondContact CG2-O 3.37Å; I85-Y316 WeakPolarHBondContact CA-O 3.42Å; I85-E317 HydrophobicContact CG1-CG 4.03Å
86	L	98.8	Very high	97.3	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-44	-178.7	-71.6	169.8	0	0	0	112.4	V82 Q83 S88 V89 V90 Y103 F109 W112	V82-L86 HydrophobicContact CG1-CD1 4.25Å; V82-L86 PolarHBondContact O-N 3.32Å; V82-L86 VanDerWaalsContact O-N 3.08Å; Q83-L86 PolarHBondContact O-N 3.46Å; L86-S88 PolarHBondContact O-N 3.29Å; L86-V89 PolarHBondContact O-N 2.97Å; L86-V90 WeakPolarHBondContact O-CB 3.48Å; L86-V90 VanDerWaalsContact O-CG2 3.25Å; L86-V90 WeakPolarHBondContact O-CG2 3.26Å; L86-V90 PolarHBondContact O-N 3.19Å; L86-Y103 HydrophobicContact CD2-CD1 4.45Å; L86-Y103 HydrophobicContact CD2-CD2 3.98Å; L86-Y103 HydrophobicContact CD2-CE1 4.21Å; L86-Y103 HydrophobicContact CD2-CE2 3.7Å; L86-Y103 HydrophobicContact CD2-CG 4.33Å; L86-Y103 HydrophobicContact CG-CE2 4.32Å; L86-F109 HydrophobicContact CD2-CD2 4.36Å; L86-W112 HydrophobicContact CB-CD2 3.79Å; L86-W112 HydrophobicContact CB-CG 3.82Å; L86-W112 HydrophobicContact CB-CZ2 4.32Å; L86-W112 HydrophobicContact CD1-CB 3.38Å; L86-W112 HydrophobicContact CD1-CD2 3.86Å; L86-W112 HydrophobicContact CD1-CE3 4.32Å; L86-W112 HydrophobicContact CD1-CG 3.43Å; L86-W112 VanDerWaalsContact CD1-CG 3.43Å; L86-W112 HydrophobicContact CG-CD2 4.39Å; L86-W112 HydrophobicContact CG-CG 4.26Å
87	D	98.5	Very high	97.3	Very high	68 Å²	68	40.8 Å²	40.8	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-57.2	-48.2	176.2	-71.8	-16.5	0	0	0	111.7	Q83 I85 S91 W112	Q83-D87 WeakPolarHBondContact O-CB 3.48Å; Q83-D87 PolarHBondContact O-N 2.78Å; I85-D87 PolarHBondContact O-N 3.12Å; D87-S91 WeakPolarHBondContact O-CB 3.29Å; D87-S91 PolarHBondContact O-N 3.42Å; D87-S91 VanDerWaalsContact O-N 3.15Å; D87-W112 PolarHBondContact OD1-NE1 2.86Å
88	S	98.5	Very high	97.4	Very high	23 Å²	23	43.8 Å²	43.8	16%	0.161	23%	0.226	C	C	.	.	H	α-helix	trans	-74.6	-36.2	-175.2	83.1	0	0	0	0	112.4	Y84 I85 L86 S91 A92 Y316 E317 A319	Y84-S88 VanDerWaalsContact O-CB 3.25Å; Y84-S88 WeakPolarHBondContact O-CB 3.08Å; Y84-S88 PolarHBondContact O-N 3.01Å; Y84-S88 PolarHBondContact O-OG 3.08Å; I85-S88 PolarHBondContact O-N 3.45Å; I85-S88 PolarHBondContact O-OG 3.31Å; L86-S88 PolarHBondContact O-N 3.29Å; S88-S91 PolarHBondContact O-N 3Å; S88-A92 WeakPolarHBondContact O-CB 3.38Å; S88-A92 PolarHBondContact O-N 2.88Å; S88-Y316 PolarHBondContact OG-O 2.9Å; S88-E317 PolarHBondContact OG-O 2.89Å; S88-A319 VanDerWaalsContact OG-CB 3.27Å; S88-A319 WeakPolarHBondContact OG-CB 3.17Å; S88-A319 PolarHBondContact OG-N 3.43Å
89	V	98.8	Very high	97.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-49.7	175.1	166.4	0	0	0	0	110.6	I85 L86 S91 A92 L93 F101 Y316 A319	I85-V89 HydrophobicContact CG2-CG2 4.21Å; I85-V89 WeakPolarHBondContact O-CB 3.41Å; I85-V89 VanDerWaalsContact O-CG2 3.22Å; I85-V89 WeakPolarHBondContact O-CG2 3.26Å; I85-V89 PolarHBondContact O-N 3.11Å; L86-V89 PolarHBondContact O-N 2.97Å; V89-S91 VanDerWaalsContact C-N 3.27Å; V89-S91 PolarHBondContact O-N 2.77Å; V89-A92 PolarHBondContact O-N 3.39Å; V89-A92 VanDerWaalsContact O-N 3.08Å; V89-L93 HydrophobicContact CG1-CD1 3.94Å; V89-L93 HydrophobicContact CG1-CG 4.19Å; V89-L93 WeakPolarHBondContact O-CG 3.47Å; V89-L93 PolarHBondContact O-N 3.46Å; V89-F101 HydrophobicContact CB-CE1 4.48Å; V89-F101 HydrophobicContact CG1-CB 3.86Å; V89-F101 HydrophobicContact CG1-CD1 3.51Å; V89-F101 HydrophobicContact CG1-CD2 3.96Å; V89-F101 HydrophobicContact CG1-CE1 3.91Å; V89-F101 HydrophobicContact CG1-CE2 4.38Å; V89-F101 HydrophobicContact CG1-CG 3.5Å; V89-F101 VanDerWaalsContact CG1-CG 3.5Å; V89-F101 HydrophobicContact CG1-CZ 4.35Å; V89-F101 HydrophobicContact CG2-CD1 4.35Å; V89-F101 HydrophobicContact CG2-CD2 4.14Å; V89-F101 HydrophobicContact CG2-CE1 3.96Å; V89-F101 HydrophobicContact CG2-CE2 3.79Å; V89-F101 HydrophobicContact CG2-CG 4.4Å; V89-F101 HydrophobicContact CG2-CZ 3.68Å; V89-Y316 HydrophobicContact CG2-CD1 4.05Å; V89-Y316 HydrophobicContact CG2-CG 4.23Å; V89-A319 HydrophobicContact CB-CB 4.44Å; V89-A319 HydrophobicContact CG2-CB 3.85Å
90	V	98.8	Very high	97.8	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-44	179.4	168.3	0	0	0	0	110.5	L86 A94 W112 L123 V124 L127	L86-V90 WeakPolarHBondContact O-CB 3.48Å; L86-V90 VanDerWaalsContact O-CG2 3.25Å; L86-V90 WeakPolarHBondContact O-CG2 3.26Å; L86-V90 PolarHBondContact O-N 3.19Å; V90-A94 PolarHBondContact O-N 3.37Å; V90-A94 VanDerWaalsContact O-N 3.14Å; V90-W112 HydrophobicContact CG2-CH2 3.81Å; V90-W112 HydrophobicContact CG2-CZ2 4.14Å; V90-L123 HydrophobicContact CG1-CD2 3.75Å; V90-L123 HydrophobicContact CG1-CG 4.23Å; V90-V124 HydrophobicContact CG1-CG2 4Å; V90-V124 HydrophobicContact CG2-CG2 3.91Å; V90-L127 HydrophobicContact CG1-CD1 4.13Å
91	S	98.5	Very high	97.9	Very high	57 Å²	57	37.3 Å²	37.3	40%	0.399	20%	0.201	S	C	.	.	H	α-helix	trans	-59	-51.1	172.7	-177.9	0	0	0	0	111.4	D87 S88 V89 L93 A94 H95	D87-S91 WeakPolarHBondContact O-CB 3.29Å; D87-S91 PolarHBondContact O-N 3.42Å; D87-S91 VanDerWaalsContact O-N 3.15Å; S88-S91 PolarHBondContact O-N 3Å; V89-S91 VanDerWaalsContact C-N 3.27Å; V89-S91 PolarHBondContact O-N 2.77Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.37Å; S91-A94 WeakPolarHBondContact O-CB 3.47Å; S91-A94 PolarHBondContact O-N 3.16Å; S91-A94 VanDerWaalsContact O-N 3.14Å; S91-H95 PolarHBondContact O-N 2.78Å; S91-H95 PolarHBondContact O-ND1 2.89Å; S91-H95 PolarHBondContact OG-CE1 3.45Å
92	A	98.6	Very high	98	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-36.3	-176.7	0	0	0	0	0	113.5	S88 V89 H95 R99 A319 Y323	S88-A92 WeakPolarHBondContact O-CB 3.38Å; S88-A92 PolarHBondContact O-N 2.88Å; V89-A92 PolarHBondContact O-N 3.39Å; V89-A92 VanDerWaalsContact O-N 3.08Å; A92-H95 PolarHBondContact O-N 2.92Å; A92-R99 VanDerWaalsContact O-CD 3.28Å; A92-R99 WeakPolarHBondContact O-CD 3.24Å; A92-R99 PolarHBondContact O-NH1 2.82Å; A92-A319 HydrophobicContact CB-CB 3.95Å; A92-Y323 HydrophobicContact CB-CD2 3.38Å; A92-Y323 HydrophobicContact CB-CE2 3.73Å; A92-Y323 HydrophobicContact CB-CG 4.35Å
93	L	98.6	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-40.1	174.2	-68.3	179.5	0	0	0	111.6	V89 S91 H95 N96 R99 F101 L127 Q132 L133 Y323	V89-L93 HydrophobicContact CG1-CD1 3.94Å; V89-L93 HydrophobicContact CG1-CG 4.19Å; V89-L93 WeakPolarHBondContact O-CG 3.47Å; V89-L93 PolarHBondContact O-N 3.46Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.37Å; L93-H95 PolarHBondContact O-N 3.44Å; L93-N96 PolarHBondContact O-N 2.81Å; L93-R99 HydrophobicContact CD2-CB 3.77Å; L93-R99 WeakPolarHBondContact CD2-O 3.28Å; L93-F101 HydrophobicContact CD1-CB 3.97Å; L93-F101 HydrophobicContact CD2-CB 4.21Å; L93-F101 HydrophobicContact CG-CB 4.48Å; L93-L127 HydrophobicContact CB-CD1 3.84Å; L93-L127 HydrophobicContact CB-CD2 3.76Å; L93-L127 HydrophobicContact CB-CG 4.42Å; L93-L127 HydrophobicContact CD1-CD1 4.16Å; L93-Q132 HydrophobicContact CD2-CB 4.45Å; L93-Q132 PolarHBondContact O-NE2 2.7Å; L93-L133 HydrophobicContact CD1-CB 3.97Å; L93-L133 HydrophobicContact CD1-CD1 4.46Å; L93-Y323 WeakPolarHBondContact CD2-OH 3.42Å
94	A	97.7	Very high	98	Very high	43 Å²	43	35.9 Å²	35.9	36%	0.355	19%	0.194	S	C	.	.	H	α-helix	trans	-62	-29.8	177.9	0	0	0	0	0	113.1	V90 S91 L123	V90-A94 PolarHBondContact O-N 3.37Å; V90-A94 VanDerWaalsContact O-N 3.14Å; S91-A94 WeakPolarHBondContact O-CB 3.47Å; S91-A94 PolarHBondContact O-N 3.16Å; S91-A94 VanDerWaalsContact O-N 3.14Å; A94-L123 HydrophobicContact CB-CD1 3.92Å; A94-L123 HydrophobicContact CB-CD2 4.04Å
95	H	96.9	Very high	98	Very high	146 Å²	146	30.4 Å²	30.4	68%	0.676	17%	0.173	S	C	*	.	H	α-helix	trans	-75.9	-21.2	-178	-74.8	87.6	0	0	0	114.6	S91 A92 L93	S91-H95 PolarHBondContact O-N 2.78Å; S91-H95 PolarHBondContact O-ND1 2.89Å; S91-H95 PolarHBondContact OG-CE1 3.45Å; A92-H95 PolarHBondContact O-N 2.92Å; L93-H95 PolarHBondContact O-N 3.44Å
96	N	96.8	Very high	98	Very high	34 Å²	34	30.4 Å²	30.4	18%	0.182	17%	0.173	C	C	.	.			trans	-150.4	116.4	-178.1	177.4	-7.4	0	0	0	110.9	L93 N98 R99	L93-N96 PolarHBondContact O-N 2.81Å; N96-N98 PolarHBondContact O-N 3.26Å; N96-N98 VanDerWaalsContact O-N 3.1Å; N96-N98 WeakPolarHBondContact OD1-CB 3.36Å; N96-N98 PolarHBondContact OD1-N 3.19Å; N96-R99 HydrophobicContact CB-CG 3.89Å; N96-R99 WeakPolarHBondContact O-CB 3.48Å; N96-R99 PolarHBondContact O-N 3.4Å; N96-R99 VanDerWaalsContact O-N 3.11Å
97	P	95.6	Very high	98	Very high	79 Å²	79	30.5 Å²	30.5	51%	0.513	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-13	-173.4	28.3	-36.3	0	0	0	114.7	Q132	P97-Q132 VanDerWaalsContact CA-OE1 3.32Å; P97-Q132 PolarHBondContact O-OE1 3.17Å
98	N	95.4	Very high	98	Very high	116 Å²	116	27.4 Å²	27.4	62%	0.62	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-17.2	177.1	-62.6	-32.2	0	0	0	112.9	N96 Y347	N96-N98 PolarHBondContact O-N 3.26Å; N96-N98 VanDerWaalsContact O-N 3.1Å; N96-N98 WeakPolarHBondContact OD1-CB 3.36Å; N96-N98 PolarHBondContact OD1-N 3.19Å; N98-Y347 VanDerWaalsContact O-CB 3.3Å; N98-Y347 WeakPolarHBondContact O-CB 3.45Å; N98-Y347 VanDerWaalsContact O-CD2 3.24Å; N98-Y347 WeakPolarHBondContact O-CD2 3.46Å
99	R	97.8	Very high	98	Very high	19 Å²	19	26.4 Å²	26.4	7%	0.072	15%	0.15	C	C	.	.			trans	-71.6	140.8	-177.3	-68.9	175.7	-179	170.6	-6.2	110.1	A92 L93 N96 Q132 Y323 D327 Y347	A92-R99 VanDerWaalsContact O-CD 3.28Å; A92-R99 WeakPolarHBondContact O-CD 3.24Å; A92-R99 PolarHBondContact O-NH1 2.82Å; L93-R99 HydrophobicContact CD2-CB 3.77Å; L93-R99 WeakPolarHBondContact CD2-O 3.28Å; N96-R99 HydrophobicContact CB-CG 3.89Å; N96-R99 WeakPolarHBondContact O-CB 3.48Å; N96-R99 PolarHBondContact O-N 3.4Å; N96-R99 VanDerWaalsContact O-N 3.11Å; R99-Q132 WeakPolarHBondContact O-CB 3.33Å; R99-Q132 VanDerWaalsContact O-CG 3.28Å; R99-Q132 WeakPolarHBondContact O-CG 3.43Å; R99-Y323 HydrophobicContact CB-CD1 3.98Å; R99-Y323 HydrophobicContact CB-CE1 3.71Å; R99-Y323 HydrophobicContact CG-CD1 3.61Å; R99-Y323 HydrophobicContact CG-CE1 3.91Å; R99-Y323 HydrophobicContact CG-CG 4.26Å; R99-D327 IonicContact CZ-OD2 3.22Å; R99-D327 IonicContact NE-OD1 2.66Å; R99-D327 IonicContact NE-OD2 3.56Å; R99-D327 PolarHBondContact NE-OD2 3.36Å; R99-D327 IonicContact NH2-OD2 3.9Å; R99-D327 PolarHBondContact NH2-OD2 3.37Å; R99-Y347 HydrophobicContact CG-CE2 4.09Å
100	K	98.1	Very high	97.9	Very high	22 Å²	22	28.1 Å²	28.1	10%	0.096	16%	0.157	C	C	.	.			trans	-123.8	155.6	175.8	-59.2	-165.8	179.8	-163.8	0	111.1	S39 P54 Q132 Y323 T349	S39-K100 PolarHBondContact O-NZ 3.32Å; P54-K100 WeakPolarHBondContact CB-O 3.3Å; P54-K100 WeakPolarHBondContact CG-O 3.28Å; K100-Q132 CarbonylContact C-O 3.55Å; K100-Q132 WeakPolarHBondContact CA-O 3.5Å; K100-Y323 PolarHBondContact O-OH 3.31Å; K100-T349 HydrophobicContact CB-CG2 4.15Å; K100-T349 HydrophobicContact CD-CG2 3.99Å
101	F	98.7	Very high	97.8	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	139.9	172.5	-160.6	-107.8	0	0	0	110.7	P54 T56 V89 L93 Y103 Q132 L133 Q134 Y316 Y323	P54-F101 HydrophobicContact CB-CD2 3.7Å; P54-F101 HydrophobicContact CB-CE2 4.33Å; T56-F101 HydrophobicContact CG2-CE1 4.27Å; T56-F101 HydrophobicContact CG2-CZ 3.97Å; V89-F101 HydrophobicContact CB-CE1 4.48Å; V89-F101 HydrophobicContact CG1-CB 3.86Å; V89-F101 HydrophobicContact CG1-CD1 3.51Å; V89-F101 HydrophobicContact CG1-CD2 3.96Å; V89-F101 HydrophobicContact CG1-CE1 3.91Å; V89-F101 HydrophobicContact CG1-CE2 4.38Å; V89-F101 HydrophobicContact CG1-CG 3.5Å; V89-F101 VanDerWaalsContact CG1-CG 3.5Å; V89-F101 HydrophobicContact CG1-CZ 4.35Å; V89-F101 HydrophobicContact CG2-CD1 4.35Å; V89-F101 HydrophobicContact CG2-CD2 4.14Å; V89-F101 HydrophobicContact CG2-CE1 3.96Å; V89-F101 HydrophobicContact CG2-CE2 3.79Å; V89-F101 HydrophobicContact CG2-CG 4.4Å; V89-F101 HydrophobicContact CG2-CZ 3.68Å; L93-F101 HydrophobicContact CD1-CB 3.97Å; L93-F101 HydrophobicContact CD2-CB 4.21Å; L93-F101 HydrophobicContact CG-CB 4.48Å; F101-Y103 AromaticContact CE1-CD2 3.93Å; F101-Y103 HydrophobicContact CE1-CD2 3.93Å; F101-Q132 PolarHBondContact N-O 2.75Å; F101-L133 HydrophobicContact CB-CD1 4.22Å; F101-L133 HydrophobicContact CD1-CD1 4.08Å; F101-Q134 PolarHBondContact O-N 2.83Å; F101-Y316 HydrophobicContact CD2-CD1 4.32Å; F101-Y316 HydrophobicContact CD2-CE1 4.16Å; F101-Y316 AromaticContact CE2-CD1 3.68Å; F101-Y316 HydrophobicContact CE2-CD1 3.68Å; F101-Y316 AromaticContact CE2-CD2 3.81Å; F101-Y316 HydrophobicContact CE2-CD2 3.81Å; F101-Y316 AromaticContact CE2-CE1 3.78Å; F101-Y316 HydrophobicContact CE2-CE1 3.78Å; F101-Y316 AromaticContact CE2-CE2 3.92Å; F101-Y316 HydrophobicContact CE2-CE2 3.92Å; F101-Y316 AromaticContact CE2-CG 3.72Å; F101-Y316 HydrophobicContact CE2-CG 3.72Å; F101-Y316 AromaticContact CE2-CZ 3.92Å; F101-Y316 HydrophobicContact CZ-CD2 4.29Å; F101-Y316 HydrophobicContact CZ-CG 4.23Å; F101-Y323 WeakPolarHBondContact CB-OH 3.28Å; F101-Y323 WeakPolarHBondContact CD2-OH 3.37Å
102	T	98.7	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.5	175.2	-51.3	0	0	0	0	109.4	P54 H55 Q134 A136 P350	P54-T102 PolarHBondContact O-N 2.96Å; H55-T102 WeakPolarHBondContact CA-O 3.41Å; T102-Q134 VanDerWaalsContact CA-O 3.28Å; T102-Q134 WeakPolarHBondContact CA-O 3.06Å; T102-A136 HydrophobicContact CG2-CB 3.7Å; T102-P350 HydrophobicContact CG2-CG 3.97Å; T102-P350 WeakPolarHBondContact OG1-CD 3.34Å
103	Y	98.7	Very high	97.8	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.6	176.8	-159.4	-103.6	0	0	0	111.9	T56 D58 V82 L86 F101 E105 M106 Y108 F109 Q134 F135 A136	T56-Y103 HydrophobicContact CG2-CD2 4.06Å; T56-Y103 HydrophobicContact CG2-CE2 3.78Å; D58-Y103 VanDerWaalsContact OD2-CE2 3.24Å; D58-Y103 WeakPolarHBondContact OD2-CE2 3.35Å; D58-Y103 PolarHBondContact OD2-OH 2.69Å; V82-Y103 WeakPolarHBondContact CG1-OH 3.22Å; L86-Y103 HydrophobicContact CD2-CD1 4.45Å; L86-Y103 HydrophobicContact CD2-CD2 3.98Å; L86-Y103 HydrophobicContact CD2-CE1 4.21Å; L86-Y103 HydrophobicContact CD2-CE2 3.7Å; L86-Y103 HydrophobicContact CD2-CG 4.33Å; L86-Y103 HydrophobicContact CG-CE2 4.32Å; F101-Y103 AromaticContact CE1-CD2 3.93Å; F101-Y103 HydrophobicContact CE1-CD2 3.93Å; Y103-E105 WeakPolarHBondContact CE1-O 3.5Å; Y103-M106 HydrophobicContact CD1-CE 4Å; Y103-M106 HydrophobicContact CE1-CE 4.5Å; Y103-Y108 WeakPolarHBondContact OH-CB 3.32Å; Y103-F109 HydrophobicContact CD1-CB 4.09Å; Y103-F109 AromaticContact CD1-CD2 3.95Å; Y103-F109 HydrophobicContact CD1-CD2 3.95Å; Y103-F109 HydrophobicContact CD1-CG 4.39Å; Y103-F109 HydrophobicContact CE1-CB 3.71Å; Y103-F109 HydrophobicContact CE1-CD2 4.13Å; Y103-F109 HydrophobicContact CE1-CG 4.4Å; Y103-Q134 PolarHBondContact N-O 3.32Å; Y103-F135 HydrophobicContact CD1-CE1 4.39Å; Y103-F135 CarbonylContact O-C 3.5Å; Y103-F135 VanDerWaalsContact O-CA 3.25Å; Y103-F135 WeakPolarHBondContact O-CA 3.5Å; Y103-A136 PolarHBondContact O-N 2.73Å
104	V	98.5	Very high	97.7	Very high	5 Å²	5	32 Å²	32	3%	0.03	17%	0.168	C	C	.	.			trans	-128.8	-53.8	-164.5	-177.4	0	0	0	0	113.1	M106 A136 L137 M142 W178	V104-M106 VanDerWaalsContact O-CE 3.26Å; V104-M106 WeakPolarHBondContact O-CE 3.48Å; V104-M106 PolarHBondContact O-N 2.98Å; V104-A136 WeakPolarHBondContact CA-O 3.16Å; V104-A136 HydrophobicContact CG2-CB 4.45Å; V104-L137 HydrophobicContact CG1-CB 4.03Å; V104-L137 HydrophobicContact CG1-CD2 4.15Å; V104-M142 HydrophobicContact CG1-CE 4.25Å; V104-W178 HydrophobicContact CG2-CB 4.42Å; V104-W178 HydrophobicContact CG2-CG 4.07Å
105	E	97.8	Very high	97.6	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.014	18%	0.181	C	C	.	.			trans	-84.4	101.4	-164.1	-59.2	-66.6	163.9	0	0	112.8	D58 V60 Y103 A107 Y108 F109 S141 M142	D58-E105 HydrophobicContact CB-CG 4.43Å; D58-E105 WeakPolarHBondContact O-CG 3.47Å; V60-E105 HydrophobicContact CG2-CB 4.44Å; V60-E105 HydrophobicContact CG2-CG 4.4Å; Y103-E105 WeakPolarHBondContact CE1-O 3.5Å; E105-A107 VanDerWaalsContact C-N 3.26Å; E105-A107 PolarHBondContact O-N 2.89Å; E105-Y108 HydrophobicContact CB-CD2 4.19Å; E105-Y108 PolarHBondContact O-N 3.12Å; E105-F109 PolarHBondContact O-N 3.43Å; E105-F109 VanDerWaalsContact O-N 3.11Å; E105-S141 WeakPolarHBondContact OE2-CA 3.35Å; E105-M142 WeakPolarHBondContact OE1-CB 3.25Å; E105-M142 PolarHBondContact OE1-N 2.84Å; E105-M142 PolarHBondContact OE2-N 3.32Å
106	M	98.4	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70	-22.4	-174.4	-64.1	-60.5	99.7	0	0	113.6	Y103 V104 Y108 F109 Y110 F135 G139 W140 L163 L164	Y103-M106 HydrophobicContact CD1-CE 4Å; Y103-M106 HydrophobicContact CE1-CE 4.5Å; V104-M106 VanDerWaalsContact O-CE 3.26Å; V104-M106 WeakPolarHBondContact O-CE 3.48Å; V104-M106 PolarHBondContact O-N 2.98Å; M106-Y108 VanDerWaalsContact C-N 3.34Å; M106-Y108 PolarHBondContact O-N 3.38Å; M106-F109 HydrophobicContact CE-CB 3.98Å; M106-F109 HydrophobicContact CE-CG 4.37Å; M106-F109 PolarHBondContact O-N 3.36Å; M106-F109 HydrophobicContact SD-CB 4.14Å; M106-F109 HydrophobicContact SD-CD1 4.32Å; M106-F109 HydrophobicContact SD-CG 4.41Å; M106-Y110 VanDerWaalsContact O-CB 3.23Å; M106-Y110 WeakPolarHBondContact O-CB 3.41Å; M106-Y110 PolarHBondContact O-N 3.27Å; M106-F135 HydrophobicContact CE-CD1 3.56Å; M106-F135 HydrophobicContact CE-CE1 3.94Å; M106-F135 HydrophobicContact CE-CG 4.43Å; M106-F135 HydrophobicContact SD-CD1 4.4Å; M106-G139 VanDerWaalsContact CB-O 3.24Å; M106-G139 WeakPolarHBondContact CB-O 3.26Å; M106-G139 VanDerWaalsContact CG-O 3.24Å; M106-G139 WeakPolarHBondContact CG-O 3.4Å; M106-G139 PolarHBondContact N-O 3.15Å; M106-G139 VanDerWaalsContact N-O 3.07Å; M106-W140 HydrophobicContact CB-CE3 4.09Å; M106-L163 HydrophobicContact CB-CD2 4.19Å; M106-L164 HydrophobicContact CG-CD1 4.38Å; M106-L164 HydrophobicContact CG-CG 4.48Å; M106-L164 HydrophobicContact SD-CD1 3.85Å; M106-L164 HydrophobicContact SD-CD2 3.54Å; M106-L164 VanDerWaalsContact SD-CD2 3.54Å; M106-L164 HydrophobicContact SD-CG 3.68Å
107	A	98.3	Very high	97.7	Very high	8 Å²	8	31.2 Å²	31.2	7%	0.066	17%	0.169	C	C	.	.	H	α-helix	trans	-55.3	-49	172.4	0	0	0	0	0	111.7	V60 E105 Q111 W140	V60-A107 HydrophobicContact CG1-CB 4.05Å; E105-A107 VanDerWaalsContact C-N 3.26Å; E105-A107 PolarHBondContact O-N 2.89Å; A107-Q111 WeakPolarHBondContact O-CB 3.38Å; A107-Q111 PolarHBondContact O-N 2.99Å; A107-W140 HydrophobicContact CB-CD2 4.18Å; A107-W140 HydrophobicContact CB-CG 4.24Å; A107-W140 HydrophobicContact CB-CZ2 4.34Å; A107-W140 VanDerWaalsContact CB-O 3.27Å; A107-W140 WeakPolarHBondContact CB-O 3.33Å; A107-W140 PolarHBondContact N-O 2.95Å
108	Y	98.7	Very high	97.8	Very high	3 Å²	3	35 Å²	35	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-77.2	-38.9	177.8	-68.5	-50.8	0	0	0	112.8	D58 D59 V60 V66 Y69 Y70 V82 Y103 E105 M106 Y110 Q111 W112	D58-Y108 HydrophobicContact CB-CD2 3.78Å; D58-Y108 HydrophobicContact CB-CE2 3.92Å; D58-Y108 WeakPolarHBondContact O-CE2 3.42Å; D59-Y108 WeakPolarHBondContact O-CE2 3.31Å; D59-Y108 PolarHBondContact O-OH 3.26Å; V60-Y108 HydrophobicContact CG2-CE2 4.21Å; V66-Y108 HydrophobicContact CG1-CE1 3.75Å; V66-Y108 WeakPolarHBondContact O-CE1 3.29Å; V66-Y108 PolarHBondContact O-OH 2.05Å; Y69-Y108 VanDerWaalsContact CB-OH 3.31Å; Y69-Y108 WeakPolarHBondContact CB-OH 3.36Å; Y70-Y108 AromaticContact CD2-CD1 3.96Å; Y70-Y108 HydrophobicContact CD2-CD1 3.96Å; Y70-Y108 HydrophobicContact CG-CD1 4.44Å; V82-Y108 HydrophobicContact CB-CD1 4.46Å; V82-Y108 HydrophobicContact CB-CG 4.32Å; V82-Y108 HydrophobicContact CG1-CD1 4.44Å; V82-Y108 HydrophobicContact CG1-CD2 4.19Å; V82-Y108 HydrophobicContact CG1-CG 3.88Å; V82-Y108 HydrophobicContact CG2-CD1 4.39Å; V82-Y108 HydrophobicContact CG2-CD2 4.07Å; V82-Y108 HydrophobicContact CG2-CE1 4.43Å; V82-Y108 HydrophobicContact CG2-CE2 4.1Å; V82-Y108 HydrophobicContact CG2-CG 4.22Å; Y103-Y108 WeakPolarHBondContact OH-CB 3.32Å; E105-Y108 HydrophobicContact CB-CD2 4.19Å; E105-Y108 PolarHBondContact O-N 3.12Å; M106-Y108 VanDerWaalsContact C-N 3.34Å; M106-Y108 PolarHBondContact O-N 3.38Å; Y108-Y110 VanDerWaalsContact C-N 3.26Å; Y108-Y110 PolarHBondContact O-N 3.45Å; Y108-Q111 PolarHBondContact O-N 3.01Å; Y108-W112 WeakPolarHBondContact O-CB 3.32Å; Y108-W112 PolarHBondContact O-N 3.24Å
109	F	98.7	Very high	97.9	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-56.5	-44.8	177	-170.6	-102	0	0	0	111.3	L86 Y103 E105 M106 W112 W113 V124 F135 L167 F168	L86-F109 HydrophobicContact CD2-CD2 4.36Å; Y103-F109 HydrophobicContact CD1-CB 4.09Å; Y103-F109 AromaticContact CD1-CD2 3.95Å; Y103-F109 HydrophobicContact CD1-CD2 3.95Å; Y103-F109 HydrophobicContact CD1-CG 4.39Å; Y103-F109 HydrophobicContact CE1-CB 3.71Å; Y103-F109 HydrophobicContact CE1-CD2 4.13Å; Y103-F109 HydrophobicContact CE1-CG 4.4Å; E105-F109 PolarHBondContact O-N 3.43Å; E105-F109 VanDerWaalsContact O-N 3.11Å; M106-F109 HydrophobicContact CE-CB 3.98Å; M106-F109 HydrophobicContact CE-CG 4.37Å; M106-F109 PolarHBondContact O-N 3.36Å; M106-F109 HydrophobicContact SD-CB 4.14Å; M106-F109 HydrophobicContact SD-CD1 4.32Å; M106-F109 HydrophobicContact SD-CG 4.41Å; F109-W112 HydrophobicContact CE2-CE3 4.32Å; F109-W112 HydrophobicContact CE2-CZ3 4.29Å; F109-W112 PolarHBondContact O-N 3.1Å; F109-W113 HydrophobicContact CE1-CB 4.43Å; F109-W113 HydrophobicContact CE1-CE3 4.17Å; F109-W113 HydrophobicContact CZ-CE3 4.07Å; F109-W113 WeakPolarHBondContact O-CB 3.38Å; F109-W113 PolarHBondContact O-N 3.04Å; F109-V124 HydrophobicContact CZ-CG1 4.1Å; F109-F135 HydrophobicContact CD1-CE1 4.44Å; F109-F135 AromaticContact CD2-CE1 3.93Å; F109-F135 HydrophobicContact CD2-CE1 3.93Å; F109-F135 HydrophobicContact CD2-CZ 4.37Å; F109-F135 HydrophobicContact CE1-CE1 4.38Å; F109-F135 HydrophobicContact CE1-CZ 4.05Å; F109-F135 AromaticContact CE2-CE1 3.85Å; F109-F135 HydrophobicContact CE2-CE1 3.85Å; F109-F135 AromaticContact CE2-CZ 3.86Å; F109-F135 HydrophobicContact CE2-CZ 3.86Å; F109-F135 HydrophobicContact CG-CE1 4.23Å; F109-F135 HydrophobicContact CZ-CE1 4.09Å; F109-F135 AromaticContact CZ-CZ 3.69Å; F109-F135 HydrophobicContact CZ-CZ 3.69Å; F109-L167 HydrophobicContact CE1-CD1 3.98Å; F109-F168 AromaticContact CE1-CE2 3.6Å; F109-F168 HydrophobicContact CE1-CE2 3.6Å; F109-F168 AromaticContact CE1-CZ 3.73Å; F109-F168 HydrophobicContact CE1-CZ 3.73Å; F109-F168 AromaticContact CZ-CE2 3.87Å; F109-F168 HydrophobicContact CZ-CE2 3.87Å; F109-F168 AromaticContact CZ-CZ 3.64Å; F109-F168 HydrophobicContact CZ-CZ 3.64Å
110	Y	97.5	Very high	98	Very high	38 Å²	38	37.4 Å²	37.4	15%	0.149	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-48.3	179.6	-178	-110.5	0	0	0	112.1	M106 Y108 W112 W113 I114 W140 L163 V1045 V1046	M106-Y110 VanDerWaalsContact O-CB 3.23Å; M106-Y110 WeakPolarHBondContact O-CB 3.41Å; M106-Y110 PolarHBondContact O-N 3.27Å; Y108-Y110 VanDerWaalsContact C-N 3.26Å; Y108-Y110 PolarHBondContact O-N 3.45Å; Y110-W112 PolarHBondContact O-N 2.89Å; Y110-W113 PolarHBondContact O-N 3.1Å; Y110-W113 VanDerWaalsContact O-N 3.11Å; Y110-I114 HydrophobicContact CD1-CG2 4.48Å; Y110-I114 HydrophobicContact CD2-CG2 4.02Å; Y110-I114 HydrophobicContact CE1-CG2 4.02Å; Y110-I114 HydrophobicContact CE2-CG2 3.48Å; Y110-I114 VanDerWaalsContact CE2-CG2 3.48Å; Y110-I114 HydrophobicContact CG-CG2 4.49Å; Y110-I114 VanDerWaalsContact CZ-CG2 3.47Å; Y110-I114 PolarHBondContact O-N 3.35Å; Y110-I114 VanDerWaalsContact O-N 3.08Å; Y110-W140 AromaticContact CD1-CH2 3.65Å; Y110-W140 HydrophobicContact CD1-CH2 3.65Å; Y110-W140 HydrophobicContact CD1-CZ3 4.42Å; Y110-W140 HydrophobicContact CE1-CH2 4.5Å; Y110-W140 AromaticContact CG-CH2 3.92Å; Y110-W140 HydrophobicContact CG-CH2 3.92Å; Y110-W140 HydrophobicContact CG-CZ3 4.26Å; Y110-L163 HydrophobicContact CD2-CD1 3.61Å; Y110-L163 HydrophobicContact CD2-CD2 4.01Å; Y110-L163 HydrophobicContact CD2-CG 4.49Å; Y110-L163 HydrophobicContact CE2-CD1 4.09Å; Y110-L163 HydrophobicContact CG-CD2 4.24Å; Y110-V1045 HydrophobicContact CE2-CG1 4.21Å; Y110-V1045 PolarHBondContact OH-O 3.38Å; Y110-V1046 HydrophobicContact CE2-CG2 4.24Å
111	Q	96.7	Very high	98	Very high	61 Å²	61	38.7 Å²	38.7	29%	0.285	19%	0.192	S	C	.	.	H	α-helix	trans	-54	-43.3	176.4	-173.3	100	-14.7	0	0	111.4	Y70 A107 Y108 I114	Y70-Q111 HydrophobicContact CD1-CG 3.88Å; Y70-Q111 HydrophobicContact CD2-CB 4.22Å; Y70-Q111 HydrophobicContact CD2-CG 3.82Å; Y70-Q111 HydrophobicContact CE1-CG 3.63Å; Y70-Q111 HydrophobicContact CE2-CB 3.89Å; Y70-Q111 HydrophobicContact CE2-CG 3.57Å; Y70-Q111 HydrophobicContact CG-CG 3.97Å; Y70-Q111 VanDerWaalsContact CZ-CG 3.48Å; Y70-Q111 PolarHBondContact OH-O 3.37Å; A107-Q111 WeakPolarHBondContact O-CB 3.38Å; A107-Q111 PolarHBondContact O-N 2.99Å; Y108-Q111 PolarHBondContact O-N 3.01Å; Q111-I114 WeakPolarHBondContact O-CG1 3.16Å
112	W	98.6	Very high	98	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.011	22%	0.217	C	C	.	.	H	α-helix	trans	-68.1	-46.7	175.2	178.1	84	0	0	0	112.3	Y70 L86 D87 V90 Y108 F109 Y110 I114 V115 Q116 I120 V124	Y70-W112 HydrophobicContact CE2-CB 4.08Å; Y70-W112 VanDerWaalsContact OH-CA 3.29Å; Y70-W112 WeakPolarHBondContact OH-CA 3.39Å; L86-W112 HydrophobicContact CB-CD2 3.79Å; L86-W112 HydrophobicContact CB-CG 3.82Å; L86-W112 HydrophobicContact CB-CZ2 4.32Å; L86-W112 HydrophobicContact CD1-CB 3.38Å; L86-W112 HydrophobicContact CD1-CD2 3.86Å; L86-W112 HydrophobicContact CD1-CE3 4.32Å; L86-W112 HydrophobicContact CD1-CG 3.43Å; L86-W112 VanDerWaalsContact CD1-CG 3.43Å; L86-W112 HydrophobicContact CG-CD2 4.39Å; L86-W112 HydrophobicContact CG-CG 4.26Å; D87-W112 PolarHBondContact OD1-NE1 2.86Å; V90-W112 HydrophobicContact CG2-CH2 3.81Å; V90-W112 HydrophobicContact CG2-CZ2 4.14Å; Y108-W112 WeakPolarHBondContact O-CB 3.32Å; Y108-W112 PolarHBondContact O-N 3.24Å; F109-W112 HydrophobicContact CE2-CE3 4.32Å; F109-W112 HydrophobicContact CE2-CZ3 4.29Å; F109-W112 PolarHBondContact O-N 3.1Å; Y110-W112 PolarHBondContact O-N 2.89Å; W112-I114 PolarHBondContact O-N 3.22Å; W112-V115 VanDerWaalsContact O-CG2 3.24Å; W112-V115 WeakPolarHBondContact O-CG2 3.46Å; W112-V115 PolarHBondContact O-N 3.46Å; W112-Q116 HydrophobicContact CD2-CG 3.93Å; W112-Q116 VanDerWaalsContact CE2-CD 3.47Å; W112-Q116 VanDerWaalsContact CE2-NE2 3.33Å; W112-Q116 HydrophobicContact CE3-CG 3.98Å; W112-Q116 HydrophobicContact CH2-CG 3.76Å; W112-Q116 HydrophobicContact CZ2-CG 3.72Å; W112-Q116 HydrophobicContact CZ3-CG 3.9Å; W112-Q116 VanDerWaalsContact NE1-NE2 3.15Å; W112-Q116 VanDerWaalsContact O-CG 3.29Å; W112-Q116 WeakPolarHBondContact O-CG 3.38Å; W112-Q116 PolarHBondContact O-NE2 3.43Å; W112-I120 HydrophobicContact CH2-CG2 3.82Å; W112-I120 HydrophobicContact CZ2-CG2 4.07Å; W112-V124 HydrophobicContact CH2-CG2 3.61Å; W112-V124 HydrophobicContact CZ3-CG2 3.92Å
113	W	98	Very high	97.9	Very high	10 Å²	10	46 Å²	46	4%	0.038	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-44.9	-174.9	174.3	-95	0	0	0	113	F109 Y110 V115 Q116 K121 V124 K125 L167 F168	F109-W113 HydrophobicContact CE1-CB 4.43Å; F109-W113 HydrophobicContact CE1-CE3 4.17Å; F109-W113 HydrophobicContact CZ-CE3 4.07Å; F109-W113 WeakPolarHBondContact O-CB 3.38Å; F109-W113 PolarHBondContact O-N 3.04Å; Y110-W113 PolarHBondContact O-N 3.1Å; Y110-W113 VanDerWaalsContact O-N 3.11Å; W113-V115 PolarHBondContact O-N 3.11Å; W113-Q116 PolarHBondContact O-N 2.91Å; W113-Q116 VanDerWaalsContact O-N 3.11Å; W113-K121 HydrophobicContact CD2-CG 4.19Å; W113-K121 HydrophobicContact CE3-CG 4.22Å; W113-K121 HydrophobicContact CH2-CB 3.61Å; W113-K121 HydrophobicContact CH2-CD 4.5Å; W113-K121 HydrophobicContact CH2-CG 3.71Å; W113-K121 HydrophobicContact CZ2-CB 3.87Å; W113-K121 HydrophobicContact CZ2-CD 3.95Å; W113-K121 HydrophobicContact CZ2-CG 3.66Å; W113-K121 HydrophobicContact CZ3-CB 4.13Å; W113-K121 HydrophobicContact CZ3-CG 4Å; W113-K121 WeakPolarHBondContact O-CE 3.44Å; W113-K121 PolarHBondContact O-NZ 2.92Å; W113-V124 HydrophobicContact CE3-CG1 4.42Å; W113-V124 HydrophobicContact CZ3-CB 3.91Å; W113-V124 HydrophobicContact CZ3-CG1 3.81Å; W113-K125 HydrophobicContact CH2-CG 4.24Å; W113-L167 HydrophobicContact CD2-CD1 3.98Å; W113-L167 HydrophobicContact CD2-CD2 4.44Å; W113-L167 HydrophobicContact CG-CD1 4.07Å; W113-L167 HydrophobicContact CZ2-CD1 4.47Å; W113-L167 HydrophobicContact CZ2-CD2 3.76Å; W113-L167 VanDerWaalsContact NE1-CD2 3.29Å; W113-F168 HydrophobicContact CE3-CZ 4.28Å; W113-F168 HydrophobicContact CH2-CE1 4.11Å; W113-F168 HydrophobicContact CH2-CZ 4.21Å; W113-F168 HydrophobicContact CZ3-CE1 4.03Å; W113-F168 AromaticContact CZ3-CZ 3.83Å; W113-F168 HydrophobicContact CZ3-CZ 3.83Å
114	I	95.5	Very high	97.9	Very high	78 Å²	78	46 Å²	46	40%	0.4	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-32.6	-171.5	57.6	173.8	0	0	0	112.7	Y110 Q111 W112 K121	Y110-I114 HydrophobicContact CD1-CG2 4.48Å; Y110-I114 HydrophobicContact CD2-CG2 4.02Å; Y110-I114 HydrophobicContact CE1-CG2 4.02Å; Y110-I114 HydrophobicContact CE2-CG2 3.48Å; Y110-I114 VanDerWaalsContact CE2-CG2 3.48Å; Y110-I114 HydrophobicContact CG-CG2 4.49Å; Y110-I114 VanDerWaalsContact CZ-CG2 3.47Å; Y110-I114 PolarHBondContact O-N 3.35Å; Y110-I114 VanDerWaalsContact O-N 3.08Å; Q111-I114 WeakPolarHBondContact O-CG1 3.16Å; W112-I114 PolarHBondContact O-N 3.22Å; I114-K121 PolarHBondContact O-NZ 3.31Å
115	V	96.5	Very high	97.9	Very high	102 Å²	102	50.1 Å²	50.1	62%	0.618	24%	0.244	S	C	*	.	H	α-helix	trans	-86.6	-7.4	-179.6	-59.5	0	0	0	0	114.2	W112 W113	W112-V115 VanDerWaalsContact O-CG2 3.24Å; W112-V115 WeakPolarHBondContact O-CG2 3.46Å; W112-V115 PolarHBondContact O-N 3.46Å; W113-V115 PolarHBondContact O-N 3.11Å
116	Q	97.8	Very high	97.8	Very high	32 Å²	32	53.2 Å²	53.2	15%	0.15	26%	0.261	C	S	.	.	S	Bend	trans	-73	149.9	-178.6	-61	-46.5	-49.6	0	0	113.4	W112 W113 I120 K121	W112-Q116 HydrophobicContact CD2-CG 3.93Å; W112-Q116 VanDerWaalsContact CE2-CD 3.47Å; W112-Q116 VanDerWaalsContact CE2-NE2 3.33Å; W112-Q116 HydrophobicContact CE3-CG 3.98Å; W112-Q116 HydrophobicContact CH2-CG 3.76Å; W112-Q116 HydrophobicContact CZ2-CG 3.72Å; W112-Q116 HydrophobicContact CZ3-CG 3.9Å; W112-Q116 VanDerWaalsContact NE1-NE2 3.15Å; W112-Q116 VanDerWaalsContact O-CG 3.29Å; W112-Q116 WeakPolarHBondContact O-CG 3.38Å; W112-Q116 PolarHBondContact O-NE2 3.43Å; W113-Q116 PolarHBondContact O-N 2.91Å; W113-Q116 VanDerWaalsContact O-N 3.11Å; Q116-I120 HydrophobicContact CB-CB 4.2Å; Q116-I120 HydrophobicContact CB-CG2 4.03Å; Q116-I120 HydrophobicContact CG-CG2 4.01Å; Q116-K121 HydrophobicContact CB-CG 4.04Å; Q116-K121 VanDerWaalsContact O-CE 3.24Å; Q116-K121 WeakPolarHBondContact O-CE 3.33Å; Q116-K121 PolarHBondContact O-NZ 2.85Å
117	T	98	Very high	97.8	Very high	73 Å²	73	53.2 Å²	53.2	45%	0.448	26%	0.261	S	S	.	.			trans	-68.1	163.9	174.3	81.8	0	0	0	0	111.6	E119 I120 K121	T117-E119 WeakPolarHBondContact CB-OE2 3.13Å; T117-E119 PolarHBondContact O-N 3.14Å; T117-E119 PolarHBondContact OG1-N 3.27Å; T117-E119 PolarHBondContact OG1-OE2 3.08Å; T117-I120 PolarHBondContact O-N 3.28Å; T117-I120 PolarHBondContact OG1-N 3.03Å; T117-K121 WeakPolarHBondContact O-CB 3.32Å; T117-K121 WeakPolarHBondContact O-CG 3.4Å; T117-K121 PolarHBondContact O-N 3.18Å
118	K	97.7	Very high	97.7	Very high	159 Å²	159	53 Å²	53	69%	0.691	26%	0.259	S	S	*	.	H	α-helix	trans	-60	-37.5	177.8	-71.3	-178.2	179.4	178.1	0	111.2	K121 H122	K118-K121 PolarHBondContact O-N 2.66Å; K118-H122 PolarHBondContact O-N 3.29Å; K118-H122 PolarHBondContact O-ND1 2.96Å
119	E	98.2	Very high	97.6	Very high	132 Å²	132	57.7 Å²	57.7	62%	0.617	28%	0.279	S	S	*	.	H	α-helix	trans	-65.1	-47.5	-178.5	-58.6	67.4	-141.5	0	0	110.7	T117 H122 L123	T117-E119 WeakPolarHBondContact CB-OE2 3.13Å; T117-E119 PolarHBondContact O-N 3.14Å; T117-E119 PolarHBondContact OG1-N 3.27Å; T117-E119 PolarHBondContact OG1-OE2 3.08Å; E119-H122 PolarHBondContact O-N 2.56Å; E119-L123 PolarHBondContact O-N 2.97Å
120	I	98.4	Very high	97.4	Very high	52 Å²	52	59.6 Å²	59.6	27%	0.267	29%	0.293	S	S	.	.	H	α-helix	trans	-64.2	-42.3	175.9	-61.3	-58.6	0	0	0	111	W112 Q116 T117 H122 L123 V124	W112-I120 HydrophobicContact CH2-CG2 3.82Å; W112-I120 HydrophobicContact CZ2-CG2 4.07Å; Q116-I120 HydrophobicContact CB-CB 4.2Å; Q116-I120 HydrophobicContact CB-CG2 4.03Å; Q116-I120 HydrophobicContact CG-CG2 4.01Å; T117-I120 PolarHBondContact O-N 3.28Å; T117-I120 PolarHBondContact OG1-N 3.03Å; I120-H122 VanDerWaalsContact C-N 3.3Å; I120-H122 PolarHBondContact O-N 3.18Å; I120-L123 WeakPolarHBondContact O-CB 3.5Å; I120-L123 PolarHBondContact O-N 3.41Å; I120-V124 HydrophobicContact CG2-CG2 4.29Å; I120-V124 VanDerWaalsContact O-CG2 3.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.49Å; I120-V124 PolarHBondContact O-N 3.32Å
121	K	98.3	Very high	97.3	Very high	50 Å²	50	58 Å²	58	22%	0.217	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-39.3	175.2	-73.2	175	174.1	163.1	0	112.4	W113 I114 Q116 T117 K118 K125	W113-K121 HydrophobicContact CD2-CG 4.19Å; W113-K121 HydrophobicContact CE3-CG 4.22Å; W113-K121 HydrophobicContact CH2-CB 3.61Å; W113-K121 HydrophobicContact CH2-CD 4.5Å; W113-K121 HydrophobicContact CH2-CG 3.71Å; W113-K121 HydrophobicContact CZ2-CB 3.87Å; W113-K121 HydrophobicContact CZ2-CD 3.95Å; W113-K121 HydrophobicContact CZ2-CG 3.66Å; W113-K121 HydrophobicContact CZ3-CB 4.13Å; W113-K121 HydrophobicContact CZ3-CG 4Å; W113-K121 WeakPolarHBondContact O-CE 3.44Å; W113-K121 PolarHBondContact O-NZ 2.92Å; I114-K121 PolarHBondContact O-NZ 3.31Å; Q116-K121 HydrophobicContact CB-CG 4.04Å; Q116-K121 VanDerWaalsContact O-CE 3.24Å; Q116-K121 WeakPolarHBondContact O-CE 3.33Å; Q116-K121 PolarHBondContact O-NZ 2.85Å; T117-K121 WeakPolarHBondContact O-CB 3.32Å; T117-K121 WeakPolarHBondContact O-CG 3.4Å; T117-K121 PolarHBondContact O-N 3.18Å; K118-K121 PolarHBondContact O-N 2.66Å; K121-K125 VanDerWaalsContact O-CG 3.32Å; K121-K125 WeakPolarHBondContact O-CG 3.42Å; K121-K125 PolarHBondContact O-N 3.02Å; K121-K125 VanDerWaalsContact O-N 3.16Å
122	H	98	Very high	97.3	Very high	115 Å²	115	55.7 Å²	55.7	53%	0.532	28%	0.277	S	S	.	.	H	α-helix	trans	-68.1	-45.5	174.5	-76.7	84	0	0	0	111.7	K118 E119 I120 V124 K125 D126	K118-H122 PolarHBondContact O-N 3.29Å; K118-H122 PolarHBondContact O-ND1 2.96Å; E119-H122 PolarHBondContact O-N 2.56Å; I120-H122 VanDerWaalsContact C-N 3.3Å; I120-H122 PolarHBondContact O-N 3.18Å; H122-V124 VanDerWaalsContact C-N 3.33Å; H122-V124 PolarHBondContact O-N 2.86Å; H122-K125 WeakPolarHBondContact O-CB 3.46Å; H122-K125 PolarHBondContact O-N 2.89Å; H122-K125 VanDerWaalsContact O-N 3.15Å; H122-D126 PolarHBondContact O-N 2.89Å
123	L	98.3	Very high	97.3	Very high	41 Å²	41	55.8 Å²	55.8	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-55.5	-47.6	176	173.3	61.6	0	0	0	111.7	V90 A94 E119 I120 K125 D126 L127	V90-L123 HydrophobicContact CG1-CD2 3.75Å; V90-L123 HydrophobicContact CG1-CG 4.23Å; A94-L123 HydrophobicContact CB-CD1 3.92Å; A94-L123 HydrophobicContact CB-CD2 4.04Å; E119-L123 PolarHBondContact O-N 2.97Å; I120-L123 WeakPolarHBondContact O-CB 3.5Å; I120-L123 PolarHBondContact O-N 3.41Å; L123-K125 VanDerWaalsContact C-N 3.34Å; L123-K125 PolarHBondContact O-N 3.48Å; L123-D126 WeakPolarHBondContact O-CB 3.33Å; L123-D126 PolarHBondContact O-N 2.82Å; L123-D126 VanDerWaalsContact O-N 3.15Å; L123-L127 HydrophobicContact CD1-CD1 4.38Å; L123-L127 HydrophobicContact CD1-CG 4.24Å; L123-L127 HydrophobicContact CG-CD1 4.21Å; L123-L127 HydrophobicContact CG-CG 4.48Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.45Å
124	V	98.4	Very high	97.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-41.7	178.4	174.6	0	0	0	0	111.3	V90 F109 W112 W113 I120 H122 D126 L127 V128 L133 F168	V90-V124 HydrophobicContact CG1-CG2 4Å; V90-V124 HydrophobicContact CG2-CG2 3.91Å; F109-V124 HydrophobicContact CZ-CG1 4.1Å; W112-V124 HydrophobicContact CH2-CG2 3.61Å; W112-V124 HydrophobicContact CZ3-CG2 3.92Å; W113-V124 HydrophobicContact CE3-CG1 4.42Å; W113-V124 HydrophobicContact CZ3-CB 3.91Å; W113-V124 HydrophobicContact CZ3-CG1 3.81Å; I120-V124 HydrophobicContact CG2-CG2 4.29Å; I120-V124 VanDerWaalsContact O-CG2 3.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.49Å; I120-V124 PolarHBondContact O-N 3.32Å; H122-V124 VanDerWaalsContact C-N 3.33Å; H122-V124 PolarHBondContact O-N 2.86Å; V124-D126 VanDerWaalsContact C-N 3.27Å; V124-D126 PolarHBondContact O-N 2.87Å; V124-L127 PolarHBondContact O-N 3.24Å; V124-V128 HydrophobicContact CG1-CG2 4.45Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-V128 PolarHBondContact O-N 3.15Å; V124-L133 HydrophobicContact CG1-CD2 4.04Å; V124-F168 HydrophobicContact CG1-CE1 3.95Å; V124-F168 HydrophobicContact CG1-CZ 3.94Å
125	K	97.3	Very high	97.4	Very high	91 Å²	91	52.5 Å²	52.5	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-57.9	-42.2	174.4	-75.8	176.3	178.4	-168.7	0	111.4	W113 K121 H122 L123 V128 K129 L167 F168	W113-K125 HydrophobicContact CH2-CG 4.24Å; K121-K125 VanDerWaalsContact O-CG 3.32Å; K121-K125 WeakPolarHBondContact O-CG 3.42Å; K121-K125 PolarHBondContact O-N 3.02Å; K121-K125 VanDerWaalsContact O-N 3.16Å; H122-K125 WeakPolarHBondContact O-CB 3.46Å; H122-K125 PolarHBondContact O-N 2.89Å; H122-K125 VanDerWaalsContact O-N 3.15Å; L123-K125 VanDerWaalsContact C-N 3.34Å; L123-K125 PolarHBondContact O-N 3.48Å; K125-V128 PolarHBondContact O-N 3.44Å; K125-K129 VanDerWaalsContact O-CB 3.29Å; K125-K129 WeakPolarHBondContact O-CB 3.12Å; K125-K129 PolarHBondContact O-N 2.93Å; K125-L167 WeakPolarHBondContact CE-O 3.26Å; K125-F168 HydrophobicContact CG-CD1 3.92Å; K125-F168 HydrophobicContact CG-CE1 3.84Å
126	D	96.3	Very high	97.5	Very high	69 Å²	69	47.7 Å²	47.7	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-66.9	-41	177.5	-71.1	-24.6	0	0	0	112.3	Y29 H122 L123 V124 V128 K129 S130	Y29-D126 HydrophobicContact CE1-CB 4.06Å; H122-D126 PolarHBondContact O-N 2.89Å; L123-D126 WeakPolarHBondContact O-CB 3.33Å; L123-D126 PolarHBondContact O-N 2.82Å; L123-D126 VanDerWaalsContact O-N 3.15Å; V124-D126 VanDerWaalsContact C-N 3.27Å; V124-D126 PolarHBondContact O-N 2.87Å; D126-V128 VanDerWaalsContact C-N 3.34Å; D126-V128 PolarHBondContact O-N 2.82Å; D126-K129 PolarHBondContact O-N 3.3Å; D126-S130 WeakPolarHBondContact O-CB 3.32Å; D126-S130 PolarHBondContact O-N 2.89Å; D126-S130 PolarHBondContact O-OG 3.47Å
127	L	97.7	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-37.5	175.4	-68.8	176.2	0	0	0	112.8	V90 L93 L123 V124 S130 G131 Q132 L133	V90-L127 HydrophobicContact CG1-CD1 4.13Å; L93-L127 HydrophobicContact CB-CD1 3.84Å; L93-L127 HydrophobicContact CB-CD2 3.76Å; L93-L127 HydrophobicContact CB-CG 4.42Å; L93-L127 HydrophobicContact CD1-CD1 4.16Å; L123-L127 HydrophobicContact CD1-CD1 4.38Å; L123-L127 HydrophobicContact CD1-CG 4.24Å; L123-L127 HydrophobicContact CG-CD1 4.21Å; L123-L127 HydrophobicContact CG-CG 4.48Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.45Å; V124-L127 PolarHBondContact O-N 3.24Å; L127-S130 PolarHBondContact O-OG 3.02Å; L127-S130 VanDerWaalsContact O-OG 3.1Å; L127-G131 PolarHBondContact O-N 3.07Å; L127-Q132 HydrophobicContact CD2-CB 4.18Å; L127-Q132 PolarHBondContact O-N 3.19Å; L127-L133 HydrophobicContact CB-CB 4.08Å; L127-L133 PolarHBondContact O-N 2.96Å
128	V	97.7	Very high	97.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-69	-44.4	174.2	172.4	0	0	0	0	110.5	V124 K125 D126 S130 G131 L133 F135 F168 C171	V124-V128 HydrophobicContact CG1-CG2 4.45Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-V128 PolarHBondContact O-N 3.15Å; K125-V128 PolarHBondContact O-N 3.44Å; D126-V128 VanDerWaalsContact C-N 3.34Å; D126-V128 PolarHBondContact O-N 2.82Å; V128-S130 VanDerWaalsContact C-N 3.3Å; V128-S130 PolarHBondContact O-N 2.83Å; V128-G131 PolarHBondContact O-N 3.4Å; V128-G131 VanDerWaalsContact O-N 3.08Å; V128-L133 WeakPolarHBondContact CA-O 3.28Å; V128-L133 HydrophobicContact CG2-CB 4.16Å; V128-L133 HydrophobicContact CG2-CD2 3.98Å; V128-L133 HydrophobicContact CG2-CG 4.15Å; V128-F135 HydrophobicContact CG1-CE2 4.34Å; V128-F135 HydrophobicContact CG2-CE2 3.72Å; V128-F135 HydrophobicContact CG2-CZ 4.16Å; V128-F168 HydrophobicContact CB-CD1 4.09Å; V128-F168 HydrophobicContact CB-CG 4.46Å; V128-F168 HydrophobicContact CG1-CB 4.03Å; V128-F168 HydrophobicContact CG1-CD1 4.15Å; V128-F168 HydrophobicContact CG1-CG 4.04Å; V128-F168 HydrophobicContact CG2-CD1 4Å; V128-F168 HydrophobicContact CG2-CE1 4.01Å; V128-F168 HydrophobicContact CG2-CG 4.37Å; V128-F168 HydrophobicContact CG2-CZ 4.35Å; V128-C171 HydrophobicContact CG1-CB 4.23Å; V128-C171 WeakPolarHBondContact CG1-O 3.45Å
129	K	95.4	Very high	97.5	Very high	102 Å²	102	35.1 Å²	35.1	44%	0.443	17%	0.171	S	C	.	.	H	α-helix	trans	-65.7	-31.8	-179.4	-158.6	-168.9	-174.9	-155.5	0	112.9	S33 K125 D126 G131	S33-K129 WeakPolarHBondContact OG-CD 3.35Å; S33-K129 WeakPolarHBondContact OG-CE 3.36Å; S33-K129 VanDerWaalsContact OG-CG 3.27Å; S33-K129 WeakPolarHBondContact OG-CG 3.24Å; S33-K129 PolarHBondContact OG-NZ 3.15Å; K125-K129 VanDerWaalsContact O-CB 3.29Å; K125-K129 WeakPolarHBondContact O-CB 3.12Å; K125-K129 PolarHBondContact O-N 2.93Å; D126-K129 PolarHBondContact O-N 3.3Å; K129-G131 VanDerWaalsContact C-N 3.31Å
130	S	94.3	Very high	97.5	Very high	41 Å²	41	29.2 Å²	29.2	29%	0.287	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.8	174.6	68.7	0	0	0	0	113.7	D126 L127 V128 Q132	D126-S130 WeakPolarHBondContact O-CB 3.32Å; D126-S130 PolarHBondContact O-N 2.89Å; D126-S130 PolarHBondContact O-OG 3.47Å; L127-S130 PolarHBondContact O-OG 3.02Å; L127-S130 VanDerWaalsContact O-OG 3.1Å; V128-S130 VanDerWaalsContact C-N 3.3Å; V128-S130 PolarHBondContact O-N 2.83Å; S130-Q132 VanDerWaalsContact C-N 3.28Å; S130-Q132 WeakPolarHBondContact OG-CG 3.42Å; S130-Q132 PolarHBondContact OG-OE1 2.73Å
131	G	95.5	Very high	97.5	Very high	4 Å²	4	26.7 Å²	26.7	4%	0.041	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	14.3	-175.3	0	0	0	0	0	114.2	L127 V128 K129	L127-G131 PolarHBondContact O-N 3.07Å; V128-G131 PolarHBondContact O-N 3.4Å; V128-G131 VanDerWaalsContact O-N 3.08Å; K129-G131 VanDerWaalsContact C-N 3.31Å
132	Q	97	Very high	97.5	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.061	12%	0.12	C	C	.	.	S	Bend	trans	-74.9	-43.8	172	-73.6	-178.8	-130	0	0	111.3	L93 P97 R99 K100 F101 L127 S130	L93-Q132 HydrophobicContact CD2-CB 4.45Å; L93-Q132 PolarHBondContact O-NE2 2.7Å; P97-Q132 VanDerWaalsContact CA-OE1 3.32Å; P97-Q132 PolarHBondContact O-OE1 3.17Å; R99-Q132 WeakPolarHBondContact O-CB 3.33Å; R99-Q132 VanDerWaalsContact O-CG 3.28Å; R99-Q132 WeakPolarHBondContact O-CG 3.43Å; K100-Q132 CarbonylContact C-O 3.55Å; K100-Q132 WeakPolarHBondContact CA-O 3.5Å; F101-Q132 PolarHBondContact N-O 2.75Å; L127-Q132 HydrophobicContact CD2-CB 4.18Å; L127-Q132 PolarHBondContact O-N 3.19Å; S130-Q132 VanDerWaalsContact C-N 3.28Å; S130-Q132 WeakPolarHBondContact OG-CG 3.42Å; S130-Q132 PolarHBondContact OG-OE1 2.73Å
133	L	98.2	Very high	97.6	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.026	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119	168.3	179.8	61.1	0	0	0	108.3	L93 F101 V124 L127 V128 F135	L93-L133 HydrophobicContact CD1-CB 3.97Å; L93-L133 HydrophobicContact CD1-CD1 4.46Å; F101-L133 HydrophobicContact CB-CD1 4.22Å; F101-L133 HydrophobicContact CD1-CD1 4.08Å; V124-L133 HydrophobicContact CG1-CD2 4.04Å; L127-L133 HydrophobicContact CB-CB 4.08Å; L127-L133 PolarHBondContact O-N 2.96Å; V128-L133 WeakPolarHBondContact CA-O 3.28Å; V128-L133 HydrophobicContact CG2-CB 4.16Å; V128-L133 HydrophobicContact CG2-CD2 3.98Å; V128-L133 HydrophobicContact CG2-CG 4.15Å; L133-F135 HydrophobicContact CD2-CZ 4.26Å; L133-F135 HydrophobicContact CG-CZ 4.5Å
134	Q	97.9	Very high	97.6	Very high	15 Å²	15	16.9 Å²	16.9	7%	0.07	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.3	177	-171	168.4	52.3	0	0	110.7	F101 T102 Y103 T349	F101-Q134 PolarHBondContact O-N 2.83Å; T102-Q134 VanDerWaalsContact CA-O 3.28Å; T102-Q134 WeakPolarHBondContact CA-O 3.06Å; Y103-Q134 PolarHBondContact N-O 3.32Å; Q134-T349 HydrophobicContact CB-CG2 3.97Å; Q134-T349 PolarHBondContact OE1-OG1 3.32Å
135	F	98.6	Very high	97.6	Very high	3 Å²	3	17 Å²	17	1%	0.013	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	141.5	174.7	-56.7	-73.7	0	0	0	110.9	Y103 M106 F109 V128 L133 L164 F168 G172 P174	Y103-F135 HydrophobicContact CD1-CE1 4.39Å; Y103-F135 CarbonylContact O-C 3.5Å; Y103-F135 VanDerWaalsContact O-CA 3.25Å; Y103-F135 WeakPolarHBondContact O-CA 3.5Å; M106-F135 HydrophobicContact CE-CD1 3.56Å; M106-F135 HydrophobicContact CE-CE1 3.94Å; M106-F135 HydrophobicContact CE-CG 4.43Å; M106-F135 HydrophobicContact SD-CD1 4.4Å; F109-F135 HydrophobicContact CD1-CE1 4.44Å; F109-F135 AromaticContact CD2-CE1 3.93Å; F109-F135 HydrophobicContact CD2-CE1 3.93Å; F109-F135 HydrophobicContact CD2-CZ 4.37Å; F109-F135 HydrophobicContact CE1-CE1 4.38Å; F109-F135 HydrophobicContact CE1-CZ 4.05Å; F109-F135 AromaticContact CE2-CE1 3.85Å; F109-F135 HydrophobicContact CE2-CE1 3.85Å; F109-F135 AromaticContact CE2-CZ 3.86Å; F109-F135 HydrophobicContact CE2-CZ 3.86Å; F109-F135 HydrophobicContact CG-CE1 4.23Å; F109-F135 HydrophobicContact CZ-CE1 4.09Å; F109-F135 AromaticContact CZ-CZ 3.69Å; F109-F135 HydrophobicContact CZ-CZ 3.69Å; V128-F135 HydrophobicContact CG1-CE2 4.34Å; V128-F135 HydrophobicContact CG2-CE2 3.72Å; V128-F135 HydrophobicContact CG2-CZ 4.16Å; L133-F135 HydrophobicContact CD2-CZ 4.26Å; L133-F135 HydrophobicContact CG-CZ 4.5Å; F135-L164 HydrophobicContact CB-CD1 4.09Å; F135-L164 HydrophobicContact CD1-CD2 4.09Å; F135-L164 HydrophobicContact CD2-CD1 4.41Å; F135-L164 HydrophobicContact CD2-CD2 3.49Å; F135-L164 VanDerWaalsContact CD2-CD2 3.49Å; F135-L164 HydrophobicContact CE1-CD2 4.12Å; F135-L164 HydrophobicContact CE2-CD2 3.53Å; F135-L164 HydrophobicContact CG-CD1 4.21Å; F135-L164 HydrophobicContact CG-CD2 3.77Å; F135-L164 HydrophobicContact CZ-CD2 3.86Å; F135-F168 AromaticContact CE2-CD2 3.72Å; F135-F168 HydrophobicContact CE2-CD2 3.72Å; F135-F168 AromaticContact CE2-CE2 3.67Å; F135-F168 HydrophobicContact CE2-CE2 3.67Å; F135-F168 HydrophobicContact CE2-CZ 4.43Å; F135-F168 HydrophobicContact CZ-CD2 4.25Å; F135-F168 AromaticContact CZ-CE2 3.71Å; F135-F168 HydrophobicContact CZ-CE2 3.71Å; F135-F168 HydrophobicContact CZ-CZ 4.29Å; F135-G172 WeakPolarHBondContact CD2-O 3.36Å; F135-P174 HydrophobicContact CB-CG 4.37Å; F135-P174 WeakPolarHBondContact O-CA 3.28Å
136	A	98.5	Very high	97.6	Very high	2 Å²	2	12.7 Å²	12.7	2%	0.017	7%	0.066	C	C	.	.	S	Bend	trans	-122	149.6	168.4	0	0	0	0	0	109	T102 Y103 V104 G138 V176 W178	T102-A136 HydrophobicContact CG2-CB 3.7Å; Y103-A136 PolarHBondContact O-N 2.73Å; V104-A136 WeakPolarHBondContact CA-O 3.16Å; V104-A136 HydrophobicContact CG2-CB 4.45Å; A136-G138 PolarHBondContact O-N 2.84Å; A136-V176 HydrophobicContact CB-CG2 4.22Å; A136-W178 HydrophobicContact CB-CB 3.82Å; A136-W178 HydrophobicContact CB-CG 4.27Å
137	L	98.6	Very high	97.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	60.2	-47	-170.5	-172.8	69.6	0	0	0	116.1	V104 G139 M142 L157 V176 A177 W178 F193 Y198	V104-L137 HydrophobicContact CG1-CB 4.03Å; V104-L137 HydrophobicContact CG1-CD2 4.15Å; L137-G139 PolarHBondContact O-N 3.42Å; L137-M142 HydrophobicContact CD2-CB 4.18Å; L137-M142 HydrophobicContact CD2-CG 4.3Å; L137-L157 HydrophobicContact CD1-CD2 3.91Å; L137-L157 HydrophobicContact CG-CD2 4.15Å; L137-V176 PolarHBondContact N-O 2.75Å; L137-A177 HydrophobicContact CD1-CB 4.26Å; L137-W178 HydrophobicContact CB-CB 4.17Å; L137-F193 HydrophobicContact CD1-CE1 3.74Å; L137-F193 HydrophobicContact CD1-CZ 3.95Å; L137-Y198 HydrophobicContact CD1-CE2 4.47Å; L137-Y198 PolarHBondContact O-OH 3.41Å
138	G	97.5	Very high	97.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.			trans	54.9	22.7	-179.5	0	0	0	0	0	115.3	A136 G160 N161	A136-G138 PolarHBondContact O-N 2.84Å; G138-G160 CarbonylContact O-C 3.59Å; G138-G160 WeakPolarHBondContact O-CA 3.31Å; G138-N161 PolarHBondContact O-N 3.35Å; G138-N161 PolarHBondContact O-ND2 3.16Å
139	G	98.1	Very high	97.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.			trans	-76.7	159.1	169.9	0	0	0	0	0	111.1	M106 L137	M106-G139 VanDerWaalsContact CB-O 3.24Å; M106-G139 WeakPolarHBondContact CB-O 3.26Å; M106-G139 VanDerWaalsContact CG-O 3.24Å; M106-G139 WeakPolarHBondContact CG-O 3.4Å; M106-G139 PolarHBondContact N-O 3.15Å; M106-G139 VanDerWaalsContact N-O 3.07Å; L137-G139 PolarHBondContact O-N 3.42Å
140	W	98.4	Very high	97.9	Very high	7 Å²	7	4.5 Å²	4.5	3%	0.027	3%	0.027	C	C	.	.	S	Bend	trans	-60.9	-39.3	167.2	-163.5	-102.3	0	0	0	111.8	M106 A107 Y110 Q156 Y159 L163 Q437 H440	M106-W140 HydrophobicContact CB-CE3 4.09Å; A107-W140 HydrophobicContact CB-CD2 4.18Å; A107-W140 HydrophobicContact CB-CG 4.24Å; A107-W140 HydrophobicContact CB-CZ2 4.34Å; A107-W140 VanDerWaalsContact CB-O 3.27Å; A107-W140 WeakPolarHBondContact CB-O 3.33Å; A107-W140 PolarHBondContact N-O 2.95Å; Y110-W140 AromaticContact CD1-CH2 3.65Å; Y110-W140 HydrophobicContact CD1-CH2 3.65Å; Y110-W140 HydrophobicContact CD1-CZ3 4.42Å; Y110-W140 HydrophobicContact CE1-CH2 4.5Å; Y110-W140 AromaticContact CG-CH2 3.92Å; Y110-W140 HydrophobicContact CG-CH2 3.92Å; Y110-W140 HydrophobicContact CG-CZ3 4.26Å; W140-Q156 HydrophobicContact CB-CB 4.45Å; W140-Q156 PolarHBondContact N-O 2.9Å; W140-Y159 AromaticContact CD2-CD1 4Å; W140-Y159 HydrophobicContact CD2-CD1 4Å; W140-Y159 HydrophobicContact CD2-CE1 4.26Å; W140-Y159 AromaticContact CE3-CD1 3.41Å; W140-Y159 HydrophobicContact CE3-CD1 3.41Å; W140-Y159 VanDerWaalsContact CE3-CD1 3.41Å; W140-Y159 AromaticContact CE3-CE1 3.65Å; W140-Y159 HydrophobicContact CE3-CE1 3.65Å; W140-Y159 HydrophobicContact CH2-CD1 4.36Å; W140-Y159 AromaticContact CH2-CE1 3.73Å; W140-Y159 HydrophobicContact CH2-CE1 3.73Å; W140-Y159 HydrophobicContact CZ2-CE1 4.34Å; W140-Y159 AromaticContact CZ3-CD1 3.64Å; W140-Y159 HydrophobicContact CZ3-CD1 3.64Å; W140-Y159 AromaticContact CZ3-CE1 3.36Å; W140-Y159 HydrophobicContact CZ3-CE1 3.36Å; W140-L163 HydrophobicContact CZ3-CD2 4.18Å; W140-Q437 HydrophobicContact CH2-CG 4.14Å; W140-Q437 HydrophobicContact CZ2-CB 4.01Å; W140-Q437 HydrophobicContact CZ2-CG 3.66Å; W140-Q437 PolarHBondContact NE1-O 2.69Å; W140-H440 HydrophobicContact CB-CB 3.57Å; W140-H440 HydrophobicContact CD2-CB 4.48Å; W140-H440 HydrophobicContact CG-CB 3.47Å; W140-H440 VanDerWaalsContact CG-CB 3.47Å
141	S	98.4	Very high	98.1	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.014	C	C	.	.	S	Bend	trans	-134.7	156.6	169.7	63.9	0	0	0	0	112.1	E105 A143 Q156 H440 H444	E105-S141 WeakPolarHBondContact OE2-CA 3.35Å; S141-A143 PolarHBondContact O-N 3.21Å; S141-Q156 PolarHBondContact O-NE2 3.15Å; S141-Q156 VanDerWaalsContact O-NE2 3.13Å; S141-Q156 PolarHBondContact O-OE1 3.16Å; S141-Q156 VanDerWaalsContact O-OE1 3.12Å; S141-H440 WeakPolarHBondContact CB-O 3.34Å; S141-H440 PolarHBondContact OG-O 2.97Å; S141-H444 PolarHBondContact OG-N 3.07Å
142	M	98.5	Very high	98.2	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.013	C	C	.	.			trans	-69.1	95.3	159.8	-173.2	-176	-61.9	0	0	110.4	V104 E105 L137 W178 I180 P182 H444 H445	V104-M142 HydrophobicContact CG1-CE 4.25Å; E105-M142 WeakPolarHBondContact OE1-CB 3.25Å; E105-M142 PolarHBondContact OE1-N 2.84Å; E105-M142 PolarHBondContact OE2-N 3.32Å; L137-M142 HydrophobicContact CD2-CB 4.18Å; L137-M142 HydrophobicContact CD2-CG 4.3Å; M142-W178 WeakPolarHBondContact CE-O 3.38Å; M142-I180 HydrophobicContact CE-CD1 4.44Å; M142-I180 HydrophobicContact CE-CG1 3.54Å; M142-I180 HydrophobicContact SD-CG1 4.19Å; M142-P182 HydrophobicContact CG-CG 4.34Å; M142-P182 HydrophobicContact SD-CG 4.34Å; M142-H444 WeakPolarHBondContact O-CA 3.35Å; M142-H445 PolarHBondContact O-N 2.72Å; M142-H445 PolarHBondContact O-ND1 2.99Å
143	A	98.5	Very high	98.3	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.01	C	C	.	.	B	Isolated β-bridge	trans	-74	140.3	-174.4	0	0	0	0	0	112.5	S141 V148 Q179 Q443	S141-A143 PolarHBondContact O-N 3.21Å; A143-V148 HydrophobicContact CB-CG2 4.34Å; A143-Q179 PolarHBondContact O-NE2 2.81Å; A143-Q179 PolarHBondContact O-OE1 3.37Å; A143-Q443 VanDerWaalsContact CA-O 3.24Å; A143-Q443 WeakPolarHBondContact CA-O 3.4Å; A143-Q443 HydrophobicContact CB-CB 4.07Å
144	D	98.7	Very high	98.3	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.009	C	C	.	.			trans	-62.2	153.2	168.9	165.8	57	0	0	0	111.4	A146 T147 V148 Q443 H445 V448 T449	D144-A146 PolarHBondContact OD1-N 3.16Å; D144-A146 VanDerWaalsContact OD1-N 3.14Å; D144-A146 PolarHBondContact OD2-N 3.25Å; D144-T147 WeakPolarHBondContact OD2-CA 3.39Å; D144-T147 VanDerWaalsContact OD2-CB 3.31Å; D144-T147 WeakPolarHBondContact OD2-CB 3.46Å; D144-T147 PolarHBondContact OD2-N 2.54Å; D144-T147 PolarHBondContact OD2-OG1 2.71Å; D144-V148 HydrophobicContact CB-CG2 4.14Å; D144-V148 WeakPolarHBondContact O-CB 3.44Å; D144-V148 WeakPolarHBondContact O-CG2 3.25Å; D144-Q443 PolarHBondContact N-O 2.87Å; D144-Q443 VanDerWaalsContact N-O 3.14Å; D144-H445 HydrophobicContact CB-CB 3.84Å; D144-V448 HydrophobicContact CB-CG1 3.88Å; D144-T449 HydrophobicContact CB-CG2 3.69Å; D144-T449 WeakPolarHBondContact OD2-CG2 3.44Å
145	E	98.5	Very high	98.3	Very high	1 Å²	1	2.1 Å²	2.1	1%	0.005	1%	0.011	C	C	.	.	S	Bend	trans	-104.1	-16.5	-177.1	-60.1	-168.5	-135.1	0	0	113.1	Q179 H185 S186 H189 F375 S868	E145-Q179 WeakPolarHBondContact OE1-CG 3.45Å; E145-H185 IonicContact OE1-CE1 3.14Å; E145-H185 IonicContact OE1-CG 3.52Å; E145-H185 IonicContact OE1-ND1 3.95Å; E145-H185 PolarHBondContact OE1-ND1 3.14Å; E145-H185 WeakPolarHBondContact OE2-CA 3.32Å; E145-S186 WeakPolarHBondContact O-CB 3.36Å; E145-S186 PolarHBondContact OE2-N 3.13Å; E145-H189 HydrophobicContact CB-CB 4.31Å; E145-H189 HydrophobicContact CG-CB 4.16Å; E145-H189 IonicContact OE2-CG 2.66Å; E145-F375 HydrophobicContact CB-CZ 4.34Å; E145-S868 PolarHBondContact O-OG 2.88Å; E145-S868 VanDerWaalsContact O-OG 3.09Å
146	A	98.5	Very high	98.3	Very high	1 Å²	1	2 Å²	2	1%	0.008	1%	0.01	C	C	.	.	S	Bend	trans	-93.2	-29.5	-175.1	0	0	0	0	0	114.7	D144 F375 Y388 Y389 P901 V903	D144-A146 PolarHBondContact OD1-N 3.16Å; D144-A146 VanDerWaalsContact OD1-N 3.14Å; D144-A146 PolarHBondContact OD2-N 3.25Å; A146-F375 HydrophobicContact CB-CE1 3.81Å; A146-F375 HydrophobicContact CB-CE2 4.32Å; A146-F375 HydrophobicContact CB-CZ 3.56Å; A146-Y388 HydrophobicContact CB-CE2 3.64Å; A146-Y388 WeakPolarHBondContact CB-OH 3.28Å; A146-Y389 HydrophobicContact CB-CD1 4.02Å; A146-Y389 HydrophobicContact CB-CE1 3.84Å; A146-P901 HydrophobicContact CB-CB 3.91Å; A146-P901 HydrophobicContact CB-CG 4.28Å; A146-P901 WeakPolarHBondContact O-CB 3.4Å; A146-V903 WeakPolarHBondContact O-CG2 3.26Å
147	T	98.5	Very high	98.3	Very high	1 Å²	1	1.9 Å²	1.9	1%	0.006	1%	0.01	C	C	.	.	S	Bend	trans	-126.5	-11.8	-169.7	67.4	0	0	0	0	113.2	D144 Y388 R400 V448 S931	D144-T147 WeakPolarHBondContact OD2-CA 3.39Å; D144-T147 VanDerWaalsContact OD2-CB 3.31Å; D144-T147 WeakPolarHBondContact OD2-CB 3.46Å; D144-T147 PolarHBondContact OD2-N 2.54Å; D144-T147 PolarHBondContact OD2-OG1 2.71Å; T147-Y388 HydrophobicContact CG2-CD2 4.23Å; T147-Y388 HydrophobicContact CG2-CE2 4.17Å; T147-R400 PolarHBondContact O-NH2 3.45Å; T147-V448 WeakPolarHBondContact OG1-CG1 3.44Å; T147-S931 PolarHBondContact O-OG 3.45Å
148	V	98.4	Very high	98.2	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.011	C	C	.	.	S	Bend	trans	-74	139.1	169.6	177.6	0	0	0	0	110.4	A143 D144 D152 A153 Q443 V448	A143-V148 HydrophobicContact CB-CG2 4.34Å; D144-V148 HydrophobicContact CB-CG2 4.14Å; D144-V148 WeakPolarHBondContact O-CB 3.44Å; D144-V148 WeakPolarHBondContact O-CG2 3.25Å; V148-D152 HydrophobicContact CG1-CB 4.19Å; V148-A153 HydrophobicContact CG1-CB 3.79Å; V148-Q443 HydrophobicContact CG1-CG 4.48Å; V148-Q443 HydrophobicContact CG2-CB 4.24Å; V148-V448 HydrophobicContact CG2-CG1 3.65Å
149	Y	98.2	Very high	98.2	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.011	C	C	.	.			trans	-87.5	142.4	170.9	-165.9	-104.4	0	0	0	109.8	V151 D152 A153 R400 V903 N904 Q997 R1000	Y149-V151 HydrophobicContact CD1-CB 3.92Å; Y149-V151 HydrophobicContact CD1-CG2 3.78Å; Y149-V151 HydrophobicContact CE1-CB 4.35Å; Y149-V151 HydrophobicContact CE1-CG2 3.7Å; Y149-V151 PolarHBondContact O-N 3.09Å; Y149-D152 WeakPolarHBondContact CB-OD2 3.48Å; Y149-D152 WeakPolarHBondContact O-CB 3.25Å; Y149-D152 PolarHBondContact O-N 2.87Å; Y149-A153 PolarHBondContact O-N 2.96Å; Y149-A153 VanDerWaalsContact O-N 3.12Å; Y149-R400 VanDerWaalsContact CB-CZ 3.43Å; Y149-V903 HydrophobicContact CD2-CG1 3.84Å; Y149-N904 HydrophobicContact CD2-CB 4.41Å; Y149-N904 HydrophobicContact CE2-CB 3.89Å; Y149-Q997 PolarHBondContact OH-NE2 3.27Å; Y149-R1000 HydrophobicContact CD1-CG 4.12Å; Y149-R1000 HydrophobicContact CE1-CB 4.47Å; Y149-R1000 HydrophobicContact CE1-CG 3.61Å; Y149-R1000 HydrophobicContact CE2-CB 4.48Å; Y149-R1000 HydrophobicContact CE2-CG 4.19Å
150	Y	97.6	Very high	98.2	Very high	2 Å²	2	2.1 Å²	2.1	1%	0.008	1%	0.011	C	C	.	.	H	α-helix	trans	-53.8	-34.1	-171.9	73.8	-78.4	0	0	0	114.3	A153 I154 S868 R870 Q997 N1034 L1036 E1060 I1137	Y150-A153 PolarHBondContact O-N 3.35Å; Y150-I154 HydrophobicContact CD2-CD1 4.04Å; Y150-I154 WeakPolarHBondContact O-CD1 3.43Å; Y150-I154 WeakPolarHBondContact O-CG1 3.48Å; Y150-I154 PolarHBondContact O-N 3.26Å; Y150-S868 WeakPolarHBondContact CB-O 3.45Å; Y150-S868 PolarHBondContact N-O 3.46Å; Y150-R870 HydrophobicContact CD1-CB 3.91Å; Y150-R870 HydrophobicContact CD1-CG 4.48Å; Y150-R870 HydrophobicContact CD2-CB 4.42Å; Y150-R870 HydrophobicContact CD2-CG 4.29Å; Y150-R870 HydrophobicContact CE1-CB 4.39Å; Y150-R870 HydrophobicContact CE2-CG 4.44Å; Y150-R870 HydrophobicContact CG-CB 3.94Å; Y150-R870 HydrophobicContact CG-CG 4.32Å; Y150-Q997 PolarHBondContact OH-NE2 3.28Å; Y150-N1034 PolarHBondContact OH-ND2 2.69Å; Y150-L1036 HydrophobicContact CD2-CD1 4.4Å; Y150-L1036 HydrophobicContact CE2-CD1 3.36Å; Y150-L1036 HydrophobicContact CE2-CD2 4.4Å; Y150-L1036 HydrophobicContact CE2-CG 4.5Å; Y150-L1036 VanDerWaalsContact OH-CD1 3.26Å; Y150-L1036 WeakPolarHBondContact OH-CD1 3.29Å; Y150-E1060 PolarHBondContact OH-OE2 2.9Å; Y150-E1060 VanDerWaalsContact OH-OE2 3.06Å; Y150-I1137 HydrophobicContact CD2-CD1 4.04Å; Y150-I1137 HydrophobicContact CE2-CD1 4Å
151	V	97.4	Very high	98.2	Very high	1 Å²	1	1.9 Å²	1.9	1%	0.006	1%	0.01	C	C	.	.	H	α-helix	trans	-59.5	-48.5	173.3	178.8	0	0	0	0	111.3	Y149 A153 I154 D155 L1036	Y149-V151 HydrophobicContact CD1-CB 3.92Å; Y149-V151 HydrophobicContact CD1-CG2 3.78Å; Y149-V151 HydrophobicContact CE1-CB 4.35Å; Y149-V151 HydrophobicContact CE1-CG2 3.7Å; Y149-V151 PolarHBondContact O-N 3.09Å; V151-A153 VanDerWaalsContact C-N 3.29Å; V151-A153 PolarHBondContact O-N 3.48Å; V151-I154 WeakPolarHBondContact O-CB 3.4Å; V151-I154 PolarHBondContact O-N 3.39Å; V151-I154 VanDerWaalsContact O-N 3.1Å; V151-D155 WeakPolarHBondContact CG1-OD2 3.16Å; V151-D155 VanDerWaalsContact O-CG 3.32Å; V151-D155 PolarHBondContact O-N 2.94Å; V151-L1036 HydrophobicContact CG2-CD1 3.47Å; V151-L1036 VanDerWaalsContact CG2-CD1 3.47Å; V151-L1036 HydrophobicContact CG2-CG 4.1Å
152	D	98.5	Very high	98	Very high	6 Å²	6	2.2 Å²	2.2	3%	0.032	1%	0.012	C	C	.	.	H	α-helix	trans	-67.4	-33.5	-177.3	-55.8	-51.7	0	0	0	111.1	V148 Y149 Q156 R400 S403 Q443 R1000	V148-D152 HydrophobicContact CG1-CB 4.19Å; Y149-D152 WeakPolarHBondContact CB-OD2 3.48Å; Y149-D152 WeakPolarHBondContact O-CB 3.25Å; Y149-D152 PolarHBondContact O-N 2.87Å; D152-Q156 WeakPolarHBondContact O-CG 3.19Å; D152-Q156 PolarHBondContact O-N 3.21Å; D152-R400 IonicContact OD2-NH1 3.16Å; D152-R400 PolarHBondContact OD2-NH1 3.41Å; D152-S403 WeakPolarHBondContact OD1-CB 2.83Å; D152-S403 PolarHBondContact OD1-OG 2.84Å; D152-Q443 HydrophobicContact CB-CG 4.12Å; D152-R1000 IonicContact OD1-NH2 3.41Å; D152-R1000 PolarHBondContact OD1-NH2 2.73Å; D152-R1000 VanDerWaalsContact OD1-NH2 3.11Å; D152-R1000 IonicContact OD2-CZ 2.66Å; D152-R1000 IonicContact OD2-NH2 3.89Å; D152-R1000 PolarHBondContact OD2-NH2 3.13Å
153	A	98.4	Very high	97.9	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-65.2	-40.8	171	0	0	0	0	0	112.3	V148 Y149 Y150 V151 L157 L192	V148-A153 HydrophobicContact CG1-CB 3.79Å; Y149-A153 PolarHBondContact O-N 2.96Å; Y149-A153 VanDerWaalsContact O-N 3.12Å; Y150-A153 PolarHBondContact O-N 3.35Å; V151-A153 VanDerWaalsContact C-N 3.29Å; V151-A153 PolarHBondContact O-N 3.48Å; A153-L157 WeakPolarHBondContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CD1 3.34Å; A153-L157 VanDerWaalsContact O-CG 3.27Å; A153-L157 WeakPolarHBondContact O-CG 3.26Å; A153-L157 PolarHBondContact O-N 3.44Å; A153-L192 HydrophobicContact CB-CD1 4.17Å
154	I	98.6	Very high	97.8	Very high	1 Å²	1	2.3 Å²	2.3	1%	0.005	1%	0.012	C	C	.	.	H	α-helix	trans	-66	-46.8	176.8	-69.3	162.5	0	0	0	110.7	Y150 V151 L157 T158 L192 L1036 L1092 I1137	Y150-I154 HydrophobicContact CD2-CD1 4.04Å; Y150-I154 WeakPolarHBondContact O-CD1 3.43Å; Y150-I154 WeakPolarHBondContact O-CG1 3.48Å; Y150-I154 PolarHBondContact O-N 3.26Å; V151-I154 WeakPolarHBondContact O-CB 3.4Å; V151-I154 PolarHBondContact O-N 3.39Å; V151-I154 VanDerWaalsContact O-N 3.1Å; I154-L157 PolarHBondContact O-N 3.38Å; I154-T158 VanDerWaalsContact O-CB 3.31Å; I154-T158 WeakPolarHBondContact O-CB 3.46Å; I154-T158 PolarHBondContact O-N 3.14Å; I154-T158 PolarHBondContact O-OG1 3.3Å; I154-L192 HydrophobicContact CD1-CD2 4.11Å; I154-L192 HydrophobicContact CG1-CD1 4.11Å; I154-L192 HydrophobicContact CG1-CD2 4.28Å; I154-L1036 HydrophobicContact CD1-CD2 3.81Å; I154-L1092 HydrophobicContact CD1-CD1 3.98Å; I154-L1092 HydrophobicContact CD1-CD2 4.24Å; I154-L1092 HydrophobicContact CD1-CG 4.4Å; I154-L1092 HydrophobicContact CG1-CD1 4.18Å; I154-L1092 HydrophobicContact CG1-CD2 3.84Å; I154-L1092 HydrophobicContact CG1-CG 4.07Å; I154-L1092 HydrophobicContact CG2-CD1 4.18Å; I154-L1092 HydrophobicContact CG2-CG 4.12Å; I154-I1137 HydrophobicContact CD1-CD1 3.87Å
155	D	98.1	Very high	97.6	Very high	20 Å²	20	5.6 Å²	5.6	11%	0.107	3%	0.027	C	C	.	.	H	α-helix	trans	-66.3	-43.6	-173.4	-68.8	-21	0	0	0	111.1	V151 L157 T158 Y159 R1058	V151-D155 WeakPolarHBondContact CG1-OD2 3.16Å; V151-D155 VanDerWaalsContact O-CG 3.32Å; V151-D155 PolarHBondContact O-N 2.94Å; D155-L157 PolarHBondContact O-N 2.9Å; D155-T158 WeakPolarHBondContact O-CB 3.47Å; D155-T158 PolarHBondContact O-N 2.72Å; D155-Y159 PolarHBondContact O-N 3.27Å; D155-R1058 IonicContact OD1-NH1 3.44Å
156	Q	98.1	Very high	97.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.9	-37.7	178.3	80.2	81.1	13.5	0	0	112.6	W140 S141 D152 G160 H440 Q443	W140-Q156 HydrophobicContact CB-CB 4.45Å; W140-Q156 PolarHBondContact N-O 2.9Å; S141-Q156 PolarHBondContact O-NE2 3.15Å; S141-Q156 VanDerWaalsContact O-NE2 3.13Å; S141-Q156 PolarHBondContact O-OE1 3.16Å; S141-Q156 VanDerWaalsContact O-OE1 3.12Å; D152-Q156 WeakPolarHBondContact O-CG 3.19Å; D152-Q156 PolarHBondContact O-N 3.21Å; Q156-G160 PolarHBondContact O-N 3.41Å; Q156-H440 WeakPolarHBondContact CA-ND1 3.22Å; Q156-H440 HydrophobicContact CB-CB 3.77Å; Q156-Q443 HydrophobicContact CG-CB 4.49Å; Q156-Q443 HydrophobicContact CG-CG 4.44Å
157	L	98.3	Very high	97.1	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-66.2	-40.7	172.8	-74.9	171.2	0	0	0	111.5	L137 A153 I154 D155 Y159 N161 F193 V196 T1093	L137-L157 HydrophobicContact CD1-CD2 3.91Å; L137-L157 HydrophobicContact CG-CD2 4.15Å; A153-L157 WeakPolarHBondContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CD1 3.34Å; A153-L157 VanDerWaalsContact O-CG 3.27Å; A153-L157 WeakPolarHBondContact O-CG 3.26Å; A153-L157 PolarHBondContact O-N 3.44Å; I154-L157 PolarHBondContact O-N 3.38Å; D155-L157 PolarHBondContact O-N 2.9Å; L157-Y159 VanDerWaalsContact C-N 3.33Å; L157-Y159 PolarHBondContact O-N 2.91Å; L157-N161 WeakPolarHBondContact O-CB 3.48Å; L157-N161 PolarHBondContact O-N 2.93Å; L157-N161 PolarHBondContact O-ND2 3.14Å; L157-F193 HydrophobicContact CD1-CD1 4.31Å; L157-F193 HydrophobicContact CD1-CE1 4.02Å; L157-V196 HydrophobicContact CD1-CG2 4.38Å; L157-T1093 HydrophobicContact CB-CG2 3.82Å
158	T	98	Very high	97	Very high	4 Å²	4	9.7 Å²	9.7	3%	0.025	5%	0.046	C	C	.	.	H	α-helix	trans	-61	-45.7	178.6	-61.8	0	0	0	0	110.1	I154 D155 N162 W1041 L1056 R1058	I154-T158 VanDerWaalsContact O-CB 3.31Å; I154-T158 WeakPolarHBondContact O-CB 3.46Å; I154-T158 PolarHBondContact O-N 3.14Å; I154-T158 PolarHBondContact O-OG1 3.3Å; D155-T158 WeakPolarHBondContact O-CB 3.47Å; D155-T158 PolarHBondContact O-N 2.72Å; T158-N162 WeakPolarHBondContact O-CB 3.24Å; T158-N162 PolarHBondContact O-N 3.5Å; T158-W1041 HydrophobicContact CG2-CH2 4.48Å; T158-W1041 HydrophobicContact CG2-CZ3 4.25Å; T158-L1056 HydrophobicContact CG2-CD2 4.22Å; T158-R1058 PolarHBondContact OG1-NH2 3.29Å
159	Y	97.3	Very high	96.7	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-63.7	-47	-178.5	-164.5	-87.1	0	0	0	111.9	W140 D155 L157 L163 R436 Q437 H440 L1043 V1045	W140-Y159 AromaticContact CD2-CD1 4Å; W140-Y159 HydrophobicContact CD2-CD1 4Å; W140-Y159 HydrophobicContact CD2-CE1 4.26Å; W140-Y159 AromaticContact CE3-CD1 3.41Å; W140-Y159 HydrophobicContact CE3-CD1 3.41Å; W140-Y159 VanDerWaalsContact CE3-CD1 3.41Å; W140-Y159 AromaticContact CE3-CE1 3.65Å; W140-Y159 HydrophobicContact CE3-CE1 3.65Å; W140-Y159 HydrophobicContact CH2-CD1 4.36Å; W140-Y159 AromaticContact CH2-CE1 3.73Å; W140-Y159 HydrophobicContact CH2-CE1 3.73Å; W140-Y159 HydrophobicContact CZ2-CE1 4.34Å; W140-Y159 AromaticContact CZ3-CD1 3.64Å; W140-Y159 HydrophobicContact CZ3-CD1 3.64Å; W140-Y159 AromaticContact CZ3-CE1 3.36Å; W140-Y159 HydrophobicContact CZ3-CE1 3.36Å; D155-Y159 PolarHBondContact O-N 3.27Å; L157-Y159 VanDerWaalsContact C-N 3.33Å; L157-Y159 PolarHBondContact O-N 2.91Å; Y159-L163 PolarHBondContact O-N 2.98Å; Y159-R436 HydrophobicContact CD2-CB 4.35Å; Y159-R436 HydrophobicContact CE2-CB 4.22Å; Y159-Q437 HydrophobicContact CE1-CG 4.1Å; Y159-Q437 PolarHBondContact OH-NE2 3.19Å; Y159-H440 VanDerWaalsContact CB-CD2 3.48Å; Y159-H440 WeakPolarHBondContact CB-CD2 3.48Å; Y159-H440 WeakPolarHBondContact CB-NE2 3.32Å; Y159-H440 AromaticContact CD1-CD2 3.96Å; Y159-H440 AromaticContact CD2-NE2 3.75Å; Y159-H440 AromaticContact CG-CD2 3.55Å; Y159-H440 AromaticContact CG-NE2 3.65Å; Y159-L1043 HydrophobicContact CD2-CD1 4Å; Y159-V1045 HydrophobicContact CD2-CG2 4.36Å; Y159-V1045 HydrophobicContact CE1-CG1 3.86Å; Y159-V1045 HydrophobicContact CE1-CG2 4.18Å; Y159-V1045 HydrophobicContact CE2-CG2 3.85Å
160	G	97.7	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.7	-42.1	177.3	0	0	0	0	0	113.8	G138 Q156 L163 L164	G138-G160 CarbonylContact O-C 3.59Å; G138-G160 WeakPolarHBondContact O-CA 3.31Å; Q156-G160 PolarHBondContact O-N 3.41Å; G160-L163 WeakPolarHBondContact O-CB 3.13Å; G160-L163 PolarHBondContact O-N 2.86Å; G160-L164 WeakPolarHBondContact O-CG 3.39Å; G160-L164 PolarHBondContact O-N 2.97Å
161	N	97.1	Very high	96.3	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-69.4	-37.3	177.1	-80.7	-84.2	0	0	0	112.3	G138 L157 L164 K165 P174 Y198 T1093 D1095	G138-N161 PolarHBondContact O-N 3.35Å; G138-N161 PolarHBondContact O-ND2 3.16Å; L157-N161 WeakPolarHBondContact O-CB 3.48Å; L157-N161 PolarHBondContact O-N 2.93Å; L157-N161 PolarHBondContact O-ND2 3.14Å; N161-L164 PolarHBondContact O-N 2.83Å; N161-K165 WeakPolarHBondContact O-CB 3.32Å; N161-K165 PolarHBondContact O-N 2.94Å; N161-P174 VanDerWaalsContact OD1-CD 3.32Å; N161-P174 WeakPolarHBondContact OD1-CD 3.23Å; N161-Y198 PolarHBondContact ND2-OH 2.98Å; N161-T1093 HydrophobicContact CB-CG2 4.36Å; N161-D1095 HydrophobicContact CB-CB 4.23Å
162	N	95	Very high	96.2	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-41.1	173.4	175.4	65.9	0	0	0	111.5	T158 K165 Q166 W1041 L1043 V1045	T158-N162 WeakPolarHBondContact O-CB 3.24Å; T158-N162 PolarHBondContact O-N 3.5Å; N162-K165 PolarHBondContact O-N 2.86Å; N162-Q166 PolarHBondContact ND2-NE2 2.67Å; N162-Q166 WeakPolarHBondContact O-CG 3.18Å; N162-Q166 PolarHBondContact O-N 2.71Å; N162-Q166 PolarHBondContact OD1-NE2 3.34Å; N162-W1041 HydrophobicContact CB-CH2 4.11Å; N162-L1043 PolarHBondContact ND2-O 3.11Å; N162-V1045 WeakPolarHBondContact ND2-CG2 3.24Å
163	L	95.8	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56	-52.5	171.4	170.2	66.6	0	0	0	111.2	M106 Y110 W140 Y159 G160 K165 Q166 L167 V1045 V1046	M106-L163 HydrophobicContact CB-CD2 4.19Å; Y110-L163 HydrophobicContact CD2-CD1 3.61Å; Y110-L163 HydrophobicContact CD2-CD2 4.01Å; Y110-L163 HydrophobicContact CD2-CG 4.49Å; Y110-L163 HydrophobicContact CE2-CD1 4.09Å; Y110-L163 HydrophobicContact CG-CD2 4.24Å; W140-L163 HydrophobicContact CZ3-CD2 4.18Å; Y159-L163 PolarHBondContact O-N 2.98Å; G160-L163 WeakPolarHBondContact O-CB 3.13Å; G160-L163 PolarHBondContact O-N 2.86Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 3.35Å; L163-Q166 PolarHBondContact O-N 3.2Å; L163-Q166 VanDerWaalsContact O-N 3.16Å; L163-L167 HydrophobicContact CD1-CD1 3.69Å; L163-L167 HydrophobicContact CD1-CG 3.92Å; L163-L167 HydrophobicContact CG-CD1 4.1Å; L163-L167 HydrophobicContact CG-CG 4.49Å; L163-L167 WeakPolarHBondContact O-CG 3.44Å; L163-L167 PolarHBondContact O-N 3.31Å; L163-V1045 HydrophobicContact CB-CG1 4.13Å; L163-V1045 HydrophobicContact CD1-CG1 3.74Å; L163-V1045 HydrophobicContact CG-CG1 4.44Å; L163-V1046 HydrophobicContact CD1-CG2 3.35Å
164	L	97	Very high	96	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-41.2	-179.1	-73	172.9	0	0	0	111.9	M106 F135 G160 N161 Q166 L167 F168 P174	M106-L164 HydrophobicContact CG-CD1 4.38Å; M106-L164 HydrophobicContact CG-CG 4.48Å; M106-L164 HydrophobicContact SD-CD1 3.85Å; M106-L164 HydrophobicContact SD-CD2 3.54Å; M106-L164 VanDerWaalsContact SD-CD2 3.54Å; M106-L164 HydrophobicContact SD-CG 3.68Å; F135-L164 HydrophobicContact CB-CD1 4.09Å; F135-L164 HydrophobicContact CD1-CD2 4.09Å; F135-L164 HydrophobicContact CD2-CD1 4.41Å; F135-L164 HydrophobicContact CD2-CD2 3.49Å; F135-L164 VanDerWaalsContact CD2-CD2 3.49Å; F135-L164 HydrophobicContact CE1-CD2 4.12Å; F135-L164 HydrophobicContact CE2-CD2 3.53Å; F135-L164 HydrophobicContact CG-CD1 4.21Å; F135-L164 HydrophobicContact CG-CD2 3.77Å; F135-L164 HydrophobicContact CZ-CD2 3.86Å; G160-L164 WeakPolarHBondContact O-CG 3.39Å; G160-L164 PolarHBondContact O-N 2.97Å; N161-L164 PolarHBondContact O-N 2.83Å; L164-Q166 PolarHBondContact O-N 3.04Å; L164-L167 PolarHBondContact O-N 2.94Å; L164-F168 HydrophobicContact CD2-CD2 3.88Å; L164-F168 HydrophobicContact CD2-CE2 4.03Å; L164-F168 PolarHBondContact O-N 2.77Å; L164-P174 HydrophobicContact CD1-CG 3.85Å
165	K	94.2	Very high	95.9	Very high	70 Å²	70	20.3 Å²	20.3	30%	0.304	11%	0.108	S	C	.	.	H	α-helix	trans	-62	-42.4	175.8	-175.2	63.3	171.1	176.6	0	111.8	N161 N162 L163 S169 D170	N161-K165 WeakPolarHBondContact O-CB 3.32Å; N161-K165 PolarHBondContact O-N 2.94Å; N162-K165 PolarHBondContact O-N 2.86Å; L163-K165 VanDerWaalsContact C-N 3.3Å; L163-K165 PolarHBondContact O-N 3.35Å; K165-S169 VanDerWaalsContact O-CA 3.26Å; K165-S169 WeakPolarHBondContact O-CA 3.31Å; K165-S169 PolarHBondContact O-N 2.79Å; K165-D170 IonicContact NZ-OD1 3.94Å; K165-D170 PolarHBondContact NZ-OD1 2.92Å; K165-D170 IonicContact NZ-OD2 2.97Å; K165-D170 PolarHBondContact NZ-OD2 3.38Å
166	Q	92.8	Very high	96	Very high	62 Å²	62	19.5 Å²	19.5	29%	0.29	10%	0.104	S	C	.	.	H	α-helix	trans	-65.5	-40.8	177	-72.4	179.3	23.9	0	0	112.3	N162 L163 L164 L1043 V1046	N162-Q166 PolarHBondContact ND2-NE2 2.67Å; N162-Q166 WeakPolarHBondContact O-CG 3.18Å; N162-Q166 PolarHBondContact O-N 2.71Å; N162-Q166 PolarHBondContact OD1-NE2 3.34Å; L163-Q166 PolarHBondContact O-N 3.2Å; L163-Q166 VanDerWaalsContact O-N 3.16Å; L164-Q166 PolarHBondContact O-N 3.04Å; Q166-L1043 PolarHBondContact NE2-O 2.93Å; Q166-V1046 HydrophobicContact CB-CG2 4.49Å
167	L	94.6	Very high	96	Very high	12 Å²	12	19.5 Å²	19.5	6%	0.063	10%	0.104	C	C	.	.	H	α-helix	trans	-79.2	-40.4	-176.7	-67.5	-174	0	0	0	113.9	F109 W113 K125 L163 L164 V1046	F109-L167 HydrophobicContact CE1-CD1 3.98Å; W113-L167 HydrophobicContact CD2-CD1 3.98Å; W113-L167 HydrophobicContact CD2-CD2 4.44Å; W113-L167 HydrophobicContact CG-CD1 4.07Å; W113-L167 HydrophobicContact CZ2-CD1 4.47Å; W113-L167 HydrophobicContact CZ2-CD2 3.76Å; W113-L167 VanDerWaalsContact NE1-CD2 3.29Å; K125-L167 WeakPolarHBondContact CE-O 3.26Å; L163-L167 HydrophobicContact CD1-CD1 3.69Å; L163-L167 HydrophobicContact CD1-CG 3.92Å; L163-L167 HydrophobicContact CG-CD1 4.1Å; L163-L167 HydrophobicContact CG-CG 4.49Å; L163-L167 WeakPolarHBondContact O-CG 3.44Å; L163-L167 PolarHBondContact O-N 3.31Å; L164-L167 PolarHBondContact O-N 2.94Å; L167-V1046 HydrophobicContact CD2-CB 4.26Å; L167-V1046 HydrophobicContact CD2-CG1 3.79Å; L167-V1046 HydrophobicContact CD2-CG2 3.65Å; L167-V1046 HydrophobicContact CG-CG2 4.06Å
168	F	95.5	Very high	96	Very high	15 Å²	15	19.5 Å²	19.5	7%	0.066	10%	0.104	C	C	.	.	H	α-helix	trans	-129.8	2.8	-164.4	-55.3	-63.6	0	0	0	114.5	F109 W113 V124 K125 V128 F135 L164 C171	F109-F168 AromaticContact CE1-CE2 3.6Å; F109-F168 HydrophobicContact CE1-CE2 3.6Å; F109-F168 AromaticContact CE1-CZ 3.73Å; F109-F168 HydrophobicContact CE1-CZ 3.73Å; F109-F168 AromaticContact CZ-CE2 3.87Å; F109-F168 HydrophobicContact CZ-CE2 3.87Å; F109-F168 AromaticContact CZ-CZ 3.64Å; F109-F168 HydrophobicContact CZ-CZ 3.64Å; W113-F168 HydrophobicContact CE3-CZ 4.28Å; W113-F168 HydrophobicContact CH2-CE1 4.11Å; W113-F168 HydrophobicContact CH2-CZ 4.21Å; W113-F168 HydrophobicContact CZ3-CE1 4.03Å; W113-F168 AromaticContact CZ3-CZ 3.83Å; W113-F168 HydrophobicContact CZ3-CZ 3.83Å; V124-F168 HydrophobicContact CG1-CE1 3.95Å; V124-F168 HydrophobicContact CG1-CZ 3.94Å; K125-F168 HydrophobicContact CG-CD1 3.92Å; K125-F168 HydrophobicContact CG-CE1 3.84Å; V128-F168 HydrophobicContact CB-CD1 4.09Å; V128-F168 HydrophobicContact CB-CG 4.46Å; V128-F168 HydrophobicContact CG1-CB 4.03Å; V128-F168 HydrophobicContact CG1-CD1 4.15Å; V128-F168 HydrophobicContact CG1-CG 4.04Å; V128-F168 HydrophobicContact CG2-CD1 4Å; V128-F168 HydrophobicContact CG2-CE1 4.01Å; V128-F168 HydrophobicContact CG2-CG 4.37Å; V128-F168 HydrophobicContact CG2-CZ 4.35Å; F135-F168 AromaticContact CE2-CD2 3.72Å; F135-F168 HydrophobicContact CE2-CD2 3.72Å; F135-F168 AromaticContact CE2-CE2 3.67Å; F135-F168 HydrophobicContact CE2-CE2 3.67Å; F135-F168 HydrophobicContact CE2-CZ 4.43Å; F135-F168 HydrophobicContact CZ-CD2 4.25Å; F135-F168 AromaticContact CZ-CE2 3.71Å; F135-F168 HydrophobicContact CZ-CE2 3.71Å; F135-F168 HydrophobicContact CZ-CZ 4.29Å; L164-F168 HydrophobicContact CD2-CD2 3.88Å; L164-F168 HydrophobicContact CD2-CE2 4.03Å; L164-F168 PolarHBondContact O-N 2.77Å; F168-C171 PolarHBondContact O-N 3.05Å
169	S	92.6	Very high	96	Very high	72 Å²	72	19.3 Å²	19.3	50%	0.503	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	53.2	-143.1	-175.3	-57.1	0	0	0	0	111.1	K165 C171 G172	K165-S169 VanDerWaalsContact O-CA 3.26Å; K165-S169 WeakPolarHBondContact O-CA 3.31Å; K165-S169 PolarHBondContact O-N 2.79Å; S169-C171 PolarHBondContact O-N 2.89Å; S169-G172 PolarHBondContact O-N 3.45Å
170	D	92.2	Very high	96	Very high	70 Å²	70	19.3 Å²	19.3	37%	0.374	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-68.8	-18	-176.6	-64.5	-55.6	0	0	0	114.6	K165 R173	K165-D170 IonicContact NZ-OD1 3.94Å; K165-D170 PolarHBondContact NZ-OD1 2.92Å; K165-D170 IonicContact NZ-OD2 2.97Å; K165-D170 PolarHBondContact NZ-OD2 3.38Å; D170-R173 WeakPolarHBondContact O-CB 3.32Å; D170-R173 IonicContact OD1-NH1 3.17Å; D170-R173 PolarHBondContact OD1-NH1 2.93Å; D170-R173 VanDerWaalsContact OD1-NH1 3.14Å
171	C	94.5	Very high	96	Very high	36 Å²	36	19.9 Å²	19.9	24%	0.243	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-78	-22.8	-179.4	-64.7	0	0	0	0	113.4	C35 V128 F168 S169 R173	C35-C171 HydrophobicContact CB-CB 3.52Å; C35-C171 WeakPolarHBondContact CB-SG 3.44Å; C35-C171 WeakPolarHBondContact SG-CA 3.42Å; C35-C171 WeakPolarHBondContact SG-CB 3.37Å; C35-C171 CovalentContact SG-SG 2.05Å; C35-C171 PolarHBondContact SG-SG 3.36Å; V128-C171 HydrophobicContact CG1-CB 4.23Å; V128-C171 WeakPolarHBondContact CG1-O 3.45Å; F168-C171 PolarHBondContact O-N 3.05Å; S169-C171 PolarHBondContact O-N 2.89Å; C171-R173 VanDerWaalsContact C-N 3.31Å
172	G	95.6	Very high	96.1	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-84.3	-3.1	174.9	0	0	0	0	0	114.3	F135 S169 P174	F135-G172 WeakPolarHBondContact CD2-O 3.36Å; S169-G172 PolarHBondContact O-N 3.45Å; G172-P174 WeakPolarHBondContact O-CD 3.46Å
173	R	95.3	Very high	96.2	Very high	38 Å²	38	19.5 Å²	19.5	14%	0.143	10%	0.104	C	C	.	.			trans	-67.7	124.8	-175.6	-176.5	174.6	62.3	-130.4	0.9	111	D170 C171	D170-R173 WeakPolarHBondContact O-CB 3.32Å; D170-R173 IonicContact OD1-NH1 3.17Å; D170-R173 PolarHBondContact OD1-NH1 2.93Å; D170-R173 VanDerWaalsContact OD1-NH1 3.14Å; C171-R173 VanDerWaalsContact C-N 3.31Å
174	P	97.8	Very high	96.2	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.019	10%	0.104	C	C	.	.			trans	-64.1	136.8	169.2	-10.9	23.9	0	0	0	110.6	F135 N161 L164 G172 Y198	F135-P174 HydrophobicContact CB-CG 4.37Å; F135-P174 WeakPolarHBondContact O-CA 3.28Å; N161-P174 VanDerWaalsContact OD1-CD 3.32Å; N161-P174 WeakPolarHBondContact OD1-CD 3.23Å; L164-P174 HydrophobicContact CD1-CG 3.85Å; G172-P174 WeakPolarHBondContact O-CD 3.46Å; P174-Y198 HydrophobicContact CB-CE1 3.88Å; P174-Y198 WeakPolarHBondContact O-CE1 3.17Å
175	L	97.2	Very high	96.3	Very high	13 Å²	13	19.4 Å²	19.4	7%	0.068	10%	0.103	C	C	.	.			trans	-100.6	-13.6	177.6	-59.5	176.8	0	0	0	112.5	Y37 Y198 D199 A351	Y37-L175 HydrophobicContact CD1-CD1 4.01Å; Y37-L175 HydrophobicContact CD2-CD1 3.96Å; Y37-L175 HydrophobicContact CE1-CD1 3.95Å; Y37-L175 HydrophobicContact CE2-CB 4.46Å; Y37-L175 HydrophobicContact CE2-CD1 3.9Å; Y37-L175 HydrophobicContact CG-CD1 4.01Å; L175-Y198 WeakPolarHBondContact O-CA 3.42Å; L175-D199 PolarHBondContact O-N 2.92Å; L175-A351 HydrophobicContact CB-CB 4.03Å; L175-A351 HydrophobicContact CD1-CB 4.06Å
176	V	98.6	Very high	96.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.5	-174.5	-55	0	0	0	0	110.2	A136 L137 A200 Y202 P350 A351 T354	A136-V176 HydrophobicContact CB-CG2 4.22Å; L137-V176 PolarHBondContact N-O 2.75Å; V176-A200 CarbonylContact C-O 3.6Å; V176-A200 WeakPolarHBondContact CA-O 3.08Å; V176-A200 HydrophobicContact CB-CB 4.21Å; V176-A200 HydrophobicContact CG1-CB 3.84Å; V176-Y202 HydrophobicContact CB-CE2 4.34Å; V176-Y202 HydrophobicContact CG1-CE2 4.45Å; V176-Y202 HydrophobicContact CG2-CD2 4.49Å; V176-Y202 HydrophobicContact CG2-CE2 4.39Å; V176-P350 HydrophobicContact CG2-CB 3.74Å; V176-A351 HydrophobicContact CG1-CB 4.27Å; V176-T354 WeakPolarHBondContact CG1-OG1 3.43Å
177	A	98.5	Very high	96.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	149.7	166.7	0	0	0	0	0	111	L137 F193 Y198 A200 V201 Y202	L137-A177 HydrophobicContact CD1-CB 4.26Å; A177-F193 HydrophobicContact CB-CB 4.49Å; A177-F193 HydrophobicContact CB-CD1 4.11Å; A177-F193 HydrophobicContact CB-CD2 3.62Å; A177-F193 HydrophobicContact CB-CE1 4.19Å; A177-F193 HydrophobicContact CB-CE2 3.73Å; A177-F193 HydrophobicContact CB-CG 3.83Å; A177-F193 HydrophobicContact CB-CZ 4Å; A177-Y198 HydrophobicContact CB-CD2 3.67Å; A177-Y198 HydrophobicContact CB-CE2 4.16Å; A177-Y198 HydrophobicContact CB-CG 4.49Å; A177-A200 PolarHBondContact N-O 2.67Å; A177-V201 HydrophobicContact CB-CB 3.91Å; A177-V201 HydrophobicContact CB-CG2 3.72Å; A177-Y202 PolarHBondContact O-N 2.58Å
178	W	98.5	Very high	96.6	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	98.7	-179.6	-165.8	-100.5	0	0	0	107.7	I53 V104 A136 L137 M142 I180 Y202 F251 M307 L309 P350	I53-W178 HydrophobicContact CG2-CH2 4.31Å; V104-W178 HydrophobicContact CG2-CB 4.42Å; V104-W178 HydrophobicContact CG2-CG 4.07Å; A136-W178 HydrophobicContact CB-CB 3.82Å; A136-W178 HydrophobicContact CB-CG 4.27Å; L137-W178 HydrophobicContact CB-CB 4.17Å; M142-W178 WeakPolarHBondContact CE-O 3.38Å; W178-I180 HydrophobicContact CD2-CG2 3.72Å; W178-I180 HydrophobicContact CE3-CG2 4.39Å; W178-I180 HydrophobicContact CG-CG2 3.98Å; W178-I180 HydrophobicContact CH2-CG2 4.42Å; W178-I180 HydrophobicContact CZ2-CG2 3.75Å; W178-I180 VanDerWaalsContact NE1-CD1 3.33Å; W178-I180 VanDerWaalsContact NE1-CG2 3.33Å; W178-Y202 HydrophobicContact CE3-CD2 4.01Å; W178-Y202 HydrophobicContact CE3-CG 4.13Å; W178-Y202 HydrophobicContact CZ3-CD2 4.01Å; W178-Y202 AromaticContact CZ3-CG 3.9Å; W178-Y202 HydrophobicContact CZ3-CG 3.9Å; W178-F251 HydrophobicContact CH2-CE1 4.24Å; W178-F251 AromaticContact CH2-CZ 3.61Å; W178-F251 HydrophobicContact CH2-CZ 3.61Å; W178-F251 AromaticContact CZ2-CZ 3.96Å; W178-F251 HydrophobicContact CZ2-CZ 3.96Å; W178-F251 HydrophobicContact CZ3-CE1 4.42Å; W178-F251 AromaticContact CZ3-CZ 4Å; W178-F251 HydrophobicContact CZ3-CZ 4Å; W178-M307 HydrophobicContact CH2-SD 4.4Å; W178-L309 HydrophobicContact CH2-CD2 3.74Å; W178-L309 HydrophobicContact CZ2-CD2 4.23Å; W178-P350 HydrophobicContact CD2-CG 4.46Å; W178-P350 HydrophobicContact CE3-CB 3.87Å; W178-P350 HydrophobicContact CE3-CG 3.58Å; W178-P350 HydrophobicContact CH2-CG 3.68Å; W178-P350 HydrophobicContact CZ3-CB 3.58Å; W178-P350 HydrophobicContact CZ3-CG 3.14Å
179	Q	98.1	Very high	96.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.			trans	-121.3	60.3	-175.2	-77.5	-69.4	22.4	0	0	108.8	A143 E145 P182 H185 H189 F193 V201 Y202 F203	A143-Q179 PolarHBondContact O-NE2 2.81Å; A143-Q179 PolarHBondContact O-OE1 3.37Å; E145-Q179 WeakPolarHBondContact OE1-CG 3.45Å; Q179-P182 HydrophobicContact CB-CG 4.12Å; Q179-P182 WeakPolarHBondContact O-CD 3.46Å; Q179-H185 PolarHBondContact O-CE1 3.41Å; Q179-H189 PolarHBondContact NE2-NE2 2.86Å; Q179-F193 HydrophobicContact CG-CE2 3.81Å; Q179-F193 HydrophobicContact CG-CZ 3.7Å; Q179-V201 HydrophobicContact CB-CG2 4.4Å; Q179-V201 HydrophobicContact CG-CG2 4.5Å; Q179-Y202 CarbonylContact C-O 3.57Å; Q179-Y202 PolarHBondContact N-O 2.87Å; Q179-F203 WeakPolarHBondContact O-CA 3.4Å; Q179-F203 WeakPolarHBondContact O-CB 3.5Å
180	I	98.3	Very high	96.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.			trans	-79	-26.5	-164.7	57.4	164	0	0	0	114.4	H57 M142 W178 Q204 F251 Y255	H57-I180 HydrophobicContact CB-CD1 4.08Å; M142-I180 HydrophobicContact CE-CD1 4.44Å; M142-I180 HydrophobicContact CE-CG1 3.54Å; M142-I180 HydrophobicContact SD-CG1 4.19Å; W178-I180 HydrophobicContact CD2-CG2 3.72Å; W178-I180 HydrophobicContact CE3-CG2 4.39Å; W178-I180 HydrophobicContact CG-CG2 3.98Å; W178-I180 HydrophobicContact CH2-CG2 4.42Å; W178-I180 HydrophobicContact CZ2-CG2 3.75Å; W178-I180 VanDerWaalsContact NE1-CD1 3.33Å; W178-I180 VanDerWaalsContact NE1-CG2 3.33Å; I180-Q204 WeakPolarHBondContact O-CB 3.4Å; I180-F251 HydrophobicContact CB-CE2 3.92Å; I180-F251 HydrophobicContact CG2-CE2 3.31Å; I180-F251 HydrophobicContact CG2-CZ 3.49Å; I180-F251 VanDerWaalsContact CG2-CZ 3.49Å; I180-Y255 HydrophobicContact CB-CD1 4.34Å; I180-Y255 HydrophobicContact CB-CG 4.33Å; I180-Y255 HydrophobicContact CD1-CD1 4.34Å; I180-Y255 HydrophobicContact CD1-CD2 3.91Å; I180-Y255 HydrophobicContact CD1-CG 3.78Å; I180-Y255 HydrophobicContact CG1-CG 4.39Å
181	D	97.6	Very high	97	Very high	12 Å²	12	6.4 Å²	6.4	6%	0.064	3%	0.033	C	C	.	.	S	Bend	trans	-120.4	1.5	-178.5	-148.9	33.6	0	0	0	119.6	H57 F183 R205 Y255 H445	H57-D181 WeakPolarHBondContact NE2-CB 3.39Å; H57-D181 IonicContact NE2-OD2 2.72Å; D181-F183 VanDerWaalsContact O-CD1 3.31Å; D181-F183 WeakPolarHBondContact O-CD1 3.5Å; D181-F183 VanDerWaalsContact O-CE1 3.24Å; D181-F183 WeakPolarHBondContact O-CE1 3.48Å; D181-R205 IonicContact OD1-CZ 2.67Å; D181-R205 IonicContact OD1-NE 2.72Å; D181-R205 PolarHBondContact OD1-NE 3.45Å; D181-R205 IonicContact OD1-NH2 2.88Å; D181-R205 PolarHBondContact OD1-NH2 3.23Å; D181-R205 IonicContact OD2-NH2 3.62Å; D181-Y255 HydrophobicContact CB-CD1 4.5Å; D181-Y255 HydrophobicContact CB-CE1 3.95Å; D181-Y255 WeakPolarHBondContact OD1-CE1 3.39Å; D181-H445 PolarHBondContact O-CD2 2.94Å; D181-H445 IonicContact OD2-NE2 3Å
182	P	98.2	Very high	97.1	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	-59.8	147.9	167.4	-21	31.5	0	0	0	113.4	M142 Q179 G184 R205 H445	M142-P182 HydrophobicContact CG-CG 4.34Å; M142-P182 HydrophobicContact SD-CG 4.34Å; Q179-P182 HydrophobicContact CB-CG 4.12Å; Q179-P182 WeakPolarHBondContact O-CD 3.46Å; P182-G184 PolarHBondContact O-N 3.43Å; P182-R205 WeakPolarHBondContact O-CD 3.24Å; P182-H445 HydrophobicContact CB-CB 4.44Å; P182-H445 HydrophobicContact CG-CB 4.4Å
183	F	97.2	Very high	97.1	Very high	1 Å²	1	4.7 Å²	4.7	0%	0.004	2%	0.021	C	C	.	.	S	Bend	trans	-87.3	48.4	-170.9	-36	-50.8	0	0	0	113.1	D181 Y377 W385 Y388 H445 T449 T451 Y777	D181-F183 VanDerWaalsContact O-CD1 3.31Å; D181-F183 WeakPolarHBondContact O-CD1 3.5Å; D181-F183 VanDerWaalsContact O-CE1 3.24Å; D181-F183 WeakPolarHBondContact O-CE1 3.48Å; F183-Y377 HydrophobicContact CB-CD1 4.44Å; F183-Y377 WeakPolarHBondContact O-CB 3.39Å; F183-W385 HydrophobicContact CB-CD2 4.46Å; F183-W385 HydrophobicContact CB-CE3 3.7Å; F183-W385 HydrophobicContact CB-CZ3 4.4Å; F183-W385 AromaticContact CD1-CE3 3.75Å; F183-W385 HydrophobicContact CD1-CE3 3.75Å; F183-W385 AromaticContact CD1-CZ3 3.56Å; F183-W385 HydrophobicContact CD1-CZ3 3.56Å; F183-W385 HydrophobicContact CD2-CE3 4.46Å; F183-W385 HydrophobicContact CE1-CZ3 4.06Å; F183-W385 AromaticContact CG-CE3 3.68Å; F183-W385 HydrophobicContact CG-CE3 3.68Å; F183-W385 AromaticContact CG-CZ3 3.97Å; F183-W385 HydrophobicContact CG-CZ3 3.97Å; F183-Y388 HydrophobicContact CB-CD1 4.21Å; F183-Y388 HydrophobicContact CB-CE1 3.44Å; F183-Y388 VanDerWaalsContact CB-CE1 3.44Å; F183-Y388 AromaticContact CD2-CD1 3.91Å; F183-Y388 HydrophobicContact CD2-CD1 3.91Å; F183-Y388 HydrophobicContact CD2-CD2 4.03Å; F183-Y388 AromaticContact CD2-CE1 3.81Å; F183-Y388 HydrophobicContact CD2-CE1 3.81Å; F183-Y388 AromaticContact CD2-CE2 3.93Å; F183-Y388 HydrophobicContact CD2-CE2 3.93Å; F183-Y388 HydrophobicContact CD2-CG 4.01Å; F183-Y388 AromaticContact CD2-CZ 3.82Å; F183-Y388 HydrophobicContact CG-CD1 4.45Å; F183-Y388 HydrophobicContact CG-CE1 4.09Å; F183-Y388 PolarHBondContact O-OH 3.35Å; F183-H445 AromaticContact CE1-CD2 3.81Å; F183-H445 VanDerWaalsContact CE2-O 3.27Å; F183-H445 WeakPolarHBondContact CE2-O 3.27Å; F183-H445 AromaticContact CZ-CD2 3.59Å; F183-T449 HydrophobicContact CD2-CG2 4.28Å; F183-T449 HydrophobicContact CE2-CG2 4.03Å; F183-T451 HydrophobicContact CE2-CG2 4.14Å; F183-T451 WeakPolarHBondContact CE2-OG1 3.29Å; F183-Y777 HydrophobicContact CD1-CD1 4.48Å; F183-Y777 HydrophobicContact CD1-CE1 4.41Å; F183-Y777 HydrophobicContact CD2-CD1 4.09Å; F183-Y777 HydrophobicContact CD2-CE1 4.29Å; F183-Y777 HydrophobicContact CE1-CD1 4.32Å; F183-Y777 AromaticContact CE1-CE1 3.81Å; F183-Y777 HydrophobicContact CE1-CE1 3.81Å; F183-Y777 AromaticContact CE2-CD1 3.91Å; F183-Y777 HydrophobicContact CE2-CD1 3.91Å; F183-Y777 AromaticContact CE2-CE1 3.66Å; F183-Y777 HydrophobicContact CE2-CE1 3.66Å; F183-Y777 HydrophobicContact CG-CD1 4.39Å; F183-Y777 HydrophobicContact CZ-CD1 4.05Å; F183-Y777 AromaticContact CZ-CE1 3.41Å; F183-Y777 HydrophobicContact CZ-CE1 3.41Å; F183-Y777 VanDerWaalsContact CZ-CE1 3.41Å
184	G	96.8	Very high	97	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	120.6	163.7	-174.1	0	0	0	0	0	111.9	P182 F375	P182-G184 PolarHBondContact O-N 3.43Å; G184-F375 VanDerWaalsContact C-CE1 3.44Å; G184-F375 VanDerWaalsContact C-CZ 3.42Å; G184-F375 VanDerWaalsContact CA-CE1 3.46Å; G184-F375 WeakPolarHBondContact O-CZ 3.41Å
185	H	98.3	Very high	96.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.026	C	C	.	.			trans	-129.2	131.6	-166.4	-53.5	-70.2	0	0	0	112	E145 Q179 F203 R205 W224 D373 F374	E145-H185 IonicContact OE1-CE1 3.14Å; E145-H185 IonicContact OE1-CG 3.52Å; E145-H185 IonicContact OE1-ND1 3.95Å; E145-H185 PolarHBondContact OE1-ND1 3.14Å; E145-H185 WeakPolarHBondContact OE2-CA 3.32Å; Q179-H185 PolarHBondContact O-CE1 3.41Å; H185-F203 HydrophobicContact CB-CE1 4.37Å; H185-F203 AromaticContact CD2-CD1 3.84Å; H185-F203 AromaticContact CD2-CD2 3.34Å; H185-F203 WeakPolarHBondContact CD2-CD2 3.25Å; H185-F203 AromaticContact CD2-CE2 3.64Å; H185-F203 AromaticContact CD2-CG 3.46Å; H185-F203 VanDerWaalsContact CD2-CG 3.46Å; H185-F203 WeakPolarHBondContact CD2-CG 3.4Å; H185-F203 WeakPolarHBondContact CE1-CB 3.3Å; H185-F203 AromaticContact CE1-CG 3.56Å; H185-F203 AromaticContact CG-CD1 3.78Å; H185-F203 AromaticContact CG-CG 3.85Å; H185-F203 AromaticContact ND1-CD1 3.88Å; H185-F203 AromaticContact ND1-CG 3.89Å; H185-F203 VanDerWaalsContact NE2-CB 3.28Å; H185-F203 WeakPolarHBondContact NE2-CB 3.26Å; H185-F203 AromaticContact NE2-CD2 3.33Å; H185-F203 VanDerWaalsContact NE2-CD2 3.33Å; H185-F203 WeakPolarHBondContact NE2-CD2 3.29Å; H185-F203 AromaticContact NE2-CG 3.28Å; H185-F203 VanDerWaalsContact NE2-CG 3.28Å; H185-F203 WeakPolarHBondContact NE2-CG 3.25Å; H185-R205 PolarHBondContact CD2-O 2.77Å; H185-R205 PolarHBondContact NE2-O 3.45Å; H185-W224 HydrophobicContact CB-CH2 3.79Å; H185-W224 HydrophobicContact CB-CZ3 4.11Å; H185-D373 WeakPolarHBondContact O-CB 3.42Å; H185-F374 HydrophobicContact CB-CB 4.12Å; H185-F374 HydrophobicContact CB-CD2 3.83Å; H185-F374 HydrophobicContact CB-CG 4.3Å; H185-F374 PolarHBondContact O-N 3.48Å
186	S	97.5	Very high	96.8	Very high	1 Å²	1	5 Å²	5	1%	0.007	3%	0.025	C	C	.	.			trans	-92.8	133.9	-175.1	175.5	0	0	0	0	111.3	E145 D188 H189 S190 S867 S868	E145-S186 WeakPolarHBondContact O-CB 3.36Å; E145-S186 PolarHBondContact OE2-N 3.13Å; S186-D188 VanDerWaalsContact C-N 3.33Å; S186-D188 PolarHBondContact O-N 3.2Å; S186-D188 PolarHBondContact OG-N 2.91Å; S186-H189 PolarHBondContact O-N 2.55Å; S186-H189 PolarHBondContact OG-N 3.06Å; S186-S190 PolarHBondContact O-N 2.86Å; S186-S867 PolarHBondContact OG-OG 2.94Å; S186-S868 WeakPolarHBondContact CB-OG 3.39Å; S186-S868 PolarHBondContact OG-OG 3.49Å
187	R	95.3	Very high	96.6	Very high	17 Å²	17	6.1 Å²	6.1	6%	0.064	4%	0.037	C	C	.	.	H	α-helix	trans	-54.7	-49.7	173.6	-178	-161.6	63.1	-162.8	-5.7	111.2	S190 N191 W224 D373 L872	R187-S190 PolarHBondContact O-N 3.07Å; R187-N191 PolarHBondContact O-N 3.26Å; R187-W224 HydrophobicContact CB-CZ2 4.41Å; R187-D373 HydrophobicContact CB-CB 4.09Å; R187-L872 PolarHBondContact NH2-O 3Å
188	D	95.3	Very high	96.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-73.2	-30.8	-176.4	-85.6	-85.5	0	0	0	112.8	S186 S190 N191 L192 S867 R870 R871	S186-D188 VanDerWaalsContact C-N 3.33Å; S186-D188 PolarHBondContact O-N 3.2Å; S186-D188 PolarHBondContact OG-N 2.91Å; D188-S190 VanDerWaalsContact C-N 3.34Å; D188-N191 WeakPolarHBondContact O-CB 3.48Å; D188-N191 PolarHBondContact O-N 2.87Å; D188-L192 WeakPolarHBondContact O-CG 3.45Å; D188-L192 PolarHBondContact O-N 3.34Å; D188-L192 VanDerWaalsContact O-N 3.08Å; D188-S867 WeakPolarHBondContact CB-O 3.47Å; D188-S867 WeakPolarHBondContact CB-OG 3.45Å; D188-S867 PolarHBondContact N-OG 3.06Å; D188-S867 VanDerWaalsContact OD2-CB 3.28Å; D188-S867 WeakPolarHBondContact OD2-CB 3.38Å; D188-S867 PolarHBondContact OD2-OG 3.34Å; D188-R870 HydrophobicContact CB-CB 4.43Å; D188-R871 IonicContact OD1-CZ 3.92Å; D188-R871 IonicContact OD1-NE 3.27Å; D188-R871 PolarHBondContact OD1-NE 3.39Å; D188-R871 IonicContact OD1-NH2 2.73Å; D188-R871 PolarHBondContact OD1-NH2 3Å
189	H	97.3	Very high	96.5	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-64.3	-42.6	172.2	-159.6	117.7	0	0	0	110.6	E145 Q179 S186 N191 L192 F193	E145-H189 HydrophobicContact CB-CB 4.31Å; E145-H189 HydrophobicContact CG-CB 4.16Å; E145-H189 IonicContact OE2-CG 2.66Å; Q179-H189 PolarHBondContact NE2-NE2 2.86Å; S186-H189 PolarHBondContact O-N 2.55Å; S186-H189 PolarHBondContact OG-N 3.06Å; H189-N191 VanDerWaalsContact C-N 3.31Å; H189-N191 PolarHBondContact O-N 2.99Å; H189-L192 VanDerWaalsContact O-CB 3.29Å; H189-L192 WeakPolarHBondContact O-CB 3.46Å; H189-L192 PolarHBondContact O-N 3.22Å; H189-L192 VanDerWaalsContact O-N 3.08Å; H189-F193 AromaticContact CD2-CE1 3.79Å; H189-F193 AromaticContact CD2-CE2 3.75Å; H189-F193 AromaticContact CD2-CZ 3.33Å; H189-F193 WeakPolarHBondContact CD2-CZ 3.41Å; H189-F193 AromaticContact NE2-CE1 3.82Å; H189-F193 AromaticContact NE2-CZ 3.51Å; H189-F193 PolarHBondContact O-N 2.9Å
190	S	95.6	Very high	96.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-68	-28.1	173.1	-70.9	0	0	0	0	113.6	S186 R187 D188 L192 F193 Q194 W224	S186-S190 PolarHBondContact O-N 2.86Å; R187-S190 PolarHBondContact O-N 3.07Å; D188-S190 VanDerWaalsContact C-N 3.34Å; S190-L192 VanDerWaalsContact C-N 3.3Å; S190-F193 WeakPolarHBondContact O-CB 3.39Å; S190-F193 PolarHBondContact O-N 2.93Å; S190-Q194 PolarHBondContact O-N 3.15Å; S190-W224 WeakPolarHBondContact OG-CH2 3.14Å; S190-W224 WeakPolarHBondContact OG-CZ3 3.42Å
191	N	94.6	Very high	96.5	Very high	9 Å²	9	6.6 Å²	6.6	5%	0.048	4%	0.039	C	C	.	.	H	α-helix	trans	-63.4	-37.9	168.9	-173.7	-110	0	0	0	111.7	R187 D188 H189 F193 Q194 D195 T226 R870 R871	R187-N191 PolarHBondContact O-N 3.26Å; D188-N191 WeakPolarHBondContact O-CB 3.48Å; D188-N191 PolarHBondContact O-N 2.87Å; H189-N191 VanDerWaalsContact C-N 3.31Å; H189-N191 PolarHBondContact O-N 2.99Å; N191-F193 VanDerWaalsContact C-N 3.3Å; N191-F193 PolarHBondContact O-N 3.04Å; N191-Q194 PolarHBondContact O-N 3.47Å; N191-D195 PolarHBondContact O-N 2.96Å; N191-D195 VanDerWaalsContact O-N 3.17Å; N191-T226 PolarHBondContact ND2-OG1 2.55Å; N191-R870 PolarHBondContact OD1-NH1 2.85Å; N191-R871 VanDerWaalsContact CG-NH2 3.3Å; N191-R871 PolarHBondContact OD1-NH2 3.05Å
192	L	96.5	Very high	96.5	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-61.3	-39.8	173.9	-54.3	175.4	0	0	0	111.1	A153 I154 D188 H189 S190 Q194 D195 V196 L1092 I1137	A153-L192 HydrophobicContact CB-CD1 4.17Å; I154-L192 HydrophobicContact CD1-CD2 4.11Å; I154-L192 HydrophobicContact CG1-CD1 4.11Å; I154-L192 HydrophobicContact CG1-CD2 4.28Å; D188-L192 WeakPolarHBondContact O-CG 3.45Å; D188-L192 PolarHBondContact O-N 3.34Å; D188-L192 VanDerWaalsContact O-N 3.08Å; H189-L192 VanDerWaalsContact O-CB 3.29Å; H189-L192 WeakPolarHBondContact O-CB 3.46Å; H189-L192 PolarHBondContact O-N 3.22Å; H189-L192 VanDerWaalsContact O-N 3.08Å; S190-L192 VanDerWaalsContact C-N 3.3Å; L192-Q194 VanDerWaalsContact C-N 3.29Å; L192-Q194 PolarHBondContact O-N 3.12Å; L192-D195 CarbonylContact O-C 3.55Å; L192-D195 WeakPolarHBondContact O-CA 3.06Å; L192-D195 PolarHBondContact O-N 3.36Å; L192-V196 WeakPolarHBondContact O-CG2 3.43Å; L192-V196 PolarHBondContact O-N 2.88Å; L192-L1092 HydrophobicContact CB-CD2 3.8Å; L192-L1092 HydrophobicContact CD2-CD2 3.87Å; L192-L1092 HydrophobicContact CG-CD2 4.37Å; L192-I1137 HydrophobicContact CD2-CD1 4.28Å
193	F	97.4	Very high	96.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-59.3	-37.3	176.1	-65.4	-30.4	0	0	0	113.4	L137 L157 A177 Q179 H189 S190 N191 V196 G197 Y198 V201 L246	L137-F193 HydrophobicContact CD1-CE1 3.74Å; L137-F193 HydrophobicContact CD1-CZ 3.95Å; L157-F193 HydrophobicContact CD1-CD1 4.31Å; L157-F193 HydrophobicContact CD1-CE1 4.02Å; A177-F193 HydrophobicContact CB-CB 4.49Å; A177-F193 HydrophobicContact CB-CD1 4.11Å; A177-F193 HydrophobicContact CB-CD2 3.62Å; A177-F193 HydrophobicContact CB-CE1 4.19Å; A177-F193 HydrophobicContact CB-CE2 3.73Å; A177-F193 HydrophobicContact CB-CG 3.83Å; A177-F193 HydrophobicContact CB-CZ 4Å; Q179-F193 HydrophobicContact CG-CE2 3.81Å; Q179-F193 HydrophobicContact CG-CZ 3.7Å; H189-F193 AromaticContact CD2-CE1 3.79Å; H189-F193 AromaticContact CD2-CE2 3.75Å; H189-F193 AromaticContact CD2-CZ 3.33Å; H189-F193 WeakPolarHBondContact CD2-CZ 3.41Å; H189-F193 AromaticContact NE2-CE1 3.82Å; H189-F193 AromaticContact NE2-CZ 3.51Å; H189-F193 PolarHBondContact O-N 2.9Å; S190-F193 WeakPolarHBondContact O-CB 3.39Å; S190-F193 PolarHBondContact O-N 2.93Å; N191-F193 VanDerWaalsContact C-N 3.3Å; N191-F193 PolarHBondContact O-N 3.04Å; F193-V196 PolarHBondContact O-N 2.87Å; F193-G197 PolarHBondContact O-N 2.82Å; F193-G197 VanDerWaalsContact O-N 3.08Å; F193-Y198 HydrophobicContact CB-CD2 3.84Å; F193-Y198 AromaticContact CD1-CD2 3.82Å; F193-Y198 HydrophobicContact CD1-CD2 3.82Å; F193-Y198 AromaticContact CD1-CE2 3.9Å; F193-Y198 HydrophobicContact CD1-CE2 3.9Å; F193-Y198 HydrophobicContact CE1-CE2 4.45Å; F193-Y198 HydrophobicContact CG-CD2 4.01Å; F193-Y198 PolarHBondContact O-N 3.46Å; F193-V201 HydrophobicContact CD2-CB 4.48Å; F193-V201 HydrophobicContact CD2-CG2 4.21Å; F193-V201 HydrophobicContact CE2-CG2 4.07Å; F193-L246 HydrophobicContact CB-CD2 3.97Å; F193-L246 HydrophobicContact CD2-CD2 4.27Å
194	Q	93.3	Very high	96.5	Very high	35 Å²	35	7.4 Å²	7.4	16%	0.164	4%	0.042	C	C	.	.	H	α-helix	trans	-66.3	-39	172.6	-63	-170.4	41.3	0	0	111.9	S190 N191 L192 V196 G197 T226 Y244 L246	S190-Q194 PolarHBondContact O-N 3.15Å; N191-Q194 PolarHBondContact O-N 3.47Å; L192-Q194 VanDerWaalsContact C-N 3.29Å; L192-Q194 PolarHBondContact O-N 3.12Å; Q194-V196 VanDerWaalsContact C-N 3.33Å; Q194-G197 PolarHBondContact O-N 2.88Å; Q194-G197 VanDerWaalsContact O-N 3.12Å; Q194-T226 PolarHBondContact NE2-OG1 3.08Å; Q194-Y244 PolarHBondContact OE1-O 2.89Å; Q194-L246 HydrophobicContact CG-CB 3.92Å; Q194-L246 HydrophobicContact CG-CD1 4.23Å; Q194-L246 HydrophobicContact CG-CD2 4.46Å; Q194-L246 HydrophobicContact CG-CG 4.44Å
195	D	93.6	Very high	96.6	Very high	19 Å²	19	8.9 Å²	8.9	10%	0.102	5%	0.047	C	C	.	.	H	α-helix	trans	-71.8	-26.7	178	-76.3	-25.1	0	0	0	112.9	N191 L192 G197 L1092 K1098	N191-D195 PolarHBondContact O-N 2.96Å; N191-D195 VanDerWaalsContact O-N 3.17Å; L192-D195 CarbonylContact O-C 3.55Å; L192-D195 WeakPolarHBondContact O-CA 3.06Å; L192-D195 PolarHBondContact O-N 3.36Å; D195-G197 VanDerWaalsContact C-N 3.33Å; D195-L1092 HydrophobicContact CB-CB 4.02Å; D195-L1092 HydrophobicContact CB-CD2 3.91Å; D195-L1092 PolarHBondContact O-N 3.17Å; D195-K1098 IonicContact OD1-NZ 3.47Å
196	V	96.1	Very high	96.5	Very high	7 Å²	7	9 Å²	9	4%	0.042	5%	0.048	C	C	.	.	H	α-helix	trans	-67.1	-35.5	166.5	171	0	0	0	0	111.1	L157 L192 F193 Q194 Y198 T1091 L1092 T1093	L157-V196 HydrophobicContact CD1-CG2 4.38Å; L192-V196 WeakPolarHBondContact O-CG2 3.43Å; L192-V196 PolarHBondContact O-N 2.88Å; F193-V196 PolarHBondContact O-N 2.87Å; Q194-V196 VanDerWaalsContact C-N 3.33Å; V196-Y198 HydrophobicContact CB-CE2 4.4Å; V196-Y198 HydrophobicContact CG1-CD1 4.09Å; V196-Y198 HydrophobicContact CG1-CD2 4.23Å; V196-Y198 HydrophobicContact CG1-CE1 3.6Å; V196-Y198 HydrophobicContact CG1-CE2 3.83Å; V196-Y198 HydrophobicContact CG1-CG 4.36Å; V196-Y198 VanDerWaalsContact CG1-CZ 3.45Å; V196-T1091 WeakPolarHBondContact O-CB 3.31Å; V196-L1092 HydrophobicContact CG2-CB 4.02Å; V196-L1092 HydrophobicContact CG2-CD2 4.15Å; V196-L1092 HydrophobicContact CG2-CG 4.48Å; V196-T1093 HydrophobicContact CB-CG2 4.48Å; V196-T1093 HydrophobicContact CG1-CG2 4.07Å; V196-T1093 HydrophobicContact CG2-CG2 3.7Å
197	G	94.5	Very high	96.5	Very high	25 Å²	25	9.2 Å²	9.2	26%	0.258	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.4	26	179.8	0	0	0	0	0	114	F193 Q194 D195	F193-G197 PolarHBondContact O-N 2.82Å; F193-G197 VanDerWaalsContact O-N 3.08Å; Q194-G197 PolarHBondContact O-N 2.88Å; Q194-G197 VanDerWaalsContact O-N 3.12Å; D195-G197 VanDerWaalsContact C-N 3.33Å
198	Y	97.2	Very high	96.5	Very high	5 Å²	5	11.7 Å²	11.7	2%	0.02	6%	0.059	C	C	.	.			trans	-77.2	140.8	171.6	-62.6	-28.9	0	0	0	111.9	L137 N161 P174 L175 A177 F193 V196 L246	L137-Y198 HydrophobicContact CD1-CE2 4.47Å; L137-Y198 PolarHBondContact O-OH 3.41Å; N161-Y198 PolarHBondContact ND2-OH 2.98Å; P174-Y198 HydrophobicContact CB-CE1 3.88Å; P174-Y198 WeakPolarHBondContact O-CE1 3.17Å; L175-Y198 WeakPolarHBondContact O-CA 3.42Å; A177-Y198 HydrophobicContact CB-CD2 3.67Å; A177-Y198 HydrophobicContact CB-CE2 4.16Å; A177-Y198 HydrophobicContact CB-CG 4.49Å; F193-Y198 HydrophobicContact CB-CD2 3.84Å; F193-Y198 AromaticContact CD1-CD2 3.82Å; F193-Y198 HydrophobicContact CD1-CD2 3.82Å; F193-Y198 AromaticContact CD1-CE2 3.9Å; F193-Y198 HydrophobicContact CD1-CE2 3.9Å; F193-Y198 HydrophobicContact CE1-CE2 4.45Å; F193-Y198 HydrophobicContact CG-CD2 4.01Å; F193-Y198 PolarHBondContact O-N 3.46Å; V196-Y198 HydrophobicContact CB-CE2 4.4Å; V196-Y198 HydrophobicContact CG1-CD1 4.09Å; V196-Y198 HydrophobicContact CG1-CD2 4.23Å; V196-Y198 HydrophobicContact CG1-CE1 3.6Å; V196-Y198 HydrophobicContact CG1-CE2 3.83Å; V196-Y198 HydrophobicContact CG1-CG 4.36Å; V196-Y198 VanDerWaalsContact CG1-CZ 3.45Å; Y198-L246 WeakPolarHBondContact O-CD1 3.28Å
199	D	97	Very high	96.6	Very high	6 Å²	6	12.8 Å²	12.8	3%	0.032	6%	0.063	C	C	.	.	S	Bend	trans	-88.1	-19.5	179.5	-71	-60.1	0	0	0	112.9	Y37 L175 T354 R1105 L1106	Y37-D199 WeakPolarHBondContact CE2-OD2 3.35Å; Y37-D199 VanDerWaalsContact OH-CB 3.29Å; Y37-D199 WeakPolarHBondContact OH-CB 3.36Å; Y37-D199 PolarHBondContact OH-OD2 3.07Å; Y37-D199 VanDerWaalsContact OH-OD2 3.07Å; L175-D199 PolarHBondContact O-N 2.92Å; D199-T354 HydrophobicContact CB-CG2 4.47Å; D199-R1105 WeakPolarHBondContact OD1-CA 3.34Å; D199-R1105 WeakPolarHBondContact OD1-CG 3.32Å; D199-L1106 HydrophobicContact CB-CB 4.33Å; D199-L1106 HydrophobicContact CB-CD1 4.12Å; D199-L1106 HydrophobicContact CB-CG 4.22Å; D199-L1106 PolarHBondContact OD1-N 3.18Å
200	A	98.3	Very high	96.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	162.2	-179.6	0	0	0	0	0	113.4	V176 A177 Y202 F247 T354	V176-A200 CarbonylContact C-O 3.6Å; V176-A200 WeakPolarHBondContact CA-O 3.08Å; V176-A200 HydrophobicContact CB-CB 4.21Å; V176-A200 HydrophobicContact CG1-CB 3.84Å; A177-A200 PolarHBondContact N-O 2.67Å; A200-Y202 HydrophobicContact CB-CE2 3.87Å; A200-F247 CarbonylContact C-O 3.51Å; A200-F247 WeakPolarHBondContact CA-O 3.48Å; A200-F247 HydrophobicContact CB-CB 4.21Å; A200-F247 HydrophobicContact CB-CD1 3.72Å; A200-F247 HydrophobicContact CB-CG 4.46Å; A200-T354 HydrophobicContact CB-CG2 3.64Å
201	V	98.5	Very high	96.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.3	165	63.8	0	0	0	0	110.1	A177 Q179 F193 F203 W224 L246 F247 T248 G249	A177-V201 HydrophobicContact CB-CB 3.91Å; A177-V201 HydrophobicContact CB-CG2 3.72Å; Q179-V201 HydrophobicContact CB-CG2 4.4Å; Q179-V201 HydrophobicContact CG-CG2 4.5Å; F193-V201 HydrophobicContact CD2-CB 4.48Å; F193-V201 HydrophobicContact CD2-CG2 4.21Å; F193-V201 HydrophobicContact CE2-CG2 4.07Å; V201-F203 HydrophobicContact CG1-CD1 4.37Å; V201-F203 HydrophobicContact CG1-CE1 4.12Å; V201-F203 HydrophobicContact CG2-CD1 4.11Å; V201-W224 HydrophobicContact CG1-CE3 4.42Å; V201-L246 HydrophobicContact CB-CD2 3.85Å; V201-L246 HydrophobicContact CB-CG 4.36Å; V201-L246 HydrophobicContact CG1-CD2 3.61Å; V201-L246 HydrophobicContact CG1-CG 3.96Å; V201-F247 PolarHBondContact N-O 2.85Å; V201-T248 HydrophobicContact CG1-CG2 4.11Å; V201-T248 WeakPolarHBondContact CG1-OG1 3.25Å; V201-T248 WeakPolarHBondContact O-CA 3.44Å; V201-G249 PolarHBondContact O-N 3.2Å
202	Y	98.7	Very high	96.8	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.012	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136	175.7	-65.3	-83.9	0	0	0	110.9	V176 A177 W178 Q179 A200 F247 G249 F251 M307 P350 Y353 T354	V176-Y202 HydrophobicContact CB-CE2 4.34Å; V176-Y202 HydrophobicContact CG1-CE2 4.45Å; V176-Y202 HydrophobicContact CG2-CD2 4.49Å; V176-Y202 HydrophobicContact CG2-CE2 4.39Å; A177-Y202 PolarHBondContact O-N 2.58Å; W178-Y202 HydrophobicContact CE3-CD2 4.01Å; W178-Y202 HydrophobicContact CE3-CG 4.13Å; W178-Y202 HydrophobicContact CZ3-CD2 4.01Å; W178-Y202 AromaticContact CZ3-CG 3.9Å; W178-Y202 HydrophobicContact CZ3-CG 3.9Å; Q179-Y202 CarbonylContact C-O 3.57Å; Q179-Y202 PolarHBondContact N-O 2.87Å; A200-Y202 HydrophobicContact CB-CE2 3.87Å; Y202-F247 HydrophobicContact CE1-CE1 4.29Å; Y202-G249 WeakPolarHBondContact CA-O 3.34Å; Y202-F251 HydrophobicContact CD1-CE1 4.13Å; Y202-F251 HydrophobicContact CG-CE1 4.36Å; Y202-M307 HydrophobicContact CD1-CE 3.78Å; Y202-M307 HydrophobicContact CD1-SD 4.3Å; Y202-M307 HydrophobicContact CE1-CE 3.42Å; Y202-M307 VanDerWaalsContact CE1-CE 3.42Å; Y202-M307 HydrophobicContact CE1-SD 4.45Å; Y202-M307 HydrophobicContact CE2-CE 4.4Å; Y202-M307 HydrophobicContact CG-CE 4.42Å; Y202-P350 HydrophobicContact CD2-CB 4.1Å; Y202-P350 HydrophobicContact CE2-CB 3.99Å; Y202-Y353 HydrophobicContact CE1-CD1 4.02Å; Y202-Y353 HydrophobicContact CE1-CE1 4.18Å; Y202-Y353 WeakPolarHBondContact OH-CD1 3.48Å; Y202-T354 PolarHBondContact OH-OG1 3.46Å
203	F	98.4	Very high	96.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	162.1	177.4	54.9	-109.2	0	0	0	113.9	Q179 H185 V201 I206 W224 T248 G249 M250 F251 F374	Q179-F203 WeakPolarHBondContact O-CA 3.4Å; Q179-F203 WeakPolarHBondContact O-CB 3.5Å; H185-F203 HydrophobicContact CB-CE1 4.37Å; H185-F203 AromaticContact CD2-CD1 3.84Å; H185-F203 AromaticContact CD2-CD2 3.34Å; H185-F203 WeakPolarHBondContact CD2-CD2 3.25Å; H185-F203 AromaticContact CD2-CE2 3.64Å; H185-F203 AromaticContact CD2-CG 3.46Å; H185-F203 VanDerWaalsContact CD2-CG 3.46Å; H185-F203 WeakPolarHBondContact CD2-CG 3.4Å; H185-F203 WeakPolarHBondContact CE1-CB 3.3Å; H185-F203 AromaticContact CE1-CG 3.56Å; H185-F203 AromaticContact CG-CD1 3.78Å; H185-F203 AromaticContact CG-CG 3.85Å; H185-F203 AromaticContact ND1-CD1 3.88Å; H185-F203 AromaticContact ND1-CG 3.89Å; H185-F203 VanDerWaalsContact NE2-CB 3.28Å; H185-F203 WeakPolarHBondContact NE2-CB 3.26Å; H185-F203 AromaticContact NE2-CD2 3.33Å; H185-F203 VanDerWaalsContact NE2-CD2 3.33Å; H185-F203 WeakPolarHBondContact NE2-CD2 3.29Å; H185-F203 AromaticContact NE2-CG 3.28Å; H185-F203 VanDerWaalsContact NE2-CG 3.28Å; H185-F203 WeakPolarHBondContact NE2-CG 3.25Å; V201-F203 HydrophobicContact CG1-CD1 4.37Å; V201-F203 HydrophobicContact CG1-CE1 4.12Å; V201-F203 HydrophobicContact CG2-CD1 4.11Å; F203-I206 HydrophobicContact CD2-CG2 3.95Å; F203-I206 HydrophobicContact CE2-CG2 3.44Å; F203-I206 VanDerWaalsContact CE2-CG2 3.44Å; F203-W224 HydrophobicContact CE1-CE3 4.22Å; F203-W224 AromaticContact CE1-CZ3 3.88Å; F203-W224 HydrophobicContact CE1-CZ3 3.88Å; F203-W224 HydrophobicContact CZ-CZ3 4.38Å; F203-T248 HydrophobicContact CD1-CG2 4.28Å; F203-T248 HydrophobicContact CE1-CG2 3.26Å; F203-T248 HydrophobicContact CE2-CG2 4.23Å; F203-T248 HydrophobicContact CZ-CG2 3.22Å; F203-G249 PolarHBondContact N-O 3.32Å; F203-G249 VanDerWaalsContact N-O 3.16Å; F203-M250 HydrophobicContact CD2-CG 4.12Å; F203-M250 HydrophobicContact CE2-CG 3.46Å; F203-M250 VanDerWaalsContact CE2-CG 3.46Å; F203-M250 HydrophobicContact CE2-SD 4.32Å; F203-M250 HydrophobicContact CZ-CG 4.06Å; F203-M250 WeakPolarHBondContact O-CA 3.27Å; F203-F251 PolarHBondContact O-N 3.43Å; F203-F374 HydrophobicContact CE1-CE2 4.21Å; F203-F374 HydrophobicContact CE2-CD1 4.41Å; F203-F374 HydrophobicContact CE2-CE1 4.04Å; F203-F374 HydrophobicContact CE2-CE2 4.15Å; F203-F374 AromaticContact CE2-CZ 3.88Å; F203-F374 HydrophobicContact CE2-CZ 3.88Å; F203-F374 HydrophobicContact CZ-CD2 4.01Å; F203-F374 HydrophobicContact CZ-CE1 4.06Å; F203-F374 AromaticContact CZ-CE2 3.41Å; F203-F374 HydrophobicContact CZ-CE2 3.41Å; F203-F374 VanDerWaalsContact CZ-CE2 3.41Å; F203-F374 AromaticContact CZ-CZ 3.42Å; F203-F374 HydrophobicContact CZ-CZ 3.42Å; F203-F374 VanDerWaalsContact CZ-CZ 3.42Å
204	Q	97.2	Very high	96.8	Very high	26 Å²	26	21 Å²	21	12%	0.121	10%	0.1	C	C	.	.			trans	-96.7	-41.4	-177.4	175.5	179.3	-50.8	0	0	114.4	I180 K211 F251 D253 T254	I180-Q204 WeakPolarHBondContact O-CB 3.4Å; Q204-K211 PolarHBondContact O-NZ 2.94Å; Q204-F251 HydrophobicContact CB-CD2 4Å; Q204-D253 WeakPolarHBondContact CG-O 3.35Å; Q204-T254 VanDerWaalsContact OE1-C 3.28Å; Q204-T254 PolarHBondContact OE1-OG1 3.3Å
205	R	97.1	Very high	97	Very high	31 Å²	31	20.1 Å²	20.1	12%	0.117	10%	0.095	C	C	.	.			trans	-96.9	104.7	-155.8	-69.8	172.4	-177.6	-104.2	8.9	111.3	D181 P182 H185 Y377 W385	D181-R205 IonicContact OD1-CZ 2.67Å; D181-R205 IonicContact OD1-NE 2.72Å; D181-R205 PolarHBondContact OD1-NE 3.45Å; D181-R205 IonicContact OD1-NH2 2.88Å; D181-R205 PolarHBondContact OD1-NH2 3.23Å; D181-R205 IonicContact OD2-NH2 3.62Å; P182-R205 WeakPolarHBondContact O-CD 3.24Å; H185-R205 PolarHBondContact CD2-O 2.77Å; H185-R205 PolarHBondContact NE2-O 3.45Å; R205-Y377 HydrophobicContact CB-CD1 4.24Å; R205-Y377 HydrophobicContact CB-CD2 4.24Å; R205-Y377 HydrophobicContact CB-CE1 3.87Å; R205-Y377 HydrophobicContact CB-CE2 3.87Å; R205-Y377 HydrophobicContact CB-CG 4.42Å; R205-Y377 HydrophobicContact CG-CE1 3.96Å; R205-Y377 HydrophobicContact CG-CE2 4.5Å; R205-W385 VanDerWaalsContact NH1-CZ2 3.25Å
206	I	96.7	Very high	97.2	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	12%	0.123	C	C	.	.			trans	-134.9	158.7	173.4	69.8	-172.3	0	0	0	109.5	F203 Y208 K211 M250 F374 Y377	F203-I206 HydrophobicContact CD2-CG2 3.95Å; F203-I206 HydrophobicContact CE2-CG2 3.44Å; F203-I206 VanDerWaalsContact CE2-CG2 3.44Å; I206-Y208 PolarHBondContact O-N 3.23Å; I206-K211 HydrophobicContact CD1-CB 3.76Å; I206-K211 HydrophobicContact CD1-CD 4.38Å; I206-K211 HydrophobicContact CD1-CG 3.93Å; I206-K211 HydrophobicContact CG1-CB 3.61Å; I206-K211 HydrophobicContact CG1-CD 4.05Å; I206-K211 HydrophobicContact CG1-CG 4Å; I206-M250 HydrophobicContact CD1-CB 4.26Å; I206-M250 HydrophobicContact CD1-CG 4.04Å; I206-M250 HydrophobicContact CD1-SD 3.42Å; I206-M250 WeakPolarHBondContact CD1-SD 3.32Å; I206-M250 HydrophobicContact CG2-CG 4.14Å; I206-M250 HydrophobicContact CG2-SD 4.07Å; I206-F374 HydrophobicContact CB-CD1 3.9Å; I206-F374 HydrophobicContact CB-CE1 4.21Å; I206-F374 HydrophobicContact CG2-CD1 3.39Å; I206-F374 HydrophobicContact CG2-CE1 3.51Å; I206-F374 HydrophobicContact CG2-CG 4.3Å; I206-F374 HydrophobicContact CG2-CZ 4.5Å; I206-Y377 VanDerWaalsContact O-CE2 3.27Å; I206-Y377 WeakPolarHBondContact O-CE2 3.2Å
207	D	97.4	Very high	97.3	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.027	14%	0.135	C	C	.	.			trans	-49	129.1	179.8	-172.3	-72.2	0	0	0	111.3	R209 E210 K211 A378 W883	D207-R209 PolarHBondContact O-N 2.82Å; D207-R209 VanDerWaalsContact OD1-CB 3.25Å; D207-R209 WeakPolarHBondContact OD1-CB 3.27Å; D207-R209 IonicContact OD1-CZ 2.76Å; D207-R209 PolarHBondContact OD1-N 3.02Å; D207-R209 IonicContact OD1-NE 2.8Å; D207-R209 PolarHBondContact OD1-NE 2.85Å; D207-R209 IonicContact OD1-NH2 3.64Å; D207-R209 IonicContact OD2-CZ 3.43Å; D207-R209 IonicContact OD2-NE 3.23Å; D207-R209 IonicContact OD2-NH2 3.55Å; D207-R209 PolarHBondContact OD2-NH2 2.82Å; D207-E210 HydrophobicContact CB-CB 4.21Å; D207-E210 PolarHBondContact O-N 3.24Å; D207-K211 PolarHBondContact O-N 3Å; D207-A378 WeakPolarHBondContact CA-O 3.37Å; D207-W883 HydrophobicContact CB-CH2 4.07Å; D207-W883 HydrophobicContact CB-CZ2 3.7Å
208	Y	96.7	Very high	97.4	Very high	70 Å²	70	31.8 Å²	31.8	28%	0.275	14%	0.142	S	C	.	.	H	α-helix	trans	-54.2	-32.4	-174.6	76.3	-79.9	0	0	0	113.1	I206 E212 A378	I206-Y208 PolarHBondContact O-N 3.23Å; Y208-E212 WeakPolarHBondContact O-CG 3.44Å; Y208-E212 PolarHBondContact O-N 3.42Å; Y208-E212 VanDerWaalsContact O-N 3.12Å; Y208-A378 HydrophobicContact CD1-CB 4.35Å; Y208-A378 PolarHBondContact N-O 3.28Å
209	R	96.9	Very high	97.4	Very high	22 Å²	22	33 Å²	33	8%	0.083	15%	0.148	C	C	.	.	H	α-helix	trans	-72.6	-43.7	178	-62.5	163.4	-72.4	-163.7	-7	111.3	D207 K213 Y384 W883 M887 Y889 H890	D207-R209 PolarHBondContact O-N 2.82Å; D207-R209 VanDerWaalsContact OD1-CB 3.25Å; D207-R209 WeakPolarHBondContact OD1-CB 3.27Å; D207-R209 IonicContact OD1-CZ 2.76Å; D207-R209 PolarHBondContact OD1-N 3.02Å; D207-R209 IonicContact OD1-NE 2.8Å; D207-R209 PolarHBondContact OD1-NE 2.85Å; D207-R209 IonicContact OD1-NH2 3.64Å; D207-R209 IonicContact OD2-CZ 3.43Å; D207-R209 IonicContact OD2-NE 3.23Å; D207-R209 IonicContact OD2-NH2 3.55Å; D207-R209 PolarHBondContact OD2-NH2 2.82Å; R209-K213 WeakPolarHBondContact O-CB 3.45Å; R209-K213 PolarHBondContact O-N 3.17Å; R209-K213 VanDerWaalsContact O-N 3.09Å; R209-Y384 PolarHBondContact NH2-OH 3.34Å; R209-W883 HydrophobicContact CB-CH2 4.1Å; R209-W883 HydrophobicContact CB-CZ3 4.19Å; R209-M887 HydrophobicContact CB-CE 4Å; R209-M887 HydrophobicContact CB-SD 4.36Å; R209-M887 HydrophobicContact CG-CE 4.4Å; R209-Y889 PolarHBondContact NH2-OH 2.78Å; R209-H890 PolarHBondContact NH1-O 3.17Å
210	E	96.5	Very high	97.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-45.8	175.4	-173.7	179.3	-177	0	0	110	D207 E212 K213 R214 R370 W883 I885	D207-E210 HydrophobicContact CB-CB 4.21Å; D207-E210 PolarHBondContact O-N 3.24Å; E210-E212 PolarHBondContact O-N 3.32Å; E210-K213 PolarHBondContact O-N 3.37Å; E210-R214 HydrophobicContact CG-CG 4.3Å; E210-R214 WeakPolarHBondContact O-CB 3.44Å; E210-R214 WeakPolarHBondContact O-CG 3.34Å; E210-R214 PolarHBondContact O-N 3.31Å; E210-R214 IonicContact OE1-CZ 2.63Å; E210-R214 VanDerWaalsContact OE1-CZ 3.25Å; E210-R214 IonicContact OE1-NE 2.78Å; E210-R214 PolarHBondContact OE1-NE 3.42Å; E210-R214 IonicContact OE1-NH2 3.78Å; E210-R214 PolarHBondContact OE1-NH2 2.93Å; E210-R370 IonicContact OE1-NE 2.91Å; E210-R370 PolarHBondContact OE1-NE 3.5Å; E210-R370 IonicContact OE2-NH2 3.38Å; E210-W883 HydrophobicContact CB-CD2 4.15Å; E210-W883 HydrophobicContact CB-CE3 4.13Å; E210-W883 HydrophobicContact CB-CH2 4.16Å; E210-W883 HydrophobicContact CB-CZ2 4.21Å; E210-W883 HydrophobicContact CB-CZ3 4.13Å; E210-W883 HydrophobicContact CG-CD2 4.3Å; E210-W883 HydrophobicContact CG-CG 4.47Å; E210-I885 HydrophobicContact CB-CD1 4.46Å; E210-I885 HydrophobicContact CG-CD1 4.06Å
211	K	97.4	Very high	97.4	Very high	24 Å²	24	33 Å²	33	10%	0.104	15%	0.148	C	C	.	.	H	α-helix	trans	-55.5	-53.2	178.6	-164.8	161.1	-174.5	163.5	0	112.1	Q204 I206 D207 K213 R214 K215 F251 Y252 D253	Q204-K211 PolarHBondContact O-NZ 2.94Å; I206-K211 HydrophobicContact CD1-CB 3.76Å; I206-K211 HydrophobicContact CD1-CD 4.38Å; I206-K211 HydrophobicContact CD1-CG 3.93Å; I206-K211 HydrophobicContact CG1-CB 3.61Å; I206-K211 HydrophobicContact CG1-CD 4.05Å; I206-K211 HydrophobicContact CG1-CG 4Å; D207-K211 PolarHBondContact O-N 3Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 3.36Å; K211-R214 PolarHBondContact O-N 2.9Å; K211-K215 WeakPolarHBondContact O-CG 3.37Å; K211-K215 PolarHBondContact O-N 2.82Å; K211-F251 WeakPolarHBondContact CE-O 3.16Å; K211-F251 PolarHBondContact NZ-O 2.63Å; K211-Y252 WeakPolarHBondContact CE-O 3.2Å; K211-D253 PolarHBondContact NZ-O 2.93Å
212	E	97	Very high	97.3	Very high	89 Å²	89	33 Å²	33	42%	0.416	15%	0.148	S	C	.	.	H	α-helix	trans	-62.3	-42.6	179.9	-72.8	-55.5	122.1	0	0	111.2	Y208 E210 R214 K215 H216	Y208-E212 WeakPolarHBondContact O-CG 3.44Å; Y208-E212 PolarHBondContact O-N 3.42Å; Y208-E212 VanDerWaalsContact O-N 3.12Å; E210-E212 PolarHBondContact O-N 3.32Å; E212-R214 PolarHBondContact O-N 2.85Å; E212-K215 PolarHBondContact O-N 3.01Å; E212-K215 WeakPolarHBondContact OE1-CD 3.33Å; E212-K215 IonicContact OE1-NZ 2.69Å; E212-K215 PolarHBondContact OE1-NZ 3.24Å; E212-K215 VanDerWaalsContact OE1-NZ 3.08Å; E212-H216 PolarHBondContact O-N 2.84Å; E212-H216 PolarHBondContact O-ND1 2.88Å
213	K	97.5	Very high	97.1	Very high	67 Å²	67	32.9 Å²	32.9	29%	0.291	15%	0.147	S	C	.	.	H	α-helix	trans	-63.6	-42.4	177.5	-172	59.1	170.8	-176.6	0	112.2	R209 E210 K211 H216 L217 I885 P886	R209-K213 WeakPolarHBondContact O-CB 3.45Å; R209-K213 PolarHBondContact O-N 3.17Å; R209-K213 VanDerWaalsContact O-N 3.09Å; E210-K213 PolarHBondContact O-N 3.37Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 3.36Å; K213-H216 PolarHBondContact O-N 3.03Å; K213-L217 HydrophobicContact CD-CD1 4.26Å; K213-L217 HydrophobicContact CD-CG 4.39Å; K213-L217 HydrophobicContact CG-CD1 3.91Å; K213-L217 HydrophobicContact CG-CG 4.43Å; K213-L217 WeakPolarHBondContact O-CG 3.47Å; K213-L217 PolarHBondContact O-N 2.94Å; K213-I885 HydrophobicContact CB-CD1 3.84Å; K213-I885 HydrophobicContact CG-CB 4.33Å; K213-I885 HydrophobicContact CG-CD1 3.8Å; K213-I885 HydrophobicContact CG-CG1 4.48Å; K213-P886 WeakPolarHBondContact CE-O 3.46Å
214	R	97.3	Very high	96.9	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-37.3	178.2	-73.5	-177.3	178.6	-66.1	-9.4	112.8	E210 K211 E212 H216 L217 K218 E219 L220 W883 I885	E210-R214 HydrophobicContact CG-CG 4.3Å; E210-R214 WeakPolarHBondContact O-CB 3.44Å; E210-R214 WeakPolarHBondContact O-CG 3.34Å; E210-R214 PolarHBondContact O-N 3.31Å; E210-R214 IonicContact OE1-CZ 2.63Å; E210-R214 VanDerWaalsContact OE1-CZ 3.25Å; E210-R214 IonicContact OE1-NE 2.78Å; E210-R214 PolarHBondContact OE1-NE 3.42Å; E210-R214 IonicContact OE1-NH2 3.78Å; E210-R214 PolarHBondContact OE1-NH2 2.93Å; K211-R214 PolarHBondContact O-N 2.9Å; E212-R214 PolarHBondContact O-N 2.85Å; R214-H216 VanDerWaalsContact C-N 3.28Å; R214-H216 PolarHBondContact O-N 3.06Å; R214-L217 PolarHBondContact O-N 3.49Å; R214-K218 PolarHBondContact O-N 2.97Å; R214-E219 HydrophobicContact CB-CB 4.31Å; R214-E219 WeakPolarHBondContact CD-O 3.22Å; R214-E219 HydrophobicContact CG-CB 4.24Å; R214-E219 PolarHBondContact NH1-O 2.9Å; R214-E219 IonicContact NH1-OE2 2.71Å; R214-E219 PolarHBondContact O-N 3.13Å; R214-L220 HydrophobicContact CB-CD2 3.98Å; R214-W883 PolarHBondContact NH2-O 2.78Å; R214-I885 HydrophobicContact CG-CG2 4.44Å
215	K	97.7	Very high	96.6	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.074	15%	0.148	C	C	.	.	H	α-helix	trans	-55.8	-43	171.1	-77.8	175.4	175.7	179.6	0	112	K211 E212 L220 Y252 D253 S300	K211-K215 WeakPolarHBondContact O-CG 3.37Å; K211-K215 PolarHBondContact O-N 2.82Å; E212-K215 PolarHBondContact O-N 3.01Å; E212-K215 WeakPolarHBondContact OE1-CD 3.33Å; E212-K215 IonicContact OE1-NZ 2.69Å; E212-K215 PolarHBondContact OE1-NZ 3.24Å; E212-K215 VanDerWaalsContact OE1-NZ 3.08Å; K215-L220 HydrophobicContact CG-CD1 4.04Å; K215-L220 HydrophobicContact CG-CD2 4.38Å; K215-L220 HydrophobicContact CG-CG 4.49Å; K215-Y252 HydrophobicContact CD-CD2 4.47Å; K215-Y252 HydrophobicContact CD-CE2 4.13Å; K215-Y252 WeakPolarHBondContact CE-O 3.31Å; K215-Y252 HydrophobicContact CG-CD2 4.35Å; K215-Y252 HydrophobicContact CG-CE2 4.25Å; K215-Y252 PolarHBondContact NZ-O 2.96Å; K215-D253 IonicContact NZ-OD1 3.08Å; K215-D253 PolarHBondContact NZ-OD1 3.39Å; K215-S300 WeakPolarHBondContact O-CA 3.38Å; K215-S300 WeakPolarHBondContact O-CB 3.34Å; K215-S300 PolarHBondContact O-OG 3.33Å
216	H	97.4	Very high	96	Very high	149 Å²	149	31.4 Å²	31.4	69%	0.69	14%	0.143	S	C	*	.	H	α-helix	trans	-73	-33	179.1	-70.1	82.2	0	0	0	112.9	E212 K213 R214	E212-H216 PolarHBondContact O-N 2.84Å; E212-H216 PolarHBondContact O-ND1 2.88Å; K213-H216 PolarHBondContact O-N 3.03Å; R214-H216 VanDerWaalsContact C-N 3.28Å; R214-H216 PolarHBondContact O-N 3.06Å
217	L	97.5	Very high	94.9	Very high	57 Å²	57	33 Å²	33	30%	0.298	15%	0.153	S	C	.	.	H	α-helix	trans	-84.3	-9.1	-178.9	-66.3	175	0	0	0	114	K213 R214 E219 I885 P886	K213-L217 HydrophobicContact CD-CD1 4.26Å; K213-L217 HydrophobicContact CD-CG 4.39Å; K213-L217 HydrophobicContact CG-CD1 3.91Å; K213-L217 HydrophobicContact CG-CG 4.43Å; K213-L217 WeakPolarHBondContact O-CG 3.47Å; K213-L217 PolarHBondContact O-N 2.94Å; R214-L217 PolarHBondContact O-N 3.49Å; L217-E219 HydrophobicContact CB-CB 4.23Å; L217-E219 HydrophobicContact CB-CG 3.65Å; L217-I885 HydrophobicContact CD1-CB 4.3Å; L217-I885 HydrophobicContact CD1-CG2 4.1Å; L217-P886 HydrophobicContact CD1-CG 4.29Å
218	K	97.6	Very high	93.3	Very high	90 Å²	90	35 Å²	35	39%	0.391	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	40.9	-170	-55.4	178.5	170.7	-135.5	0	113.3	R214 N299 S300 F301	R214-K218 PolarHBondContact O-N 2.97Å; K218-N299 VanDerWaalsContact CE-O 3.22Å; K218-N299 WeakPolarHBondContact CE-O 3.45Å; K218-N299 WeakPolarHBondContact CG-O 3.37Å; K218-S300 WeakPolarHBondContact CA-O 3.48Å; K218-F301 WeakPolarHBondContact CD-O 3.4Å
219	E	96.7	Very high	91.3	Very high	31 Å²	31	35.7 Å²	35.7	15%	0.145	17%	0.172	C	C	.	.			trans	-121.3	32.6	-172.2	-62.4	-176.8	174.4	0	0	112.8	R214 L217 E221 I222 M250 N368	R214-E219 HydrophobicContact CB-CB 4.31Å; R214-E219 WeakPolarHBondContact CD-O 3.22Å; R214-E219 HydrophobicContact CG-CB 4.24Å; R214-E219 PolarHBondContact NH1-O 2.9Å; R214-E219 IonicContact NH1-OE2 2.71Å; R214-E219 PolarHBondContact O-N 3.13Å; L217-E219 HydrophobicContact CB-CB 4.23Å; L217-E219 HydrophobicContact CB-CG 3.65Å; E219-E221 PolarHBondContact O-N 3.42Å; E219-I222 HydrophobicContact CB-CG2 4.31Å; E219-I222 WeakPolarHBondContact O-CG2 3.33Å; E219-M250 WeakPolarHBondContact O-CE 3.36Å; E219-N368 VanDerWaalsContact CD-ND2 3.29Å; E219-N368 VanDerWaalsContact CG-ND2 3.35Å; E219-N368 WeakPolarHBondContact CG-ND2 3.32Å; E219-N368 PolarHBondContact OE1-ND2 3.23Å
220	L	97.9	Very high	88.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-75.4	-8.2	169.1	-68.4	179.4	0	0	0	112.7	R214 K215 M250 Y252 F301	R214-L220 HydrophobicContact CB-CD2 3.98Å; K215-L220 HydrophobicContact CG-CD1 4.04Å; K215-L220 HydrophobicContact CG-CD2 4.38Å; K215-L220 HydrophobicContact CG-CG 4.49Å; L220-M250 HydrophobicContact CB-CB 4.42Å; L220-M250 HydrophobicContact CD2-CB 3.99Å; L220-M250 PolarHBondContact O-N 3.1Å; L220-Y252 HydrophobicContact CD1-CD2 4.17Å; L220-F301 HydrophobicContact CB-CD1 4.23Å; L220-F301 HydrophobicContact CB-CE1 3.73Å; L220-F301 HydrophobicContact CB-CZ 4.21Å; L220-F301 HydrophobicContact CD1-CE1 4.09Å; L220-F301 HydrophobicContact CD1-CE2 4.11Å; L220-F301 HydrophobicContact CD1-CZ 3.69Å
221	E	98	Very high	85.8	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.028	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.3	177.1	-62.4	176.8	122.7	0	0	108.5	E219 F247 F301 Y353 V357 F361	E219-E221 PolarHBondContact O-N 3.42Å; E221-F247 HydrophobicContact CB-CE2 3.93Å; E221-F247 HydrophobicContact CB-CZ 3.86Å; E221-F247 HydrophobicContact CG-CZ 4.04Å; E221-F301 HydrophobicContact CG-CD1 3.83Å; E221-F301 HydrophobicContact CG-CE1 4.12Å; E221-Y353 WeakPolarHBondContact OE1-CE1 3.2Å; E221-Y353 VanDerWaalsContact OE1-CZ 3.28Å; E221-Y353 PolarHBondContact OE1-OH 3.39Å; E221-V357 WeakPolarHBondContact OE1-CG1 3.48Å; E221-F361 HydrophobicContact CB-CE2 4.07Å; E221-F361 HydrophobicContact CB-CZ 3.98Å
222	I	96	Very high	82.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	165.1	-174.5	60.8	84.3	0	0	0	111.4	E219 W224 T248 M250 N368 R370	E219-I222 HydrophobicContact CB-CG2 4.31Å; E219-I222 WeakPolarHBondContact O-CG2 3.33Å; I222-W224 HydrophobicContact CD1-CB 3.78Å; I222-T248 HydrophobicContact CD1-CG2 4.4Å; I222-T248 PolarHBondContact N-O 3.36Å; I222-T248 VanDerWaalsContact N-O 3.13Å; I222-T248 PolarHBondContact O-N 2.99Å; I222-M250 HydrophobicContact CG1-CE 3.68Å; I222-M250 HydrophobicContact CG2-CE 4.45Å; I222-N368 WeakPolarHBondContact CA-O 3.4Å; I222-N368 WeakPolarHBondContact CB-O 3.16Å; I222-N368 HydrophobicContact CG2-CB 4.25Å; I222-R370 HydrophobicContact CD1-CB 3.52Å; I222-R370 HydrophobicContact CG1-CB 4.15Å
223	L	94.2	Very high	79.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111	168.7	-167.7	56.2	0	0	0	108.5	I367 N368 H369 R370 W1108 E1111	L223-I367 HydrophobicContact CB-CD1 4.26Å; L223-I367 HydrophobicContact CB-CG1 4.34Å; L223-I367 HydrophobicContact CB-CG2 4.01Å; L223-I367 HydrophobicContact CD2-CG2 4.06Å; L223-N368 PolarHBondContact N-O 3.39Å; L223-H369 VanDerWaalsContact O-CA 3.27Å; L223-H369 WeakPolarHBondContact O-CA 3.49Å; L223-R370 PolarHBondContact O-N 2.96Å; L223-R370 VanDerWaalsContact O-N 3.09Å; L223-W1108 HydrophobicContact CD1-CB 4.35Å; L223-W1108 HydrophobicContact CD1-CG 4.16Å; L223-W1108 HydrophobicContact CD2-CB 4.11Å; L223-E1111 HydrophobicContact CD2-CG 3.82Å
224	W	94.1	Very high	76	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.7	-177.8	-172.9	3.4	0	0	0	110	H185 R187 S190 V201 F203 I222 T226 G245 L246 T248 R370 G372 F374	H185-W224 HydrophobicContact CB-CH2 3.79Å; H185-W224 HydrophobicContact CB-CZ3 4.11Å; R187-W224 HydrophobicContact CB-CZ2 4.41Å; S190-W224 WeakPolarHBondContact OG-CH2 3.14Å; S190-W224 WeakPolarHBondContact OG-CZ3 3.42Å; V201-W224 HydrophobicContact CG1-CE3 4.42Å; F203-W224 HydrophobicContact CE1-CE3 4.22Å; F203-W224 AromaticContact CE1-CZ3 3.88Å; F203-W224 HydrophobicContact CE1-CZ3 3.88Å; F203-W224 HydrophobicContact CZ-CZ3 4.38Å; I222-W224 HydrophobicContact CD1-CB 3.78Å; W224-T226 HydrophobicContact CG-CG2 4.44Å; W224-T226 PolarHBondContact O-N 3.02Å; W224-G245 CarbonylContact O-C 3.58Å; W224-G245 VanDerWaalsContact O-CA 3.28Å; W224-G245 WeakPolarHBondContact O-CA 3.35Å; W224-L246 WeakPolarHBondContact CB-O 3.33Å; W224-L246 PolarHBondContact N-O 2.88Å; W224-L246 PolarHBondContact O-N 2.99Å; W224-T248 VanDerWaalsContact CB-OG1 3.28Å; W224-T248 WeakPolarHBondContact CB-OG1 3.34Å; W224-T248 HydrophobicContact CE3-CG2 4.33Å; W224-R370 VanDerWaalsContact CD1-O 3.3Å; W224-G372 WeakPolarHBondContact CZ2-O 3.14Å; W224-G372 PolarHBondContact NE1-O 2.87Å; W224-F374 AromaticContact CD2-CE2 3.93Å; W224-F374 HydrophobicContact CD2-CE2 3.93Å; W224-F374 AromaticContact CE2-CE2 3.85Å; W224-F374 AromaticContact CE3-CE2 3.85Å; W224-F374 HydrophobicContact CE3-CE2 3.85Å; W224-F374 AromaticContact CH2-CD2 3.64Å; W224-F374 HydrophobicContact CH2-CD2 3.64Å; W224-F374 AromaticContact CH2-CE2 3.72Å; W224-F374 HydrophobicContact CH2-CE2 3.72Å; W224-F374 AromaticContact CZ2-CD2 3.77Å; W224-F374 HydrophobicContact CZ2-CD2 3.77Å; W224-F374 AromaticContact CZ2-CE2 3.79Å; W224-F374 HydrophobicContact CZ2-CE2 3.79Å; W224-F374 HydrophobicContact CZ3-CD2 4.05Å; W224-F374 AromaticContact CZ3-CE2 3.73Å; W224-F374 HydrophobicContact CZ3-CE2 3.73Å
225	D	90.1	Very high	72.8	Confident	26 Å²	26	54.7 Å²	54.7	14%	0.139	31%	0.309	C	S	.	.			trans	-74.6	108.8	171.8	-177.7	8.8	0	0	0	110.4	T227 R370	D225-T227 VanDerWaalsContact OD1-CB 3.24Å; D225-T227 WeakPolarHBondContact OD1-CB 3.17Å; D225-T227 WeakPolarHBondContact OD1-CG2 3.38Å; D225-T227 PolarHBondContact OD1-N 3.36Å; D225-T227 PolarHBondContact OD1-OG1 3.06Å; D225-T227 PolarHBondContact OD2-OG1 3.46Å; D225-R370 PolarHBondContact N-O 3.09Å
226	T	85.5	Confident	69.8	Low	1 Å²	1	60.9 Å²	60.9	1%	0.006	34%	0.343	C	S	.	.			trans	-97.8	4.8	176.1	74.5	0	0	0	0	112.7	N191 Q194 W224	N191-T226 PolarHBondContact ND2-OG1 2.55Å; Q194-T226 PolarHBondContact NE2-OG1 3.08Å; W224-T226 HydrophobicContact CG-CG2 4.44Å; W224-T226 PolarHBondContact O-N 3.02Å
227	T	74.5	Confident	66.7	Low	37 Å²	37	58.6 Å²	58.6	23%	0.227	34%	0.339	C	S	.	.			trans	-72.2	150.7	-177.9	69.7	0	0	0	0	111.9	D225 F243	D225-T227 VanDerWaalsContact OD1-CB 3.24Å; D225-T227 WeakPolarHBondContact OD1-CB 3.17Å; D225-T227 WeakPolarHBondContact OD1-CG2 3.38Å; D225-T227 PolarHBondContact OD1-N 3.36Å; D225-T227 PolarHBondContact OD1-OG1 3.06Å; D225-T227 PolarHBondContact OD2-OG1 3.46Å; T227-F243 HydrophobicContact CG2-CB 3.99Å; T227-F243 HydrophobicContact CG2-CD1 3.78Å; T227-F243 HydrophobicContact CG2-CG 4.08Å
228	Y	63.3	Low	63.7	Low	46 Å²	46	62.2 Å²	62.2	18%	0.18	36%	0.364	C	S	.	.			trans	-93.4	102	175.9	-174.7	-106.8	0	0	0	109.2	T230 L872	Y228-T230 HydrophobicContact CD1-CG2 3.85Å; Y228-T230 HydrophobicContact CE1-CG2 3.43Å; Y228-T230 VanDerWaalsContact CE1-CG2 3.43Å; Y228-T230 PolarHBondContact O-N 2.92Å; Y228-L872 WeakPolarHBondContact CE2-O 3.47Å
229	T	53.8	Low	60.7	Low	85 Å²	85	64.1 Å²	64.1	52%	0.521	38%	0.379	S	S	.	.			trans	-81.6	108.4	173.1	38.9	0	0	0	0	110.1	T231	T229-T231 PolarHBondContact O-N 3.32Å
230	T	43.1	Very low	57.9	Low	30 Å²	30	69.3 Å²	69.3	18%	0.184	41%	0.408	C	S	.	.			trans	-73	110.9	166.4	46.8	0	0	0	0	108	Y228 T232 D1066	Y228-T230 HydrophobicContact CD1-CG2 3.85Å; Y228-T230 HydrophobicContact CE1-CG2 3.43Å; Y228-T230 VanDerWaalsContact CE1-CG2 3.43Å; Y228-T230 PolarHBondContact O-N 2.92Å; T230-T232 PolarHBondContact O-N 2.9Å; T230-D1066 PolarHBondContact OG1-OD1 2.84Å
231	T	35.1	Very low	55.4	Low	131 Å²	131	74.2 Å²	74.2	80%	0.804	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	52.2	179.9	31.7	0	0	0	0	112.4	T229	T229-T231 PolarHBondContact O-N 3.32Å
232	T	31.5	Very low	53.1	Low	98 Å²	98	79.1 Å²	79.1	60%	0.601	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	3.4	176.3	35.3	0	0	0	0	115.4	T230 T234	T230-T232 PolarHBondContact O-N 2.9Å; T232-T234 VanDerWaalsContact C-N 3.35Å; T232-T234 PolarHBondContact O-N 2.82Å; T232-T234 VanDerWaalsContact O-N 3.14Å
233	T	28.4	Very low	51.7	Low	123 Å²	123	82.6 Å²	82.6	76%	0.755	47%	0.47	S	S	*	.			trans	-82.3	85.6	160.2	22.8	0	0	0	0	109.9
234	T	26.8	Very low	50.9	Low	123 Å²	123	86.3 Å²	86.3	76%	0.755	49%	0.485	S	S	*	.			trans	-59.1	133.8	150.3	40.2	0	0	0	0	108.8	T232	T232-T234 VanDerWaalsContact C-N 3.35Å; T232-T234 PolarHBondContact O-N 2.82Å; T232-T234 VanDerWaalsContact O-N 3.14Å
235	S	30.3	Very low	50.6	Low	99 Å²	99	86.4 Å²	86.4	69%	0.692	49%	0.486	S	S	*	.	S	Bend	trans	73.8	117.7	162.1	66.7	0	0	0	0	119.8
236	N	33.3	Very low	50.8	Low	146 Å²	146	85.2 Å²	85.2	78%	0.781	48%	0.479	S	S	*	.			trans	72.9	37.9	139.9	-62.1	-7.1	0	0	0	120.4
237	T	32.4	Very low	51.4	Low	101 Å²	101	85.2 Å²	85.2	62%	0.62	48%	0.479	S	S	*	.			trans	-87.9	95.4	145.8	47.8	0	0	0	0	108.3	D239	T237-D239 PolarHBondContact O-N 3.09Å
238	T	34.8	Very low	52.5	Low	133 Å²	133	83.4 Å²	83.4	82%	0.816	47%	0.468	S	S	*	.			trans	-78.9	15.2	170.1	46.6	0	0	0	0	112.6
239	D	34.3	Very low	54.2	Low	130 Å²	130	81.5 Å²	81.5	70%	0.695	46%	0.462	S	S	*	.	S	Bend	trans	-88.5	122.1	165.2	-85.3	-34.3	0	0	0	108.4	T237 D241	T237-D239 PolarHBondContact O-N 3.09Å; D239-D241 PolarHBondContact O-N 2.85Å
240	N	38.3	Very low	56.3	Low	141 Å²	141	77.5 Å²	77.5	75%	0.754	44%	0.438	S	S	*	.			trans	-43.1	98.4	162.7	-57.6	-69.3	0	0	0	109.1	K242	N240-K242 WeakPolarHBondContact O-CG 3.38Å; N240-K242 PolarHBondContact O-N 3.49Å
241	D	45.5	Very low	58.9	Low	103 Å²	103	76.7 Å²	76.7	55%	0.551	43%	0.432	S	S	*	.			trans	-62.1	86.3	177.3	-75	-35.7	0	0	0	108.8	D239 F243	D239-D241 PolarHBondContact O-N 2.85Å; D241-F243 HydrophobicContact CB-CD2 4.04Å; D241-F243 HydrophobicContact CB-CE1 4.14Å; D241-F243 HydrophobicContact CB-CE2 3.28Å; D241-F243 HydrophobicContact CB-CZ 3.35Å; D241-F243 WeakPolarHBondContact O-CD2 3.35Å; D241-F243 WeakPolarHBondContact O-CE2 3.32Å; D241-F243 PolarHBondContact O-N 3.39Å; D241-F243 VanDerWaalsContact O-N 3.09Å
242	K	49.9	Very low	61.8	Low	109 Å²	109	73.2 Å²	73.2	47%	0.474	40%	0.404	S	S	.	.			trans	-74.9	101.8	175.7	-62.7	-173.9	173.4	-173.3	0	106.3	N240 T1110 P1112	N240-K242 WeakPolarHBondContact O-CG 3.38Å; N240-K242 PolarHBondContact O-N 3.49Å; K242-T1110 WeakPolarHBondContact CB-O 3.29Å; K242-T1110 WeakPolarHBondContact CD-O 3.49Å; K242-T1110 VanDerWaalsContact CG-O 3.26Å; K242-T1110 WeakPolarHBondContact CG-O 3.43Å; K242-P1112 HydrophobicContact CB-CB 3.86Å; K242-P1112 HydrophobicContact CB-CG 4.1Å; K242-P1112 HydrophobicContact CD-CB 4.39Å; K242-P1112 WeakPolarHBondContact O-CD 3.32Å; K242-P1112 VanDerWaalsContact O-CG 3.29Å; K242-P1112 WeakPolarHBondContact O-CG 3.24Å
243	F	65.5	Low	64.7	Low	73 Å²	73	72.2 Å²	72.2	32%	0.32	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-89.4	153.2	173.3	-58.4	-73.4	0	0	0	110.6	T227 D241	T227-F243 HydrophobicContact CG2-CB 3.99Å; T227-F243 HydrophobicContact CG2-CD1 3.78Å; T227-F243 HydrophobicContact CG2-CG 4.08Å; D241-F243 HydrophobicContact CB-CD2 4.04Å; D241-F243 HydrophobicContact CB-CE1 4.14Å; D241-F243 HydrophobicContact CB-CE2 3.28Å; D241-F243 HydrophobicContact CB-CZ 3.35Å; D241-F243 WeakPolarHBondContact O-CD2 3.35Å; D241-F243 WeakPolarHBondContact O-CE2 3.32Å; D241-F243 PolarHBondContact O-N 3.39Å; D241-F243 VanDerWaalsContact O-N 3.09Å
244	Y	78.3	Confident	67.9	Low	78 Å²	78	69 Å²	69	31%	0.306	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-77.9	121.5	164.9	-65.7	-81.6	0	0	0	108.1	Q194 P1112	Q194-Y244 PolarHBondContact OE1-O 2.89Å; Y244-P1112 HydrophobicContact CD1-CG 4.49Å; Y244-P1112 HydrophobicContact CD2-CG 4.22Å; Y244-P1112 HydrophobicContact CE1-CG 4.09Å; Y244-P1112 HydrophobicContact CE2-CG 3.78Å
245	G	88	Confident	71.2	Confident	2 Å²	2	63.9 Å²	63.9	2%	0.021	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-103.5	171.7	174	0	0	0	0	0	112	W224 R1105 E1111	W224-G245 CarbonylContact O-C 3.58Å; W224-G245 VanDerWaalsContact O-CA 3.28Å; W224-G245 WeakPolarHBondContact O-CA 3.35Å; G245-R1105 PolarHBondContact O-NH2 2.92Å; G245-E1111 PolarHBondContact N-OE1 3.24Å; G245-E1111 VanDerWaalsContact N-OE1 3.07Å
246	L	94.9	Very high	74.4	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.2	169.1	-176.2	59.8	0	0	0	108.6	F193 Q194 Y198 V201 W224 T248	F193-L246 HydrophobicContact CB-CD2 3.97Å; F193-L246 HydrophobicContact CD2-CD2 4.27Å; Q194-L246 HydrophobicContact CG-CB 3.92Å; Q194-L246 HydrophobicContact CG-CD1 4.23Å; Q194-L246 HydrophobicContact CG-CD2 4.46Å; Q194-L246 HydrophobicContact CG-CG 4.44Å; Y198-L246 WeakPolarHBondContact O-CD1 3.28Å; V201-L246 HydrophobicContact CB-CD2 3.85Å; V201-L246 HydrophobicContact CB-CG 4.36Å; V201-L246 HydrophobicContact CG1-CD2 3.61Å; V201-L246 HydrophobicContact CG1-CG 3.96Å; W224-L246 WeakPolarHBondContact CB-O 3.33Å; W224-L246 PolarHBondContact N-O 2.88Å; W224-L246 PolarHBondContact O-N 2.99Å; L246-T248 PolarHBondContact O-N 3.24Å; L246-T248 PolarHBondContact O-OG1 3.03Å
247	F	97.7	Very high	77.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	130.1	174.7	176.7	-97.8	0	0	0	109.6	A200 V201 Y202 E221 T354 V357 F361 I367 W1108	A200-F247 CarbonylContact C-O 3.51Å; A200-F247 WeakPolarHBondContact CA-O 3.48Å; A200-F247 HydrophobicContact CB-CB 4.21Å; A200-F247 HydrophobicContact CB-CD1 3.72Å; A200-F247 HydrophobicContact CB-CG 4.46Å; V201-F247 PolarHBondContact N-O 2.85Å; Y202-F247 HydrophobicContact CE1-CE1 4.29Å; E221-F247 HydrophobicContact CB-CE2 3.93Å; E221-F247 HydrophobicContact CB-CZ 3.86Å; E221-F247 HydrophobicContact CG-CZ 4.04Å; F247-T354 HydrophobicContact CD1-CG2 4.38Å; F247-V357 HydrophobicContact CE1-CG2 3.87Å; F247-V357 HydrophobicContact CE2-CG2 4.16Å; F247-V357 HydrophobicContact CZ-CB 4.48Å; F247-V357 HydrophobicContact CZ-CG2 3.55Å; F247-F361 HydrophobicContact CE2-CD2 4.32Å; F247-F361 AromaticContact CE2-CE2 3.93Å; F247-F361 HydrophobicContact CE2-CE2 3.93Å; F247-I367 HydrophobicContact CD2-CD1 3.82Å; F247-I367 HydrophobicContact CE2-CD1 4.01Å; F247-W1108 HydrophobicContact CB-CD2 4.15Å; F247-W1108 VanDerWaalsContact CB-CE2 3.43Å; F247-W1108 HydrophobicContact CB-CH2 3.69Å; F247-W1108 HydrophobicContact CB-CZ2 3.2Å; F247-W1108 HydrophobicContact CB-CZ3 4.34Å; F247-W1108 AromaticContact CD1-CH2 3.8Å; F247-W1108 HydrophobicContact CD1-CH2 3.8Å; F247-W1108 HydrophobicContact CD1-CZ2 4Å; F247-W1108 HydrophobicContact CD2-CD2 4.29Å; F247-W1108 AromaticContact CD2-CE3 3.86Å; F247-W1108 HydrophobicContact CD2-CE3 3.86Å; F247-W1108 AromaticContact CD2-CH2 3.24Å; F247-W1108 HydrophobicContact CD2-CH2 3.24Å; F247-W1108 AromaticContact CD2-CZ2 3.74Å; F247-W1108 HydrophobicContact CD2-CZ2 3.74Å; F247-W1108 AromaticContact CD2-CZ3 3.3Å; F247-W1108 HydrophobicContact CD2-CZ3 3.3Å; F247-W1108 HydrophobicContact CE1-CH2 4.24Å; F247-W1108 HydrophobicContact CE2-CE3 4.5Å; F247-W1108 AromaticContact CE2-CH2 3.73Å; F247-W1108 HydrophobicContact CE2-CH2 3.73Å; F247-W1108 AromaticContact CE2-CZ3 3.66Å; F247-W1108 HydrophobicContact CE2-CZ3 3.66Å; F247-W1108 AromaticContact CG-CE2 3.99Å; F247-W1108 HydrophobicContact CG-CE3 4.45Å; F247-W1108 AromaticContact CG-CH2 3.27Å; F247-W1108 HydrophobicContact CG-CH2 3.27Å; F247-W1108 AromaticContact CG-CZ2 3.36Å; F247-W1108 HydrophobicContact CG-CZ2 3.36Å; F247-W1108 AromaticContact CG-CZ3 3.86Å; F247-W1108 HydrophobicContact CG-CZ3 3.86Å; F247-W1108 HydrophobicContact CZ-CH2 4.21Å; F247-W1108 HydrophobicContact CZ-CZ3 4.47Å
248	T	98.3	Very high	80.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	115.5	-171	-63.8	0	0	0	0	109	V201 F203 I222 W224 L246	V201-T248 HydrophobicContact CG1-CG2 4.11Å; V201-T248 WeakPolarHBondContact CG1-OG1 3.25Å; V201-T248 WeakPolarHBondContact O-CA 3.44Å; F203-T248 HydrophobicContact CD1-CG2 4.28Å; F203-T248 HydrophobicContact CE1-CG2 3.26Å; F203-T248 HydrophobicContact CE2-CG2 4.23Å; F203-T248 HydrophobicContact CZ-CG2 3.22Å; I222-T248 HydrophobicContact CD1-CG2 4.4Å; I222-T248 PolarHBondContact N-O 3.36Å; I222-T248 VanDerWaalsContact N-O 3.13Å; I222-T248 PolarHBondContact O-N 2.99Å; W224-T248 VanDerWaalsContact CB-OG1 3.28Å; W224-T248 WeakPolarHBondContact CB-OG1 3.34Å; W224-T248 HydrophobicContact CE3-CG2 4.33Å; L246-T248 PolarHBondContact O-N 3.24Å; L246-T248 PolarHBondContact O-OG1 3.03Å
249	G	98.2	Very high	83.2	Confident	5 Å²	5	46.8 Å²	46.8	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.1	174.9	0	0	0	0	0	111	V201 Y202 F203	V201-G249 PolarHBondContact O-N 3.2Å; Y202-G249 WeakPolarHBondContact CA-O 3.34Å; F203-G249 PolarHBondContact N-O 3.32Å; F203-G249 VanDerWaalsContact N-O 3.16Å
250	M	98	Very high	85.9	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124	173.2	-71.6	164.5	-79.9	0	0	109.5	F203 I206 E219 L220 I222 F374	F203-M250 HydrophobicContact CD2-CG 4.12Å; F203-M250 HydrophobicContact CE2-CG 3.46Å; F203-M250 VanDerWaalsContact CE2-CG 3.46Å; F203-M250 HydrophobicContact CE2-SD 4.32Å; F203-M250 HydrophobicContact CZ-CG 4.06Å; F203-M250 WeakPolarHBondContact O-CA 3.27Å; I206-M250 HydrophobicContact CD1-CB 4.26Å; I206-M250 HydrophobicContact CD1-CG 4.04Å; I206-M250 HydrophobicContact CD1-SD 3.42Å; I206-M250 WeakPolarHBondContact CD1-SD 3.32Å; I206-M250 HydrophobicContact CG2-CG 4.14Å; I206-M250 HydrophobicContact CG2-SD 4.07Å; E219-M250 WeakPolarHBondContact O-CE 3.36Å; L220-M250 HydrophobicContact CB-CB 4.42Å; L220-M250 HydrophobicContact CD2-CB 3.99Å; L220-M250 PolarHBondContact O-N 3.1Å; I222-M250 HydrophobicContact CG1-CE 3.68Å; I222-M250 HydrophobicContact CG2-CE 4.45Å; M250-F374 HydrophobicContact SD-CE1 3.99Å; M250-F374 HydrophobicContact SD-CZ 4.26Å
251	F	97.9	Very high	88.7	Confident	12 Å²	12	37.7 Å²	37.7	5%	0.053	19%	0.191	C	C	.	.			trans	-64.4	144	179.1	-61.4	-22.8	0	0	0	112	W178 I180 Y202 F203 Q204 K211 D253 M307 L309	W178-F251 HydrophobicContact CH2-CE1 4.24Å; W178-F251 AromaticContact CH2-CZ 3.61Å; W178-F251 HydrophobicContact CH2-CZ 3.61Å; W178-F251 AromaticContact CZ2-CZ 3.96Å; W178-F251 HydrophobicContact CZ2-CZ 3.96Å; W178-F251 HydrophobicContact CZ3-CE1 4.42Å; W178-F251 AromaticContact CZ3-CZ 4Å; W178-F251 HydrophobicContact CZ3-CZ 4Å; I180-F251 HydrophobicContact CB-CE2 3.92Å; I180-F251 HydrophobicContact CG2-CE2 3.31Å; I180-F251 HydrophobicContact CG2-CZ 3.49Å; I180-F251 VanDerWaalsContact CG2-CZ 3.49Å; Y202-F251 HydrophobicContact CD1-CE1 4.13Å; Y202-F251 HydrophobicContact CG-CE1 4.36Å; F203-F251 PolarHBondContact O-N 3.43Å; Q204-F251 HydrophobicContact CB-CD2 4Å; K211-F251 WeakPolarHBondContact CE-O 3.16Å; K211-F251 PolarHBondContact NZ-O 2.63Å; F251-D253 PolarHBondContact O-N 3.4Å; F251-M307 HydrophobicContact CD1-SD 4.49Å; F251-M307 HydrophobicContact CE1-SD 3.83Å; F251-L309 HydrophobicContact CD1-CD1 3.91Å; F251-L309 HydrophobicContact CD2-CD1 3.48Å; F251-L309 VanDerWaalsContact CD2-CD1 3.48Å; F251-L309 HydrophobicContact CE1-CD1 3.88Å; F251-L309 HydrophobicContact CE1-CD2 4.22Å; F251-L309 HydrophobicContact CE2-CD1 3.43Å; F251-L309 VanDerWaalsContact CE2-CD1 3.43Å; F251-L309 HydrophobicContact CG-CD1 3.73Å; F251-L309 HydrophobicContact CZ-CD1 3.66Å; F251-L309 HydrophobicContact CZ-CD2 4.08Å
252	Y	96.3	Very high	91	Very high	59 Å²	59	34.4 Å²	34.4	23%	0.231	17%	0.173	C	C	.	.	S	Bend	trans	-56.5	-49.9	-179.9	-179.8	-95.2	0	0	0	111.3	K211 K215 L220 L297 F301	K211-Y252 WeakPolarHBondContact CE-O 3.2Å; K215-Y252 HydrophobicContact CD-CD2 4.47Å; K215-Y252 HydrophobicContact CD-CE2 4.13Å; K215-Y252 WeakPolarHBondContact CE-O 3.31Å; K215-Y252 HydrophobicContact CG-CD2 4.35Å; K215-Y252 HydrophobicContact CG-CE2 4.25Å; K215-Y252 PolarHBondContact NZ-O 2.96Å; L220-Y252 HydrophobicContact CD1-CD2 4.17Å; Y252-L297 HydrophobicContact CD1-CD1 4.19Å; Y252-L297 HydrophobicContact CD1-CG 4.13Å; Y252-L297 HydrophobicContact CD2-CG 4.36Å; Y252-L297 HydrophobicContact CE1-CD1 4.17Å; Y252-L297 HydrophobicContact CE1-CG 4.48Å; Y252-L297 HydrophobicContact CG-CG 4.09Å; Y252-F301 HydrophobicContact CD2-CE2 4.38Å
253	D	92.1	Very high	93.2	Very high	76 Å²	76	29.4 Å²	29.4	41%	0.406	15%	0.151	S	C	.	.	S	Bend	trans	-131.4	-82.7	178.5	-72.1	-30.4	0	0	0	112	Q204 K211 K215 F251	Q204-D253 WeakPolarHBondContact CG-O 3.35Å; K211-D253 PolarHBondContact NZ-O 2.93Å; K215-D253 IonicContact NZ-OD1 3.08Å; K215-D253 PolarHBondContact NZ-OD1 3.39Å; F251-D253 PolarHBondContact O-N 3.4Å
254	T	94.9	Very high	94.6	Very high	57 Å²	57	26 Å²	26	35%	0.35	14%	0.136	S	C	.	.			trans	-118.1	163.7	-177.4	178.2	0	0	0	0	111.6	Q204 C256	Q204-T254 VanDerWaalsContact OE1-C 3.28Å; Q204-T254 PolarHBondContact OE1-OG1 3.3Å; T254-C256 HydrophobicContact CG2-CB 3.96Å; T254-C256 PolarHBondContact OG1-N 3.22Å; T254-C256 VanDerWaalsContact OG1-N 3.14Å
255	Y	97	Very high	95.1	Very high	14 Å²	14	23.4 Å²	23.4	6%	0.055	13%	0.131	C	C	.	.	S	Bend	trans	-75.3	-12.4	167.4	64.5	-104.5	0	0	0	112.7	H55 H57 I180 D181 D313	H55-Y255 PolarHBondContact CE1-O 3.45Å; H55-Y255 PolarHBondContact NE2-O 3.06Å; H57-Y255 HydrophobicContact CB-CE2 4.18Å; H57-Y255 AromaticContact CD2-CZ 3.95Å; I180-Y255 HydrophobicContact CB-CD1 4.34Å; I180-Y255 HydrophobicContact CB-CG 4.33Å; I180-Y255 HydrophobicContact CD1-CD1 4.34Å; I180-Y255 HydrophobicContact CD1-CD2 3.91Å; I180-Y255 HydrophobicContact CD1-CG 3.78Å; I180-Y255 HydrophobicContact CG1-CG 4.39Å; D181-Y255 HydrophobicContact CB-CD1 4.5Å; D181-Y255 HydrophobicContact CB-CE1 3.95Å; D181-Y255 WeakPolarHBondContact OD1-CE1 3.39Å; Y255-D313 WeakPolarHBondContact CE2-OD1 3.46Å; Y255-D313 VanDerWaalsContact CZ-OD1 3.26Å; Y255-D313 PolarHBondContact OH-OD1 3.28Å; Y255-D313 PolarHBondContact OH-OD2 3Å
256	C	97.3	Very high	95	Very high	24 Å²	24	26.4 Å²	26.4	16%	0.162	15%	0.151	C	C	.	.	S	Bend	trans	-79.3	170.6	178.6	-64.4	0	0	0	0	113.7	T254 G311 C312	T254-C256 HydrophobicContact CG2-CB 3.96Å; T254-C256 PolarHBondContact OG1-N 3.22Å; T254-C256 VanDerWaalsContact OG1-N 3.14Å; C256-G311 CarbonylContact C-O 3.59Å; C256-G311 VanDerWaalsContact C-O 3.23Å; C256-G311 WeakPolarHBondContact CA-O 3.43Å; C256-C312 HydrophobicContact CB-CB 3.66Å; C256-C312 WeakPolarHBondContact CB-SG 3.46Å; C256-C312 WeakPolarHBondContact SG-CB 3.28Å; C256-C312 CovalentContact SG-SG 2.04Å; C256-C312 PolarHBondContact SG-SG 2.97Å
257	Y	96.5	Very high	94.6	Very high	11 Å²	11	31.1 Å²	31.1	4%	0.043	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-48.6	146.3	175.4	-63	-82.6	0	0	0	113.1	F261 E262 D264 M310 G311 C312 T315 Y316 N322	Y257-F261 WeakPolarHBondContact CD1-O 3.44Å; Y257-E262 HydrophobicContact CD2-CB 4.39Å; Y257-E262 HydrophobicContact CG-CB 4.38Å; Y257-E262 HydrophobicContact CG-CG 4.44Å; Y257-D264 HydrophobicContact CE2-CB 4.25Å; Y257-M310 HydrophobicContact CD1-CB 4.47Å; Y257-M310 HydrophobicContact CD1-CE 3.99Å; Y257-M310 HydrophobicContact CD1-SD 4.41Å; Y257-M310 HydrophobicContact CE1-CB 4.24Å; Y257-M310 HydrophobicContact CE1-CE 4.24Å; Y257-G311 VanDerWaalsContact CD2-O 3.32Å; Y257-G311 WeakPolarHBondContact CD2-O 3.37Å; Y257-G311 VanDerWaalsContact CE1-N 3.31Å; Y257-G311 PolarHBondContact N-O 3.14Å; Y257-C312 HydrophobicContact CD2-CB 4.12Å; Y257-C312 HydrophobicContact CE2-CB 4.16Å; Y257-T315 HydrophobicContact CE2-CG2 3.74Å; Y257-Y316 VanDerWaalsContact OH-CE2 3.32Å; Y257-Y316 WeakPolarHBondContact OH-CE2 3.34Å; Y257-N322 PolarHBondContact OH-ND2 2.76Å
258	P	95.9	Very high	93.8	Very high	4 Å²	4	35 Å²	35	3%	0.026	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-58.4	143.7	164.9	-25.4	34.8	0	0	0	111.6	N260 F261 Y293 V308 L309	P258-N260 PolarHBondContact O-N 3.04Å; P258-F261 HydrophobicContact CB-CB 4.27Å; P258-F261 HydrophobicContact CB-CD2 3.83Å; P258-F261 HydrophobicContact CB-CG 4.46Å; P258-F261 PolarHBondContact O-N 3Å; P258-Y293 HydrophobicContact CB-CD1 4.32Å; P258-Y293 HydrophobicContact CB-CE1 3.67Å; P258-Y293 HydrophobicContact CB-CE2 4.05Å; P258-Y293 HydrophobicContact CG-CE1 3.7Å; P258-V308 HydrophobicContact CG-CG1 3.59Å; P258-L309 VanDerWaalsContact CD-O 3.25Å; P258-L309 WeakPolarHBondContact CD-O 3.42Å
259	P	91.8	Very high	93.2	Very high	81 Å²	81	42 Å²	42	53%	0.526	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	135	175.3	-25.3	33.5	0	0	0	112.4	F261 E262	P259-F261 VanDerWaalsContact C-N 3.3Å; P259-F261 WeakPolarHBondContact O-CD2 3.39Å; P259-E262 WeakPolarHBondContact CA-OE1 3.45Å
260	N	92.1	Very high	92.8	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	5.3	-174	-46.3	-106.3	0	0	0	115.6	P258 E262 K289	P258-N260 PolarHBondContact O-N 3.04Å; N260-E262 WeakPolarHBondContact CA-OE2 3.39Å; N260-E262 PolarHBondContact N-OE1 2.82Å; N260-E262 PolarHBondContact N-OE2 3.14Å; N260-K289 PolarHBondContact OD1-NZ 3.49Å
261	F	95.9	Very high	92.5	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	26%	0.255	C	S	.	.			trans	-127.2	24.5	-179.9	-55.1	-80.9	0	0	0	112	Y257 P258 P259 F263 V286 K289 F290	Y257-F261 WeakPolarHBondContact CD1-O 3.44Å; P258-F261 HydrophobicContact CB-CB 4.27Å; P258-F261 HydrophobicContact CB-CD2 3.83Å; P258-F261 HydrophobicContact CB-CG 4.46Å; P258-F261 PolarHBondContact O-N 3Å; P259-F261 VanDerWaalsContact C-N 3.3Å; P259-F261 WeakPolarHBondContact O-CD2 3.39Å; F261-F263 VanDerWaalsContact C-N 3.34Å; F261-F263 HydrophobicContact CB-CE1 4.46Å; F261-F263 HydrophobicContact CB-CZ 4.25Å; F261-F263 HydrophobicContact CD1-CE1 4.48Å; F261-F263 AromaticContact CD1-CZ 3.97Å; F261-F263 HydrophobicContact CD1-CZ 3.97Å; F261-F263 PolarHBondContact O-N 3.32Å; F261-V286 HydrophobicContact CE1-CG1 3.97Å; F261-K289 HydrophobicContact CZ-CB 4Å; F261-F290 AromaticContact CD1-CD2 3.94Å; F261-F290 HydrophobicContact CD1-CD2 3.94Å; F261-F290 HydrophobicContact CD2-CD2 4.45Å; F261-F290 HydrophobicContact CE1-CB 3.63Å; F261-F290 AromaticContact CE1-CD2 3.7Å; F261-F290 HydrophobicContact CE1-CD2 3.7Å; F261-F290 HydrophobicContact CE1-CG 4.13Å; F261-F290 HydrophobicContact CE2-CD2 4.22Å; F261-F290 HydrophobicContact CG-CD2 4.32Å; F261-F290 VanDerWaalsContact CZ-CA 3.44Å; F261-F290 HydrophobicContact CZ-CB 3.61Å; F261-F290 AromaticContact CZ-CD2 3.86Å; F261-F290 HydrophobicContact CZ-CD2 3.86Å; F261-F290 HydrophobicContact CZ-CG 4.25Å
262	E	95.7	Very high	92.4	Very high	34 Å²	34	45.8 Å²	45.8	16%	0.159	25%	0.254	C	S	.	.			trans	-75	80.6	176.1	-53.3	86.1	162.7	0	0	109.8	Y257 P259 N260 D264 Y267 H270	Y257-E262 HydrophobicContact CD2-CB 4.39Å; Y257-E262 HydrophobicContact CG-CB 4.38Å; Y257-E262 HydrophobicContact CG-CG 4.44Å; P259-E262 WeakPolarHBondContact CA-OE1 3.45Å; N260-E262 WeakPolarHBondContact CA-OE2 3.39Å; N260-E262 PolarHBondContact N-OE1 2.82Å; N260-E262 PolarHBondContact N-OE2 3.14Å; E262-D264 PolarHBondContact O-N 3.42Å; E262-D264 VanDerWaalsContact O-N 3.08Å; E262-Y267 HydrophobicContact CB-CD1 4.02Å; E262-Y267 HydrophobicContact CB-CD2 3.66Å; E262-Y267 HydrophobicContact CB-CE2 4.22Å; E262-Y267 HydrophobicContact CB-CG 3.55Å; E262-Y267 HydrophobicContact CG-CD1 4.29Å; E262-Y267 HydrophobicContact CG-CD2 4.44Å; E262-Y267 HydrophobicContact CG-CE1 4.43Å; E262-Y267 HydrophobicContact CG-CG 4.29Å; E262-Y267 WeakPolarHBondContact O-CB 3.15Å; E262-H270 IonicContact OE2-CD2 3.28Å; E262-H270 IonicContact OE2-CE1 3.72Å; E262-H270 PolarHBondContact OE2-CE1 2.75Å; E262-H270 IonicContact OE2-CG 3.53Å; E262-H270 IonicContact OE2-ND1 2.73Å; E262-H270 PolarHBondContact OE2-ND1 3.08Å; E262-H270 IonicContact OE2-NE2 3.4Å; E262-H270 PolarHBondContact OE2-NE2 2.98Å
263	F	94.9	Very high	92.4	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	25%	0.253	C	S	.	.			trans	-82.5	29.5	-173.9	-60.3	-31.6	0	0	0	115	F261 H270 I272 M310 N322 N325 M326 L329	F261-F263 VanDerWaalsContact C-N 3.34Å; F261-F263 HydrophobicContact CB-CE1 4.46Å; F261-F263 HydrophobicContact CB-CZ 4.25Å; F261-F263 HydrophobicContact CD1-CE1 4.48Å; F261-F263 AromaticContact CD1-CZ 3.97Å; F261-F263 HydrophobicContact CD1-CZ 3.97Å; F261-F263 PolarHBondContact O-N 3.32Å; F263-H270 HydrophobicContact CD1-CB 4.31Å; F263-H270 WeakPolarHBondContact CD1-O 3.43Å; F263-H270 VanDerWaalsContact CE1-O 3.28Å; F263-H270 WeakPolarHBondContact CE1-O 3.3Å; F263-I272 HydrophobicContact CE1-CD1 4.49Å; F263-I272 HydrophobicContact CE1-CG1 4.29Å; F263-I272 HydrophobicContact CZ-CD1 3.97Å; F263-I272 HydrophobicContact CZ-CG1 4.26Å; F263-M310 HydrophobicContact CD2-CE 3.52Å; F263-M310 HydrophobicContact CE2-CE 3.85Å; F263-M310 HydrophobicContact CG-CE 4.41Å; F263-N322 WeakPolarHBondContact O-CA 3.24Å; F263-N322 VanDerWaalsContact O-CG 3.3Å; F263-N322 PolarHBondContact O-N 3.26Å; F263-N322 PolarHBondContact O-ND2 3.08Å; F263-N325 HydrophobicContact CB-CB 3.8Å; F263-N325 HydrophobicContact CD1-CB 3.71Å; F263-N325 HydrophobicContact CD2-CB 3.6Å; F263-N325 HydrophobicContact CE1-CB 4.13Å; F263-N325 HydrophobicContact CE2-CB 4.02Å; F263-N325 HydrophobicContact CG-CB 3.43Å; F263-N325 VanDerWaalsContact CG-CB 3.43Å; F263-N325 HydrophobicContact CZ-CB 4.27Å; F263-M326 HydrophobicContact CD2-CG 3.95Å; F263-M326 HydrophobicContact CE2-CG 4.45Å; F263-L329 HydrophobicContact CE2-CB 4.31Å; F263-L329 HydrophobicContact CE2-CD2 3.91Å; F263-L329 HydrophobicContact CZ-CD2 4.3Å
264	D	94.2	Very high	92.5	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-100.3	157.4	-178.3	-171.5	79.7	0	0	0	111.9	Y257 E262 S266 Y267 T315 Y316 N322	Y257-D264 HydrophobicContact CE2-CB 4.25Å; E262-D264 PolarHBondContact O-N 3.42Å; E262-D264 VanDerWaalsContact O-N 3.08Å; D264-S266 PolarHBondContact O-N 3.08Å; D264-S266 WeakPolarHBondContact OD2-CB 3.47Å; D264-S266 PolarHBondContact OD2-N 3.15Å; D264-S266 PolarHBondContact OD2-OG 3.35Å; D264-Y267 HydrophobicContact CB-CD2 4.2Å; D264-Y267 CarbonylContact O-C 3.56Å; D264-Y267 PolarHBondContact O-N 3.37Å; D264-T315 HydrophobicContact CB-CG2 4.44Å; D264-Y316 PolarHBondContact OD1-N 2.79Å; D264-N322 PolarHBondContact OD1-ND2 3.04Å
265	A	89	Confident	92.6	Very high	23 Å²	23	44.4 Å²	44.4	19%	0.19	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.1	177.2	0	0	0	0	0	113.8	Y267 N318 M321	A265-Y267 PolarHBondContact O-N 3.39Å; A265-N318 HydrophobicContact CB-CB 4.32Å; A265-M321 VanDerWaalsContact CA-SD 3.54Å; A265-M321 HydrophobicContact CB-CE 4.16Å; A265-M321 HydrophobicContact CB-SD 4.24Å
266	S	86.5	Confident	92.4	Very high	65 Å²	65	48.3 Å²	48.3	46%	0.455	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.4	173.5	-52.1	0	0	0	0	113.4	D264	D264-S266 PolarHBondContact O-N 3.08Å; D264-S266 WeakPolarHBondContact OD2-CB 3.47Å; D264-S266 PolarHBondContact OD2-N 3.15Å; D264-S266 PolarHBondContact OD2-OG 3.35Å
267	Y	87.7	Confident	92.3	Very high	99 Å²	99	52.3 Å²	52.3	39%	0.388	31%	0.305	S	S	.	.			trans	-132.4	69.6	-176	-56.3	-87.3	0	0	0	111.5	E262 D264 A265 D269 H270	E262-Y267 HydrophobicContact CB-CD1 4.02Å; E262-Y267 HydrophobicContact CB-CD2 3.66Å; E262-Y267 HydrophobicContact CB-CE2 4.22Å; E262-Y267 HydrophobicContact CB-CG 3.55Å; E262-Y267 HydrophobicContact CG-CD1 4.29Å; E262-Y267 HydrophobicContact CG-CD2 4.44Å; E262-Y267 HydrophobicContact CG-CE1 4.43Å; E262-Y267 HydrophobicContact CG-CG 4.29Å; E262-Y267 WeakPolarHBondContact O-CB 3.15Å; D264-Y267 HydrophobicContact CB-CD2 4.2Å; D264-Y267 CarbonylContact O-C 3.56Å; D264-Y267 PolarHBondContact O-N 3.37Å; A265-Y267 PolarHBondContact O-N 3.39Å; Y267-D269 PolarHBondContact O-N 3.5Å; Y267-D269 VanDerWaalsContact O-N 3.11Å; Y267-H270 PolarHBondContact O-N 2.85Å
268	P	79.7	Confident	92.3	Very high	82 Å²	82	55.3 Å²	55.3	53%	0.532	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-62.8	-24	-170.7	25.2	-34.9	0	0	0	114.5	H270 S271	P268-H270 VanDerWaalsContact C-N 3.26Å; P268-H270 PolarHBondContact O-N 3.43Å; P268-S271 PolarHBondContact O-OG 2.95Å
269	D	86.2	Confident	92.2	Very high	148 Å²	148	64.1 Å²	64.1	79%	0.791	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-75.5	-6.5	-172.7	-63.1	-31.9	0	0	0	114.6	Y267	Y267-D269 PolarHBondContact O-N 3.5Å; Y267-D269 VanDerWaalsContact O-N 3.11Å
270	H	89.2	Confident	92.3	Very high	51 Å²	51	65.9 Å²	65.9	24%	0.236	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-100.4	11.9	-175.8	-58	115	0	0	0	114.5	E262 F263 Y267 P268	E262-H270 IonicContact OE2-CD2 3.28Å; E262-H270 IonicContact OE2-CE1 3.72Å; E262-H270 PolarHBondContact OE2-CE1 2.75Å; E262-H270 IonicContact OE2-CG 3.53Å; E262-H270 IonicContact OE2-ND1 2.73Å; E262-H270 PolarHBondContact OE2-ND1 3.08Å; E262-H270 IonicContact OE2-NE2 3.4Å; E262-H270 PolarHBondContact OE2-NE2 2.98Å; F263-H270 HydrophobicContact CD1-CB 4.31Å; F263-H270 WeakPolarHBondContact CD1-O 3.43Å; F263-H270 VanDerWaalsContact CE1-O 3.28Å; F263-H270 WeakPolarHBondContact CE1-O 3.3Å; Y267-H270 PolarHBondContact O-N 2.85Å; P268-H270 VanDerWaalsContact C-N 3.26Å; P268-H270 PolarHBondContact O-N 3.43Å
271	S	92.4	Very high	92.5	Very high	42 Å²	42	65.7 Å²	65.7	29%	0.294	36%	0.357	S	S	.	.			trans	-65.6	139.8	179.6	-67.1	0	0	0	0	112.5	P268 V273 N282 N325	P268-S271 PolarHBondContact O-OG 2.95Å; S271-V273 PolarHBondContact O-N 2.96Å; S271-N282 PolarHBondContact O-ND2 3.08Å; S271-N325 WeakPolarHBondContact CA-OD1 3.45Å
272	I	95.5	Very high	92.6	Very high	5 Å²	5	67.2 Å²	67.2	3%	0.026	37%	0.365	C	S	.	.			trans	-83.6	114.4	174.5	-56.2	-176	0	0	0	109.2	F263 V283 V286 N325 K328 L329	F263-I272 HydrophobicContact CE1-CD1 4.49Å; F263-I272 HydrophobicContact CE1-CG1 4.29Å; F263-I272 HydrophobicContact CZ-CD1 3.97Å; F263-I272 HydrophobicContact CZ-CG1 4.26Å; I272-V283 HydrophobicContact CG2-CG2 3.75Å; I272-V286 HydrophobicContact CD1-CG1 3.89Å; I272-V286 HydrophobicContact CG1-CG1 4.12Å; I272-N325 WeakPolarHBondContact CD1-O 3.25Å; I272-N325 PolarHBondContact N-OD1 3.04Å; I272-K328 HydrophobicContact CB-CB 4.19Å; I272-K328 HydrophobicContact CB-CD 3.91Å; I272-K328 HydrophobicContact CD1-CB 4.06Å; I272-K328 HydrophobicContact CG2-CB 4.05Å; I272-K328 HydrophobicContact CG2-CD 4.01Å; I272-K328 WeakPolarHBondContact O-CD 3.42Å; I272-K328 PolarHBondContact O-NZ 3.11Å; I272-L329 HydrophobicContact CD1-CB 3.92Å; I272-L329 HydrophobicContact CD1-CD1 4.45Å
273	V	95.4	Very high	92.6	Very high	35 Å²	35	65.8 Å²	65.8	21%	0.212	36%	0.359	C	S	.	.			trans	-100.6	106.7	177	-179.2	0	0	0	0	108.4	S271 I278 E280 Y281 N282	S271-V273 PolarHBondContact O-N 2.96Å; V273-I278 HydrophobicContact CG1-CD1 3.54Å; V273-I278 HydrophobicContact CG1-CG1 3.86Å; V273-E280 WeakPolarHBondContact CB-O 3.13Å; V273-E280 HydrophobicContact CG1-CB 4.26Å; V273-E280 HydrophobicContact CG2-CB 4.37Å; V273-Y281 WeakPolarHBondContact O-CD2 3.39Å; V273-N282 PolarHBondContact N-OD1 3.36Å; V273-N282 PolarHBondContact O-N 2.77Å; V273-N282 PolarHBondContact O-OD1 3.44Å
274	D	95.6	Very high	92.7	Very high	53 Å²	53	70.5 Å²	70.5	28%	0.283	38%	0.384	S	S	.	.			trans	-107	8.9	-171.1	60.9	-26.5	0	0	0	114.3	P276 V283 K328 Y332	D274-P276 VanDerWaalsContact O-CD 3.31Å; D274-P276 WeakPolarHBondContact O-CD 3.45Å; D274-V283 HydrophobicContact CB-CG2 3.64Å; D274-K328 WeakPolarHBondContact OD1-CE 3.22Å; D274-K328 IonicContact OD1-NZ 2.77Å; D274-K328 PolarHBondContact OD1-NZ 2.79Å; D274-K328 WeakPolarHBondContact OD2-CE 3.43Å; D274-K328 IonicContact OD2-NZ 3.45Å; D274-Y332 HydrophobicContact CB-CE2 3.59Å; D274-Y332 WeakPolarHBondContact CB-OH 3.19Å; D274-Y332 PolarHBondContact OD2-OH 2.92Å
275	N	95.9	Very high	92.8	Very high	74 Å²	74	75.4 Å²	75.4	40%	0.396	41%	0.409	S	S	.	.			trans	-86.5	108.3	168.5	-177.7	-5	0	0	0	109.7	S277 I278	N275-S277 PolarHBondContact O-N 3.27Å; N275-S277 VanDerWaalsContact O-N 3.14Å; N275-S277 WeakPolarHBondContact OD1-CB 3.47Å; N275-S277 PolarHBondContact OD1-N 3.31Å; N275-I278 HydrophobicContact CB-CD1 4.26Å; N275-I278 HydrophobicContact CB-CG1 4.21Å; N275-I278 WeakPolarHBondContact O-CG1 3.36Å; N275-I278 PolarHBondContact O-N 3.07Å
276	P	93.8	Very high	93.2	Very high	97 Å²	97	75.3 Å²	75.3	63%	0.63	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.9	-176.6	30.9	-37	0	0	0	113.8	D274 Y281	D274-P276 VanDerWaalsContact O-CD 3.31Å; D274-P276 WeakPolarHBondContact O-CD 3.45Å; P276-Y281 HydrophobicContact CB-CD2 4.18Å; P276-Y281 HydrophobicContact CB-CE2 4.18Å
277	S	95.8	Very high	93.8	Very high	108 Å²	108	72.5 Å²	72.5	76%	0.755	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.8	-178.4	-55.8	0	0	0	0	114.4	N275	N275-S277 PolarHBondContact O-N 3.27Å; N275-S277 VanDerWaalsContact O-N 3.14Å; N275-S277 WeakPolarHBondContact OD1-CB 3.47Å; N275-S277 PolarHBondContact OD1-N 3.31Å
278	I	94.5	Very high	94.3	Very high	74 Å²	74	75.5 Å²	75.5	38%	0.379	40%	0.401	S	S	.	.	S	Bend	trans	-110.9	153	-179.3	69.1	179.6	0	0	0	111.4	V273 N275 E280 Y281	V273-I278 HydrophobicContact CG1-CD1 3.54Å; V273-I278 HydrophobicContact CG1-CG1 3.86Å; N275-I278 HydrophobicContact CB-CD1 4.26Å; N275-I278 HydrophobicContact CB-CG1 4.21Å; N275-I278 WeakPolarHBondContact O-CG1 3.36Å; N275-I278 PolarHBondContact O-N 3.07Å; I278-E280 PolarHBondContact O-N 2.97Å; I278-Y281 WeakPolarHBondContact O-CB 3.26Å; I278-Y281 PolarHBondContact O-N 3.38Å
279	Q	94.2	Very high	95.1	Very high	188 Å²	188	76.4 Å²	76.4	88%	0.879	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.9	-173.7	-178.7	176.4	-23	0	0	112.3	Y281	Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-Y281 PolarHBondContact O-N 2.98Å
280	E	94.4	Very high	95.7	Very high	119 Å²	119	69.4 Å²	69.4	56%	0.556	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.7	-176.6	-61	76.5	-169.8	0	0	113.6	V273 I278 N282	V273-E280 WeakPolarHBondContact CB-O 3.13Å; V273-E280 HydrophobicContact CG1-CB 4.26Å; V273-E280 HydrophobicContact CG2-CB 4.37Å; I278-E280 PolarHBondContact O-N 2.97Å; E280-N282 PolarHBondContact O-N 2.93Å
281	Y	96.6	Very high	96.2	Very high	72 Å²	72	68.1 Å²	68.1	28%	0.282	35%	0.354	S	S	.	.			trans	-51.8	126.9	176.6	175.5	-97.1	0	0	0	111.8	V273 P276 I278 Q279 V283 D284	V273-Y281 WeakPolarHBondContact O-CD2 3.39Å; P276-Y281 HydrophobicContact CB-CD2 4.18Å; P276-Y281 HydrophobicContact CB-CE2 4.18Å; I278-Y281 WeakPolarHBondContact O-CB 3.26Å; I278-Y281 PolarHBondContact O-N 3.38Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-Y281 PolarHBondContact O-N 2.98Å; Y281-V283 HydrophobicContact CD2-CG2 4.45Å; Y281-V283 HydrophobicContact CE1-CB 4.49Å; Y281-V283 HydrophobicContact CE2-CB 3.8Å; Y281-V283 HydrophobicContact CE2-CG2 3.83Å; Y281-D284 PolarHBondContact OH-OD1 3.43Å
282	N	96.7	Very high	96.4	Very high	37 Å²	37	71.1 Å²	71.1	20%	0.198	36%	0.363	C	S	.	.			trans	-137.7	2.3	-172.5	68.1	4.2	0	0	0	115.3	S271 V273 E280 D284 I285 V286	S271-N282 PolarHBondContact O-ND2 3.08Å; V273-N282 PolarHBondContact N-OD1 3.36Å; V273-N282 PolarHBondContact O-N 2.77Å; V273-N282 PolarHBondContact O-OD1 3.44Å; E280-N282 PolarHBondContact O-N 2.93Å; N282-D284 PolarHBondContact O-N 3.21Å; N282-I285 PolarHBondContact O-N 2.99Å; N282-I285 VanDerWaalsContact O-N 3.14Å; N282-V286 HydrophobicContact CB-CG2 4.31Å; N282-V286 WeakPolarHBondContact O-CG2 3.48Å; N282-V286 PolarHBondContact O-N 3.31Å
283	V	97.7	Very high	96.5	Very high	4 Å²	4	73.3 Å²	73.3	2%	0.024	37%	0.372	C	S	.	.	H	α-helix	trans	-52.2	-49.3	-174.3	170.4	0	0	0	0	112.5	I272 D274 Y281 I285 V286 V287 Y332	I272-V283 HydrophobicContact CG2-CG2 3.75Å; D274-V283 HydrophobicContact CB-CG2 3.64Å; Y281-V283 HydrophobicContact CD2-CG2 4.45Å; Y281-V283 HydrophobicContact CE1-CB 4.49Å; Y281-V283 HydrophobicContact CE2-CB 3.8Å; Y281-V283 HydrophobicContact CE2-CG2 3.83Å; V283-I285 VanDerWaalsContact C-N 3.28Å; V283-I285 PolarHBondContact O-N 3.4Å; V283-V286 PolarHBondContact O-N 2.93Å; V283-V287 HydrophobicContact CG1-CG2 4.04Å; V283-V287 WeakPolarHBondContact O-CB 3.33Å; V283-V287 VanDerWaalsContact O-CG2 3.29Å; V283-V287 WeakPolarHBondContact O-CG2 3.4Å; V283-V287 PolarHBondContact O-N 3.01Å; V283-Y332 HydrophobicContact CG1-CD1 3.77Å; V283-Y332 HydrophobicContact CG1-CD2 3.82Å; V283-Y332 HydrophobicContact CG1-CE1 4.35Å; V283-Y332 HydrophobicContact CG1-CE2 4.44Å; V283-Y332 HydrophobicContact CG1-CG 3.5Å; V283-Y332 VanDerWaalsContact CG1-CG 3.5Å; V283-Y332 HydrophobicContact CG2-CD2 4.03Å; V283-Y332 HydrophobicContact CG2-CE2 4.03Å
284	D	96.5	Very high	96.7	Very high	102 Å²	102	71.7 Å²	71.7	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-39	-175.7	-58.8	-14.6	0	0	0	112.1	Y281 N282 K288	Y281-D284 PolarHBondContact OH-OD1 3.43Å; N282-D284 PolarHBondContact O-N 3.21Å; D284-K288 VanDerWaalsContact O-CB 3.25Å; D284-K288 WeakPolarHBondContact O-CB 3.35Å; D284-K288 PolarHBondContact O-N 3.34Å; D284-K288 VanDerWaalsContact O-N 3.07Å
285	I	96.6	Very high	96.8	Very high	106 Å²	106	73.3 Å²	73.3	54%	0.544	37%	0.366	S	S	.	.	H	α-helix	trans	-71.5	-45.4	178.8	-63.5	171.2	0	0	0	110	N282 V283 K288 K289	N282-I285 PolarHBondContact O-N 2.99Å; N282-I285 VanDerWaalsContact O-N 3.14Å; V283-I285 VanDerWaalsContact C-N 3.28Å; V283-I285 PolarHBondContact O-N 3.4Å; I285-K288 PolarHBondContact O-N 2.88Å; I285-K289 HydrophobicContact CG2-CD 4.18Å; I285-K289 HydrophobicContact CG2-CG 4.4Å; I285-K289 WeakPolarHBondContact O-CB 3.5Å; I285-K289 WeakPolarHBondContact O-CG 3.25Å; I285-K289 PolarHBondContact O-N 3.42Å
286	V	97.3	Very high	96.8	Very high	20 Å²	20	73.5 Å²	73.5	12%	0.121	37%	0.368	C	S	.	.	H	α-helix	trans	-60.6	-49.4	178.8	173	0	0	0	0	110.5	F261 I272 N282 V283 K288 K289 F290 L329	F261-V286 HydrophobicContact CE1-CG1 3.97Å; I272-V286 HydrophobicContact CD1-CG1 3.89Å; I272-V286 HydrophobicContact CG1-CG1 4.12Å; N282-V286 HydrophobicContact CB-CG2 4.31Å; N282-V286 WeakPolarHBondContact O-CG2 3.48Å; N282-V286 PolarHBondContact O-N 3.31Å; V283-V286 PolarHBondContact O-N 2.93Å; V286-K288 PolarHBondContact O-N 3.31Å; V286-K289 PolarHBondContact O-N 3.42Å; V286-F290 WeakPolarHBondContact O-CB 3.28Å; V286-F290 PolarHBondContact O-N 2.96Å; V286-L329 HydrophobicContact CG1-CD1 4.18Å
287	V	98.1	Very high	97	Very high	7 Å²	7	69.1 Å²	69.1	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-46.5	178.4	169.6	0	0	0	0	111	V283 F290 I291 V333 Q336	V283-V287 HydrophobicContact CG1-CG2 4.04Å; V283-V287 WeakPolarHBondContact O-CB 3.33Å; V283-V287 VanDerWaalsContact O-CG2 3.29Å; V283-V287 WeakPolarHBondContact O-CG2 3.4Å; V283-V287 PolarHBondContact O-N 3.01Å; V287-F290 PolarHBondContact O-N 3.48Å; V287-I291 HydrophobicContact CG1-CD1 3.81Å; V287-I291 HydrophobicContact CG1-CG1 4.49Å; V287-I291 WeakPolarHBondContact O-CB 3.35Å; V287-I291 WeakPolarHBondContact O-CG1 3.37Å; V287-I291 PolarHBondContact O-N 2.98Å; V287-V333 HydrophobicContact CG1-CG2 4.27Å; V287-V333 HydrophobicContact CG2-CG2 4.19Å; V287-Q336 HydrophobicContact CG1-CG 3.5Å; V287-Q336 VanDerWaalsContact CG1-CG 3.5Å
288	K	97.9	Very high	97.1	Very high	162 Å²	162	65.2 Å²	65.2	70%	0.704	31%	0.311	S	S	*	.	H	α-helix	trans	-61.7	-46.1	178	-177.4	178.7	178.3	179.5	0	111.9	D284 I285 V286 F290 Q292	D284-K288 VanDerWaalsContact O-CB 3.25Å; D284-K288 WeakPolarHBondContact O-CB 3.35Å; D284-K288 PolarHBondContact O-N 3.34Å; D284-K288 VanDerWaalsContact O-N 3.07Å; I285-K288 PolarHBondContact O-N 2.88Å; V286-K288 PolarHBondContact O-N 3.31Å; K288-F290 VanDerWaalsContact C-N 3.34Å; K288-Q292 WeakPolarHBondContact O-CB 3.43Å; K288-Q292 PolarHBondContact O-N 3.23Å
289	K	98	Very high	97.2	Very high	101 Å²	101	66.4 Å²	66.4	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-60.6	-43.6	176.4	-78.3	-177.3	173.9	-172.4	0	111.1	N260 F261 I285 V286 Q292 Y293	N260-K289 PolarHBondContact OD1-NZ 3.49Å; F261-K289 HydrophobicContact CZ-CB 4Å; I285-K289 HydrophobicContact CG2-CD 4.18Å; I285-K289 HydrophobicContact CG2-CG 4.4Å; I285-K289 WeakPolarHBondContact O-CB 3.5Å; I285-K289 WeakPolarHBondContact O-CG 3.25Å; I285-K289 PolarHBondContact O-N 3.42Å; V286-K289 PolarHBondContact O-N 3.42Å; K289-Q292 PolarHBondContact O-N 2.82Å; K289-Y293 WeakPolarHBondContact O-CB 3.18Å; K289-Y293 PolarHBondContact O-N 3.04Å
290	F	98.4	Very high	97.4	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-47.6	-178.2	-172.9	-100.4	0	0	0	111.6	I50 L52 F261 V286 V287 K288 Q292 Y293 V294 L329 V333 V345	I50-F290 HydrophobicContact CG2-CE1 4.32Å; I50-F290 HydrophobicContact CG2-CZ 3.95Å; L52-F290 HydrophobicContact CD2-CZ 4.06Å; F261-F290 AromaticContact CD1-CD2 3.94Å; F261-F290 HydrophobicContact CD1-CD2 3.94Å; F261-F290 HydrophobicContact CD2-CD2 4.45Å; F261-F290 HydrophobicContact CE1-CB 3.63Å; F261-F290 AromaticContact CE1-CD2 3.7Å; F261-F290 HydrophobicContact CE1-CD2 3.7Å; F261-F290 HydrophobicContact CE1-CG 4.13Å; F261-F290 HydrophobicContact CE2-CD2 4.22Å; F261-F290 HydrophobicContact CG-CD2 4.32Å; F261-F290 VanDerWaalsContact CZ-CA 3.44Å; F261-F290 HydrophobicContact CZ-CB 3.61Å; F261-F290 AromaticContact CZ-CD2 3.86Å; F261-F290 HydrophobicContact CZ-CD2 3.86Å; F261-F290 HydrophobicContact CZ-CG 4.25Å; V286-F290 WeakPolarHBondContact O-CB 3.28Å; V286-F290 PolarHBondContact O-N 2.96Å; V287-F290 PolarHBondContact O-N 3.48Å; K288-F290 VanDerWaalsContact C-N 3.34Å; F290-Q292 VanDerWaalsContact C-N 3.28Å; F290-Q292 PolarHBondContact O-N 3.36Å; F290-Y293 WeakPolarHBondContact O-CB 3.42Å; F290-Y293 PolarHBondContact O-N 3.28Å; F290-Y293 VanDerWaalsContact O-N 3.17Å; F290-V294 HydrophobicContact CD1-CG1 4.24Å; F290-V294 HydrophobicContact CE1-CG1 3.75Å; F290-V294 HydrophobicContact CE2-CG1 4.13Å; F290-V294 HydrophobicContact CZ-CG1 3.71Å; F290-V294 WeakPolarHBondContact O-CG2 3.21Å; F290-V294 PolarHBondContact O-N 2.88Å; F290-L329 HydrophobicContact CB-CD1 4.06Å; F290-L329 HydrophobicContact CD1-CD1 4.23Å; F290-L329 HydrophobicContact CD2-CD1 4.1Å; F290-L329 HydrophobicContact CD2-CD2 3.91Å; F290-L329 HydrophobicContact CE2-CD2 3.74Å; F290-L329 HydrophobicContact CG-CD1 3.86Å; F290-L329 HydrophobicContact CG-CD2 4.38Å; F290-L329 HydrophobicContact CZ-CD2 4.07Å; F290-V333 HydrophobicContact CD1-CG1 4.28Å; F290-V333 HydrophobicContact CD1-CG2 3.74Å; F290-V333 HydrophobicContact CE1-CG2 4.42Å; F290-V333 HydrophobicContact CG-CG2 4.41Å; F290-V345 HydrophobicContact CE1-CG1 4.42Å; F290-V345 HydrophobicContact CE1-CG2 3.78Å
291	I	98.3	Very high	97.6	Very high	24 Å²	24	53 Å²	53	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-41.8	176.4	-71	173.4	0	0	0	110.7	V287 V294 K295 V333 Q336 V343	V287-I291 HydrophobicContact CG1-CD1 3.81Å; V287-I291 HydrophobicContact CG1-CG1 4.49Å; V287-I291 WeakPolarHBondContact O-CB 3.35Å; V287-I291 WeakPolarHBondContact O-CG1 3.37Å; V287-I291 PolarHBondContact O-N 2.98Å; I291-V294 WeakPolarHBondContact O-CG2 3.36Å; I291-K295 HydrophobicContact CG2-CD 3.97Å; I291-K295 HydrophobicContact CG2-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CB 3.39Å; I291-K295 VanDerWaalsContact O-CG 3.26Å; I291-K295 WeakPolarHBondContact O-CG 3.39Å; I291-K295 PolarHBondContact O-N 3.47Å; I291-V333 HydrophobicContact CD1-CG1 4.36Å; I291-V333 HydrophobicContact CG1-CG1 4.07Å; I291-Q336 HydrophobicContact CD1-CB 4.29Å; I291-Q336 HydrophobicContact CD1-CG 4Å; I291-V343 HydrophobicContact CG1-CG2 4.48Å; I291-V343 HydrophobicContact CG2-CG2 4.28Å
292	Q	97.9	Very high	97.6	Very high	105 Å²	105	52.9 Å²	52.9	49%	0.491	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.4	-175.5	61.8	50	0	0	111.8	K288 K289 F290 N296	K288-Q292 WeakPolarHBondContact O-CB 3.43Å; K288-Q292 PolarHBondContact O-N 3.23Å; K289-Q292 PolarHBondContact O-N 2.82Å; F290-Q292 VanDerWaalsContact C-N 3.28Å; F290-Q292 PolarHBondContact O-N 3.36Å; Q292-N296 PolarHBondContact NE2-OD1 3.45Å; Q292-N296 VanDerWaalsContact O-CG 3.23Å; Q292-N296 PolarHBondContact O-N 3.22Å; Q292-N296 PolarHBondContact O-OD1 2.86Å
293	Y	97.8	Very high	97.7	Very high	52 Å²	52	51.3 Å²	51.3	20%	0.204	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-54.5	177.7	171.4	-100.6	0	0	0	111.2	P258 K289 F290 K295 N296 L297 V308	P258-Y293 HydrophobicContact CB-CD1 4.32Å; P258-Y293 HydrophobicContact CB-CE1 3.67Å; P258-Y293 HydrophobicContact CB-CE2 4.05Å; P258-Y293 HydrophobicContact CG-CE1 3.7Å; K289-Y293 WeakPolarHBondContact O-CB 3.18Å; K289-Y293 PolarHBondContact O-N 3.04Å; F290-Y293 WeakPolarHBondContact O-CB 3.42Å; F290-Y293 PolarHBondContact O-N 3.28Å; F290-Y293 VanDerWaalsContact O-N 3.17Å; Y293-K295 VanDerWaalsContact C-N 3.33Å; Y293-K295 PolarHBondContact O-N 3.17Å; Y293-N296 WeakPolarHBondContact O-CB 3.43Å; Y293-N296 PolarHBondContact O-N 3.39Å; Y293-N296 VanDerWaalsContact O-N 3.09Å; Y293-L297 HydrophobicContact CD1-CD1 4.17Å; Y293-L297 HydrophobicContact CD1-CD2 4.45Å; Y293-L297 HydrophobicContact CD2-CD1 3.71Å; Y293-L297 HydrophobicContact CE1-CD1 3.82Å; Y293-L297 HydrophobicContact CE1-CD2 3.6Å; Y293-L297 HydrophobicContact CE1-CG 4.36Å; Y293-L297 HydrophobicContact CE2-CD1 3.33Å; Y293-L297 HydrophobicContact CE2-CD2 4.4Å; Y293-L297 HydrophobicContact CE2-CG 4.5Å; Y293-L297 HydrophobicContact CG-CD1 4.11Å; Y293-L297 VanDerWaalsContact O-CD1 3.26Å; Y293-L297 WeakPolarHBondContact O-CD1 3.34Å; Y293-L297 PolarHBondContact O-N 3.22Å; Y293-L297 WeakPolarHBondContact OH-CD2 3.25Å; Y293-V308 HydrophobicContact CE1-CG2 4.48Å
294	V	98.2	Very high	97.7	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.7	-31.7	-177	-59	0	0	0	0	113	L48 I50 F290 I291 L297 S298 V308 V343	L48-V294 HydrophobicContact CD2-CG2 4.34Å; I50-V294 HydrophobicContact CD1-CB 3.63Å; I50-V294 HydrophobicContact CD1-CG1 3.96Å; I50-V294 HydrophobicContact CD1-CG2 3.93Å; I50-V294 HydrophobicContact CG1-CB 4.21Å; I50-V294 HydrophobicContact CG1-CG1 4.16Å; I50-V294 HydrophobicContact CG1-CG2 4.2Å; I50-V294 HydrophobicContact CG2-CG1 4.07Å; F290-V294 HydrophobicContact CD1-CG1 4.24Å; F290-V294 HydrophobicContact CE1-CG1 3.75Å; F290-V294 HydrophobicContact CE2-CG1 4.13Å; F290-V294 HydrophobicContact CZ-CG1 3.71Å; F290-V294 WeakPolarHBondContact O-CG2 3.21Å; F290-V294 PolarHBondContact O-N 2.88Å; I291-V294 WeakPolarHBondContact O-CG2 3.36Å; V294-L297 PolarHBondContact O-N 2.68Å; V294-S298 WeakPolarHBondContact O-CB 3.29Å; V294-S298 PolarHBondContact O-N 2.96Å; V294-V308 HydrophobicContact CG1-CG2 4.24Å; V294-V343 HydrophobicContact CG2-CG1 4.18Å
295	K	98	Very high	97.8	Very high	87 Å²	87	51 Å²	51	38%	0.378	25%	0.247	S	C	.	.	H	α-helix	trans	-64.3	-41.1	171.6	-78	-180	176.7	-178.6	0	111.4	I291 Y293 S298 N299	I291-K295 HydrophobicContact CG2-CD 3.97Å; I291-K295 HydrophobicContact CG2-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CB 3.39Å; I291-K295 VanDerWaalsContact O-CG 3.26Å; I291-K295 WeakPolarHBondContact O-CG 3.39Å; I291-K295 PolarHBondContact O-N 3.47Å; Y293-K295 VanDerWaalsContact C-N 3.33Å; Y293-K295 PolarHBondContact O-N 3.17Å; K295-S298 PolarHBondContact O-N 3.11Å; K295-S298 PolarHBondContact O-OG 2.94Å; K295-N299 PolarHBondContact O-ND2 2.88Å
296	N	97.2	Very high	97.8	Very high	79 Å²	79	46 Å²	46	42%	0.422	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-45.7	174.7	-70.4	-10.3	0	0	0	111.2	Q292 Y293 S298 N299	Q292-N296 PolarHBondContact NE2-OD1 3.45Å; Q292-N296 VanDerWaalsContact O-CG 3.23Å; Q292-N296 PolarHBondContact O-N 3.22Å; Q292-N296 PolarHBondContact O-OD1 2.86Å; Y293-N296 WeakPolarHBondContact O-CB 3.43Å; Y293-N296 PolarHBondContact O-N 3.39Å; Y293-N296 VanDerWaalsContact O-N 3.09Å; N296-S298 VanDerWaalsContact C-N 3.33Å; N296-S298 PolarHBondContact O-N 2.82Å; N296-N299 WeakPolarHBondContact O-CB 3.44Å; N296-N299 PolarHBondContact O-N 3.19Å
297	L	97.1	Very high	97.9	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-44.2	176	-93.4	66.5	0	0	0	111.9	Y252 Y293 V294 N299 S300 F301 I306	Y252-L297 HydrophobicContact CD1-CD1 4.19Å; Y252-L297 HydrophobicContact CD1-CG 4.13Å; Y252-L297 HydrophobicContact CD2-CG 4.36Å; Y252-L297 HydrophobicContact CE1-CD1 4.17Å; Y252-L297 HydrophobicContact CE1-CG 4.48Å; Y252-L297 HydrophobicContact CG-CG 4.09Å; Y293-L297 HydrophobicContact CD1-CD1 4.17Å; Y293-L297 HydrophobicContact CD1-CD2 4.45Å; Y293-L297 HydrophobicContact CD2-CD1 3.71Å; Y293-L297 HydrophobicContact CE1-CD1 3.82Å; Y293-L297 HydrophobicContact CE1-CD2 3.6Å; Y293-L297 HydrophobicContact CE1-CG 4.36Å; Y293-L297 HydrophobicContact CE2-CD1 3.33Å; Y293-L297 HydrophobicContact CE2-CD2 4.4Å; Y293-L297 HydrophobicContact CE2-CG 4.5Å; Y293-L297 HydrophobicContact CG-CD1 4.11Å; Y293-L297 VanDerWaalsContact O-CD1 3.26Å; Y293-L297 WeakPolarHBondContact O-CD1 3.34Å; Y293-L297 PolarHBondContact O-N 3.22Å; Y293-L297 WeakPolarHBondContact OH-CD2 3.25Å; V294-L297 PolarHBondContact O-N 2.68Å; L297-N299 PolarHBondContact O-N 3.5Å; L297-S300 PolarHBondContact O-N 3.36Å; L297-F301 WeakPolarHBondContact O-CD2 3.35Å; L297-I306 HydrophobicContact CB-CG2 4.17Å; L297-I306 HydrophobicContact CD2-CG2 4.14Å
298	S	97.8	Very high	97.9	Very high	26 Å²	26	45.7 Å²	45.7	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-19	-178.2	75.7	0	0	0	0	114.2	V294 K295 N296 S300 F301	V294-S298 WeakPolarHBondContact O-CB 3.29Å; V294-S298 PolarHBondContact O-N 2.96Å; K295-S298 PolarHBondContact O-N 3.11Å; K295-S298 PolarHBondContact O-OG 2.94Å; N296-S298 VanDerWaalsContact C-N 3.33Å; N296-S298 PolarHBondContact O-N 2.82Å; S298-S300 PolarHBondContact O-N 2.74Å; S298-F301 PolarHBondContact O-N 2.7Å
299	N	97.5	Very high	97.9	Very high	98 Å²	98	38.5 Å²	38.5	52%	0.524	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.7	174	-64.1	-40.4	0	0	0	113.5	K218 K295 N296 L297	K218-N299 VanDerWaalsContact CE-O 3.22Å; K218-N299 WeakPolarHBondContact CE-O 3.45Å; K218-N299 WeakPolarHBondContact CG-O 3.37Å; K295-N299 PolarHBondContact O-ND2 2.88Å; N296-N299 WeakPolarHBondContact O-CB 3.44Å; N296-N299 PolarHBondContact O-N 3.19Å; L297-N299 PolarHBondContact O-N 3.5Å
300	S	97.8	Very high	97.9	Very high	12 Å²	12	33.7 Å²	33.7	8%	0.084	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	4.7	179.5	-66.6	0	0	0	0	114.5	K215 K218 L297 S298	K215-S300 WeakPolarHBondContact O-CA 3.38Å; K215-S300 WeakPolarHBondContact O-CB 3.34Å; K215-S300 PolarHBondContact O-OG 3.33Å; K218-S300 WeakPolarHBondContact CA-O 3.48Å; L297-S300 PolarHBondContact O-N 3.36Å; S298-S300 PolarHBondContact O-N 2.74Å
301	F	98.2	Very high	97.9	Very high	13 Å²	13	33.7 Å²	33.7	6%	0.057	17%	0.167	C	C	.	.			trans	-122.7	151.1	177.4	-66.3	-87.4	0	0	0	110.8	K218 L220 E221 Y252 L297 S298 I306	K218-F301 WeakPolarHBondContact CD-O 3.4Å; L220-F301 HydrophobicContact CB-CD1 4.23Å; L220-F301 HydrophobicContact CB-CE1 3.73Å; L220-F301 HydrophobicContact CB-CZ 4.21Å; L220-F301 HydrophobicContact CD1-CE1 4.09Å; L220-F301 HydrophobicContact CD1-CE2 4.11Å; L220-F301 HydrophobicContact CD1-CZ 3.69Å; E221-F301 HydrophobicContact CG-CD1 3.83Å; E221-F301 HydrophobicContact CG-CE1 4.12Å; Y252-F301 HydrophobicContact CD2-CE2 4.38Å; L297-F301 WeakPolarHBondContact O-CD2 3.35Å; S298-F301 PolarHBondContact O-N 2.7Å; F301-I306 HydrophobicContact CB-CD1 3.65Å; F301-I306 HydrophobicContact CD2-CD1 3.66Å; F301-I306 HydrophobicContact CG-CD1 3.81Å
302	K	97	Very high	97.8	Very high	71 Å²	71	33.4 Å²	33.4	31%	0.309	17%	0.167	S	C	.	.	S	Bend	trans	-83.2	-35.4	-178.2	-167.3	-176.3	-174.8	-177	0	111.6	F361 I364 T366	K302-F361 HydrophobicContact CB-CE1 4.48Å; K302-F361 HydrophobicContact CB-CZ 4.39Å; K302-F361 HydrophobicContact CD-CD1 4.46Å; K302-F361 HydrophobicContact CD-CE1 3.68Å; K302-F361 HydrophobicContact CD-CZ 4.39Å; K302-I364 HydrophobicContact CD-CD1 4.44Å; K302-I364 HydrophobicContact CG-CD1 4.44Å; K302-T366 PolarHBondContact NZ-O 2.83Å; K302-T366 PolarHBondContact NZ-OG1 3.46Å; K302-T366 VanDerWaalsContact NZ-OG1 3.12Å
303	T	97.4	Very high	97.8	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	15%	0.153	C	C	.	.	S	Bend	trans	-89.4	166.1	-177.9	73.3	0	0	0	0	111.5	H305 V357 E360 F361	T303-H305 PolarHBondContact O-N 3.37Å; T303-H305 PolarHBondContact OG1-N 2.75Å; T303-H305 PolarHBondContact OG1-O 2.98Å; T303-V357 HydrophobicContact CG2-CB 4.37Å; T303-V357 HydrophobicContact CG2-CG1 4.41Å; T303-E360 HydrophobicContact CG2-CB 4.1Å; T303-E360 HydrophobicContact CG2-CG 3.7Å; T303-F361 HydrophobicContact CG2-CD2 3.91Å; T303-F361 HydrophobicContact CG2-CE2 3.62Å; T303-F361 HydrophobicContact CG2-CG 4.5Å; T303-F361 HydrophobicContact CG2-CZ 4.02Å
304	N	97.7	Very high	97.7	Very high	81 Å²	81	28 Å²	28	43%	0.433	15%	0.145	S	C	.	.	S	Bend	trans	-86.9	18.7	169.5	-74.6	-25	0	0	0	112.6	Y47 L48 N49	Y47-N304 WeakPolarHBondContact O-CB 2.99Å; L48-N304 CarbonylContact C-O 3.38Å; N49-N304 PolarHBondContact N-O 2.83Å
305	H	98.6	Very high	97.7	Very high	19 Å²	19	28.3 Å²	28.3	9%	0.088	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.6	173.9	-62.9	-87	0	0	0	108.2	T42 N49 H51 T303 Y353 V357	T42-H305 PolarHBondContact O-CE1 3.49Å; T42-H305 PolarHBondContact O-ND1 3.02Å; N49-H305 WeakPolarHBondContact CB-ND1 2.95Å; N49-H305 PolarHBondContact ND2-CE1 2.87Å; N49-H305 CarbonylContact O-C 3.53Å; N49-H305 WeakPolarHBondContact O-CA 3.38Å; H51-H305 AromaticContact CD2-ND1 3.93Å; H51-H305 AromaticContact CE1-ND1 3.97Å; H51-H305 AromaticContact NE2-CG 3.77Å; H51-H305 AromaticContact NE2-ND1 3Å; H51-H305 PolarHBondContact NE2-ND1 2.63Å; T303-H305 PolarHBondContact O-N 3.37Å; T303-H305 PolarHBondContact OG1-N 2.75Å; T303-H305 PolarHBondContact OG1-O 2.98Å; H305-Y353 HydrophobicContact CB-CD2 4.46Å; H305-Y353 HydrophobicContact CB-CE2 3.98Å; H305-Y353 PolarHBondContact O-OH 3.33Å; H305-V357 HydrophobicContact CB-CG1 3.81Å
306	I	98.4	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.4	-178.6	-53.5	-62.1	0	0	0	109	L48 N49 I50 H51 L297 F301 V308	L48-I306 HydrophobicContact CD1-CD1 4.5Å; L48-I306 HydrophobicContact CD1-CG1 3.78Å; N49-I306 PolarHBondContact O-N 3.17Å; I50-I306 WeakPolarHBondContact CA-O 3.06Å; I50-I306 HydrophobicContact CD1-CB 3.83Å; I50-I306 HydrophobicContact CD1-CG1 4.1Å; H51-I306 PolarHBondContact N-O 3.43Å; L297-I306 HydrophobicContact CB-CG2 4.17Å; L297-I306 HydrophobicContact CD2-CG2 4.14Å; F301-I306 HydrophobicContact CB-CD1 3.65Å; F301-I306 HydrophobicContact CD2-CD1 3.66Å; F301-I306 HydrophobicContact CG-CD1 3.81Å; I306-V308 HydrophobicContact CG2-CG2 4.34Å
307	M	97.9	Very high	97.6	Very high	19 Å²	19	22 Å²	22	9%	0.094	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.2	171.9	-172.4	-179.7	-71.6	0	0	109.6	I53 W178 Y202 F251 L309 Y353	I53-M307 HydrophobicContact CD1-CG 4.21Å; I53-M307 HydrophobicContact CG1-CE 4.48Å; I53-M307 HydrophobicContact CG1-CG 3.45Å; I53-M307 VanDerWaalsContact CG1-CG 3.45Å; I53-M307 HydrophobicContact CG1-SD 4.04Å; W178-M307 HydrophobicContact CH2-SD 4.4Å; Y202-M307 HydrophobicContact CD1-CE 3.78Å; Y202-M307 HydrophobicContact CD1-SD 4.3Å; Y202-M307 HydrophobicContact CE1-CE 3.42Å; Y202-M307 VanDerWaalsContact CE1-CE 3.42Å; Y202-M307 HydrophobicContact CE1-SD 4.45Å; Y202-M307 HydrophobicContact CE2-CE 4.4Å; Y202-M307 HydrophobicContact CG-CE 4.42Å; F251-M307 HydrophobicContact CD1-SD 4.49Å; F251-M307 HydrophobicContact CE1-SD 3.83Å; M307-L309 HydrophobicContact CG-CD2 3.98Å; M307-L309 HydrophobicContact SD-CD2 3.66Å; M307-Y353 HydrophobicContact CB-CD1 4.46Å; M307-Y353 HydrophobicContact CB-CD2 3.96Å; M307-Y353 HydrophobicContact CB-CE1 4.29Å; M307-Y353 HydrophobicContact CB-CE2 3.75Å; M307-Y353 HydrophobicContact CB-CG 4.29Å; M307-Y353 HydrophobicContact CE-CD1 3.36Å; M307-Y353 HydrophobicContact CE-CD2 4.4Å; M307-Y353 HydrophobicContact CE-CE1 3.98Å; M307-Y353 HydrophobicContact CE-CG 3.59Å
308	V	98.5	Very high	97.6	Very high	2 Å²	2	25 Å²	25	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.4	172.4	173.9	0	0	0	0	108.3	I50 H51 L52 I53 P258 Y293 V294 I306 M310	I50-V308 HydrophobicContact CG2-CB 4.12Å; I50-V308 HydrophobicContact CG2-CG2 3.52Å; H51-V308 PolarHBondContact O-N 3.31Å; L52-V308 CarbonylContact C-O 3.58Å; L52-V308 WeakPolarHBondContact CA-O 3.17Å; L52-V308 HydrophobicContact CD2-CB 3.88Å; L52-V308 HydrophobicContact CD2-CG1 3.92Å; I53-V308 PolarHBondContact N-O 2.89Å; P258-V308 HydrophobicContact CG-CG1 3.59Å; Y293-V308 HydrophobicContact CE1-CG2 4.48Å; V294-V308 HydrophobicContact CG1-CG2 4.24Å; I306-V308 HydrophobicContact CG2-CG2 4.34Å; V308-M310 HydrophobicContact CG1-SD 4Å
309	L	98.4	Very high	97.6	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.063	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.2	-174.2	-59.9	173.5	0	0	0	109.8	I53 W178 F251 P258 M307	I53-L309 HydrophobicContact CB-CD2 4.01Å; I53-L309 HydrophobicContact CG1-CD2 4.21Å; I53-L309 HydrophobicContact CG2-CD2 4.33Å; W178-L309 HydrophobicContact CH2-CD2 3.74Å; W178-L309 HydrophobicContact CZ2-CD2 4.23Å; F251-L309 HydrophobicContact CD1-CD1 3.91Å; F251-L309 HydrophobicContact CD2-CD1 3.48Å; F251-L309 VanDerWaalsContact CD2-CD1 3.48Å; F251-L309 HydrophobicContact CE1-CD1 3.88Å; F251-L309 HydrophobicContact CE1-CD2 4.22Å; F251-L309 HydrophobicContact CE2-CD1 3.43Å; F251-L309 VanDerWaalsContact CE2-CD1 3.43Å; F251-L309 HydrophobicContact CG-CD1 3.73Å; F251-L309 HydrophobicContact CZ-CD1 3.66Å; F251-L309 HydrophobicContact CZ-CD2 4.08Å; P258-L309 VanDerWaalsContact CD-O 3.25Å; P258-L309 WeakPolarHBondContact CD-O 3.42Å; M307-L309 HydrophobicContact CG-CD2 3.98Å; M307-L309 HydrophobicContact SD-CD2 3.66Å
310	M	98.2	Very high	97.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	69.3	-178.1	-61.5	-59.7	-61.7	0	0	108.5	L52 I53 P54 H55 Y257 F263 V308 Y316 M326	L52-M310 HydrophobicContact CB-CG 4.09Å; L52-M310 HydrophobicContact CD2-CG 4.3Å; L52-M310 HydrophobicContact CD2-SD 4.45Å; I53-M310 PolarHBondContact O-N 2.78Å; P54-M310 WeakPolarHBondContact CA-O 3.21Å; H55-M310 PolarHBondContact N-O 2.86Å; Y257-M310 HydrophobicContact CD1-CB 4.47Å; Y257-M310 HydrophobicContact CD1-CE 3.99Å; Y257-M310 HydrophobicContact CD1-SD 4.41Å; Y257-M310 HydrophobicContact CE1-CB 4.24Å; Y257-M310 HydrophobicContact CE1-CE 4.24Å; F263-M310 HydrophobicContact CD2-CE 3.52Å; F263-M310 HydrophobicContact CE2-CE 3.85Å; F263-M310 HydrophobicContact CG-CE 4.41Å; V308-M310 HydrophobicContact CG1-SD 4Å; M310-Y316 WeakPolarHBondContact O-CE2 3.42Å; M310-Y316 PolarHBondContact O-OH 2.94Å; M310-M326 HydrophobicContact CB-CE 4.13Å; M310-M326 HydrophobicContact CB-SD 3.94Å; M310-M326 HydrophobicContact CE-CG 4Å; M310-M326 HydrophobicContact CE-SD 4.32Å; M310-M326 HydrophobicContact CG-CE 3.84Å; M310-M326 HydrophobicContact CG-SD 4.15Å
311	G	97.7	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.			trans	-172.3	175.6	-175.5	0	0	0	0	0	110.2	H55 C256 Y257	H55-G311 WeakPolarHBondContact O-CA 3.02Å; C256-G311 CarbonylContact C-O 3.59Å; C256-G311 VanDerWaalsContact C-O 3.23Å; C256-G311 WeakPolarHBondContact CA-O 3.43Å; Y257-G311 VanDerWaalsContact CD2-O 3.32Å; Y257-G311 WeakPolarHBondContact CD2-O 3.37Å; Y257-G311 VanDerWaalsContact CE1-N 3.31Å; Y257-G311 PolarHBondContact N-O 3.14Å
312	C	96.9	Very high	97.4	Very high	18 Å²	18	25.8 Å²	25.8	12%	0.122	13%	0.129	C	C	.	.			trans	-170.2	-170.4	168.6	-162.2	0	0	0	0	106.9	H57 C256 Y257 F314 T315	H57-C312 PolarHBondContact N-O 3.16Å; C256-C312 HydrophobicContact CB-CB 3.66Å; C256-C312 WeakPolarHBondContact CB-SG 3.46Å; C256-C312 WeakPolarHBondContact SG-CB 3.28Å; C256-C312 CovalentContact SG-SG 2.04Å; C256-C312 PolarHBondContact SG-SG 2.97Å; Y257-C312 HydrophobicContact CD2-CB 4.12Å; Y257-C312 HydrophobicContact CE2-CB 4.16Å; C312-F314 PolarHBondContact O-N 3.49Å; C312-T315 HydrophobicContact CB-CG2 3.76Å; C312-T315 PolarHBondContact N-OG1 2.91Å; C312-T315 PolarHBondContact O-OG1 2.54Å
313	D	96.7	Very high	97.5	Very high	38 Å²	38	22.4 Å²	22.4	20%	0.203	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-54.5	122.8	177.1	-53.2	-18.7	0	0	0	111.5	H57 Y255 T315	H57-D313 IonicContact CD2-OD1 2.79Å; H57-D313 PolarHBondContact CD2-OD1 2.05Å; H57-D313 CarbonylContact O-C 3.56Å; H57-D313 WeakPolarHBondContact O-CA 3.42Å; Y255-D313 WeakPolarHBondContact CE2-OD1 3.46Å; Y255-D313 VanDerWaalsContact CZ-OD1 3.26Å; Y255-D313 PolarHBondContact OH-OD1 3.28Å; Y255-D313 PolarHBondContact OH-OD2 3Å; D313-T315 VanDerWaalsContact C-N 3.26Å; D313-T315 PolarHBondContact O-N 3.45Å; D313-T315 VanDerWaalsContact O-N 3.17Å
314	F	97.1	Very high	97.4	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.026	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	39.4	173.7	-54.1	-81.6	0	0	0	115	H57 D58 D59 Y69 A80 V82 I85 C312	H57-F314 PolarHBondContact O-N 3.04Å; D58-F314 HydrophobicContact CB-CD1 4.36Å; D58-F314 HydrophobicContact CB-CE1 4.11Å; D59-F314 HydrophobicContact CB-CE2 4.31Å; D59-F314 HydrophobicContact CB-CZ 3.89Å; Y69-F314 AromaticContact CD1-CD1 3.95Å; Y69-F314 HydrophobicContact CD1-CD1 3.95Å; Y69-F314 HydrophobicContact CD1-CD2 4.34Å; Y69-F314 AromaticContact CD1-CE1 3.32Å; Y69-F314 HydrophobicContact CD1-CE1 3.32Å; Y69-F314 AromaticContact CD1-CE2 3.81Å; Y69-F314 HydrophobicContact CD1-CE2 3.81Å; Y69-F314 HydrophobicContact CD1-CG 4.41Å; Y69-F314 AromaticContact CD1-CZ 3.24Å; Y69-F314 HydrophobicContact CD1-CZ 3.24Å; Y69-F314 HydrophobicContact CD2-CE1 4.33Å; Y69-F314 AromaticContact CD2-CZ 3.92Å; Y69-F314 HydrophobicContact CD2-CZ 3.92Å; Y69-F314 HydrophobicContact CE1-CD1 4.41Å; Y69-F314 AromaticContact CE1-CD2 3.99Å; Y69-F314 HydrophobicContact CE1-CD2 3.99Å; Y69-F314 AromaticContact CE1-CE1 3.82Å; Y69-F314 HydrophobicContact CE1-CE1 3.82Å; Y69-F314 AromaticContact CE1-CE2 3.35Å; Y69-F314 HydrophobicContact CE1-CE2 3.35Å; Y69-F314 HydrophobicContact CE1-CG 4.48Å; Y69-F314 AromaticContact CE1-CZ 3.24Å; Y69-F314 HydrophobicContact CE1-CZ 3.24Å; Y69-F314 HydrophobicContact CE2-CE2 4.45Å; Y69-F314 AromaticContact CE2-CZ 3.89Å; Y69-F314 HydrophobicContact CE2-CZ 3.89Å; Y69-F314 AromaticContact CG-CE1 3.63Å; Y69-F314 HydrophobicContact CG-CE1 3.63Å; Y69-F314 AromaticContact CG-CZ 3.61Å; Y69-F314 HydrophobicContact CG-CZ 3.61Å; Y69-F314 AromaticContact CZ-CE2 3.72Å; Y69-F314 AromaticContact CZ-CZ 3.58Å; A80-F314 HydrophobicContact CB-CB 3.47Å; A80-F314 VanDerWaalsContact CB-CB 3.47Å; A80-F314 HydrophobicContact CB-CD1 3.7Å; A80-F314 HydrophobicContact CB-CD2 3.9Å; A80-F314 HydrophobicContact CB-CE1 4.4Å; A80-F314 HydrophobicContact CB-CG 3.39Å; V82-F314 HydrophobicContact CG2-CD1 4.02Å; V82-F314 HydrophobicContact CG2-CE1 4.05Å; I85-F314 HydrophobicContact CD1-CB 4.33Å; C312-F314 PolarHBondContact O-N 3.49Å
315	T	97	Very high	97.4	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.031	11%	0.109	C	C	.	.			trans	-90.4	168.7	179	55.2	0	0	0	0	111.5	T56 I85 Y257 D264 C312 D313	T56-T315 PolarHBondContact OG1-N 3.2Å; T56-T315 PolarHBondContact OG1-O 3.05Å; I85-T315 WeakPolarHBondContact CD1-O 3.46Å; I85-T315 WeakPolarHBondContact CG1-O 3.44Å; I85-T315 WeakPolarHBondContact CG2-O 3.37Å; Y257-T315 HydrophobicContact CE2-CG2 3.74Å; D264-T315 HydrophobicContact CB-CG2 4.44Å; C312-T315 HydrophobicContact CB-CG2 3.76Å; C312-T315 PolarHBondContact N-OG1 2.91Å; C312-T315 PolarHBondContact O-OG1 2.54Å; D313-T315 VanDerWaalsContact C-N 3.26Å; D313-T315 PolarHBondContact O-N 3.45Å; D313-T315 VanDerWaalsContact O-N 3.17Å
316	Y	97.9	Very high	97.4	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	11%	0.105	C	C	.	.			trans	75.3	22	-175	-64.5	-108	0	0	0	115.2	P54 H55 I85 S88 V89 F101 Y257 D264 M310 N318 A319 N322 Y323	P54-Y316 WeakPolarHBondContact CA-OH 3.34Å; P54-Y316 HydrophobicContact CB-CE1 4.33Å; P54-Y316 WeakPolarHBondContact CB-OH 3.24Å; H55-Y316 WeakPolarHBondContact O-CE2 3.39Å; I85-Y316 WeakPolarHBondContact CA-O 3.42Å; S88-Y316 PolarHBondContact OG-O 2.9Å; V89-Y316 HydrophobicContact CG2-CD1 4.05Å; V89-Y316 HydrophobicContact CG2-CG 4.23Å; F101-Y316 HydrophobicContact CD2-CD1 4.32Å; F101-Y316 HydrophobicContact CD2-CE1 4.16Å; F101-Y316 AromaticContact CE2-CD1 3.68Å; F101-Y316 HydrophobicContact CE2-CD1 3.68Å; F101-Y316 AromaticContact CE2-CD2 3.81Å; F101-Y316 HydrophobicContact CE2-CD2 3.81Å; F101-Y316 AromaticContact CE2-CE1 3.78Å; F101-Y316 HydrophobicContact CE2-CE1 3.78Å; F101-Y316 AromaticContact CE2-CE2 3.92Å; F101-Y316 HydrophobicContact CE2-CE2 3.92Å; F101-Y316 AromaticContact CE2-CG 3.72Å; F101-Y316 HydrophobicContact CE2-CG 3.72Å; F101-Y316 AromaticContact CE2-CZ 3.92Å; F101-Y316 HydrophobicContact CZ-CD2 4.29Å; F101-Y316 HydrophobicContact CZ-CG 4.23Å; Y257-Y316 VanDerWaalsContact OH-CE2 3.32Å; Y257-Y316 WeakPolarHBondContact OH-CE2 3.34Å; D264-Y316 PolarHBondContact OD1-N 2.79Å; M310-Y316 WeakPolarHBondContact O-CE2 3.42Å; M310-Y316 PolarHBondContact O-OH 2.94Å; Y316-N318 PolarHBondContact O-N 3.27Å; Y316-N318 VanDerWaalsContact O-N 3.11Å; Y316-A319 HydrophobicContact CD1-CB 3.77Å; Y316-A319 HydrophobicContact CG-CB 4.5Å; Y316-A319 PolarHBondContact O-N 3.24Å; Y316-N322 HydrophobicContact CD1-CB 3.84Å; Y316-N322 HydrophobicContact CE1-CB 3.48Å; Y316-N322 VanDerWaalsContact CE1-CB 3.48Å; Y316-Y323 HydrophobicContact CD1-CE2 4.27Å; Y316-Y323 HydrophobicContact CE1-CD2 4.45Å; Y316-Y323 HydrophobicContact CE1-CE2 4.03Å
317	E	96.4	Very high	97.4	Very high	33 Å²	33	22.4 Å²	22.4	15%	0.154	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.8	167.7	-77.2	-170.9	171.9	0	0	111.6	R79 A80 S81 I85 S88	R79-E317 IonicContact CZ-OE2 3.48Å; R79-E317 IonicContact NE-OE2 3.85Å; R79-E317 PolarHBondContact NE-OE2 3.26Å; R79-E317 IonicContact NH2-OE2 2.78Å; R79-E317 PolarHBondContact NH2-OE2 3.44Å; A80-E317 WeakPolarHBondContact CA-OE1 2.86Å; S81-E317 PolarHBondContact N-OE1 2.88Å; I85-E317 HydrophobicContact CG1-CG 4.03Å; S88-E317 PolarHBondContact OG-O 2.89Å
318	N	95.9	Very high	97.4	Very high	68 Å²	68	23.1 Å²	23.1	36%	0.364	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	71.8	169.8	-177.3	3.3	0	0	0	110.4	A265 Y316 H320 M321 N322	A265-N318 HydrophobicContact CB-CB 4.32Å; Y316-N318 PolarHBondContact O-N 3.27Å; Y316-N318 VanDerWaalsContact O-N 3.11Å; N318-H320 PolarHBondContact O-N 3.35Å; N318-M321 WeakPolarHBondContact O-CB 3.19Å; N318-M321 PolarHBondContact O-N 3.08Å; N318-N322 PolarHBondContact O-OD1 3.08Å
319	A	98	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-52.9	-27.1	-178.3	0	0	0	0	0	114.3	S88 V89 A92 Y316 M321 N322 Y323	S88-A319 VanDerWaalsContact OG-CB 3.27Å; S88-A319 WeakPolarHBondContact OG-CB 3.17Å; S88-A319 PolarHBondContact OG-N 3.43Å; V89-A319 HydrophobicContact CB-CB 4.44Å; V89-A319 HydrophobicContact CG2-CB 3.85Å; A92-A319 HydrophobicContact CB-CB 3.95Å; Y316-A319 HydrophobicContact CD1-CB 3.77Å; Y316-A319 HydrophobicContact CG-CB 4.5Å; Y316-A319 PolarHBondContact O-N 3.24Å; A319-M321 PolarHBondContact O-N 3.16Å; A319-N322 PolarHBondContact O-N 2.91Å; A319-Y323 HydrophobicContact CB-CD2 4.08Å; A319-Y323 HydrophobicContact CB-CE2 4.14Å; A319-Y323 WeakPolarHBondContact O-CD2 3.22Å; A319-Y323 PolarHBondContact O-N 2.85Å
320	H	96.4	Very high	97.4	Very high	116 Å²	116	23.7 Å²	23.7	54%	0.537	12%	0.12	S	C	.	.	H	α-helix	trans	-57.1	-39.4	176.3	175.4	-86.4	0	0	0	111.9	N318 N324	N318-H320 PolarHBondContact O-N 3.35Å; H320-N324 WeakPolarHBondContact O-CB 3.29Å; H320-N324 PolarHBondContact O-N 3.44Å
321	M	95.5	Very high	97.4	Very high	49 Å²	49	28.8 Å²	28.8	24%	0.241	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-47	176.9	-173.6	-179.4	-64.9	0	0	111.4	A265 N318 A319 N324 N325	A265-M321 VanDerWaalsContact CA-SD 3.54Å; A265-M321 HydrophobicContact CB-CE 4.16Å; A265-M321 HydrophobicContact CB-SD 4.24Å; N318-M321 WeakPolarHBondContact O-CB 3.19Å; N318-M321 PolarHBondContact O-N 3.08Å; A319-M321 PolarHBondContact O-N 3.16Å; M321-N324 PolarHBondContact O-N 3.22Å; M321-N325 PolarHBondContact O-N 3.09Å; M321-N325 PolarHBondContact O-ND2 3.05Å
322	N	97.6	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-53.6	179.3	-49.9	64.4	0	0	0	110	Y257 F263 D264 Y316 N318 A319 N324 N325 M326	Y257-N322 PolarHBondContact OH-ND2 2.76Å; F263-N322 WeakPolarHBondContact O-CA 3.24Å; F263-N322 VanDerWaalsContact O-CG 3.3Å; F263-N322 PolarHBondContact O-N 3.26Å; F263-N322 PolarHBondContact O-ND2 3.08Å; D264-N322 PolarHBondContact OD1-ND2 3.04Å; Y316-N322 HydrophobicContact CD1-CB 3.84Å; Y316-N322 HydrophobicContact CE1-CB 3.48Å; Y316-N322 VanDerWaalsContact CE1-CB 3.48Å; N318-N322 PolarHBondContact O-OD1 3.08Å; A319-N322 PolarHBondContact O-N 2.91Å; N322-N324 PolarHBondContact O-N 3.39Å; N322-N325 PolarHBondContact O-N 3.01Å; N322-M326 WeakPolarHBondContact O-CB 3.5Å; N322-M326 VanDerWaalsContact O-CG 3.3Å; N322-M326 WeakPolarHBondContact O-CG 3.49Å; N322-M326 PolarHBondContact O-N 2.84Å
323	Y	98.4	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-35.6	-177.2	-77.1	-65.9	0	0	0	113.9	P54 A92 L93 R99 K100 F101 Y316 A319 N325 M326 D327 Y347	P54-Y323 HydrophobicContact CB-CE1 4.43Å; P54-Y323 HydrophobicContact CG-CE1 4.23Å; A92-Y323 HydrophobicContact CB-CD2 3.38Å; A92-Y323 HydrophobicContact CB-CE2 3.73Å; A92-Y323 HydrophobicContact CB-CG 4.35Å; L93-Y323 WeakPolarHBondContact CD2-OH 3.42Å; R99-Y323 HydrophobicContact CB-CD1 3.98Å; R99-Y323 HydrophobicContact CB-CE1 3.71Å; R99-Y323 HydrophobicContact CG-CD1 3.61Å; R99-Y323 HydrophobicContact CG-CE1 3.91Å; R99-Y323 HydrophobicContact CG-CG 4.26Å; K100-Y323 PolarHBondContact O-OH 3.31Å; F101-Y323 WeakPolarHBondContact CB-OH 3.28Å; F101-Y323 WeakPolarHBondContact CD2-OH 3.37Å; Y316-Y323 HydrophobicContact CD1-CE2 4.27Å; Y316-Y323 HydrophobicContact CE1-CD2 4.45Å; Y316-Y323 HydrophobicContact CE1-CE2 4.03Å; A319-Y323 HydrophobicContact CB-CD2 4.08Å; A319-Y323 HydrophobicContact CB-CE2 4.14Å; A319-Y323 WeakPolarHBondContact O-CD2 3.22Å; A319-Y323 PolarHBondContact O-N 2.85Å; Y323-N325 VanDerWaalsContact C-N 3.32Å; Y323-N325 PolarHBondContact O-N 2.89Å; Y323-M326 PolarHBondContact O-N 3.24Å; Y323-D327 VanDerWaalsContact O-CB 3.26Å; Y323-D327 WeakPolarHBondContact O-CB 3.06Å; Y323-D327 PolarHBondContact O-N 2.99Å; Y323-Y347 AromaticContact CD1-CE1 3.75Å; Y323-Y347 HydrophobicContact CD1-CE1 3.75Å; Y323-Y347 AromaticContact CD1-CZ 3.91Å; Y323-Y347 HydrophobicContact CE1-CD1 4.48Å; Y323-Y347 AromaticContact CE1-CE1 3.76Å; Y323-Y347 HydrophobicContact CE1-CE1 3.76Å
324	N	96.8	Very high	97.6	Very high	61 Å²	61	29.8 Å²	29.8	33%	0.326	14%	0.144	S	C	.	.	H	α-helix	trans	-61.2	-42.9	176.2	179.6	52.9	0	0	0	111.5	H320 M321 N322 K328	H320-N324 WeakPolarHBondContact O-CB 3.29Å; H320-N324 PolarHBondContact O-N 3.44Å; M321-N324 PolarHBondContact O-N 3.22Å; N322-N324 PolarHBondContact O-N 3.39Å; N324-K328 WeakPolarHBondContact O-CG 3.23Å; N324-K328 PolarHBondContact O-N 3.15Å
325	N	97.4	Very high	97.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-72.1	-39.3	177	-71.9	-54.6	0	0	0	112.2	F263 S271 I272 M321 N322 Y323 K328 L329	F263-N325 HydrophobicContact CB-CB 3.8Å; F263-N325 HydrophobicContact CD1-CB 3.71Å; F263-N325 HydrophobicContact CD2-CB 3.6Å; F263-N325 HydrophobicContact CE1-CB 4.13Å; F263-N325 HydrophobicContact CE2-CB 4.02Å; F263-N325 HydrophobicContact CG-CB 3.43Å; F263-N325 VanDerWaalsContact CG-CB 3.43Å; F263-N325 HydrophobicContact CZ-CB 4.27Å; S271-N325 WeakPolarHBondContact CA-OD1 3.45Å; I272-N325 WeakPolarHBondContact CD1-O 3.25Å; I272-N325 PolarHBondContact N-OD1 3.04Å; M321-N325 PolarHBondContact O-N 3.09Å; M321-N325 PolarHBondContact O-ND2 3.05Å; N322-N325 PolarHBondContact O-N 3.01Å; Y323-N325 VanDerWaalsContact C-N 3.32Å; Y323-N325 PolarHBondContact O-N 2.89Å; N325-K328 PolarHBondContact O-N 2.91Å; N325-L329 WeakPolarHBondContact O-CB 3.25Å; N325-L329 PolarHBondContact O-N 3.03Å
326	M	98.2	Very high	97.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-41.6	174.5	-73.8	-173.6	67.9	0	0	113	L52 P54 F263 M310 N322 Y323 K328 L329 I330 Y347	L52-M326 HydrophobicContact CB-CE 3.56Å; L52-M326 HydrophobicContact CD1-CE 3.51Å; L52-M326 HydrophobicContact CG-CE 4.15Å; P54-M326 HydrophobicContact CG-CE 3.68Å; P54-M326 HydrophobicContact CG-SD 3.96Å; F263-M326 HydrophobicContact CD2-CG 3.95Å; F263-M326 HydrophobicContact CE2-CG 4.45Å; M310-M326 HydrophobicContact CB-CE 4.13Å; M310-M326 HydrophobicContact CB-SD 3.94Å; M310-M326 HydrophobicContact CE-CG 4Å; M310-M326 HydrophobicContact CE-SD 4.32Å; M310-M326 HydrophobicContact CG-CE 3.84Å; M310-M326 HydrophobicContact CG-SD 4.15Å; N322-M326 WeakPolarHBondContact O-CB 3.5Å; N322-M326 VanDerWaalsContact O-CG 3.3Å; N322-M326 WeakPolarHBondContact O-CG 3.49Å; N322-M326 PolarHBondContact O-N 2.84Å; Y323-M326 PolarHBondContact O-N 3.24Å; M326-K328 VanDerWaalsContact C-N 3.31Å; M326-K328 PolarHBondContact O-N 3.01Å; M326-L329 PolarHBondContact O-N 3.43Å; M326-I330 WeakPolarHBondContact O-CG1 3.45Å; M326-I330 PolarHBondContact O-N 2.84Å; M326-Y347 HydrophobicContact CB-CE1 4.11Å; M326-Y347 VanDerWaalsContact CB-OH 3.3Å; M326-Y347 WeakPolarHBondContact CB-OH 3.17Å; M326-Y347 HydrophobicContact CE-CD1 3.76Å; M326-Y347 HydrophobicContact CE-CE1 3.32Å; M326-Y347 HydrophobicContact SD-CE1 4.02Å
327	D	98.6	Very high	97.7	Very high	39 Å²	39	36.1 Å²	36.1	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-44.2	176	-74.3	-18.4	0	0	0	110.5	R99 Y323 K331 Y347	R99-D327 IonicContact CZ-OD2 3.22Å; R99-D327 IonicContact NE-OD1 2.66Å; R99-D327 IonicContact NE-OD2 3.56Å; R99-D327 PolarHBondContact NE-OD2 3.36Å; R99-D327 IonicContact NH2-OD2 3.9Å; R99-D327 PolarHBondContact NH2-OD2 3.37Å; Y323-D327 VanDerWaalsContact O-CB 3.26Å; Y323-D327 WeakPolarHBondContact O-CB 3.06Å; Y323-D327 PolarHBondContact O-N 2.99Å; D327-K331 VanDerWaalsContact O-CB 3.28Å; D327-K331 WeakPolarHBondContact O-CB 3.42Å; D327-K331 PolarHBondContact O-N 3.38Å; D327-Y347 PolarHBondContact N-OH 3.49Å; D327-Y347 VanDerWaalsContact OD1-CE2 3.28Å; D327-Y347 WeakPolarHBondContact OD1-CE2 3.49Å; D327-Y347 PolarHBondContact OD1-OH 3.01Å
328	K	98.4	Very high	97.7	Very high	33 Å²	33	41.7 Å²	41.7	14%	0.143	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-45.3	174.4	-70.5	177.3	-174.6	-163.1	0	111.9	I272 D274 N324 N325 M326 K331 Y332	I272-K328 HydrophobicContact CB-CB 4.19Å; I272-K328 HydrophobicContact CB-CD 3.91Å; I272-K328 HydrophobicContact CD1-CB 4.06Å; I272-K328 HydrophobicContact CG2-CB 4.05Å; I272-K328 HydrophobicContact CG2-CD 4.01Å; I272-K328 WeakPolarHBondContact O-CD 3.42Å; I272-K328 PolarHBondContact O-NZ 3.11Å; D274-K328 WeakPolarHBondContact OD1-CE 3.22Å; D274-K328 IonicContact OD1-NZ 2.77Å; D274-K328 PolarHBondContact OD1-NZ 2.79Å; D274-K328 WeakPolarHBondContact OD2-CE 3.43Å; D274-K328 IonicContact OD2-NZ 3.45Å; N324-K328 WeakPolarHBondContact O-CG 3.23Å; N324-K328 PolarHBondContact O-N 3.15Å; N325-K328 PolarHBondContact O-N 2.91Å; M326-K328 VanDerWaalsContact C-N 3.31Å; M326-K328 PolarHBondContact O-N 3.01Å; K328-K331 PolarHBondContact O-N 2.78Å; K328-Y332 HydrophobicContact CB-CD2 4.1Å; K328-Y332 HydrophobicContact CB-CE2 4.1Å; K328-Y332 HydrophobicContact CG-CE2 4.29Å; K328-Y332 WeakPolarHBondContact O-CB 3.48Å; K328-Y332 WeakPolarHBondContact O-CD2 3.37Å; K328-Y332 PolarHBondContact O-N 3.22Å
329	L	98.5	Very high	97.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-50.5	178.9	-177.5	66.7	0	0	0	111.2	L52 F263 I272 V286 F290 N325 M326 K331 Y332 V333	L52-L329 HydrophobicContact CD1-CD2 4.44Å; F263-L329 HydrophobicContact CE2-CB 4.31Å; F263-L329 HydrophobicContact CE2-CD2 3.91Å; F263-L329 HydrophobicContact CZ-CD2 4.3Å; I272-L329 HydrophobicContact CD1-CB 3.92Å; I272-L329 HydrophobicContact CD1-CD1 4.45Å; V286-L329 HydrophobicContact CG1-CD1 4.18Å; F290-L329 HydrophobicContact CB-CD1 4.06Å; F290-L329 HydrophobicContact CD1-CD1 4.23Å; F290-L329 HydrophobicContact CD2-CD1 4.1Å; F290-L329 HydrophobicContact CD2-CD2 3.91Å; F290-L329 HydrophobicContact CE2-CD2 3.74Å; F290-L329 HydrophobicContact CG-CD1 3.86Å; F290-L329 HydrophobicContact CG-CD2 4.38Å; F290-L329 HydrophobicContact CZ-CD2 4.07Å; N325-L329 WeakPolarHBondContact O-CB 3.25Å; N325-L329 PolarHBondContact O-N 3.03Å; M326-L329 PolarHBondContact O-N 3.43Å; L329-K331 PolarHBondContact O-N 3.38Å; L329-Y332 PolarHBondContact O-N 2.73Å; L329-V333 HydrophobicContact CD1-CG2 3.8Å; L329-V333 HydrophobicContact CG-CG2 4.32Å; L329-V333 WeakPolarHBondContact O-CB 3.48Å; L329-V333 VanDerWaalsContact O-CG2 3.22Å; L329-V333 WeakPolarHBondContact O-CG2 3.23Å; L329-V333 PolarHBondContact O-N 2.82Å
330	I	98.6	Very high	97.6	Very high	26 Å²	26	54.3 Å²	54.3	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-50.3	177.1	-71.1	166.1	0	0	0	110.2	L52 M326 N334 V345 Y347	L52-I330 HydrophobicContact CD1-CD1 4.02Å; L52-I330 HydrophobicContact CD1-CG1 3.78Å; M326-I330 WeakPolarHBondContact O-CG1 3.45Å; M326-I330 PolarHBondContact O-N 2.84Å; I330-N334 WeakPolarHBondContact O-CB 3.24Å; I330-N334 PolarHBondContact O-N 2.72Å; I330-N334 PolarHBondContact O-ND2 3.45Å; I330-V345 HydrophobicContact CG1-CB 4.38Å; I330-V345 HydrophobicContact CG1-CG1 3.87Å; I330-Y347 HydrophobicContact CD1-CD1 4.3Å; I330-Y347 HydrophobicContact CD1-CD2 3.46Å; I330-Y347 VanDerWaalsContact CD1-CD2 3.46Å; I330-Y347 HydrophobicContact CD1-CE1 4.19Å; I330-Y347 HydrophobicContact CD1-CE2 3.31Å; I330-Y347 HydrophobicContact CD1-CG 3.95Å
331	K	98.5	Very high	97.6	Very high	107 Å²	107	49.7 Å²	49.7	47%	0.465	23%	0.234	S	C	.	.	H	α-helix	trans	-56.7	-57.5	180	177.4	-170.9	173.2	-165.8	0	111.5	D327 K328 L329 N334 D335	D327-K331 VanDerWaalsContact O-CB 3.28Å; D327-K331 WeakPolarHBondContact O-CB 3.42Å; D327-K331 PolarHBondContact O-N 3.38Å; K328-K331 PolarHBondContact O-N 2.78Å; L329-K331 PolarHBondContact O-N 3.38Å; K331-N334 PolarHBondContact O-N 3.15Å; K331-D335 WeakPolarHBondContact O-CB 3.24Å; K331-D335 PolarHBondContact O-N 3.23Å
332	Y	98.5	Very high	97.7	Very high	41 Å²	41	51.2 Å²	51.2	16%	0.161	24%	0.243	C	C	.	.	H	α-helix	trans	-75	-29.6	-170.5	-68.6	-61.6	0	0	0	113.7	D274 V283 K328 L329 Q336	D274-Y332 HydrophobicContact CB-CE2 3.59Å; D274-Y332 WeakPolarHBondContact CB-OH 3.19Å; D274-Y332 PolarHBondContact OD2-OH 2.92Å; V283-Y332 HydrophobicContact CG1-CD1 3.77Å; V283-Y332 HydrophobicContact CG1-CD2 3.82Å; V283-Y332 HydrophobicContact CG1-CE1 4.35Å; V283-Y332 HydrophobicContact CG1-CE2 4.44Å; V283-Y332 HydrophobicContact CG1-CG 3.5Å; V283-Y332 VanDerWaalsContact CG1-CG 3.5Å; V283-Y332 HydrophobicContact CG2-CD2 4.03Å; V283-Y332 HydrophobicContact CG2-CE2 4.03Å; K328-Y332 HydrophobicContact CB-CD2 4.1Å; K328-Y332 HydrophobicContact CB-CE2 4.1Å; K328-Y332 HydrophobicContact CG-CE2 4.29Å; K328-Y332 WeakPolarHBondContact O-CB 3.48Å; K328-Y332 WeakPolarHBondContact O-CD2 3.37Å; K328-Y332 PolarHBondContact O-N 3.22Å; L329-Y332 PolarHBondContact O-N 2.73Å; Y332-Q336 PolarHBondContact O-NE2 2.79Å
333	V	98.6	Very high	97.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.6	-44.2	171.8	177.6	0	0	0	0	110.6	V287 F290 I291 L329 D335 Q336 V343 V345	V287-V333 HydrophobicContact CG1-CG2 4.27Å; V287-V333 HydrophobicContact CG2-CG2 4.19Å; F290-V333 HydrophobicContact CD1-CG1 4.28Å; F290-V333 HydrophobicContact CD1-CG2 3.74Å; F290-V333 HydrophobicContact CE1-CG2 4.42Å; F290-V333 HydrophobicContact CG-CG2 4.41Å; I291-V333 HydrophobicContact CD1-CG1 4.36Å; I291-V333 HydrophobicContact CG1-CG1 4.07Å; L329-V333 HydrophobicContact CD1-CG2 3.8Å; L329-V333 HydrophobicContact CG-CG2 4.32Å; L329-V333 WeakPolarHBondContact O-CB 3.48Å; L329-V333 VanDerWaalsContact O-CG2 3.22Å; L329-V333 WeakPolarHBondContact O-CG2 3.23Å; L329-V333 PolarHBondContact O-N 2.82Å; V333-D335 VanDerWaalsContact C-N 3.28Å; V333-D335 PolarHBondContact O-N 3.09Å; V333-Q336 VanDerWaalsContact O-CB 3.27Å; V333-Q336 WeakPolarHBondContact O-CB 3.26Å; V333-Q336 PolarHBondContact O-N 2.95Å; V333-Q336 VanDerWaalsContact O-N 3.08Å; V333-V343 HydrophobicContact CG1-CB 4.43Å; V333-V343 HydrophobicContact CG1-CG1 3.91Å; V333-V345 HydrophobicContact CB-CG2 3.87Å; V333-V345 HydrophobicContact CG1-CG2 3.44Å; V333-V345 VanDerWaalsContact CG1-CG2 3.44Å
334	N	98.5	Very high	97.8	Very high	36 Å²	36	51.4 Å²	51.4	19%	0.193	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-29.1	177.2	-71.8	-16.5	0	0	0	112.5	I330 K331 Q336 Q337 N344 V345	I330-N334 WeakPolarHBondContact O-CB 3.24Å; I330-N334 PolarHBondContact O-N 2.72Å; I330-N334 PolarHBondContact O-ND2 3.45Å; K331-N334 PolarHBondContact O-N 3.15Å; N334-Q336 PolarHBondContact O-N 3.28Å; N334-Q337 WeakPolarHBondContact O-CB 3.42Å; N334-Q337 WeakPolarHBondContact O-CG 3.42Å; N334-Q337 PolarHBondContact O-N 2.87Å; N334-Q337 PolarHBondContact OD1-NE2 3.38Å; N334-N344 WeakPolarHBondContact OD1-CA 3.41Å; N334-V345 PolarHBondContact ND2-O 3.21Å; N334-V345 PolarHBondContact OD1-N 3.43Å
335	D	98.1	Very high	97.8	Very high	49 Å²	49	48.6 Å²	48.6	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-61.7	-25.5	171.7	-86.9	-32.2	0	0	0	112.6	K331 V333 Q337 K338	K331-D335 WeakPolarHBondContact O-CB 3.24Å; K331-D335 PolarHBondContact O-N 3.23Å; V333-D335 VanDerWaalsContact C-N 3.28Å; V333-D335 PolarHBondContact O-N 3.09Å; D335-Q337 PolarHBondContact O-N 2.72Å; D335-Q337 VanDerWaalsContact O-N 3.14Å; D335-K338 WeakPolarHBondContact O-CB 3.24Å; D335-K338 WeakPolarHBondContact O-CG 3.45Å; D335-K338 PolarHBondContact O-N 3.29Å; D335-K338 VanDerWaalsContact O-N 3.11Å; D335-K338 IonicContact OD1-NZ 2.73Å; D335-K338 PolarHBondContact OD1-NZ 3.25Å
336	Q	97.9	Very high	97.9	Very high	57 Å²	57	48.8 Å²	48.8	27%	0.266	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-65.7	-13.1	174.2	-56.8	-55.6	-52.4	0	0	113.3	V287 I291 Y332 V333 N334 K338 Y339 S341	V287-Q336 HydrophobicContact CG1-CG 3.5Å; V287-Q336 VanDerWaalsContact CG1-CG 3.5Å; I291-Q336 HydrophobicContact CD1-CB 4.29Å; I291-Q336 HydrophobicContact CD1-CG 4Å; Y332-Q336 PolarHBondContact O-NE2 2.79Å; V333-Q336 VanDerWaalsContact O-CB 3.27Å; V333-Q336 WeakPolarHBondContact O-CB 3.26Å; V333-Q336 PolarHBondContact O-N 2.95Å; V333-Q336 VanDerWaalsContact O-N 3.08Å; N334-Q336 PolarHBondContact O-N 3.28Å; Q336-K338 PolarHBondContact O-N 3.31Å; Q336-Y339 CarbonylContact O-C 3.6Å; Q336-Y339 WeakPolarHBondContact O-CA 3.34Å; Q336-Y339 PolarHBondContact O-N 3.21Å; Q336-S341 VanDerWaalsContact C-CB 3.5Å; Q336-S341 WeakPolarHBondContact O-CB 3.4Å; Q336-S341 PolarHBondContact O-N 3.46Å; Q336-S341 VanDerWaalsContact O-N 3.09Å
337	Q	97.4	Very high	97.9	Very high	38 Å²	38	49.5 Å²	49.5	18%	0.178	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-63.6	-21.7	173.1	-60.6	171.2	13.8	0	0	111.7	Y47 N334 D335 Y339 D340 V343 N344	Y47-Q337 HydrophobicContact CE1-CG 3.91Å; N334-Q337 WeakPolarHBondContact O-CB 3.42Å; N334-Q337 WeakPolarHBondContact O-CG 3.42Å; N334-Q337 PolarHBondContact O-N 2.87Å; N334-Q337 PolarHBondContact OD1-NE2 3.38Å; D335-Q337 PolarHBondContact O-N 2.72Å; D335-Q337 VanDerWaalsContact O-N 3.14Å; Q337-Y339 PolarHBondContact O-N 2.81Å; Q337-D340 PolarHBondContact O-N 3.26Å; Q337-V343 PolarHBondContact NE2-O 3.11Å; Q337-N344 PolarHBondContact NE2-OD1 2.83Å
338	K	96.5	Very high	97.9	Very high	151 Å²	151	47.7 Å²	47.7	66%	0.657	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-68.9	-18.7	170.5	-63.5	165.7	178.8	155.7	0	113	D335 Q336	D335-K338 WeakPolarHBondContact O-CB 3.24Å; D335-K338 WeakPolarHBondContact O-CG 3.45Å; D335-K338 PolarHBondContact O-N 3.29Å; D335-K338 VanDerWaalsContact O-N 3.11Å; D335-K338 IonicContact OD1-NZ 2.73Å; D335-K338 PolarHBondContact OD1-NZ 3.25Å; Q336-K338 PolarHBondContact O-N 3.31Å
339	Y	95.7	Very high	97.9	Very high	174 Å²	174	46.1 Å²	46.1	68%	0.682	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-115.1	36.9	179.8	-51.7	-67.9	0	0	0	110.7	Q336 Q337 S341	Q336-Y339 CarbonylContact O-C 3.6Å; Q336-Y339 WeakPolarHBondContact O-CA 3.34Å; Q336-Y339 PolarHBondContact O-N 3.21Å; Q337-Y339 PolarHBondContact O-N 2.81Å; Y339-S341 PolarHBondContact O-N 3.27Å; Y339-S341 VanDerWaalsContact O-N 3.16Å
340	D	94.8	Very high	97.9	Very high	159 Å²	159	46.1 Å²	46.1	85%	0.85	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	19.2	176.7	-55.7	-46.8	0	0	0	115.9	Q337 N342	Q337-D340 PolarHBondContact O-N 3.26Å; D340-N342 PolarHBondContact O-N 2.61Å
341	S	97.3	Very high	97.9	Very high	18 Å²	18	45 Å²	45	13%	0.126	21%	0.211	C	C	.	.			trans	-69.2	126.5	168.2	-174.8	0	0	0	0	110.5	Q336 Y339 V343	Q336-S341 VanDerWaalsContact C-CB 3.5Å; Q336-S341 WeakPolarHBondContact O-CB 3.4Å; Q336-S341 PolarHBondContact O-N 3.46Å; Q336-S341 VanDerWaalsContact O-N 3.09Å; Y339-S341 PolarHBondContact O-N 3.27Å; Y339-S341 VanDerWaalsContact O-N 3.16Å; S341-V343 VanDerWaalsContact C-N 3.26Å; S341-V343 PolarHBondContact O-N 3.39Å; S341-V343 PolarHBondContact OG-N 3.21Å
342	N	97.4	Very high	97.8	Very high	81 Å²	81	39.9 Å²	39.9	43%	0.433	19%	0.189	S	C	.	.			trans	-87.8	13.6	173.6	71.1	-32.3	0	0	0	113.2	Y47 L48 D340	Y47-N342 CarbonylContact C-O 3.46Å; Y47-N342 WeakPolarHBondContact CA-O 3.09Å; Y47-N342 WeakPolarHBondContact CB-O 3.41Å; Y47-N342 VanDerWaalsContact CD1-O 3.32Å; Y47-N342 WeakPolarHBondContact CD1-O 3.14Å; L48-N342 PolarHBondContact N-O 2.66Å; D340-N342 PolarHBondContact O-N 2.61Å
343	V	98.6	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.5	179	-177.1	0	0	0	0	110.1	L48 I50 I291 V294 V333 Q337 S341 V345	L48-V343 HydrophobicContact CD2-CG2 4.4Å; I50-V343 HydrophobicContact CG1-CG1 3.85Å; I291-V343 HydrophobicContact CG1-CG2 4.48Å; I291-V343 HydrophobicContact CG2-CG2 4.28Å; V294-V343 HydrophobicContact CG2-CG1 4.18Å; V333-V343 HydrophobicContact CG1-CB 4.43Å; V333-V343 HydrophobicContact CG1-CG1 3.91Å; Q337-V343 PolarHBondContact NE2-O 3.11Å; S341-V343 VanDerWaalsContact C-N 3.26Å; S341-V343 PolarHBondContact O-N 3.39Å; S341-V343 PolarHBondContact OG-N 3.21Å; V343-V345 HydrophobicContact CG1-CG2 4.17Å
344	N	98.6	Very high	97.9	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.9	175.5	178.4	65.6	0	0	0	109.7	K44 Y47 L48 N49 I50 N334 Q337	K44-N344 HydrophobicContact CD-CB 4.38Å; K44-N344 VanDerWaalsContact CE-OD1 3.24Å; K44-N344 WeakPolarHBondContact CE-OD1 3.27Å; Y47-N344 HydrophobicContact CD1-CB 3.97Å; Y47-N344 HydrophobicContact CG-CB 4.16Å; L48-N344 PolarHBondContact O-N 3.4Å; N49-N344 CarbonylContact C-O 3.55Å; N49-N344 WeakPolarHBondContact CA-O 3.28Å; N49-N344 PolarHBondContact OD1-ND2 3.21Å; I50-N344 PolarHBondContact N-O 3.08Å; N334-N344 WeakPolarHBondContact OD1-CA 3.41Å; Q337-N344 PolarHBondContact NE2-OD1 2.83Å
345	V	98.7	Very high	97.8	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.5	-178.3	-167.6	0	0	0	0	109.4	I50 L52 F290 I330 V333 N334 V343	I50-V345 HydrophobicContact CB-CB 4.45Å; I50-V345 HydrophobicContact CB-CG1 4.29Å; I50-V345 HydrophobicContact CB-CG2 4.17Å; I50-V345 HydrophobicContact CG1-CG2 4.33Å; I50-V345 HydrophobicContact CG2-CG1 4.43Å; L52-V345 HydrophobicContact CD1-CG1 3.62Å; L52-V345 HydrophobicContact CD2-CG1 3.91Å; L52-V345 HydrophobicContact CG-CG1 3.6Å; F290-V345 HydrophobicContact CE1-CG1 4.42Å; F290-V345 HydrophobicContact CE1-CG2 3.78Å; I330-V345 HydrophobicContact CG1-CB 4.38Å; I330-V345 HydrophobicContact CG1-CG1 3.87Å; V333-V345 HydrophobicContact CB-CG2 3.87Å; V333-V345 HydrophobicContact CG1-CG2 3.44Å; V333-V345 VanDerWaalsContact CG1-CG2 3.44Å; N334-V345 PolarHBondContact ND2-O 3.21Å; N334-V345 PolarHBondContact OD1-N 3.43Å; V343-V345 HydrophobicContact CG1-CG2 4.17Å
346	L	98.4	Very high	97.9	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.7	-179.7	63.6	155.3	0	0	0	111.6	E41 N49 I50 L52	E41-L346 HydrophobicContact CB-CD1 4.21Å; E41-L346 HydrophobicContact CG-CD1 4.05Å; E41-L346 WeakPolarHBondContact O-CD1 2.94Å; N49-L346 HydrophobicContact CB-CD2 4.47Å; I50-L346 WeakPolarHBondContact O-CD2 3.33Å; I50-L346 PolarHBondContact O-N 3.21Å; L52-L346 PolarHBondContact N-O 3.11Å
347	Y	98.5	Very high	97.9	Very high	16 Å²	16	33.4 Å²	33.4	6%	0.063	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132	163.9	-75.6	-72.9	0	0	0	109.6	P54 N98 R99 Y323 M326 D327 I330	P54-Y347 HydrophobicContact CG-CD1 3.97Å; P54-Y347 HydrophobicContact CG-CE1 4.17Å; N98-Y347 VanDerWaalsContact O-CB 3.3Å; N98-Y347 WeakPolarHBondContact O-CB 3.45Å; N98-Y347 VanDerWaalsContact O-CD2 3.24Å; N98-Y347 WeakPolarHBondContact O-CD2 3.46Å; R99-Y347 HydrophobicContact CG-CE2 4.09Å; Y323-Y347 AromaticContact CD1-CE1 3.75Å; Y323-Y347 HydrophobicContact CD1-CE1 3.75Å; Y323-Y347 AromaticContact CD1-CZ 3.91Å; Y323-Y347 HydrophobicContact CE1-CD1 4.48Å; Y323-Y347 AromaticContact CE1-CE1 3.76Å; Y323-Y347 HydrophobicContact CE1-CE1 3.76Å; M326-Y347 HydrophobicContact CB-CE1 4.11Å; M326-Y347 VanDerWaalsContact CB-OH 3.3Å; M326-Y347 WeakPolarHBondContact CB-OH 3.17Å; M326-Y347 HydrophobicContact CE-CD1 3.76Å; M326-Y347 HydrophobicContact CE-CE1 3.32Å; M326-Y347 HydrophobicContact SD-CE1 4.02Å; D327-Y347 PolarHBondContact N-OH 3.49Å; D327-Y347 VanDerWaalsContact OD1-CE2 3.28Å; D327-Y347 WeakPolarHBondContact OD1-CE2 3.49Å; D327-Y347 PolarHBondContact OD1-OH 3.01Å; I330-Y347 HydrophobicContact CD1-CD1 4.3Å; I330-Y347 HydrophobicContact CD1-CD2 3.46Å; I330-Y347 VanDerWaalsContact CD1-CD2 3.46Å; I330-Y347 HydrophobicContact CD1-CE1 4.19Å; I330-Y347 HydrophobicContact CD1-CE2 3.31Å; I330-Y347 HydrophobicContact CD1-CG 3.95Å
348	S	98.2	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.			trans	-142	175	-179.3	-170.8	0	0	0	0	110.6	H51 L52	H51-S348 WeakPolarHBondContact ND1-CB 3.05Å; H51-S348 PolarHBondContact ND1-OG 3.43Å; L52-S348 CarbonylContact O-C 3.6Å; L52-S348 PolarHBondContact O-N 2.77Å; L52-S348 VanDerWaalsContact O-O 3.08Å
349	T	98.2	Very high	97.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.			trans	-128.4	166.2	170.1	61.6	0	0	0	0	108.6	K100 Q134 A351 C352 Y353	K100-T349 HydrophobicContact CB-CG2 4.15Å; K100-T349 HydrophobicContact CD-CG2 3.99Å; Q134-T349 HydrophobicContact CB-CG2 3.97Å; Q134-T349 PolarHBondContact OE1-OG1 3.32Å; T349-A351 VanDerWaalsContact C-N 3.27Å; T349-A351 PolarHBondContact O-N 3.37Å; T349-C352 PolarHBondContact O-N 2.99Å; T349-C352 PolarHBondContact OG1-N 3Å; T349-C352 PolarHBondContact OG1-SG 3.3Å; T349-Y353 PolarHBondContact O-N 3.33Å
350	P	98.4	Very high	98	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-55.8	-42.3	175.5	-31.2	41.2	0	0	0	112.2	I53 T102 V176 W178 Y202 Y353 T354	I53-P350 HydrophobicContact CG2-CG 3.91Å; T102-P350 HydrophobicContact CG2-CG 3.97Å; T102-P350 WeakPolarHBondContact OG1-CD 3.34Å; V176-P350 HydrophobicContact CG2-CB 3.74Å; W178-P350 HydrophobicContact CD2-CG 4.46Å; W178-P350 HydrophobicContact CE3-CB 3.87Å; W178-P350 HydrophobicContact CE3-CG 3.58Å; W178-P350 HydrophobicContact CH2-CG 3.68Å; W178-P350 HydrophobicContact CZ3-CB 3.58Å; W178-P350 HydrophobicContact CZ3-CG 3.14Å; Y202-P350 HydrophobicContact CD2-CB 4.1Å; Y202-P350 HydrophobicContact CE2-CB 3.99Å; P350-Y353 WeakPolarHBondContact O-CB 3.04Å; P350-Y353 PolarHBondContact O-N 2.9Å; P350-T354 PolarHBondContact O-N 3.02Å; P350-T354 PolarHBondContact O-OG1 2.83Å
351	A	98.1	Very high	98.2	Very high	2 Å²	2	14.9 Å²	14.9	2%	0.017	7%	0.074	C	C	.	.	H	α-helix	trans	-63.3	-44.2	176.3	0	0	0	0	0	112.4	Y37 L175 V176 T349 Y353 T354 K355	Y37-A351 HydrophobicContact CE1-CB 4.06Å; Y37-A351 VanDerWaalsContact CE1-O 3.31Å; Y37-A351 WeakPolarHBondContact CE1-O 3.32Å; L175-A351 HydrophobicContact CB-CB 4.03Å; L175-A351 HydrophobicContact CD1-CB 4.06Å; V176-A351 HydrophobicContact CG1-CB 4.27Å; T349-A351 VanDerWaalsContact C-N 3.27Å; T349-A351 PolarHBondContact O-N 3.37Å; A351-Y353 VanDerWaalsContact C-N 3.29Å; A351-Y353 PolarHBondContact O-N 3.45Å; A351-T354 WeakPolarHBondContact O-CB 3.31Å; A351-T354 PolarHBondContact O-N 3.16Å; A351-T354 VanDerWaalsContact O-N 3.15Å; A351-K355 PolarHBondContact O-N 3.49Å
352	C	98.3	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-33.1	178.1	-64	0	0	0	0	112.9	C40 T349 A356	C40-C352 WeakPolarHBondContact CA-SG 3.29Å; C40-C352 HydrophobicContact CB-CB 3.61Å; C40-C352 WeakPolarHBondContact CB-SG 3.37Å; C40-C352 WeakPolarHBondContact SG-CA 3.49Å; C40-C352 WeakPolarHBondContact SG-CB 3.47Å; C40-C352 CovalentContact SG-SG 2.05Å; C40-C352 PolarHBondContact SG-SG 3.12Å; T349-C352 PolarHBondContact O-N 2.99Å; T349-C352 PolarHBondContact OG1-N 3Å; T349-C352 PolarHBondContact OG1-SG 3.3Å; C352-A356 PolarHBondContact O-N 2.75Å; C352-A356 VanDerWaalsContact O-N 3.15Å
353	Y	98.6	Very high	98.1	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-64.1	-46.9	169.3	-180	-93.7	0	0	0	111.4	H51 Y202 E221 H305 M307 T349 P350 A351 K355 A356 V357	H51-Y353 HydrophobicContact CB-CD2 3.82Å; H51-Y353 AromaticContact CD2-CD2 3.75Å; H51-Y353 AromaticContact CG-CD2 3.69Å; Y202-Y353 HydrophobicContact CE1-CD1 4.02Å; Y202-Y353 HydrophobicContact CE1-CE1 4.18Å; Y202-Y353 WeakPolarHBondContact OH-CD1 3.48Å; E221-Y353 WeakPolarHBondContact OE1-CE1 3.2Å; E221-Y353 VanDerWaalsContact OE1-CZ 3.28Å; E221-Y353 PolarHBondContact OE1-OH 3.39Å; H305-Y353 HydrophobicContact CB-CD2 4.46Å; H305-Y353 HydrophobicContact CB-CE2 3.98Å; H305-Y353 PolarHBondContact O-OH 3.33Å; M307-Y353 HydrophobicContact CB-CD1 4.46Å; M307-Y353 HydrophobicContact CB-CD2 3.96Å; M307-Y353 HydrophobicContact CB-CE1 4.29Å; M307-Y353 HydrophobicContact CB-CE2 3.75Å; M307-Y353 HydrophobicContact CB-CG 4.29Å; M307-Y353 HydrophobicContact CE-CD1 3.36Å; M307-Y353 HydrophobicContact CE-CD2 4.4Å; M307-Y353 HydrophobicContact CE-CE1 3.98Å; M307-Y353 HydrophobicContact CE-CG 3.59Å; T349-Y353 PolarHBondContact O-N 3.33Å; P350-Y353 WeakPolarHBondContact O-CB 3.04Å; P350-Y353 PolarHBondContact O-N 2.9Å; A351-Y353 VanDerWaalsContact C-N 3.29Å; A351-Y353 PolarHBondContact O-N 3.45Å; Y353-K355 VanDerWaalsContact C-N 3.29Å; Y353-K355 PolarHBondContact O-N 3.49Å; Y353-A356 PolarHBondContact O-N 2.9Å; Y353-A356 VanDerWaalsContact O-N 3.11Å; Y353-V357 HydrophobicContact CD1-CG1 4.21Å; Y353-V357 HydrophobicContact CD1-CG2 4.45Å; Y353-V357 HydrophobicContact CD2-CG1 4.44Å; Y353-V357 HydrophobicContact CE1-CG1 3.7Å; Y353-V357 HydrophobicContact CE1-CG2 4.29Å; Y353-V357 HydrophobicContact CE2-CG1 3.96Å; Y353-V357 WeakPolarHBondContact O-CG2 3.43Å; Y353-V357 PolarHBondContact O-N 3Å
354	T	98.6	Very high	97.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-53.6	-45.8	175.8	-50.6	0	0	0	0	111.8	V176 D199 A200 Y202 F247 P350 A351 V357 N358 L1106 W1108	V176-T354 WeakPolarHBondContact CG1-OG1 3.43Å; D199-T354 HydrophobicContact CB-CG2 4.47Å; A200-T354 HydrophobicContact CB-CG2 3.64Å; Y202-T354 PolarHBondContact OH-OG1 3.46Å; F247-T354 HydrophobicContact CD1-CG2 4.38Å; P350-T354 PolarHBondContact O-N 3.02Å; P350-T354 PolarHBondContact O-OG1 2.83Å; A351-T354 WeakPolarHBondContact O-CB 3.31Å; A351-T354 PolarHBondContact O-N 3.16Å; A351-T354 VanDerWaalsContact O-N 3.15Å; T354-V357 WeakPolarHBondContact O-CG2 3.14Å; T354-N358 WeakPolarHBondContact O-CB 3.34Å; T354-N358 PolarHBondContact O-N 3.08Å; T354-L1106 HydrophobicContact CG2-CD1 3.89Å; T354-W1108 HydrophobicContact CG2-CH2 4.16Å; T354-W1108 HydrophobicContact CG2-CZ2 3.84Å
355	K	98.3	Very high	97.8	Very high	43 Å²	43	26 Å²	26	19%	0.187	13%	0.128	C	C	.	.	H	α-helix	trans	-60.2	-47.7	177.2	-172.1	-173.2	-178	-178.5	0	111.7	Y37 C40 T42 A351 Y353 N358 E359	Y37-K355 HydrophobicContact CD1-CB 3.78Å; Y37-K355 HydrophobicContact CD1-CD 4.14Å; Y37-K355 HydrophobicContact CD1-CG 4.21Å; Y37-K355 HydrophobicContact CE1-CB 4.02Å; Y37-K355 HydrophobicContact CG-CD 4.46Å; Y37-K355 PolarHBondContact O-NZ 3.36Å; C40-K355 HydrophobicContact CB-CD 3.88Å; T42-K355 HydrophobicContact CG2-CB 4.42Å; T42-K355 HydrophobicContact CG2-CD 3.96Å; T42-K355 HydrophobicContact CG2-CG 4.1Å; A351-K355 PolarHBondContact O-N 3.49Å; Y353-K355 VanDerWaalsContact C-N 3.29Å; Y353-K355 PolarHBondContact O-N 3.49Å; K355-N358 WeakPolarHBondContact O-CB 3.39Å; K355-N358 PolarHBondContact O-N 3.29Å; K355-E359 WeakPolarHBondContact CE-OE1 3.45Å; K355-E359 WeakPolarHBondContact O-CG 3.4Å; K355-E359 PolarHBondContact O-N 3.03Å
356	A	98.5	Very high	97.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-45.1	-178	0	0	0	0	0	112.2	T42 C352 Y353 E359 E360	T42-A356 HydrophobicContact CG2-CB 3.91Å; C352-A356 PolarHBondContact O-N 2.75Å; C352-A356 VanDerWaalsContact O-N 3.15Å; Y353-A356 PolarHBondContact O-N 2.9Å; Y353-A356 VanDerWaalsContact O-N 3.11Å; A356-E359 PolarHBondContact O-N 3.11Å; A356-E360 PolarHBondContact O-N 3.47Å
357	V	98.3	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.9	-33.2	176.9	-59.6	0	0	0	0	111.9	E221 F247 T303 H305 Y353 T354 E360 F361 W1108	E221-V357 WeakPolarHBondContact OE1-CG1 3.48Å; F247-V357 HydrophobicContact CE1-CG2 3.87Å; F247-V357 HydrophobicContact CE2-CG2 4.16Å; F247-V357 HydrophobicContact CZ-CB 4.48Å; F247-V357 HydrophobicContact CZ-CG2 3.55Å; T303-V357 HydrophobicContact CG2-CB 4.37Å; T303-V357 HydrophobicContact CG2-CG1 4.41Å; H305-V357 HydrophobicContact CB-CG1 3.81Å; Y353-V357 HydrophobicContact CD1-CG1 4.21Å; Y353-V357 HydrophobicContact CD1-CG2 4.45Å; Y353-V357 HydrophobicContact CD2-CG1 4.44Å; Y353-V357 HydrophobicContact CE1-CG1 3.7Å; Y353-V357 HydrophobicContact CE1-CG2 4.29Å; Y353-V357 HydrophobicContact CE2-CG1 3.96Å; Y353-V357 WeakPolarHBondContact O-CG2 3.43Å; Y353-V357 PolarHBondContact O-N 3Å; T354-V357 WeakPolarHBondContact O-CG2 3.14Å; V357-E360 PolarHBondContact O-N 3.44Å; V357-F361 HydrophobicContact CB-CD2 4.18Å; V357-F361 HydrophobicContact CB-CE2 4.32Å; V357-F361 WeakPolarHBondContact O-CB 3.27Å; V357-F361 WeakPolarHBondContact O-CD2 3.32Å; V357-F361 PolarHBondContact O-N 2.97Å; V357-W1108 HydrophobicContact CG2-CH2 3.99Å; V357-W1108 HydrophobicContact CG2-CZ3 4.35Å
358	N	98	Very high	97.1	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-47	173.4	179.8	-94.5	0	0	0	111.9	T354 K355 E360 F361 N362 L1106 H1107 W1108	T354-N358 WeakPolarHBondContact O-CB 3.34Å; T354-N358 PolarHBondContact O-N 3.08Å; K355-N358 WeakPolarHBondContact O-CB 3.39Å; K355-N358 PolarHBondContact O-N 3.29Å; N358-E360 VanDerWaalsContact C-N 3.29Å; N358-E360 PolarHBondContact O-N 3.19Å; N358-F361 PolarHBondContact O-N 2.98Å; N358-N362 WeakPolarHBondContact O-CB 3.43Å; N358-N362 PolarHBondContact O-N 2.67Å; N358-N362 PolarHBondContact O-ND2 2.88Å; N358-N362 VanDerWaalsContact O-ND2 3.12Å; N358-N362 PolarHBondContact OD1-ND2 3.3Å; N358-N362 VanDerWaalsContact OD1-ND2 3.12Å; N358-L1106 HydrophobicContact CB-CD1 4.11Å; N358-H1107 PolarHBondContact ND2-O 3.22Å; N358-W1108 HydrophobicContact CB-CE3 4.41Å; N358-W1108 HydrophobicContact CB-CH2 3.64Å; N358-W1108 HydrophobicContact CB-CZ2 4.03Å; N358-W1108 HydrophobicContact CB-CZ3 3.86Å
359	E	97.5	Very high	96.7	Very high	90 Å²	90	35.8 Å²	35.8	42%	0.421	18%	0.182	S	C	.	.	H	α-helix	trans	-56.9	-44.2	175.1	-72	170.9	-176	0	0	111	T42 K355 A356 R363	T42-E359 PolarHBondContact OG1-OE2 3.17Å; K355-E359 WeakPolarHBondContact CE-OE1 3.45Å; K355-E359 WeakPolarHBondContact O-CG 3.4Å; K355-E359 PolarHBondContact O-N 3.03Å; A356-E359 PolarHBondContact O-N 3.11Å; E359-R363 PolarHBondContact O-N 3.45Å
360	E	97.4	Very high	96.4	Very high	29 Å²	29	36 Å²	36	14%	0.136	18%	0.182	C	C	.	.	H	α-helix	trans	-72	-41.8	-178.7	-177.9	60.6	-175.5	0	0	113.2	T303 A356 V357 N358 N362 R363 I364	T303-E360 HydrophobicContact CG2-CB 4.1Å; T303-E360 HydrophobicContact CG2-CG 3.7Å; A356-E360 PolarHBondContact O-N 3.47Å; V357-E360 PolarHBondContact O-N 3.44Å; N358-E360 VanDerWaalsContact C-N 3.29Å; N358-E360 PolarHBondContact O-N 3.19Å; E360-N362 VanDerWaalsContact C-N 3.33Å; E360-N362 PolarHBondContact O-N 3.44Å; E360-R363 WeakPolarHBondContact O-CB 3.44Å; E360-R363 PolarHBondContact O-N 3.43Å; E360-R363 VanDerWaalsContact O-N 3.17Å; E360-R363 IonicContact OE1-CZ 2.87Å; E360-R363 IonicContact OE1-NE 3.48Å; E360-R363 PolarHBondContact OE1-NE 3.29Å; E360-R363 IonicContact OE1-NH2 3.35Å; E360-R363 PolarHBondContact OE1-NH2 3.42Å; E360-R363 IonicContact OE2-CZ 3.67Å; E360-R363 IonicContact OE2-NE 2.76Å; E360-R363 PolarHBondContact OE2-NE 3.07Å; E360-R363 IonicContact OE2-NH2 3.57Å; E360-I364 HydrophobicContact CG-CD1 4.05Å; E360-I364 VanDerWaalsContact O-CG1 3.28Å; E360-I364 WeakPolarHBondContact O-CG1 3.45Å; E360-I364 PolarHBondContact O-N 2.71Å
361	F	97.5	Very high	96	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-39.2	174.9	-85.9	-70.3	0	0	0	111.3	E221 F247 K302 T303 V357 N358 R363 I364 G365 T366 I367 W1108 P1109	E221-F361 HydrophobicContact CB-CE2 4.07Å; E221-F361 HydrophobicContact CB-CZ 3.98Å; F247-F361 HydrophobicContact CE2-CD2 4.32Å; F247-F361 AromaticContact CE2-CE2 3.93Å; F247-F361 HydrophobicContact CE2-CE2 3.93Å; K302-F361 HydrophobicContact CB-CE1 4.48Å; K302-F361 HydrophobicContact CB-CZ 4.39Å; K302-F361 HydrophobicContact CD-CD1 4.46Å; K302-F361 HydrophobicContact CD-CE1 3.68Å; K302-F361 HydrophobicContact CD-CZ 4.39Å; T303-F361 HydrophobicContact CG2-CD2 3.91Å; T303-F361 HydrophobicContact CG2-CE2 3.62Å; T303-F361 HydrophobicContact CG2-CG 4.5Å; T303-F361 HydrophobicContact CG2-CZ 4.02Å; V357-F361 HydrophobicContact CB-CD2 4.18Å; V357-F361 HydrophobicContact CB-CE2 4.32Å; V357-F361 WeakPolarHBondContact O-CB 3.27Å; V357-F361 WeakPolarHBondContact O-CD2 3.32Å; V357-F361 PolarHBondContact O-N 2.97Å; N358-F361 PolarHBondContact O-N 2.98Å; F361-R363 VanDerWaalsContact C-N 3.33Å; F361-R363 PolarHBondContact O-N 3.11Å; F361-I364 CarbonylContact O-C 3.54Å; F361-I364 PolarHBondContact O-N 3.3Å; F361-G365 PolarHBondContact O-N 2.9Å; F361-T366 WeakPolarHBondContact CD1-O 3.09Å; F361-I367 HydrophobicContact CD1-CB 3.84Å; F361-I367 HydrophobicContact CD1-CD1 4.08Å; F361-I367 HydrophobicContact CD1-CG1 3.94Å; F361-I367 HydrophobicContact CD2-CD1 4.15Å; F361-I367 HydrophobicContact CE1-CB 4.1Å; F361-I367 HydrophobicContact CE1-CD1 4.07Å; F361-I367 HydrophobicContact CE1-CG1 3.78Å; F361-I367 HydrophobicContact CE2-CD1 4.19Å; F361-I367 HydrophobicContact CG-CB 4.47Å; F361-I367 HydrophobicContact CG-CD1 4.12Å; F361-I367 HydrophobicContact CG-CG1 4.48Å; F361-I367 HydrophobicContact CZ-CD1 4.15Å; F361-I367 HydrophobicContact CZ-CG1 4.23Å; F361-W1108 HydrophobicContact CB-CE3 4.38Å; F361-W1108 HydrophobicContact CB-CZ3 4.41Å; F361-W1108 AromaticContact CD2-CZ3 3.98Å; F361-W1108 HydrophobicContact CD2-CZ3 3.98Å; F361-P1109 HydrophobicContact CB-CG 3.94Å; F361-P1109 WeakPolarHBondContact O-CG 3.29Å
362	N	96.9	Very high	95.7	Very high	64 Å²	64	38.9 Å²	38.9	34%	0.342	20%	0.204	S	C	.	.	H	α-helix	trans	-62.1	-38.5	172	-81.2	-43.7	0	0	0	112.4	N358 E360 G365 H1107	N358-N362 WeakPolarHBondContact O-CB 3.43Å; N358-N362 PolarHBondContact O-N 2.67Å; N358-N362 PolarHBondContact O-ND2 2.88Å; N358-N362 VanDerWaalsContact O-ND2 3.12Å; N358-N362 PolarHBondContact OD1-ND2 3.3Å; N358-N362 VanDerWaalsContact OD1-ND2 3.12Å; E360-N362 VanDerWaalsContact C-N 3.33Å; E360-N362 PolarHBondContact O-N 3.44Å; N362-G365 PolarHBondContact O-N 3.28Å; N362-H1107 PolarHBondContact ND2-O 2.85Å
363	R	96.2	Very high	95.6	Very high	173 Å²	173	39 Å²	39	65%	0.653	21%	0.205	S	C	*	.	H	α-helix	trans	-64.8	-38.4	172.7	-166.3	-170.6	69.3	74.4	-0.3	112.6	E359 E360 F361	E359-R363 PolarHBondContact O-N 3.45Å; E360-R363 WeakPolarHBondContact O-CB 3.44Å; E360-R363 PolarHBondContact O-N 3.43Å; E360-R363 VanDerWaalsContact O-N 3.17Å; E360-R363 IonicContact OE1-CZ 2.87Å; E360-R363 IonicContact OE1-NE 3.48Å; E360-R363 PolarHBondContact OE1-NE 3.29Å; E360-R363 IonicContact OE1-NH2 3.35Å; E360-R363 PolarHBondContact OE1-NH2 3.42Å; E360-R363 IonicContact OE2-CZ 3.67Å; E360-R363 IonicContact OE2-NE 2.76Å; E360-R363 PolarHBondContact OE2-NE 3.07Å; E360-R363 IonicContact OE2-NH2 3.57Å; F361-R363 VanDerWaalsContact C-N 3.33Å; F361-R363 PolarHBondContact O-N 3.11Å
364	I	95.5	Very high	95.5	Very high	56 Å²	56	39 Å²	39	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-71.9	-30.9	176.3	-67.4	164.1	0	0	0	111.5	K302 E360 F361 T366	K302-I364 HydrophobicContact CD-CD1 4.44Å; K302-I364 HydrophobicContact CG-CD1 4.44Å; E360-I364 HydrophobicContact CG-CD1 4.05Å; E360-I364 VanDerWaalsContact O-CG1 3.28Å; E360-I364 WeakPolarHBondContact O-CG1 3.45Å; E360-I364 PolarHBondContact O-N 2.71Å; F361-I364 CarbonylContact O-C 3.54Å; F361-I364 PolarHBondContact O-N 3.3Å; I364-T366 VanDerWaalsContact C-N 3.3Å; I364-T366 PolarHBondContact O-N 3.29Å
365	G	95.5	Very high	95.5	Very high	42 Å²	42	39.3 Å²	39.3	43%	0.433	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	3.3	-179.9	0	0	0	0	0	115.1	F361 N362	F361-G365 PolarHBondContact O-N 2.9Å; N362-G365 PolarHBondContact O-N 3.28Å
366	T	94	Very high	95.5	Very high	72 Å²	72	37.4 Å²	37.4	44%	0.442	20%	0.199	S	C	.	.			trans	-147	140.4	-179.1	60.5	0	0	0	0	112.7	K302 F361 I364	K302-T366 PolarHBondContact NZ-O 2.83Å; K302-T366 PolarHBondContact NZ-OG1 3.46Å; K302-T366 VanDerWaalsContact NZ-OG1 3.12Å; F361-T366 WeakPolarHBondContact CD1-O 3.09Å; I364-T366 VanDerWaalsContact C-N 3.3Å; I364-T366 PolarHBondContact O-N 3.29Å
367	I	94.3	Very high	95.4	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	20%	0.202	C	C	.	.			trans	-135.8	145.9	170.7	-171.8	164.4	0	0	0	109	L223 F247 F361 H369 W1108 P1109	L223-I367 HydrophobicContact CB-CD1 4.26Å; L223-I367 HydrophobicContact CB-CG1 4.34Å; L223-I367 HydrophobicContact CB-CG2 4.01Å; L223-I367 HydrophobicContact CD2-CG2 4.06Å; F247-I367 HydrophobicContact CD2-CD1 3.82Å; F247-I367 HydrophobicContact CE2-CD1 4.01Å; F361-I367 HydrophobicContact CD1-CB 3.84Å; F361-I367 HydrophobicContact CD1-CD1 4.08Å; F361-I367 HydrophobicContact CD1-CG1 3.94Å; F361-I367 HydrophobicContact CD2-CD1 4.15Å; F361-I367 HydrophobicContact CE1-CB 4.1Å; F361-I367 HydrophobicContact CE1-CD1 4.07Å; F361-I367 HydrophobicContact CE1-CG1 3.78Å; F361-I367 HydrophobicContact CE2-CD1 4.19Å; F361-I367 HydrophobicContact CG-CB 4.47Å; F361-I367 HydrophobicContact CG-CD1 4.12Å; F361-I367 HydrophobicContact CG-CG1 4.48Å; F361-I367 HydrophobicContact CZ-CD1 4.15Å; F361-I367 HydrophobicContact CZ-CG1 4.23Å; I367-H369 PolarHBondContact O-CD2 2.99Å; I367-W1108 HydrophobicContact CD1-CE3 3.94Å; I367-W1108 HydrophobicContact CD1-CZ3 4.32Å; I367-P1109 HydrophobicContact CG2-CB 4.42Å; I367-P1109 WeakPolarHBondContact CG2-O 3.42Å
368	N	92.8	Very high	95.4	Very high	67 Å²	67	38.3 Å²	38.3	36%	0.358	20%	0.202	S	C	.	.			trans	-81.1	151.2	179.4	-71.3	-25.4	0	0	0	110.9	E219 I222 L223	E219-N368 VanDerWaalsContact CD-ND2 3.29Å; E219-N368 VanDerWaalsContact CG-ND2 3.35Å; E219-N368 WeakPolarHBondContact CG-ND2 3.32Å; E219-N368 PolarHBondContact OE1-ND2 3.23Å; I222-N368 WeakPolarHBondContact CA-O 3.4Å; I222-N368 WeakPolarHBondContact CB-O 3.16Å; I222-N368 HydrophobicContact CG2-CB 4.25Å; L223-N368 PolarHBondContact N-O 3.39Å
369	H	90.6	Very high	95.3	Very high	88 Å²	88	40.1 Å²	40.1	41%	0.407	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	151.5	-177.7	-70.8	-104.5	0	0	0	111.7	L223 I367 T1110	L223-H369 VanDerWaalsContact O-CA 3.27Å; L223-H369 WeakPolarHBondContact O-CA 3.49Å; I367-H369 PolarHBondContact O-CD2 2.99Å; H369-T1110 PolarHBondContact NE2-OG1 3.17Å
370	R	91.2	Very high	95.2	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.011	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.7	170.8	-174.3	-162.8	177.5	-90.1	-0.8	109.4	E210 I222 L223 W224 D225 G372 D373 F374	E210-R370 IonicContact OE1-NE 2.91Å; E210-R370 PolarHBondContact OE1-NE 3.5Å; E210-R370 IonicContact OE2-NH2 3.38Å; I222-R370 HydrophobicContact CD1-CB 3.52Å; I222-R370 HydrophobicContact CG1-CB 4.15Å; L223-R370 PolarHBondContact O-N 2.96Å; L223-R370 VanDerWaalsContact O-N 3.09Å; W224-R370 VanDerWaalsContact CD1-O 3.3Å; D225-R370 PolarHBondContact N-O 3.09Å; R370-G372 PolarHBondContact NH1-O 3.36Å; R370-D373 PolarHBondContact NH2-O 3.2Å; R370-F374 VanDerWaalsContact CZ-CD1 3.49Å; R370-F374 VanDerWaalsContact CZ-CD2 3.47Å; R370-F374 VanDerWaalsContact NH1-CD2 3.27Å; R370-F374 VanDerWaalsContact NH2-CG 3.33Å
371	S	90.8	Very high	95.1	Very high	52 Å²	52	37.5 Å²	37.5	36%	0.364	21%	0.213	S	C	.	.			trans	-111.4	178.7	175.7	71.9	0	0	0	0	111.6	D882	S371-D882 PolarHBondContact OG-O 2.84Å
372	G	92	Very high	94.9	Very high	12 Å²	12	40 Å²	40	12%	0.124	23%	0.226	C	C	.	.	S	Bend	trans	71.7	-161.9	175.1	0	0	0	0	0	113.4	W224 R370	W224-G372 WeakPolarHBondContact CZ2-O 3.14Å; W224-G372 PolarHBondContact NE1-O 2.87Å; R370-G372 PolarHBondContact NH1-O 3.36Å
373	D	95.8	Very high	94.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.011	22%	0.216	C	C	.	.			trans	-120.2	174.1	178	71.7	11.6	0	0	0	110.7	H185 R187 R370 F375 I873 R875	H185-D373 WeakPolarHBondContact O-CB 3.42Å; R187-D373 HydrophobicContact CB-CB 4.09Å; R370-D373 PolarHBondContact NH2-O 3.2Å; D373-F375 VanDerWaalsContact C-N 3.3Å; D373-F375 HydrophobicContact CB-CD2 4.4Å; D373-F375 PolarHBondContact OD1-N 3.4Å; D373-I873 HydrophobicContact CB-CD1 4.16Å; D373-R875 VanDerWaalsContact CG-NH1 3.34Å; D373-R875 IonicContact OD1-CZ 3.27Å; D373-R875 IonicContact OD1-NH1 2.65Å; D373-R875 PolarHBondContact OD1-NH1 2.95Å; D373-R875 IonicContact OD1-NH2 2.68Å; D373-R875 IonicContact OD2-CZ 3.18Å; D373-R875 IonicContact OD2-NH1 3.58Å; D373-R875 PolarHBondContact OD2-NH1 3.23Å; D373-R875 IonicContact OD2-NH2 2.64Å; D373-R875 PolarHBondContact OD2-NH2 2.83Å
374	F	97	Very high	95	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.026	19%	0.185	C	C	.	.			trans	-97.8	31.8	-178.5	-67.2	-96.9	0	0	0	111.8	H185 F203 I206 W224 M250 R370	H185-F374 HydrophobicContact CB-CB 4.12Å; H185-F374 HydrophobicContact CB-CD2 3.83Å; H185-F374 HydrophobicContact CB-CG 4.3Å; H185-F374 PolarHBondContact O-N 3.48Å; F203-F374 HydrophobicContact CE1-CE2 4.21Å; F203-F374 HydrophobicContact CE2-CD1 4.41Å; F203-F374 HydrophobicContact CE2-CE1 4.04Å; F203-F374 HydrophobicContact CE2-CE2 4.15Å; F203-F374 AromaticContact CE2-CZ 3.88Å; F203-F374 HydrophobicContact CE2-CZ 3.88Å; F203-F374 HydrophobicContact CZ-CD2 4.01Å; F203-F374 HydrophobicContact CZ-CE1 4.06Å; F203-F374 AromaticContact CZ-CE2 3.41Å; F203-F374 HydrophobicContact CZ-CE2 3.41Å; F203-F374 VanDerWaalsContact CZ-CE2 3.41Å; F203-F374 AromaticContact CZ-CZ 3.42Å; F203-F374 HydrophobicContact CZ-CZ 3.42Å; F203-F374 VanDerWaalsContact CZ-CZ 3.42Å; I206-F374 HydrophobicContact CB-CD1 3.9Å; I206-F374 HydrophobicContact CB-CE1 4.21Å; I206-F374 HydrophobicContact CG2-CD1 3.39Å; I206-F374 HydrophobicContact CG2-CE1 3.51Å; I206-F374 HydrophobicContact CG2-CG 4.3Å; I206-F374 HydrophobicContact CG2-CZ 4.5Å; W224-F374 AromaticContact CD2-CE2 3.93Å; W224-F374 HydrophobicContact CD2-CE2 3.93Å; W224-F374 AromaticContact CE2-CE2 3.85Å; W224-F374 AromaticContact CE3-CE2 3.85Å; W224-F374 HydrophobicContact CE3-CE2 3.85Å; W224-F374 AromaticContact CH2-CD2 3.64Å; W224-F374 HydrophobicContact CH2-CD2 3.64Å; W224-F374 AromaticContact CH2-CE2 3.72Å; W224-F374 HydrophobicContact CH2-CE2 3.72Å; W224-F374 AromaticContact CZ2-CD2 3.77Å; W224-F374 HydrophobicContact CZ2-CD2 3.77Å; W224-F374 AromaticContact CZ2-CE2 3.79Å; W224-F374 HydrophobicContact CZ2-CE2 3.79Å; W224-F374 HydrophobicContact CZ3-CD2 4.05Å; W224-F374 AromaticContact CZ3-CE2 3.73Å; W224-F374 HydrophobicContact CZ3-CE2 3.73Å; M250-F374 HydrophobicContact SD-CE1 3.99Å; M250-F374 HydrophobicContact SD-CZ 4.26Å; R370-F374 VanDerWaalsContact CZ-CD1 3.49Å; R370-F374 VanDerWaalsContact CZ-CD2 3.47Å; R370-F374 VanDerWaalsContact NH1-CD2 3.27Å; R370-F374 VanDerWaalsContact NH2-CG 3.33Å
375	F	97.6	Very high	95.1	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.022	17%	0.173	C	C	.	.			trans	-110	149.6	177.9	-66.8	-58.6	0	0	0	113.2	E145 A146 G184 D373 Y389 Y900 P901	E145-F375 HydrophobicContact CB-CZ 4.34Å; A146-F375 HydrophobicContact CB-CE1 3.81Å; A146-F375 HydrophobicContact CB-CE2 4.32Å; A146-F375 HydrophobicContact CB-CZ 3.56Å; G184-F375 VanDerWaalsContact C-CE1 3.44Å; G184-F375 VanDerWaalsContact C-CZ 3.42Å; G184-F375 VanDerWaalsContact CA-CE1 3.46Å; G184-F375 WeakPolarHBondContact O-CZ 3.41Å; D373-F375 VanDerWaalsContact C-N 3.3Å; D373-F375 HydrophobicContact CB-CD2 4.4Å; D373-F375 PolarHBondContact OD1-N 3.4Å; F375-Y389 HydrophobicContact CD1-CE1 4.44Å; F375-Y389 WeakPolarHBondContact CD1-OH 3.26Å; F375-Y389 HydrophobicContact CE1-CE1 4.47Å; F375-Y900 HydrophobicContact CB-CD1 4.35Å; F375-Y900 WeakPolarHBondContact O-CE1 3.39Å; F375-P901 HydrophobicContact CB-CG 4.41Å; F375-P901 HydrophobicContact CD1-CG 4.4Å; F375-P901 HydrophobicContact CD2-CG 3.74Å; F375-P901 HydrophobicContact CE2-CG 4.05Å; F375-P901 HydrophobicContact CG-CG 3.93Å
376	P	97.6	Very high	95.3	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.026	15%	0.152	C	C	.	.	S	Bend	cis	-67.1	147.1	-17.2	30.1	-37.4	0	0	0	111.6	Y384 T386 Y899	P376-Y384 HydrophobicContact CB-CD1 4.33Å; P376-Y384 HydrophobicContact CG-CD1 4.19Å; P376-Y384 HydrophobicContact CG-CE1 4.3Å; P376-T386 HydrophobicContact CB-CG2 3.37Å; P376-T386 HydrophobicContact CG-CG2 4.42Å; P376-Y899 WeakPolarHBondContact CB-O 3.39Å
377	Y	97.7	Very high	95.5	Very high	19 Å²	19	21.9 Å²	21.9	8%	0.075	13%	0.131	C	C	.	.			trans	-79.2	132.7	170.6	169.6	-127.3	0	0	0	110.2	F183 R205 I206 S379 W385	F183-Y377 HydrophobicContact CB-CD1 4.44Å; F183-Y377 WeakPolarHBondContact O-CB 3.39Å; R205-Y377 HydrophobicContact CB-CD1 4.24Å; R205-Y377 HydrophobicContact CB-CD2 4.24Å; R205-Y377 HydrophobicContact CB-CE1 3.87Å; R205-Y377 HydrophobicContact CB-CE2 3.87Å; R205-Y377 HydrophobicContact CB-CG 4.42Å; R205-Y377 HydrophobicContact CG-CE1 3.96Å; R205-Y377 HydrophobicContact CG-CE2 4.5Å; I206-Y377 VanDerWaalsContact O-CE2 3.27Å; I206-Y377 WeakPolarHBondContact O-CE2 3.2Å; Y377-S379 WeakPolarHBondContact OH-CB 3.39Å; Y377-W385 HydrophobicContact CD1-CB 3.81Å; Y377-W385 AromaticContact CD1-CD1 3.57Å; Y377-W385 AromaticContact CD1-CD2 3.78Å; Y377-W385 HydrophobicContact CD1-CD2 3.78Å; Y377-W385 HydrophobicContact CD1-CE3 4.44Å; Y377-W385 AromaticContact CD1-CG 3.44Å; Y377-W385 HydrophobicContact CD1-CG 3.44Å; Y377-W385 VanDerWaalsContact CD1-CG 3.44Å; Y377-W385 AromaticContact CE1-CD1 3.61Å; Y377-W385 AromaticContact CE1-CD2 3.67Å; Y377-W385 HydrophobicContact CE1-CD2 3.67Å; Y377-W385 AromaticContact CE1-CE2 3.59Å; Y377-W385 HydrophobicContact CE1-CE3 4.34Å; Y377-W385 AromaticContact CE1-CG 3.74Å; Y377-W385 HydrophobicContact CE1-CG 3.74Å; Y377-W385 HydrophobicContact CE1-CZ2 4.24Å; Y377-W385 AromaticContact CE1-NE1 3.54Å; Y377-W385 HydrophobicContact CG-CG 4.44Å; Y377-W385 PolarHBondContact O-N 3.03Å
378	A	97.5	Very high	95.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.5	172.4	0	0	0	0	0	110.4	D207 Y208 G380 S383 Y384	D207-A378 WeakPolarHBondContact CA-O 3.37Å; Y208-A378 HydrophobicContact CD1-CB 4.35Å; Y208-A378 PolarHBondContact N-O 3.28Å; A378-G380 VanDerWaalsContact C-N 3.32Å; A378-S383 WeakPolarHBondContact CA-O 3.48Å; A378-Y384 HydrophobicContact CB-CD1 3.73Å; A378-Y384 HydrophobicContact CB-CD2 4.46Å; A378-Y384 HydrophobicContact CB-CE1 3.66Å; A378-Y384 HydrophobicContact CB-CE2 4.42Å; A378-Y384 HydrophobicContact CB-CG 4.15Å
379	S	96.5	Very high	96	Very high	50 Å²	50	18.4 Å²	18.4	35%	0.35	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-9.5	175	58.4	0	0	0	0	113.1	Y377 S383 W385	Y377-S379 WeakPolarHBondContact OH-CB 3.39Å; S379-S383 PolarHBondContact N-O 3.12Å; S379-S383 VanDerWaalsContact N-O 3.11Å; S379-S383 VanDerWaalsContact OG-CB 3.3Å; S379-S383 WeakPolarHBondContact OG-CB 3.33Å; S379-W385 PolarHBondContact OG-NE1 3.24Å
380	G	95.6	Very high	96.3	Very high	16 Å²	16	14.2 Å²	14.2	17%	0.165	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	177.9	178	0	0	0	0	0	111.4	A378 L382 S383	A378-G380 VanDerWaalsContact C-N 3.32Å; G380-L382 PolarHBondContact O-N 3.3Å; G380-S383 PolarHBondContact O-N 3.17Å
381	S	94	Very high	96.7	Very high	48 Å²	48	14.1 Å²	14.1	34%	0.336	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.3	-173.2	59.5	0	0	0	0	115.2	Q893	S381-Q893 VanDerWaalsContact O-CG 3.24Å; S381-Q893 WeakPolarHBondContact O-CG 3.23Å; S381-Q893 PolarHBondContact O-NE2 2.95Å
382	L	94.8	Very high	97	Very high	55 Å²	55	11.8 Å²	11.8	29%	0.288	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-4.4	176.1	-56.4	-174.9	0	0	0	113	G380 Q772 L780	G380-L382 PolarHBondContact O-N 3.3Å; L382-Q772 HydrophobicContact CB-CB 4.01Å; L382-Q772 HydrophobicContact CB-CG 4.43Å; L382-L780 HydrophobicContact CB-CD2 4.3Å
383	S	96.2	Very high	97.3	Very high	17 Å²	17	11.2 Å²	11.2	12%	0.119	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	67.1	-165.3	-51.3	0	0	0	0	110.5	A378 S379 G380 W385 Q772	A378-S383 WeakPolarHBondContact CA-O 3.48Å; S379-S383 PolarHBondContact N-O 3.12Å; S379-S383 VanDerWaalsContact N-O 3.11Å; S379-S383 VanDerWaalsContact OG-CB 3.3Å; S379-S383 WeakPolarHBondContact OG-CB 3.33Å; G380-S383 PolarHBondContact O-N 3.17Å; S383-W385 VanDerWaalsContact O-CD1 3.25Å; S383-Q772 PolarHBondContact OG-OE1 3.42Å
384	Y	97.9	Very high	97.3	Very high	1 Å²	1	12.7 Å²	12.7	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.9	172.2	-79.3	-89.4	0	0	0	110.2	R209 P376 A378 T386 I778 F779 E891 Q893 T896	R209-Y384 PolarHBondContact NH2-OH 3.34Å; P376-Y384 HydrophobicContact CB-CD1 4.33Å; P376-Y384 HydrophobicContact CG-CD1 4.19Å; P376-Y384 HydrophobicContact CG-CE1 4.3Å; A378-Y384 HydrophobicContact CB-CD1 3.73Å; A378-Y384 HydrophobicContact CB-CD2 4.46Å; A378-Y384 HydrophobicContact CB-CE1 3.66Å; A378-Y384 HydrophobicContact CB-CE2 4.42Å; A378-Y384 HydrophobicContact CB-CG 4.15Å; Y384-T386 PolarHBondContact O-N 3.26Å; Y384-I778 WeakPolarHBondContact O-CD1 3.29Å; Y384-F779 PolarHBondContact O-N 3.32Å; Y384-E891 PolarHBondContact OH-OE1 3.41Å; Y384-E891 PolarHBondContact OH-OE2 3.19Å; Y384-E891 VanDerWaalsContact OH-OE2 3.1Å; Y384-Q893 HydrophobicContact CD2-CB 3.91Å; Y384-Q893 HydrophobicContact CD2-CG 3.81Å; Y384-Q893 HydrophobicContact CE2-CB 3.52Å; Y384-Q893 HydrophobicContact CE2-CG 3.47Å; Y384-Q893 VanDerWaalsContact CE2-CG 3.47Å; Y384-T896 WeakPolarHBondContact CD2-OG1 3.41Å
385	W	98.3	Very high	97.3	Very high	9 Å²	9	12.9 Å²	12.9	3%	0.034	8%	0.084	C	C	.	.			trans	-82.3	59.8	-178.8	-64.7	60	0	0	0	109.5	F183 R205 Y377 S379 S383 Y388 Y777 I778 L956	F183-W385 HydrophobicContact CB-CD2 4.46Å; F183-W385 HydrophobicContact CB-CE3 3.7Å; F183-W385 HydrophobicContact CB-CZ3 4.4Å; F183-W385 AromaticContact CD1-CE3 3.75Å; F183-W385 HydrophobicContact CD1-CE3 3.75Å; F183-W385 AromaticContact CD1-CZ3 3.56Å; F183-W385 HydrophobicContact CD1-CZ3 3.56Å; F183-W385 HydrophobicContact CD2-CE3 4.46Å; F183-W385 HydrophobicContact CE1-CZ3 4.06Å; F183-W385 AromaticContact CG-CE3 3.68Å; F183-W385 HydrophobicContact CG-CE3 3.68Å; F183-W385 AromaticContact CG-CZ3 3.97Å; F183-W385 HydrophobicContact CG-CZ3 3.97Å; R205-W385 VanDerWaalsContact NH1-CZ2 3.25Å; Y377-W385 HydrophobicContact CD1-CB 3.81Å; Y377-W385 AromaticContact CD1-CD1 3.57Å; Y377-W385 AromaticContact CD1-CD2 3.78Å; Y377-W385 HydrophobicContact CD1-CD2 3.78Å; Y377-W385 HydrophobicContact CD1-CE3 4.44Å; Y377-W385 AromaticContact CD1-CG 3.44Å; Y377-W385 HydrophobicContact CD1-CG 3.44Å; Y377-W385 VanDerWaalsContact CD1-CG 3.44Å; Y377-W385 AromaticContact CE1-CD1 3.61Å; Y377-W385 AromaticContact CE1-CD2 3.67Å; Y377-W385 HydrophobicContact CE1-CD2 3.67Å; Y377-W385 AromaticContact CE1-CE2 3.59Å; Y377-W385 HydrophobicContact CE1-CE3 4.34Å; Y377-W385 AromaticContact CE1-CG 3.74Å; Y377-W385 HydrophobicContact CE1-CG 3.74Å; Y377-W385 HydrophobicContact CE1-CZ2 4.24Å; Y377-W385 AromaticContact CE1-NE1 3.54Å; Y377-W385 HydrophobicContact CG-CG 4.44Å; Y377-W385 PolarHBondContact O-N 3.03Å; S379-W385 PolarHBondContact OG-NE1 3.24Å; S383-W385 VanDerWaalsContact O-CD1 3.25Å; W385-Y388 HydrophobicContact CB-CD1 4.34Å; W385-Y388 HydrophobicContact CB-CE1 4.1Å; W385-Y388 WeakPolarHBondContact O-CD1 2.98Å; W385-Y388 WeakPolarHBondContact O-CE1 3.33Å; W385-Y777 AromaticContact CE3-CD1 3.6Å; W385-Y777 HydrophobicContact CE3-CD1 3.6Å; W385-Y777 HydrophobicContact CE3-CE1 4.48Å; W385-Y777 AromaticContact CE3-CG 3.86Å; W385-Y777 HydrophobicContact CE3-CG 3.86Å; W385-Y777 HydrophobicContact CH2-CD1 4.32Å; W385-Y777 HydrophobicContact CH2-CG 4.31Å; W385-Y777 AromaticContact CZ3-CD1 3.3Å; W385-Y777 HydrophobicContact CZ3-CD1 3.3Å; W385-Y777 HydrophobicContact CZ3-CD2 4.34Å; W385-Y777 AromaticContact CZ3-CE1 3.81Å; W385-Y777 HydrophobicContact CZ3-CE1 3.81Å; W385-Y777 AromaticContact CZ3-CG 3.61Å; W385-Y777 HydrophobicContact CZ3-CG 3.61Å; W385-I778 HydrophobicContact CD2-CD1 4.33Å; W385-I778 HydrophobicContact CG-CD1 3.96Å; W385-L956 HydrophobicContact CH2-CB 4.17Å; W385-L956 HydrophobicContact CH2-CD1 3.76Å; W385-L956 HydrophobicContact CH2-CD2 4.31Å; W385-L956 HydrophobicContact CH2-CG 4.3Å; W385-L956 HydrophobicContact CZ2-CD1 3.53Å; W385-L956 HydrophobicContact CZ2-CD2 3.92Å; W385-L956 HydrophobicContact CZ2-CG 4.21Å; W385-L956 HydrophobicContact CZ3-CD1 4.42Å
386	T	98.5	Very high	97.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.083	C	C	.	.			trans	-114.6	-2.8	-176.6	56.8	0	0	0	0	113.1	P376 Y384 Y389	P376-T386 HydrophobicContact CB-CG2 3.37Å; P376-T386 HydrophobicContact CG-CG2 4.42Å; Y384-T386 PolarHBondContact O-N 3.26Å; T386-Y389 HydrophobicContact CG2-CD2 4.46Å; T386-Y389 HydrophobicContact CG2-CE2 3.61Å; T386-Y389 VanDerWaalsContact O-CD2 3.24Å; T386-Y389 WeakPolarHBondContact O-CD2 3.43Å
387	G	98.3	Very high	97.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-74.6	-44.2	176.9	0	0	0	0	0	113	Y389 T390 S391 Y777 R948	G387-Y389 PolarHBondContact O-N 3.4Å; G387-T390 PolarHBondContact O-N 3.46Å; G387-S391 PolarHBondContact O-N 3Å; G387-Y777 VanDerWaalsContact CA-O 3.31Å; G387-Y777 WeakPolarHBondContact CA-O 3.33Å; G387-Y777 PolarHBondContact N-O 3.07Å; G387-R948 VanDerWaalsContact O-CZ 3.26Å; G387-R948 PolarHBondContact O-NE 3.08Å; G387-R948 PolarHBondContact O-NH2 3Å
388	Y	98.4	Very high	97.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.9	-178.5	80.9	-93.4	0	0	0	113.5	A146 T147 F183 W385 T390 K396 T449 Y777	A146-Y388 HydrophobicContact CB-CE2 3.64Å; A146-Y388 WeakPolarHBondContact CB-OH 3.28Å; T147-Y388 HydrophobicContact CG2-CD2 4.23Å; T147-Y388 HydrophobicContact CG2-CE2 4.17Å; F183-Y388 HydrophobicContact CB-CD1 4.21Å; F183-Y388 HydrophobicContact CB-CE1 3.44Å; F183-Y388 VanDerWaalsContact CB-CE1 3.44Å; F183-Y388 AromaticContact CD2-CD1 3.91Å; F183-Y388 HydrophobicContact CD2-CD1 3.91Å; F183-Y388 HydrophobicContact CD2-CD2 4.03Å; F183-Y388 AromaticContact CD2-CE1 3.81Å; F183-Y388 HydrophobicContact CD2-CE1 3.81Å; F183-Y388 AromaticContact CD2-CE2 3.93Å; F183-Y388 HydrophobicContact CD2-CE2 3.93Å; F183-Y388 HydrophobicContact CD2-CG 4.01Å; F183-Y388 AromaticContact CD2-CZ 3.82Å; F183-Y388 HydrophobicContact CG-CD1 4.45Å; F183-Y388 HydrophobicContact CG-CE1 4.09Å; F183-Y388 PolarHBondContact O-OH 3.35Å; W385-Y388 HydrophobicContact CB-CD1 4.34Å; W385-Y388 HydrophobicContact CB-CE1 4.1Å; W385-Y388 WeakPolarHBondContact O-CD1 2.98Å; W385-Y388 WeakPolarHBondContact O-CE1 3.33Å; Y388-T390 PolarHBondContact O-N 2.99Å; Y388-T390 VanDerWaalsContact O-N 3.08Å; Y388-K396 PolarHBondContact O-NZ 3.21Å; Y388-T449 HydrophobicContact CD2-CG2 3.45Å; Y388-T449 VanDerWaalsContact CD2-CG2 3.45Å; Y388-T449 HydrophobicContact CE2-CG2 3.65Å; Y388-Y777 PolarHBondContact N-O 3.45Å
389	Y	98.8	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31	170.6	-56.9	-22.6	0	0	0	111.4	A146 F375 T386 G387 K396 Y900 P901 S931 Q932	A146-Y389 HydrophobicContact CB-CD1 4.02Å; A146-Y389 HydrophobicContact CB-CE1 3.84Å; F375-Y389 HydrophobicContact CD1-CE1 4.44Å; F375-Y389 WeakPolarHBondContact CD1-OH 3.26Å; F375-Y389 HydrophobicContact CE1-CE1 4.47Å; T386-Y389 HydrophobicContact CG2-CD2 4.46Å; T386-Y389 HydrophobicContact CG2-CE2 3.61Å; T386-Y389 VanDerWaalsContact O-CD2 3.24Å; T386-Y389 WeakPolarHBondContact O-CD2 3.43Å; G387-Y389 PolarHBondContact O-N 3.4Å; Y389-K396 PolarHBondContact O-NZ 2.87Å; Y389-Y900 VanDerWaalsContact CE2-C 3.48Å; Y389-P901 HydrophobicContact CD1-CB 4.09Å; Y389-P901 HydrophobicContact CE1-CB 4.12Å; Y389-P901 HydrophobicContact CE1-CG 4.38Å; Y389-P901 HydrophobicContact CG-CB 4.34Å; Y389-S931 CarbonylContact O-C 3.6Å; Y389-Q932 CarbonylContact O-C 3.58Å; Y389-Q932 WeakPolarHBondContact O-CA 3.38Å; Y389-Q932 PolarHBondContact O-N 3.04Å
390	T	98.6	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-18.7	-179.1	-45.9	0	0	0	0	115	G387 Y388 R392 P393 K396 G933 M945 L946 R948	G387-T390 PolarHBondContact O-N 3.46Å; Y388-T390 PolarHBondContact O-N 2.99Å; Y388-T390 VanDerWaalsContact O-N 3.08Å; T390-R392 PolarHBondContact O-N 3.19Å; T390-P393 VanDerWaalsContact O-CD 3.27Å; T390-P393 WeakPolarHBondContact O-CD 3.45Å; T390-K396 VanDerWaalsContact C-NZ 3.31Å; T390-G933 PolarHBondContact OG1-N 3.31Å; T390-M945 HydrophobicContact CG2-CB 4.28Å; T390-M945 HydrophobicContact CG2-CG 3.92Å; T390-M945 VanDerWaalsContact CG2-O 3.31Å; T390-M945 WeakPolarHBondContact CG2-O 3.42Å; T390-M945 WeakPolarHBondContact OG1-CB 3.17Å; T390-M945 PolarHBondContact OG1-O 3.35Å; T390-L946 VanDerWaalsContact CG2-C 3.46Å; T390-L946 WeakPolarHBondContact CG2-O 3.47Å; T390-R948 HydrophobicContact CG2-CG 4.43Å
391	S	97.9	Very high	97.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-45.3	138.5	177.9	-65.3	0	0	0	0	112.7	G387 K396 T449 A776 R948 L962	G387-S391 PolarHBondContact O-N 3Å; S391-K396 WeakPolarHBondContact O-CE 3.24Å; S391-K396 PolarHBondContact O-NZ 2.86Å; S391-T449 WeakPolarHBondContact CB-O 3.37Å; S391-A776 PolarHBondContact OG-O 3.48Å; S391-R948 PolarHBondContact OG-NH2 2.8Å; S391-L962 WeakPolarHBondContact OG-CD2 3.22Å
392	R	97.5	Very high	97.8	Very high	4 Å²	4	15 Å²	15	2%	0.015	8%	0.075	C	C	.	.	S	Bend	trans	50	57.2	-179.5	-49.5	-169.1	-174.3	-107.1	3.4	114.4	T390 A394 L395 K396 G450 S452 T457 E960 L962 E964	T390-R392 PolarHBondContact O-N 3.19Å; R392-A394 PolarHBondContact O-N 2.89Å; R392-L395 HydrophobicContact CB-CB 4.25Å; R392-L395 PolarHBondContact O-N 3.1Å; R392-L395 VanDerWaalsContact O-N 3.16Å; R392-K396 PolarHBondContact O-N 3.37Å; R392-G450 VanDerWaalsContact CD-O 3.32Å; R392-G450 WeakPolarHBondContact CD-O 3.09Å; R392-G450 PolarHBondContact NE-O 3.1Å; R392-S452 PolarHBondContact NH2-O 2.86Å; R392-T457 VanDerWaalsContact CD-OG1 3.31Å; R392-T457 WeakPolarHBondContact CD-OG1 3.3Å; R392-T457 PolarHBondContact NE-OG1 3.11Å; R392-T457 PolarHBondContact NH1-OG1 2.59Å; R392-E960 IonicContact NH2-OE1 3.56Å; R392-E960 PolarHBondContact NH2-OE1 3.22Å; R392-L962 HydrophobicContact CG-CD1 3.93Å; R392-E964 WeakPolarHBondContact CA-OE1 3.46Å; R392-E964 WeakPolarHBondContact CA-OE2 3.37Å; R392-E964 VanDerWaalsContact CB-OE1 3.31Å; R392-E964 WeakPolarHBondContact CB-OE1 3.48Å; R392-E964 HydrophobicContact CG-CG 4.28Å; R392-E964 WeakPolarHBondContact CG-OE1 3.43Å
393	P	97.8	Very high	98	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-67.4	-19	-175.2	28.6	-33.5	0	0	0	113.4	T390 Y397 R930 L946 H947 V974	T390-P393 VanDerWaalsContact O-CD 3.27Å; T390-P393 WeakPolarHBondContact O-CD 3.45Å; P393-Y397 PolarHBondContact O-N 3.02Å; P393-R930 WeakPolarHBondContact O-CD 3.4Å; P393-R930 PolarHBondContact O-NH1 2.88Å; P393-L946 WeakPolarHBondContact CG-O 3.44Å; P393-H947 HydrophobicContact CG-CB 4.23Å; P393-H947 WeakPolarHBondContact CG-ND1 3.41Å; P393-V974 HydrophobicContact CB-CG1 4.32Å; P393-V974 HydrophobicContact CG-CB 4.47Å; P393-V974 HydrophobicContact CG-CG1 4.03Å; P393-V974 HydrophobicContact CG-CG2 4.21Å
394	A	96.7	Very high	98	Very high	33 Å²	33	11.5 Å²	11.5	27%	0.273	6%	0.055	S	C	.	.	H	α-helix	trans	-68.1	-46	171.9	0	0	0	0	0	111.6	R392 Y397 Y398 L972 V974	R392-A394 PolarHBondContact O-N 2.89Å; A394-Y397 PolarHBondContact O-N 3.4Å; A394-Y398 PolarHBondContact O-N 2.87Å; A394-L972 HydrophobicContact CB-CD2 3.63Å; A394-V974 HydrophobicContact CB-CG2 4.23Å
395	L	98	Very high	98	Very high	10 Å²	10	12 Å²	12	5%	0.052	6%	0.058	C	C	.	.	H	α-helix	trans	-60.8	-47.1	177	178.8	64	0	0	0	111.3	R392 Y397 Y398 I399 A447 T457 L464	R392-L395 HydrophobicContact CB-CB 4.25Å; R392-L395 PolarHBondContact O-N 3.1Å; R392-L395 VanDerWaalsContact O-N 3.16Å; L395-Y397 VanDerWaalsContact C-N 3.26Å; L395-Y397 PolarHBondContact O-N 2.98Å; L395-Y398 WeakPolarHBondContact O-CB 3.22Å; L395-Y398 PolarHBondContact O-N 3.13Å; L395-I399 HydrophobicContact CD1-CD1 4.37Å; L395-I399 HydrophobicContact CD1-CG1 4.43Å; L395-I399 HydrophobicContact CG-CD1 4.04Å; L395-I399 WeakPolarHBondContact O-CG1 3.34Å; L395-I399 PolarHBondContact O-N 3.42Å; L395-A447 WeakPolarHBondContact CD2-O 3.47Å; L395-T457 HydrophobicContact CD2-CG2 4.25Å; L395-L464 HydrophobicContact CD1-CD1 4.02Å
396	K	98.6	Very high	98	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.017	6%	0.057	C	C	.	.	H	α-helix	trans	-55.5	-41	178.3	-74.5	170.5	175.9	160.9	0	113.2	Y388 Y389 T390 S391 R392 R400 V448 T449 R930	Y388-K396 PolarHBondContact O-NZ 3.21Å; Y389-K396 PolarHBondContact O-NZ 2.87Å; T390-K396 VanDerWaalsContact C-NZ 3.31Å; S391-K396 WeakPolarHBondContact O-CE 3.24Å; S391-K396 PolarHBondContact O-NZ 2.86Å; R392-K396 PolarHBondContact O-N 3.37Å; K396-R400 VanDerWaalsContact O-CG 3.31Å; K396-R400 WeakPolarHBondContact O-CG 3.33Å; K396-R400 PolarHBondContact O-N 3.28Å; K396-R400 VanDerWaalsContact O-N 3.11Å; K396-V448 WeakPolarHBondContact CE-O 3.24Å; K396-V448 WeakPolarHBondContact CG-O 3.32Å; K396-T449 PolarHBondContact NZ-O 2.64Å; K396-R930 HydrophobicContact CB-CB 4.29Å
397	Y	98	Very high	97.9	Very high	40 Å²	40	12 Å²	12	16%	0.157	6%	0.059	C	C	.	.	H	α-helix	trans	-70.2	-38.8	175.6	-179.9	-106.5	0	0	0	112.8	P393 A394 L395 I399 R400 Q401 N503 D929 R930	P393-Y397 PolarHBondContact O-N 3.02Å; A394-Y397 PolarHBondContact O-N 3.4Å; L395-Y397 VanDerWaalsContact C-N 3.26Å; L395-Y397 PolarHBondContact O-N 2.98Å; Y397-I399 VanDerWaalsContact C-N 3.28Å; Y397-I399 PolarHBondContact O-N 3.18Å; Y397-R400 WeakPolarHBondContact O-CB 3.46Å; Y397-R400 PolarHBondContact O-N 2.92Å; Y397-R400 VanDerWaalsContact O-N 3.16Å; Y397-Q401 HydrophobicContact CD1-CG 4.14Å; Y397-Q401 HydrophobicContact CD2-CG 4.46Å; Y397-Q401 HydrophobicContact CE1-CG 3.79Å; Y397-Q401 HydrophobicContact CE2-CG 4.18Å; Y397-Q401 HydrophobicContact CG-CG 4.48Å; Y397-Q401 WeakPolarHBondContact O-CG 3.28Å; Y397-Q401 PolarHBondContact O-N 3.4Å; Y397-Q401 PolarHBondContact OH-NE2 3.14Å; Y397-N503 HydrophobicContact CE1-CB 3.81Å; Y397-D929 HydrophobicContact CD2-CB 4.33Å; Y397-D929 HydrophobicContact CE2-CB 4.17Å; Y397-R930 VanDerWaalsContact CD2-CZ 3.42Å; Y397-R930 VanDerWaalsContact CG-NH2 3.26Å
398	Y	97.8	Very high	97.8	Very high	66 Å²	66	12 Å²	12	26%	0.259	6%	0.059	S	C	.	.	H	α-helix	trans	-61.7	-41.1	176.2	-169.4	-163	0	0	0	111.4	A394 L395 R400 Q401 A402 L464 Y465 T468	A394-Y398 PolarHBondContact O-N 2.87Å; L395-Y398 WeakPolarHBondContact O-CB 3.22Å; L395-Y398 PolarHBondContact O-N 3.13Å; Y398-R400 PolarHBondContact O-N 3.3Å; Y398-Q401 PolarHBondContact O-N 3.39Å; Y398-A402 VanDerWaalsContact O-CB 3.28Å; Y398-A402 WeakPolarHBondContact O-CB 3.28Å; Y398-A402 PolarHBondContact O-N 3.2Å; Y398-L464 HydrophobicContact CD1-CB 3.93Å; Y398-L464 HydrophobicContact CD1-CD1 3.7Å; Y398-L464 HydrophobicContact CD1-CG 4.46Å; Y398-L464 HydrophobicContact CE1-CB 3.41Å; Y398-L464 VanDerWaalsContact CE1-CB 3.41Å; Y398-L464 HydrophobicContact CE1-CD1 4.1Å; Y398-L464 HydrophobicContact CE1-CG 4.39Å; Y398-L464 HydrophobicContact CE2-CB 4.38Å; Y398-L464 HydrophobicContact CG-CD1 4.14Å; Y398-Y465 WeakPolarHBondContact OH-CA 3.38Å; Y398-Y465 PolarHBondContact OH-N 3.46Å; Y398-T468 HydrophobicContact CE2-CG2 4.45Å
399	I	98.7	Very high	97.6	Very high	1 Å²	1	12 Å²	12	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-58.9	-46.9	172.7	-64.7	169.3	0	0	0	111	L395 Y397 Q401 A402 S403 L439 V442 V448 L464	L395-I399 HydrophobicContact CD1-CD1 4.37Å; L395-I399 HydrophobicContact CD1-CG1 4.43Å; L395-I399 HydrophobicContact CG-CD1 4.04Å; L395-I399 WeakPolarHBondContact O-CG1 3.34Å; L395-I399 PolarHBondContact O-N 3.42Å; Y397-I399 VanDerWaalsContact C-N 3.28Å; Y397-I399 PolarHBondContact O-N 3.18Å; I399-Q401 VanDerWaalsContact C-N 3.34Å; I399-Q401 PolarHBondContact O-N 3.39Å; I399-A402 PolarHBondContact O-N 2.73Å; I399-S403 WeakPolarHBondContact O-CB 3.03Å; I399-S403 PolarHBondContact O-N 2.96Å; I399-L439 HydrophobicContact CG2-CD2 4.33Å; I399-V442 HydrophobicContact CD1-CB 3.99Å; I399-V442 HydrophobicContact CD1-CG2 3.95Å; I399-V442 HydrophobicContact CG1-CB 4.24Å; I399-V442 HydrophobicContact CG1-CG2 3.77Å; I399-V442 HydrophobicContact CG2-CG2 4.14Å; I399-V448 HydrophobicContact CD1-CB 4.06Å; I399-V448 HydrophobicContact CD1-CG2 4.02Å; I399-L464 HydrophobicContact CG1-CD1 3.94Å
400	R	97.5	Very high	97.4	Very high	11 Å²	11	12.8 Å²	12.8	4%	0.042	6%	0.062	C	C	.	.	H	α-helix	trans	-57.7	-45.4	177	-72.7	-82.3	174.7	-96.4	-11.6	112.3	T147 Y149 D152 K396 Y397 Y398 N404 S931 R1000	T147-R400 PolarHBondContact O-NH2 3.45Å; Y149-R400 VanDerWaalsContact CB-CZ 3.43Å; D152-R400 IonicContact OD2-NH1 3.16Å; D152-R400 PolarHBondContact OD2-NH1 3.41Å; K396-R400 VanDerWaalsContact O-CG 3.31Å; K396-R400 WeakPolarHBondContact O-CG 3.33Å; K396-R400 PolarHBondContact O-N 3.28Å; K396-R400 VanDerWaalsContact O-N 3.11Å; Y397-R400 WeakPolarHBondContact O-CB 3.46Å; Y397-R400 PolarHBondContact O-N 2.92Å; Y397-R400 VanDerWaalsContact O-N 3.16Å; Y398-R400 PolarHBondContact O-N 3.3Å; R400-N404 PolarHBondContact O-N 3.06Å; R400-N404 VanDerWaalsContact O-N 3.1Å; R400-S931 PolarHBondContact NH2-OG 3.04Å; R400-R1000 PolarHBondContact O-NH1 3.27Å
401	Q	97.3	Very high	97.3	Very high	61 Å²	61	13 Å²	13	29%	0.285	6%	0.064	S	C	.	.	H	α-helix	trans	-68.4	-44.3	179.5	-68.4	-65.9	13.8	0	0	112.4	Y397 Y398 I399 S403 N404 L405	Y397-Q401 HydrophobicContact CD1-CG 4.14Å; Y397-Q401 HydrophobicContact CD2-CG 4.46Å; Y397-Q401 HydrophobicContact CE1-CG 3.79Å; Y397-Q401 HydrophobicContact CE2-CG 4.18Å; Y397-Q401 HydrophobicContact CG-CG 4.48Å; Y397-Q401 WeakPolarHBondContact O-CG 3.28Å; Y397-Q401 PolarHBondContact O-N 3.4Å; Y397-Q401 PolarHBondContact OH-NE2 3.14Å; Y398-Q401 PolarHBondContact O-N 3.39Å; I399-Q401 VanDerWaalsContact C-N 3.34Å; I399-Q401 PolarHBondContact O-N 3.39Å; Q401-S403 VanDerWaalsContact C-N 3.3Å; Q401-S403 PolarHBondContact O-N 3.06Å; Q401-N404 PolarHBondContact O-N 2.66Å; Q401-L405 PolarHBondContact O-N 3.28Å
402	A	98.4	Very high	97	Very high	2 Å²	2	13 Å²	13	2%	0.017	6%	0.064	C	C	.	.	H	α-helix	trans	-60.9	-39.4	176.7	0	0	0	0	0	111.8	Y398 I399 L405 L406 L435 L439 L464 T468	Y398-A402 VanDerWaalsContact O-CB 3.28Å; Y398-A402 WeakPolarHBondContact O-CB 3.28Å; Y398-A402 PolarHBondContact O-N 3.2Å; I399-A402 PolarHBondContact O-N 2.73Å; A402-L405 WeakPolarHBondContact O-CB 3.39Å; A402-L405 PolarHBondContact O-N 2.83Å; A402-L406 PolarHBondContact O-N 3.44Å; A402-L435 HydrophobicContact CB-CD1 4.37Å; A402-L439 HydrophobicContact CB-CD2 3.87Å; A402-L439 HydrophobicContact CB-CG 4.47Å; A402-L464 HydrophobicContact CB-CD2 3.76Å; A402-T468 HydrophobicContact CB-CG2 3.68Å
403	S	98.2	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68	-38.2	175.4	173.7	0	0	0	0	113	D152 I399 Q401 L405 L406 S407 R1000	D152-S403 WeakPolarHBondContact OD1-CB 2.83Å; D152-S403 PolarHBondContact OD1-OG 2.84Å; I399-S403 WeakPolarHBondContact O-CB 3.03Å; I399-S403 PolarHBondContact O-N 2.96Å; Q401-S403 VanDerWaalsContact C-N 3.3Å; Q401-S403 PolarHBondContact O-N 3.06Å; S403-L405 VanDerWaalsContact C-N 3.33Å; S403-L405 PolarHBondContact O-N 2.74Å; S403-L406 WeakPolarHBondContact O-CB 3.28Å; S403-L406 PolarHBondContact O-N 3.33Å; S403-S407 PolarHBondContact O-N 2.82Å; S403-R1000 PolarHBondContact OG-NH2 3Å
404	N	97.5	Very high	96.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62	-42.2	172	-169.7	36.1	0	0	0	111.8	R400 Q401 L406 S407 M408 R1001 P1002 I1004	R400-N404 PolarHBondContact O-N 3.06Å; R400-N404 VanDerWaalsContact O-N 3.1Å; Q401-N404 PolarHBondContact O-N 2.66Å; N404-L406 VanDerWaalsContact C-N 3.34Å; N404-L406 PolarHBondContact O-N 2.68Å; N404-S407 PolarHBondContact O-N 3.48Å; N404-M408 PolarHBondContact O-N 2.75Å; N404-R1001 WeakPolarHBondContact OD1-CA 3.29Å; N404-R1001 WeakPolarHBondContact OD1-CB 3.34Å; N404-P1002 PolarHBondContact ND2-O 3.16Å; N404-I1004 WeakPolarHBondContact ND2-CG1 3.42Å
405	L	97.7	Very high	95.9	Very high	12 Å²	12	11.8 Å²	11.8	6%	0.063	5%	0.053	C	C	.	.	H	α-helix	trans	-61.9	-39	174.5	-179.9	67.5	0	0	0	112.2	Q401 A402 S403 M408 C409 L435 T468 Q472 I475 F498	Q401-L405 PolarHBondContact O-N 3.28Å; A402-L405 WeakPolarHBondContact O-CB 3.39Å; A402-L405 PolarHBondContact O-N 2.83Å; S403-L405 VanDerWaalsContact C-N 3.33Å; S403-L405 PolarHBondContact O-N 2.74Å; L405-M408 HydrophobicContact CD1-CE 3.4Å; L405-M408 PolarHBondContact O-N 2.82Å; L405-C409 WeakPolarHBondContact O-CB 3.19Å; L405-C409 PolarHBondContact O-N 3.32Å; L405-L435 HydrophobicContact CD2-CD2 4.47Å; L405-T468 HydrophobicContact CD2-CG2 3.84Å; L405-Q472 HydrophobicContact CD1-CG 4.47Å; L405-Q472 HydrophobicContact CD2-CG 4.09Å; L405-I475 HydrophobicContact CD1-CD1 3.72Å; L405-F498 HydrophobicContact CD1-CE1 4.09Å
406	L	97.7	Very high	95.3	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-58.6	-49	175.9	175.4	61.9	0	0	0	110.8	A402 S403 N404 M408 C409 E410 I432 L435 R436 L439	A402-L406 PolarHBondContact O-N 3.44Å; S403-L406 WeakPolarHBondContact O-CB 3.28Å; S403-L406 PolarHBondContact O-N 3.33Å; N404-L406 VanDerWaalsContact C-N 3.34Å; N404-L406 PolarHBondContact O-N 2.68Å; L406-M408 VanDerWaalsContact C-N 3.3Å; L406-M408 PolarHBondContact O-N 3.37Å; L406-C409 WeakPolarHBondContact O-CA 3.4Å; L406-C409 WeakPolarHBondContact O-CB 3.47Å; L406-C409 PolarHBondContact O-N 3.05Å; L406-E410 HydrophobicContact CD1-CG 3.93Å; L406-E410 HydrophobicContact CG-CG 4.3Å; L406-E410 WeakPolarHBondContact O-CG 3.37Å; L406-E410 PolarHBondContact O-N 2.8Å; L406-I432 HydrophobicContact CD1-CG2 3.8Å; L406-L435 HydrophobicContact CB-CD2 3.82Å; L406-L435 HydrophobicContact CB-CG 4.28Å; L406-L435 HydrophobicContact CD1-CB 4.45Å; L406-L435 HydrophobicContact CD1-CD2 4.3Å; L406-L435 HydrophobicContact CD1-CG 4.36Å; L406-R436 HydrophobicContact CD1-CG 3.85Å; L406-R436 HydrophobicContact CD2-CG 4Å; L406-L439 HydrophobicContact CB-CD1 3.69Å; L406-L439 HydrophobicContact CD2-CD1 3.6Å; L406-L439 HydrophobicContact CG-CD1 4.24Å
407	S	96.6	Very high	94.5	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.042	7%	0.067	C	C	.	.	H	α-helix	trans	-62.2	-37.9	179	-57.6	0	0	0	0	112.8	S403 N404 C409 Q411 R1001	S403-S407 PolarHBondContact O-N 2.82Å; N404-S407 PolarHBondContact O-N 3.48Å; S407-C409 VanDerWaalsContact C-N 3.34Å; S407-Q411 WeakPolarHBondContact O-CB 3.37Å; S407-Q411 WeakPolarHBondContact O-CG 2.96Å; S407-Q411 PolarHBondContact O-N 2.79Å; S407-Q411 VanDerWaalsContact O-N 3.1Å; S407-R1001 PolarHBondContact OG-NH1 3.4Å; S407-R1001 PolarHBondContact OG-NH2 3.38Å; S407-R1001 VanDerWaalsContact OG-NH2 3.09Å
408	M	96	Very high	93.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.8	-44.1	171.7	176.2	174.5	82.9	0	0	111.4	N404 L405 L406 I412 I475 F498 Y541 I1004 M1006	N404-M408 PolarHBondContact O-N 2.75Å; L405-M408 HydrophobicContact CD1-CE 3.4Å; L405-M408 PolarHBondContact O-N 2.82Å; L406-M408 VanDerWaalsContact C-N 3.3Å; L406-M408 PolarHBondContact O-N 3.37Å; M408-I412 HydrophobicContact CG-CD1 3.43Å; M408-I412 VanDerWaalsContact CG-CD1 3.43Å; M408-I412 HydrophobicContact CG-CG1 4.24Å; M408-I412 WeakPolarHBondContact O-CB 3.49Å; M408-I412 VanDerWaalsContact O-CG1 3.25Å; M408-I412 WeakPolarHBondContact O-CG1 3.35Å; M408-I412 PolarHBondContact O-N 2.86Å; M408-I412 HydrophobicContact SD-CD1 4.16Å; M408-I475 HydrophobicContact CE-CD1 3.41Å; M408-I475 VanDerWaalsContact CE-CD1 3.41Å; M408-I475 HydrophobicContact CE-CG1 4.33Å; M408-I475 HydrophobicContact CE-CG2 4.19Å; M408-I475 HydrophobicContact CG-CD1 4.49Å; M408-F498 HydrophobicContact CE-CE1 3.5Å; M408-F498 VanDerWaalsContact CE-CE1 3.5Å; M408-F498 HydrophobicContact CE-CZ 3.87Å; M408-Y541 HydrophobicContact CB-CD1 3.82Å; M408-Y541 HydrophobicContact CB-CE1 3.76Å; M408-Y541 HydrophobicContact CG-CD1 3.36Å; M408-Y541 HydrophobicContact CG-CD2 4.37Å; M408-Y541 HydrophobicContact CG-CE1 3.52Å; M408-Y541 HydrophobicContact CG-CG 3.82Å; M408-Y541 HydrophobicContact SD-CD1 3.56Å; M408-Y541 VanDerWaalsContact SD-CD1 3.56Å; M408-Y541 HydrophobicContact SD-CD2 4.48Å; M408-Y541 HydrophobicContact SD-CE1 4.35Å; M408-Y541 HydrophobicContact SD-CG 3.63Å; M408-I1004 HydrophobicContact CB-CD1 4.01Å; M408-I1004 HydrophobicContact CE-CD1 4.07Å; M408-I1004 HydrophobicContact CE-CG2 4.02Å; M408-I1004 HydrophobicContact SD-CB 4.02Å; M408-I1004 HydrophobicContact SD-CD1 3.81Å; M408-I1004 HydrophobicContact SD-CG1 4.48Å; M408-I1004 HydrophobicContact SD-CG2 4.13Å; M408-M1006 HydrophobicContact CE-SD 4.24Å; M408-M1006 HydrophobicContact SD-SD 4.49Å
409	C	95.3	Very high	92.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.8	-47.7	179.8	-164.9	0	0	0	0	112	L405 L406 S407 H413 C471 I475	L405-C409 WeakPolarHBondContact O-CB 3.19Å; L405-C409 PolarHBondContact O-N 3.32Å; L406-C409 WeakPolarHBondContact O-CA 3.4Å; L406-C409 WeakPolarHBondContact O-CB 3.47Å; L406-C409 PolarHBondContact O-N 3.05Å; S407-C409 VanDerWaalsContact C-N 3.34Å; C409-H413 WeakPolarHBondContact O-CB 3.29Å; C409-H413 PolarHBondContact O-N 3.35Å; C409-C471 HydrophobicContact CB-CB 3.91Å; C409-C471 VanDerWaalsContact SG-CB 3.53Å; C409-C471 PolarHBondContact SG-SG 3.3Å; C409-I475 HydrophobicContact CB-CD1 3.79Å; C409-I475 HydrophobicContact CB-CG1 4Å
410	E	94.5	Very high	90.5	Very high	16 Å²	16	14.2 Å²	14.2	8%	0.075	8%	0.077	C	C	.	.	H	α-helix	trans	-61.3	-46.7	178.9	-69.7	-179.2	143.1	0	0	112	L406 L414 I432 R436	L406-E410 HydrophobicContact CD1-CG 3.93Å; L406-E410 HydrophobicContact CG-CG 4.3Å; L406-E410 WeakPolarHBondContact O-CG 3.37Å; L406-E410 PolarHBondContact O-N 2.8Å; E410-L414 VanDerWaalsContact O-CB 3.23Å; E410-L414 WeakPolarHBondContact O-CB 3.29Å; E410-L414 PolarHBondContact O-N 2.99Å; E410-I432 HydrophobicContact CG-CG2 3.91Å; E410-R436 IonicContact OE1-CZ 3.83Å; E410-R436 VanDerWaalsContact OE1-CZ 3.26Å; E410-R436 IonicContact OE1-NE 3.57Å; E410-R436 PolarHBondContact OE1-NE 2.93Å; E410-R436 IonicContact OE1-NH2 3.03Å; E410-R436 PolarHBondContact OE1-NH2 3.31Å
411	Q	95.1	Very high	88.4	Confident	5 Å²	5	20.9 Å²	20.9	2%	0.023	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-53.8	179.5	-69.9	169.1	-3.3	0	0	110.9	S407 H413 L414 F415 Y541 P543 V631 L1038	S407-Q411 WeakPolarHBondContact O-CB 3.37Å; S407-Q411 WeakPolarHBondContact O-CG 2.96Å; S407-Q411 PolarHBondContact O-N 2.79Å; S407-Q411 VanDerWaalsContact O-N 3.1Å; Q411-H413 VanDerWaalsContact C-N 3.34Å; Q411-H413 PolarHBondContact O-N 3.19Å; Q411-L414 WeakPolarHBondContact O-CB 3.26Å; Q411-L414 PolarHBondContact O-N 2.8Å; Q411-F415 WeakPolarHBondContact O-CD2 3.46Å; Q411-F415 PolarHBondContact O-N 2.83Å; Q411-Y541 WeakPolarHBondContact CB-OH 3.46Å; Q411-Y541 PolarHBondContact OE1-OH 3.33Å; Q411-P543 PolarHBondContact NE2-O 3.26Å; Q411-V631 HydrophobicContact CB-CG1 4.25Å; Q411-V631 HydrophobicContact CG-CG1 4.16Å; Q411-L1038 HydrophobicContact CG-CB 4.32Å; Q411-L1038 HydrophobicContact CG-CD2 4.31Å
412	I	92.8	Very high	86.1	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-44.1	-177.7	-69.4	174.7	0	0	0	111.1	M408 F415 A416 I475 Y479 L482 Y541	M408-I412 HydrophobicContact CG-CD1 3.43Å; M408-I412 VanDerWaalsContact CG-CD1 3.43Å; M408-I412 HydrophobicContact CG-CG1 4.24Å; M408-I412 WeakPolarHBondContact O-CB 3.49Å; M408-I412 VanDerWaalsContact O-CG1 3.25Å; M408-I412 WeakPolarHBondContact O-CG1 3.35Å; M408-I412 PolarHBondContact O-N 2.86Å; M408-I412 HydrophobicContact SD-CD1 4.16Å; I412-F415 PolarHBondContact O-N 3.08Å; I412-A416 VanDerWaalsContact O-CB 3.29Å; I412-A416 WeakPolarHBondContact O-CB 3.41Å; I412-A416 PolarHBondContact O-N 2.72Å; I412-I475 HydrophobicContact CD1-CG2 3.95Å; I412-Y479 HydrophobicContact CD1-CD2 4.18Å; I412-Y479 HydrophobicContact CD1-CE2 3.33Å; I412-Y479 HydrophobicContact CG1-CE2 4.5Å; I412-Y479 HydrophobicContact CG2-CD2 4.46Å; I412-L482 HydrophobicContact CG2-CD1 3.95Å; I412-Y541 HydrophobicContact CD1-CD2 3.89Å; I412-Y541 HydrophobicContact CD1-CE2 3.73Å; I412-Y541 HydrophobicContact CD1-CG 4.44Å; I412-Y541 HydrophobicContact CG1-CD2 4.24Å; I412-Y541 HydrophobicContact CG1-CE2 3.57Å
413	H	89	Confident	83.4	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.019	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-43.9	179.3	-179.2	62.2	0	0	0	112	C409 Q411 F415 A416 N417 I432 L474	C409-H413 WeakPolarHBondContact O-CB 3.29Å; C409-H413 PolarHBondContact O-N 3.35Å; Q411-H413 VanDerWaalsContact C-N 3.34Å; Q411-H413 PolarHBondContact O-N 3.19Å; H413-F415 PolarHBondContact O-N 3.06Å; H413-A416 PolarHBondContact O-N 2.74Å; H413-N417 PolarHBondContact CE1-ND2 3.06Å; H413-N417 PolarHBondContact CE1-OD1 3.46Å; H413-N417 PolarHBondContact NE2-ND2 2.71Å; H413-N417 PolarHBondContact O-N 2.85Å; H413-I432 HydrophobicContact CB-CD1 3.66Å; H413-I432 WeakPolarHBondContact CD2-CD1 3.5Å; H413-L474 HydrophobicContact CB-CD2 4.16Å
414	L	89.7	Confident	80.9	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-53.1	-53.3	176.3	172	65.6	0	0	0	111	E410 Q411 N417 H418 L1038 I1055	E410-L414 VanDerWaalsContact O-CB 3.23Å; E410-L414 WeakPolarHBondContact O-CB 3.29Å; E410-L414 PolarHBondContact O-N 2.99Å; Q411-L414 WeakPolarHBondContact O-CB 3.26Å; Q411-L414 PolarHBondContact O-N 2.8Å; L414-N417 PolarHBondContact O-N 2.98Å; L414-H418 PolarHBondContact O-CD2 2.61Å; L414-H418 PolarHBondContact O-N 3.08Å; L414-L1038 HydrophobicContact CD2-CD1 3.77Å; L414-L1038 HydrophobicContact CD2-CD2 4.23Å; L414-L1038 HydrophobicContact CD2-CG 3.71Å; L414-I1055 HydrophobicContact CD1-CG2 3.61Å; L414-I1055 HydrophobicContact CD2-CG2 4Å; L414-I1055 HydrophobicContact CG-CG2 4.42Å
415	F	89.2	Confident	78.4	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-35.2	-177.6	-65.7	-69.1	0	0	0	113.4	Q411 I412 H413 N417 H418 L482 V631 W1022 G1024 L1038 F1079	Q411-F415 WeakPolarHBondContact O-CD2 3.46Å; Q411-F415 PolarHBondContact O-N 2.83Å; I412-F415 PolarHBondContact O-N 3.08Å; H413-F415 PolarHBondContact O-N 3.06Å; F415-N417 PolarHBondContact O-N 2.78Å; F415-H418 AromaticContact CD1-ND1 3.86Å; F415-H418 WeakPolarHBondContact O-CB 3.47Å; F415-H418 PolarHBondContact O-N 2.63Å; F415-H418 VanDerWaalsContact O-N 3.16Å; F415-L482 HydrophobicContact CB-CD2 4.35Å; F415-V631 HydrophobicContact CE2-CG1 3.78Å; F415-V631 HydrophobicContact CZ-CG1 4.38Å; F415-W1022 HydrophobicContact CB-CH2 3.44Å; F415-W1022 VanDerWaalsContact CB-CH2 3.44Å; F415-W1022 HydrophobicContact CB-CZ2 3.72Å; F415-W1022 HydrophobicContact CD1-CH2 4.23Å; F415-W1022 HydrophobicContact CD1-CZ2 4.23Å; F415-W1022 AromaticContact CD2-CH2 3.45Å; F415-W1022 HydrophobicContact CD2-CH2 3.45Å; F415-W1022 VanDerWaalsContact CD2-CH2 3.45Å; F415-W1022 HydrophobicContact CD2-CZ2 4.25Å; F415-W1022 HydrophobicContact CD2-CZ3 4.34Å; F415-W1022 HydrophobicContact CE2-CH2 4.24Å; F415-W1022 AromaticContact CG-CH2 3.45Å; F415-W1022 HydrophobicContact CG-CH2 3.45Å; F415-W1022 VanDerWaalsContact CG-CH2 3.45Å; F415-W1022 AromaticContact CG-CZ2 3.83Å; F415-W1022 HydrophobicContact CG-CZ2 3.83Å; F415-G1024 WeakPolarHBondContact CE1-O 3.18Å; F415-G1024 VanDerWaalsContact CZ-CA 3.49Å; F415-G1024 WeakPolarHBondContact CZ-O 3.38Å; F415-L1038 HydrophobicContact CE2-CD2 4Å; F415-L1038 HydrophobicContact CZ-CD2 3.91Å; F415-F1079 HydrophobicContact CE1-CB 4.13Å; F415-F1079 HydrophobicContact CE1-CD1 4.46Å; F415-F1079 HydrophobicContact CZ-CD1 4.13Å
416	A	85.5	Confident	76.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-28.9	176.3	0	0	0	0	0	112.7	I412 H413 H418 K481 L482	I412-A416 VanDerWaalsContact O-CB 3.29Å; I412-A416 WeakPolarHBondContact O-CB 3.41Å; I412-A416 PolarHBondContact O-N 2.72Å; H413-A416 PolarHBondContact O-N 2.74Å; A416-H418 VanDerWaalsContact C-N 3.34Å; A416-K481 HydrophobicContact CB-CB 4.37Å; A416-K481 HydrophobicContact CB-CD 4.33Å; A416-L482 HydrophobicContact CB-CG 4.38Å
417	N	81.7	Confident	74.1	Confident	68 Å²	68	47.4 Å²	47.4	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-75.3	-21.4	174.7	-75.2	-11.1	0	0	0	113.4	H413 L414 F415 I419	H413-N417 PolarHBondContact CE1-ND2 3.06Å; H413-N417 PolarHBondContact CE1-OD1 3.46Å; H413-N417 PolarHBondContact NE2-ND2 2.71Å; H413-N417 PolarHBondContact O-N 2.85Å; L414-N417 PolarHBondContact O-N 2.98Å; F415-N417 PolarHBondContact O-N 2.78Å; N417-I419 VanDerWaalsContact C-N 3.29Å; N417-I419 PolarHBondContact O-N 3.12Å
418	H	76.7	Confident	72.9	Confident	3 Å²	3	48.7 Å²	48.7	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-70.5	-26	175.8	-60.1	165.4	0	0	0	112.4	L414 F415 A416 P420 I1082 Y1144 Y1151	L414-H418 PolarHBondContact O-CD2 2.61Å; L414-H418 PolarHBondContact O-N 3.08Å; F415-H418 AromaticContact CD1-ND1 3.86Å; F415-H418 WeakPolarHBondContact O-CB 3.47Å; F415-H418 PolarHBondContact O-N 2.63Å; F415-H418 VanDerWaalsContact O-N 3.16Å; A416-H418 VanDerWaalsContact C-N 3.34Å; H418-P420 WeakPolarHBondContact O-CD 3.45Å; H418-I1082 HydrophobicContact CB-CG2 4.4Å; H418-Y1144 AromaticContact CD2-CE2 3.97Å; H418-Y1144 AromaticContact CD2-CZ 3.95Å; H418-Y1144 AromaticContact NE2-CE2 3.79Å; H418-Y1144 AromaticContact NE2-CZ 3.51Å; H418-Y1144 PolarHBondContact NE2-OH 2.97Å; H418-Y1151 HydrophobicContact CB-CE1 3.74Å; H418-Y1151 VanDerWaalsContact CB-OH 3.25Å; H418-Y1151 WeakPolarHBondContact CB-OH 3.36Å; H418-Y1151 WeakPolarHBondContact O-CE2 3.42Å; H418-Y1151 PolarHBondContact O-OH 3.14Å
419	I	70.5	Confident	72.1	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.097	26%	0.263	C	S	.	.	S	Bend	trans	-72	114	-179.5	-61.9	164.6	0	0	0	110.4	N417 K481 L482 Y1151 F1152	N417-I419 VanDerWaalsContact C-N 3.29Å; N417-I419 PolarHBondContact O-N 3.12Å; I419-K481 HydrophobicContact CD1-CB 4.13Å; I419-K481 WeakPolarHBondContact CD1-O 3.43Å; I419-L482 HydrophobicContact CD1-CD2 3.86Å; I419-Y1151 HydrophobicContact CB-CD1 4.22Å; I419-Y1151 HydrophobicContact CB-CG 4.41Å; I419-Y1151 HydrophobicContact CD1-CD1 4.44Å; I419-Y1151 HydrophobicContact CG1-CD1 3.34Å; I419-Y1151 HydrophobicContact CG1-CE1 3.89Å; I419-Y1151 HydrophobicContact CG1-CG 3.87Å; I419-F1152 HydrophobicContact CD1-CE2 3.91Å; I419-F1152 HydrophobicContact CD1-CZ 4.26Å
420	P	63.2	Low	71.6	Confident	82 Å²	82	57.3 Å²	57.3	53%	0.532	30%	0.297	S	S	.	.			trans	-67.2	139.1	176.1	-16.9	31.9	0	0	0	111.7	H418 I1146 Y1151	H418-P420 WeakPolarHBondContact O-CD 3.45Å; P420-I1146 HydrophobicContact CG-CG2 4.43Å; P420-Y1151 HydrophobicContact CG-CE2 4.31Å
421	N	54.4	Low	71.4	Confident	151 Å²	151	58.3 Å²	58.3	81%	0.807	30%	0.303	S	S	*	.			trans	60.1	57.2	156.6	-141.9	15.2	0	0	0	118.7
422	K	48.4	Very low	71.3	Confident	77 Å²	77	58.1 Å²	58.1	34%	0.335	30%	0.302	S	S	.	.	S	Bend	trans	-107.1	82.9	151.4	-84.2	-178.9	176.9	173.7	0	109.4	N424 M480 K481 L483	K422-N424 VanDerWaalsContact C-N 3.26Å; K422-N424 PolarHBondContact O-N 3.37Å; K422-M480 PolarHBondContact NZ-O 2.97Å; K422-K481 HydrophobicContact CD-CG 4.41Å; K422-K481 PolarHBondContact NZ-O 3.39Å; K422-L483 PolarHBondContact NZ-O 3Å
423	N	42.5	Very low	71.3	Confident	153 Å²	153	58.6 Å²	58.6	82%	0.818	31%	0.305	S	S	*	.	S	Bend	trans	35.4	17.9	159.5	-76.1	-9.8	0	0	0	122.5
424	N	46.1	Very low	71.6	Confident	72 Å²	72	61.6 Å²	61.6	39%	0.385	32%	0.319	S	S	.	.			trans	-158.6	115.6	165.1	-125.8	-39.1	0	0	0	113.3	K422 Y426	K422-N424 VanDerWaalsContact C-N 3.26Å; K422-N424 PolarHBondContact O-N 3.37Å; N424-Y426 HydrophobicContact CB-CD2 3.63Å; N424-Y426 HydrophobicContact CB-CE2 3.9Å; N424-Y426 HydrophobicContact CB-CG 4.38Å; N424-Y426 WeakPolarHBondContact ND2-CE2 2.98Å; N424-Y426 PolarHBondContact O-N 2.95Å
425	P	43.9	Very low	72	Confident	123 Å²	123	61.4 Å²	61.4	80%	0.799	32%	0.318	S	S	*	.			trans	-79	61.5	164.1	35.2	-31.2	0	0	0	108.8	D427	P425-D427 PolarHBondContact O-N 2.92Å
426	Y	48.9	Very low	72.4	Confident	139 Å²	139	61.4 Å²	61.4	55%	0.545	32%	0.318	S	S	.	.			trans	-75.7	77.6	160.3	-73	-56.2	0	0	0	107.2	N424 N428	N424-Y426 HydrophobicContact CB-CD2 3.63Å; N424-Y426 HydrophobicContact CB-CE2 3.9Å; N424-Y426 HydrophobicContact CB-CG 4.38Å; N424-Y426 WeakPolarHBondContact ND2-CE2 2.98Å; N424-Y426 PolarHBondContact O-N 2.95Å; Y426-N428 PolarHBondContact O-N 2.91Å
427	D	56.9	Low	73	Confident	69 Å²	69	64 Å²	64	37%	0.369	33%	0.33	S	S	.	.			trans	-64.9	89.6	159.4	-178.1	7.3	0	0	0	107.4	P425 K1048	P425-D427 PolarHBondContact O-N 2.92Å; D427-K1048 WeakPolarHBondContact OD2-CE 3.33Å; D427-K1048 IonicContact OD2-NZ 3.63Å; D427-K1048 PolarHBondContact OD2-NZ 2.86Å
428	N	70.1	Confident	73.8	Confident	34 Å²	34	61 Å²	61	18%	0.182	31%	0.314	C	S	.	.			trans	-104.6	31.5	-174.7	-84.4	-0.9	0	0	0	110.5	Y426 E430 N431 L474	Y426-N428 PolarHBondContact O-N 2.91Å; N428-E430 PolarHBondContact O-N 3.04Å; N428-N431 PolarHBondContact ND2-ND2 3.34Å; N428-N431 WeakPolarHBondContact O-CB 3.21Å; N428-N431 PolarHBondContact O-N 3.35Å; N428-L474 HydrophobicContact CB-CD1 3.83Å
429	E	79.1	Confident	74.8	Confident	24 Å²	24	61 Å²	61	11%	0.112	31%	0.314	C	S	.	.	H	α-helix	trans	-53.2	-26	174.8	-79.7	-165.3	160.6	0	0	112.1	N431 I432 N433 S1040 Y1044	E429-N431 VanDerWaalsContact C-N 3.26Å; E429-N431 PolarHBondContact O-N 3.46Å; E429-I432 PolarHBondContact O-N 3.38Å; E429-I432 VanDerWaalsContact O-N 3.13Å; E429-N433 WeakPolarHBondContact O-CB 3.12Å; E429-N433 VanDerWaalsContact O-CG 3.26Å; E429-N433 PolarHBondContact O-N 2.95Å; E429-N433 PolarHBondContact O-ND2 3.37Å; E429-S1040 PolarHBondContact OE1-OG 3.44Å; E429-Y1044 WeakPolarHBondContact OE2-CB 3.46Å
430	E	85.4	Confident	76.2	Confident	156 Å²	156	60.4 Å²	60.4	73%	0.729	31%	0.311	S	S	*	.	H	α-helix	trans	-52.8	-39.2	170.3	-170.7	178	179	0	0	113.1	N428 I432 N433 H434	N428-E430 PolarHBondContact O-N 3.04Å; E430-I432 PolarHBondContact O-N 3.34Å; E430-N433 PolarHBondContact O-N 2.95Å; E430-H434 PolarHBondContact O-N 2.95Å
431	N	90.2	Very high	77.9	Confident	37 Å²	37	57.1 Å²	57.1	20%	0.198	29%	0.289	C	S	.	.	H	α-helix	trans	-66.6	-37.7	178.8	-75.3	-42	0	0	0	112.4	N428 E429 L474	N428-N431 PolarHBondContact ND2-ND2 3.34Å; N428-N431 WeakPolarHBondContact O-CB 3.21Å; N428-N431 PolarHBondContact O-N 3.35Å; E429-N431 VanDerWaalsContact C-N 3.26Å; E429-N431 PolarHBondContact O-N 3.46Å; N431-L474 HydrophobicContact CB-CB 4.19Å; N431-L474 HydrophobicContact CB-CD2 4.31Å
432	I	92.5	Very high	80	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-70.9	-45	174.6	-57.8	177.3	0	0	0	109.4	L406 E410 H413 E429 E430 H434 L435 R436 L474	L406-I432 HydrophobicContact CD1-CG2 3.8Å; E410-I432 HydrophobicContact CG-CG2 3.91Å; H413-I432 HydrophobicContact CB-CD1 3.66Å; H413-I432 WeakPolarHBondContact CD2-CD1 3.5Å; E429-I432 PolarHBondContact O-N 3.38Å; E429-I432 VanDerWaalsContact O-N 3.13Å; E430-I432 PolarHBondContact O-N 3.34Å; I432-H434 PolarHBondContact O-N 3.17Å; I432-L435 PolarHBondContact O-N 3.04Å; I432-L435 VanDerWaalsContact O-N 3.11Å; I432-R436 HydrophobicContact CG2-CG 4.19Å; I432-R436 VanDerWaalsContact CG2-CZ 3.41Å; I432-R436 WeakPolarHBondContact O-CG 3.49Å; I432-R436 PolarHBondContact O-N 2.87Å; I432-L474 HydrophobicContact CD1-CD2 3.57Å; I432-L474 HydrophobicContact CG1-CD2 3.24Å
433	N	93.4	Very high	82.4	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.053	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-35.3	179.8	-73.4	-18.3	0	0	0	112.1	E429 E430 L435 R436 Q437 Y1044	E429-N433 WeakPolarHBondContact O-CB 3.12Å; E429-N433 VanDerWaalsContact O-CG 3.26Å; E429-N433 PolarHBondContact O-N 2.95Å; E429-N433 PolarHBondContact O-ND2 3.37Å; E430-N433 PolarHBondContact O-N 2.95Å; N433-L435 PolarHBondContact O-N 3.13Å; N433-R436 PolarHBondContact O-N 2.91Å; N433-R436 PolarHBondContact OD1-NH1 3.42Å; N433-Q437 WeakPolarHBondContact O-CB 3.27Å; N433-Q437 WeakPolarHBondContact O-CG 3.11Å; N433-Q437 PolarHBondContact O-N 3.28Å; N433-Y1044 PolarHBondContact ND2-O 2.83Å
434	H	95.6	Very high	85	Confident	67 Å²	67	39 Å²	39	31%	0.31	20%	0.196	S	C	.	.	H	α-helix	trans	-58.5	-49.1	174	-170.2	-174.5	0	0	0	111.5	E430 I432 V438 S470	E430-H434 PolarHBondContact O-N 2.95Å; I432-H434 PolarHBondContact O-N 3.17Å; H434-V438 VanDerWaalsContact O-CG2 3.27Å; H434-V438 WeakPolarHBondContact O-CG2 3.35Å; H434-V438 PolarHBondContact O-N 3.25Å; H434-V438 VanDerWaalsContact O-N 3.15Å; H434-S470 PolarHBondContact ND1-OG 2.85Å
435	L	97.9	Very high	87.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.9	-38.1	176.4	-176.3	54.9	0	0	0	112.4	A402 L405 L406 I432 N433 V438 L439 T468 C471	A402-L435 HydrophobicContact CB-CD1 4.37Å; L405-L435 HydrophobicContact CD2-CD2 4.47Å; L406-L435 HydrophobicContact CB-CD2 3.82Å; L406-L435 HydrophobicContact CB-CG 4.28Å; L406-L435 HydrophobicContact CD1-CB 4.45Å; L406-L435 HydrophobicContact CD1-CD2 4.3Å; L406-L435 HydrophobicContact CD1-CG 4.36Å; I432-L435 PolarHBondContact O-N 3.04Å; I432-L435 VanDerWaalsContact O-N 3.11Å; N433-L435 PolarHBondContact O-N 3.13Å; L435-V438 PolarHBondContact O-N 3.28Å; L435-L439 HydrophobicContact CD1-CD1 4.01Å; L435-L439 HydrophobicContact CD1-CG 4.01Å; L435-L439 HydrophobicContact CD2-CD1 4.44Å; L435-L439 HydrophobicContact CG-CD1 3.87Å; L435-L439 HydrophobicContact CG-CG 4.35Å; L435-L439 WeakPolarHBondContact O-CB 3.36Å; L435-L439 PolarHBondContact O-N 3.44Å; L435-T468 HydrophobicContact CD1-CG2 3.86Å; L435-T468 HydrophobicContact CD2-CG2 4.47Å; L435-C471 WeakPolarHBondContact CB-SG 3.43Å; L435-C471 HydrophobicContact CD2-CB 3.85Å; L435-C471 WeakPolarHBondContact CD2-SG 3.3Å
436	R	97.5	Very high	90.1	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-55	-58.3	174.6	-74.1	174.9	176.7	147.6	-3.3	110.6	Y159 L406 E410 I432 N433 V438 L439 H440 T1039	Y159-R436 HydrophobicContact CD2-CB 4.35Å; Y159-R436 HydrophobicContact CE2-CB 4.22Å; L406-R436 HydrophobicContact CD1-CG 3.85Å; L406-R436 HydrophobicContact CD2-CG 4Å; E410-R436 IonicContact OE1-CZ 3.83Å; E410-R436 VanDerWaalsContact OE1-CZ 3.26Å; E410-R436 IonicContact OE1-NE 3.57Å; E410-R436 PolarHBondContact OE1-NE 2.93Å; E410-R436 IonicContact OE1-NH2 3.03Å; E410-R436 PolarHBondContact OE1-NH2 3.31Å; I432-R436 HydrophobicContact CG2-CG 4.19Å; I432-R436 VanDerWaalsContact CG2-CZ 3.41Å; I432-R436 WeakPolarHBondContact O-CG 3.49Å; I432-R436 PolarHBondContact O-N 2.87Å; N433-R436 PolarHBondContact O-N 2.91Å; N433-R436 PolarHBondContact OD1-NH1 3.42Å; R436-V438 VanDerWaalsContact C-N 3.27Å; R436-V438 PolarHBondContact O-N 3.33Å; R436-L439 PolarHBondContact O-N 3.32Å; R436-L439 VanDerWaalsContact O-N 3.12Å; R436-H440 WeakPolarHBondContact O-CB 3.41Å; R436-H440 PolarHBondContact O-CD2 3.29Å; R436-H440 PolarHBondContact O-N 3.06Å; R436-H440 PolarHBondContact O-ND1 3.4Å; R436-H440 PolarHBondContact O-NE2 2.98Å; R436-T1039 PolarHBondContact NH2-OG1 3.1Å
437	Q	97.7	Very high	92.5	Very high	54 Å²	54	23.2 Å²	23.2	25%	0.252	11%	0.114	S	C	.	.	H	α-helix	trans	-56.7	-41.9	-178.2	-69.2	171.1	13.5	0	0	111.9	W140 Y159 N433 H440 I441	W140-Q437 HydrophobicContact CH2-CG 4.14Å; W140-Q437 HydrophobicContact CZ2-CB 4.01Å; W140-Q437 HydrophobicContact CZ2-CG 3.66Å; W140-Q437 PolarHBondContact NE1-O 2.69Å; Y159-Q437 HydrophobicContact CE1-CG 4.1Å; Y159-Q437 PolarHBondContact OH-NE2 3.19Å; N433-Q437 WeakPolarHBondContact O-CB 3.27Å; N433-Q437 WeakPolarHBondContact O-CG 3.11Å; N433-Q437 PolarHBondContact O-N 3.28Å; Q437-H440 PolarHBondContact O-N 3.21Å; Q437-I441 VanDerWaalsContact O-CG1 3.31Å; Q437-I441 WeakPolarHBondContact O-CG1 3.4Å; Q437-I441 PolarHBondContact O-N 3.36Å
438	V	98.5	Very high	94.5	Very high	6 Å²	6	20 Å²	20	4%	0.036	10%	0.097	C	C	.	.	H	α-helix	trans	-65.9	-47.6	176.8	170.4	0	0	0	0	111.9	H434 L435 R436 H440 I441 V442 R463 L464	H434-V438 VanDerWaalsContact O-CG2 3.27Å; H434-V438 WeakPolarHBondContact O-CG2 3.35Å; H434-V438 PolarHBondContact O-N 3.25Å; H434-V438 VanDerWaalsContact O-N 3.15Å; L435-V438 PolarHBondContact O-N 3.28Å; R436-V438 VanDerWaalsContact C-N 3.27Å; R436-V438 PolarHBondContact O-N 3.33Å; V438-H440 PolarHBondContact O-N 3.2Å; V438-I441 WeakPolarHBondContact O-CB 3.37Å; V438-I441 PolarHBondContact O-N 3.28Å; V438-V442 WeakPolarHBondContact O-CG2 3.42Å; V438-V442 PolarHBondContact O-N 3.33Å; V438-R463 HydrophobicContact CB-CB 4.49Å; V438-R463 VanDerWaalsContact CG1-C 3.47Å; V438-R463 HydrophobicContact CG1-CB 3.74Å; V438-R463 HydrophobicContact CG2-CB 3.95Å; V438-L464 HydrophobicContact CG1-CB 4.41Å; V438-L464 HydrophobicContact CG1-CD2 3.83Å; V438-L464 HydrophobicContact CG1-CG 3.95Å
439	L	98.6	Very high	95.8	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-60.3	-35.6	177.1	-85	169.6	0	0	0	111.8	I399 A402 L406 L435 R436 V442 Q443 L464	I399-L439 HydrophobicContact CG2-CD2 4.33Å; A402-L439 HydrophobicContact CB-CD2 3.87Å; A402-L439 HydrophobicContact CB-CG 4.47Å; L406-L439 HydrophobicContact CB-CD1 3.69Å; L406-L439 HydrophobicContact CD2-CD1 3.6Å; L406-L439 HydrophobicContact CG-CD1 4.24Å; L435-L439 HydrophobicContact CD1-CD1 4.01Å; L435-L439 HydrophobicContact CD1-CG 4.01Å; L435-L439 HydrophobicContact CD2-CD1 4.44Å; L435-L439 HydrophobicContact CG-CD1 3.87Å; L435-L439 HydrophobicContact CG-CG 4.35Å; L435-L439 WeakPolarHBondContact O-CB 3.36Å; L435-L439 PolarHBondContact O-N 3.44Å; R436-L439 PolarHBondContact O-N 3.32Å; R436-L439 VanDerWaalsContact O-N 3.12Å; L439-V442 HydrophobicContact CD2-CG2 4.44Å; L439-V442 VanDerWaalsContact O-CG2 3.31Å; L439-V442 WeakPolarHBondContact O-CG2 3.35Å; L439-Q443 VanDerWaalsContact O-CG 3.31Å; L439-Q443 WeakPolarHBondContact O-CG 3.18Å; L439-Q443 PolarHBondContact O-N 3Å; L439-Q443 PolarHBondContact O-NE2 3.43Å; L439-L464 HydrophobicContact CD2-CD2 4.16Å
440	H	98.6	Very high	96.7	Very high	7 Å²	7	17.2 Å²	17.2	3%	0.032	8%	0.083	C	C	.	.	H	α-helix	trans	-72.9	-34.8	178	-59.5	-15	0	0	0	112.4	W140 S141 Q156 Y159 R436 Q437 V438	W140-H440 HydrophobicContact CB-CB 3.57Å; W140-H440 HydrophobicContact CD2-CB 4.48Å; W140-H440 HydrophobicContact CG-CB 3.47Å; W140-H440 VanDerWaalsContact CG-CB 3.47Å; S141-H440 WeakPolarHBondContact CB-O 3.34Å; S141-H440 PolarHBondContact OG-O 2.97Å; Q156-H440 WeakPolarHBondContact CA-ND1 3.22Å; Q156-H440 HydrophobicContact CB-CB 3.77Å; Y159-H440 VanDerWaalsContact CB-CD2 3.48Å; Y159-H440 WeakPolarHBondContact CB-CD2 3.48Å; Y159-H440 WeakPolarHBondContact CB-NE2 3.32Å; Y159-H440 AromaticContact CD1-CD2 3.96Å; Y159-H440 AromaticContact CD2-NE2 3.75Å; Y159-H440 AromaticContact CG-CD2 3.55Å; Y159-H440 AromaticContact CG-NE2 3.65Å; R436-H440 WeakPolarHBondContact O-CB 3.41Å; R436-H440 PolarHBondContact O-CD2 3.29Å; R436-H440 PolarHBondContact O-N 3.06Å; R436-H440 PolarHBondContact O-ND1 3.4Å; R436-H440 PolarHBondContact O-NE2 2.98Å; Q437-H440 PolarHBondContact O-N 3.21Å; V438-H440 PolarHBondContact O-N 3.2Å
441	I	98.8	Very high	97.3	Very high	13 Å²	13	9.8 Å²	9.8	7%	0.067	5%	0.048	C	C	.	.	H	α-helix	trans	-60.8	-51.4	169.9	-75.9	164.7	0	0	0	110	V60 V66 Q437 V438 Q443 H444 Y460	V60-I441 HydrophobicContact CG1-CB 4.33Å; V60-I441 HydrophobicContact CG1-CG1 3.97Å; V60-I441 HydrophobicContact CG1-CG2 3.96Å; V66-I441 HydrophobicContact CG2-CG2 3.94Å; Q437-I441 VanDerWaalsContact O-CG1 3.31Å; Q437-I441 WeakPolarHBondContact O-CG1 3.4Å; Q437-I441 PolarHBondContact O-N 3.36Å; V438-I441 WeakPolarHBondContact O-CB 3.37Å; V438-I441 PolarHBondContact O-N 3.28Å; I441-Q443 PolarHBondContact O-N 2.92Å; I441-Q443 VanDerWaalsContact O-N 3.11Å; I441-H444 WeakPolarHBondContact O-CB 3.43Å; I441-H444 PolarHBondContact O-N 2.87Å; I441-Y460 HydrophobicContact CG2-CD1 4.12Å; I441-Y460 HydrophobicContact CG2-CE1 3.87Å
442	V	98.7	Very high	97.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-5	-171.9	-57.1	0	0	0	0	113.9	I399 V438 L439 A447 V448 Y460 L464	I399-V442 HydrophobicContact CD1-CB 3.99Å; I399-V442 HydrophobicContact CD1-CG2 3.95Å; I399-V442 HydrophobicContact CG1-CB 4.24Å; I399-V442 HydrophobicContact CG1-CG2 3.77Å; I399-V442 HydrophobicContact CG2-CG2 4.14Å; V438-V442 WeakPolarHBondContact O-CG2 3.42Å; V438-V442 PolarHBondContact O-N 3.33Å; L439-V442 HydrophobicContact CD2-CG2 4.44Å; L439-V442 VanDerWaalsContact O-CG2 3.31Å; L439-V442 WeakPolarHBondContact O-CG2 3.35Å; V442-A447 HydrophobicContact CB-CB 4.4Å; V442-A447 WeakPolarHBondContact O-CB 3.08Å; V442-V448 VanDerWaalsContact O-CB 3.27Å; V442-V448 WeakPolarHBondContact O-CB 3.09Å; V442-V448 PolarHBondContact O-N 2.74Å; V442-V448 VanDerWaalsContact O-N 3.13Å; V442-Y460 HydrophobicContact CG1-CD1 4.01Å; V442-Y460 HydrophobicContact CG1-CG 4.17Å; V442-L464 HydrophobicContact CG1-CD1 4.3Å; V442-L464 HydrophobicContact CG1-CG 4.25Å; V442-L464 HydrophobicContact CG2-CD2 4.26Å
443	Q	98.7	Very high	97.9	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.1	168.2	-61.8	-34.1	-74.8	0	0	112.8	A143 D144 V148 D152 Q156 L439 I441 V448	A143-Q443 VanDerWaalsContact CA-O 3.24Å; A143-Q443 WeakPolarHBondContact CA-O 3.4Å; A143-Q443 HydrophobicContact CB-CB 4.07Å; D144-Q443 PolarHBondContact N-O 2.87Å; D144-Q443 VanDerWaalsContact N-O 3.14Å; V148-Q443 HydrophobicContact CG1-CG 4.48Å; V148-Q443 HydrophobicContact CG2-CB 4.24Å; D152-Q443 HydrophobicContact CB-CG 4.12Å; Q156-Q443 HydrophobicContact CG-CB 4.49Å; Q156-Q443 HydrophobicContact CG-CG 4.44Å; L439-Q443 VanDerWaalsContact O-CG 3.31Å; L439-Q443 WeakPolarHBondContact O-CG 3.18Å; L439-Q443 PolarHBondContact O-N 3Å; L439-Q443 PolarHBondContact O-NE2 3.43Å; I441-Q443 PolarHBondContact O-N 2.92Å; I441-Q443 VanDerWaalsContact O-N 3.11Å; Q443-V448 WeakPolarHBondContact O-CG1 3.46Å
444	H	98.7	Very high	98	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-48.9	144.9	179	-174.4	-103.5	0	0	0	111.4	D59 V60 S141 M142 I441 D446 A447 V448	D59-H444 IonicContact OD1-CE1 3.18Å; D59-H444 PolarHBondContact OD1-CE1 2.74Å; D59-H444 VanDerWaalsContact OD1-CE1 3.23Å; D59-H444 IonicContact OD1-NE2 3.76Å; V60-H444 HydrophobicContact CB-CB 4.24Å; V60-H444 PolarHBondContact N-NE2 2.92Å; S141-H444 PolarHBondContact OG-N 3.07Å; M142-H444 WeakPolarHBondContact O-CA 3.35Å; I441-H444 WeakPolarHBondContact O-CB 3.43Å; I441-H444 PolarHBondContact O-N 2.87Å; H444-D446 IonicContact CE1-OD2 3.42Å; H444-D446 PolarHBondContact ND1-N 2.85Å; H444-D446 PolarHBondContact O-N 2.87Å; H444-A447 HydrophobicContact CB-CB 4.07Å; H444-A447 PolarHBondContact O-N 3.26Å; H444-V448 PolarHBondContact O-N 3.02Å
445	H	98.4	Very high	98	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.6	-169.9	71.2	-82	0	0	0	115.4	H57 D59 M142 D144 D181 P182 F183 T449	H57-H445 AromaticContact CE1-CE1 3.69Å; H57-H445 AromaticContact NE2-CE1 3.58Å; D59-H445 IonicContact OD1-CE1 3.21Å; D59-H445 PolarHBondContact OD1-CE1 3.05Å; D59-H445 IonicContact OD1-NE2 3.96Å; M142-H445 PolarHBondContact O-N 2.72Å; M142-H445 PolarHBondContact O-ND1 2.99Å; D144-H445 HydrophobicContact CB-CB 3.84Å; D181-H445 PolarHBondContact O-CD2 2.94Å; D181-H445 IonicContact OD2-NE2 3Å; P182-H445 HydrophobicContact CB-CB 4.44Å; P182-H445 HydrophobicContact CG-CB 4.4Å; F183-H445 AromaticContact CE1-CD2 3.81Å; F183-H445 VanDerWaalsContact CE2-O 3.27Å; F183-H445 WeakPolarHBondContact CE2-O 3.27Å; F183-H445 AromaticContact CZ-CD2 3.59Å; H445-T449 WeakPolarHBondContact O-CB 3.21Å; H445-T449 WeakPolarHBondContact O-CG2 3.14Å; H445-T449 PolarHBondContact O-OG1 2.92Å
446	D	98.5	Very high	98	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-13.5	167.3	-74.9	-50.9	0	0	0	115.8	W62 H444 T449 T451 S452	W62-D446 HydrophobicContact CB-CB 4.29Å; W62-D446 VanDerWaalsContact CD1-CG 3.5Å; W62-D446 HydrophobicContact CG-CB 4.5Å; H444-D446 IonicContact CE1-OD2 3.42Å; H444-D446 PolarHBondContact ND1-N 2.85Å; H444-D446 PolarHBondContact O-N 2.87Å; D446-T449 WeakPolarHBondContact CA-OG1 3.46Å; D446-T451 WeakPolarHBondContact CA-OG1 3.41Å; D446-T451 PolarHBondContact O-N 3.43Å; D446-T451 PolarHBondContact OD1-OG1 3.27Å; D446-S452 PolarHBondContact O-N 3.11Å; D446-S452 PolarHBondContact O-OG 3.12Å
447	A	98.7	Very high	98	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-67.6	-177	0	0	0	0	0	111.1	L395 V442 H444 T449 G450 Y460	L395-A447 WeakPolarHBondContact CD2-O 3.47Å; V442-A447 HydrophobicContact CB-CB 4.4Å; V442-A447 WeakPolarHBondContact O-CB 3.08Å; H444-A447 HydrophobicContact CB-CB 4.07Å; H444-A447 PolarHBondContact O-N 3.26Å; A447-T449 VanDerWaalsContact C-N 3.28Å; A447-T449 PolarHBondContact O-N 3.45Å; A447-G450 PolarHBondContact O-N 3.26Å; A447-Y460 HydrophobicContact CB-CD2 3.95Å; A447-Y460 HydrophobicContact CB-CE1 4.07Å; A447-Y460 HydrophobicContact CB-CE2 3.45Å; A447-Y460 VanDerWaalsContact CB-CE2 3.45Å; A447-Y460 HydrophobicContact CB-CG 4.46Å
448	V	98.6	Very high	98	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.012	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.2	-176.2	61	0	0	0	0	113.1	D144 T147 V148 K396 I399 V442 Q443 H444 G450	D144-V448 HydrophobicContact CB-CG1 3.88Å; T147-V448 WeakPolarHBondContact OG1-CG1 3.44Å; V148-V448 HydrophobicContact CG2-CG1 3.65Å; K396-V448 WeakPolarHBondContact CE-O 3.24Å; K396-V448 WeakPolarHBondContact CG-O 3.32Å; I399-V448 HydrophobicContact CD1-CB 4.06Å; I399-V448 HydrophobicContact CD1-CG2 4.02Å; V442-V448 VanDerWaalsContact O-CB 3.27Å; V442-V448 WeakPolarHBondContact O-CB 3.09Å; V442-V448 PolarHBondContact O-N 2.74Å; V442-V448 VanDerWaalsContact O-N 3.13Å; Q443-V448 WeakPolarHBondContact O-CG1 3.46Å; H444-V448 PolarHBondContact O-N 3.02Å; V448-G450 VanDerWaalsContact C-N 3.26Å; V448-G450 PolarHBondContact O-N 2.78Å
449	T	98.3	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-24	175.7	55.7	0	0	0	0	112.1	D144 F183 Y388 S391 K396 H445 D446 A447 T451	D144-T449 HydrophobicContact CB-CG2 3.69Å; D144-T449 WeakPolarHBondContact OD2-CG2 3.44Å; F183-T449 HydrophobicContact CD2-CG2 4.28Å; F183-T449 HydrophobicContact CE2-CG2 4.03Å; Y388-T449 HydrophobicContact CD2-CG2 3.45Å; Y388-T449 VanDerWaalsContact CD2-CG2 3.45Å; Y388-T449 HydrophobicContact CE2-CG2 3.65Å; S391-T449 WeakPolarHBondContact CB-O 3.37Å; K396-T449 PolarHBondContact NZ-O 2.64Å; H445-T449 WeakPolarHBondContact O-CB 3.21Å; H445-T449 WeakPolarHBondContact O-CG2 3.14Å; H445-T449 PolarHBondContact O-OG1 2.92Å; D446-T449 WeakPolarHBondContact CA-OG1 3.46Å; A447-T449 VanDerWaalsContact C-N 3.28Å; A447-T449 PolarHBondContact O-N 3.45Å; T449-T451 PolarHBondContact OG1-N 3.5Å; T449-T451 PolarHBondContact OG1-OG1 3.23Å
450	G	97.2	Very high	98	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	25.7	-175.3	0	0	0	0	0	114.1	R392 A447 V448	R392-G450 VanDerWaalsContact CD-O 3.32Å; R392-G450 WeakPolarHBondContact CD-O 3.09Å; R392-G450 PolarHBondContact NE-O 3.1Å; A447-G450 PolarHBondContact O-N 3.26Å; V448-G450 VanDerWaalsContact C-N 3.26Å; V448-G450 PolarHBondContact O-N 2.78Å
451	T	97.7	Very high	98	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.			trans	-101.1	31.2	-177.5	57.8	0	0	0	0	113.3	F183 D446 T449 Y777 V958	F183-T451 HydrophobicContact CE2-CG2 4.14Å; F183-T451 WeakPolarHBondContact CE2-OG1 3.29Å; D446-T451 WeakPolarHBondContact CA-OG1 3.41Å; D446-T451 PolarHBondContact O-N 3.43Å; D446-T451 PolarHBondContact OD1-OG1 3.27Å; T449-T451 PolarHBondContact OG1-N 3.5Å; T449-T451 PolarHBondContact OG1-OG1 3.23Å; T451-Y777 HydrophobicContact CG2-CD1 3.39Å; T451-Y777 HydrophobicContact CG2-CE1 3.37Å; T451-Y777 HydrophobicContact CG2-CG 4.07Å; T451-Y777 PolarHBondContact O-OH 3.42Å; T451-Y777 WeakPolarHBondContact OG1-CE1 3.13Å; T451-V958 WeakPolarHBondContact O-CG2 3.44Å
452	S	97.7	Very high	98	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-106.9	166.9	172.3	53.2	0	0	0	0	111.1	W62 R392 D446 T457	W62-S452 WeakPolarHBondContact O-CA 3.4Å; W62-S452 WeakPolarHBondContact O-CB 3.35Å; R392-S452 PolarHBondContact NH2-O 2.86Å; D446-S452 PolarHBondContact O-N 3.11Å; D446-S452 PolarHBondContact O-OG 3.12Å; S452-T457 PolarHBondContact OG-OG1 2.66Å; S452-T457 VanDerWaalsContact OG-OG1 3.14Å
453	K	97.1	Very high	97.9	Very high	40 Å²	40	21 Å²	21	17%	0.174	11%	0.109	C	C	.	.			trans	-63.3	152.6	172.8	-76.2	-169	170.1	176.2	0	112.2	W62 L63 H455 V456 T457 V958 E960	W62-K453 PolarHBondContact O-N 2.73Å; L63-K453 HydrophobicContact CB-CD 4.44Å; L63-K453 HydrophobicContact CD2-CD 4.35Å; L63-K453 HydrophobicContact CD2-CG 4.22Å; K453-H455 VanDerWaalsContact C-N 3.29Å; K453-H455 PolarHBondContact O-N 2.95Å; K453-V456 HydrophobicContact CB-CG2 4.23Å; K453-V456 WeakPolarHBondContact O-CA 3.36Å; K453-V456 WeakPolarHBondContact O-CB 3.24Å; K453-V456 PolarHBondContact O-N 3.26Å; K453-T457 PolarHBondContact O-N 3.17Å; K453-V958 WeakPolarHBondContact CE-O 3.48Å; K453-V958 HydrophobicContact CG-CG1 4.13Å; K453-E960 VanDerWaalsContact CA-CD 3.49Å; K453-E960 VanDerWaalsContact CA-OE1 3.26Å; K453-E960 WeakPolarHBondContact CA-OE1 3.28Å; K453-E960 WeakPolarHBondContact CA-OE2 3.32Å; K453-E960 WeakPolarHBondContact CB-OE2 3.48Å; K453-E960 HydrophobicContact CG-CG 4.41Å; K453-E960 WeakPolarHBondContact CG-OE2 3.21Å
454	Q	95.9	Very high	97.9	Very high	38 Å²	38	21 Å²	21	18%	0.178	11%	0.108	C	C	.	.	H	α-helix	trans	-55.7	-41.8	-176.2	-177.7	61.1	51.2	0	0	113	V456 T457 N458 E960	Q454-V456 VanDerWaalsContact C-N 3.28Å; Q454-V456 PolarHBondContact O-N 2.85Å; Q454-T457 WeakPolarHBondContact O-CB 3.06Å; Q454-T457 PolarHBondContact O-N 3.34Å; Q454-N458 PolarHBondContact NE2-OD1 2.98Å; Q454-N458 PolarHBondContact O-N 3.09Å; Q454-N458 PolarHBondContact O-OD1 2.91Å; Q454-E960 PolarHBondContact N-OE1 2.76Å; Q454-E960 PolarHBondContact N-OE2 3.34Å; Q454-E960 VanDerWaalsContact N-OE2 3.12Å
455	H	96.2	Very high	97.9	Very high	67 Å²	67	26.6 Å²	26.6	31%	0.31	13%	0.13	S	C	.	.	H	α-helix	trans	-68.1	-27.8	179.1	76.4	-81.6	0	0	0	113	L63 K453 D459	L63-H455 PolarHBondContact O-CE1 3.28Å; L63-H455 PolarHBondContact O-NE2 3.3Å; K453-H455 VanDerWaalsContact C-N 3.29Å; K453-H455 PolarHBondContact O-N 2.95Å; H455-D459 PolarHBondContact O-N 3.09Å; H455-D459 VanDerWaalsContact O-N 3.09Å
456	V	98.2	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-75	-41.6	174	-176.8	0	0	0	0	110.2	W62 K64 T65 K453 Q454 N458 D459 Y460	W62-V456 WeakPolarHBondContact O-CG2 3.31Å; K64-V456 VanDerWaalsContact C-CG2 3.4Å; K64-V456 WeakPolarHBondContact O-CG2 3.39Å; T65-V456 HydrophobicContact CG2-CG2 4.45Å; K453-V456 HydrophobicContact CB-CG2 4.23Å; K453-V456 WeakPolarHBondContact O-CA 3.36Å; K453-V456 WeakPolarHBondContact O-CB 3.24Å; K453-V456 PolarHBondContact O-N 3.26Å; Q454-V456 VanDerWaalsContact C-N 3.28Å; Q454-V456 PolarHBondContact O-N 2.85Å; V456-N458 VanDerWaalsContact C-N 3.25Å; V456-N458 PolarHBondContact O-N 3Å; V456-D459 WeakPolarHBondContact O-CA 3.41Å; V456-D459 WeakPolarHBondContact O-CB 3.44Å; V456-D459 PolarHBondContact O-N 2.76Å; V456-Y460 HydrophobicContact CG1-CD2 4.35Å; V456-Y460 HydrophobicContact CG1-CE1 4.39Å; V456-Y460 HydrophobicContact CG1-CE2 3.66Å; V456-Y460 WeakPolarHBondContact O-CD2 3.17Å; V456-Y460 PolarHBondContact O-N 3.4Å
457	T	97.7	Very high	97.9	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.043	15%	0.147	C	C	.	.	H	α-helix	trans	-56.6	-41	169.7	-72.7	0	0	0	0	112	R392 L395 S452 K453 Q454 D459 Y460 A461	R392-T457 VanDerWaalsContact CD-OG1 3.31Å; R392-T457 WeakPolarHBondContact CD-OG1 3.3Å; R392-T457 PolarHBondContact NE-OG1 3.11Å; R392-T457 PolarHBondContact NH1-OG1 2.59Å; L395-T457 HydrophobicContact CD2-CG2 4.25Å; S452-T457 PolarHBondContact OG-OG1 2.66Å; S452-T457 VanDerWaalsContact OG-OG1 3.14Å; K453-T457 PolarHBondContact O-N 3.17Å; Q454-T457 WeakPolarHBondContact O-CB 3.06Å; Q454-T457 PolarHBondContact O-N 3.34Å; T457-D459 VanDerWaalsContact C-N 3.33Å; T457-D459 PolarHBondContact O-N 2.87Å; T457-Y460 PolarHBondContact O-N 3.06Å; T457-A461 PolarHBondContact O-N 3.04Å
458	N	97.1	Very high	97.9	Very high	90 Å²	90	30 Å²	30	48%	0.481	15%	0.149	S	C	.	.	H	α-helix	trans	-64	-38.2	175.2	-66	-10.2	0	0	0	111.8	Q454 V456 A461 L462	Q454-N458 PolarHBondContact NE2-OD1 2.98Å; Q454-N458 PolarHBondContact O-N 3.09Å; Q454-N458 PolarHBondContact O-OD1 2.91Å; V456-N458 VanDerWaalsContact C-N 3.25Å; V456-N458 PolarHBondContact O-N 3Å; N458-A461 PolarHBondContact O-N 3.4Å; N458-L462 WeakPolarHBondContact O-CB 3.37Å; N458-L462 PolarHBondContact O-N 3.21Å
459	D	98.5	Very high	97.8	Very high	25 Å²	25	33 Å²	33	13%	0.134	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-44.8	173.4	-178.3	73.2	0	0	0	111.5	T65 H455 V456 T457 A461 L462 R463	T65-D459 HydrophobicContact CG2-CB 3.67Å; H455-D459 PolarHBondContact O-N 3.09Å; H455-D459 VanDerWaalsContact O-N 3.09Å; V456-D459 WeakPolarHBondContact O-CA 3.41Å; V456-D459 WeakPolarHBondContact O-CB 3.44Å; V456-D459 PolarHBondContact O-N 2.76Å; T457-D459 VanDerWaalsContact C-N 3.33Å; T457-D459 PolarHBondContact O-N 2.87Å; D459-A461 PolarHBondContact O-N 3.4Å; D459-L462 PolarHBondContact O-N 3.12Å; D459-R463 WeakPolarHBondContact O-CG 3.22Å; D459-R463 PolarHBondContact O-N 3.46Å; D459-R463 IonicContact OD1-CZ 3.7Å; D459-R463 IonicContact OD1-NE 3.08Å; D459-R463 IonicContact OD1-NH2 2.72Å; D459-R463 PolarHBondContact OD1-NH2 3.2Å; D459-R463 IonicContact OD2-CZ 2.79Å; D459-R463 IonicContact OD2-NE 3.57Å; D459-R463 PolarHBondContact OD2-NE 2.82Å; D459-R463 IonicContact OD2-NH2 3.53Å; D459-R463 PolarHBondContact OD2-NH2 3.05Å; D459-R463 VanDerWaalsContact OD2-NH2 3.1Å
460	Y	98.7	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-44.9	174.2	-63.3	-41.6	0	0	0	112.7	V60 G61 V66 I441 V442 A447 V456 T457 L462 R463 L464	V60-Y460 PolarHBondContact O-OH 3.02Å; G61-Y460 WeakPolarHBondContact CA-OH 3.47Å; G61-Y460 PolarHBondContact O-OH 2.96Å; V66-Y460 HydrophobicContact CG2-CE1 4.11Å; I441-Y460 HydrophobicContact CG2-CD1 4.12Å; I441-Y460 HydrophobicContact CG2-CE1 3.87Å; V442-Y460 HydrophobicContact CG1-CD1 4.01Å; V442-Y460 HydrophobicContact CG1-CG 4.17Å; A447-Y460 HydrophobicContact CB-CD2 3.95Å; A447-Y460 HydrophobicContact CB-CE1 4.07Å; A447-Y460 HydrophobicContact CB-CE2 3.45Å; A447-Y460 VanDerWaalsContact CB-CE2 3.45Å; A447-Y460 HydrophobicContact CB-CG 4.46Å; V456-Y460 HydrophobicContact CG1-CD2 4.35Å; V456-Y460 HydrophobicContact CG1-CE1 4.39Å; V456-Y460 HydrophobicContact CG1-CE2 3.66Å; V456-Y460 WeakPolarHBondContact O-CD2 3.17Å; V456-Y460 PolarHBondContact O-N 3.4Å; T457-Y460 PolarHBondContact O-N 3.06Å; Y460-L462 VanDerWaalsContact C-N 3.33Å; Y460-L462 PolarHBondContact O-N 3.49Å; Y460-R463 PolarHBondContact O-N 2.62Å; Y460-L464 WeakPolarHBondContact O-CB 3.47Å; Y460-L464 WeakPolarHBondContact O-CG 3.43Å; Y460-L464 PolarHBondContact O-N 2.92Å
461	A	97.8	Very high	97.5	Very high	35 Å²	35	34 Å²	34	29%	0.289	17%	0.169	S	C	.	.	H	α-helix	trans	-63	-40	177.5	0	0	0	0	0	111.9	T457 N458 D459 L464 Y465	T457-A461 PolarHBondContact O-N 3.04Å; N458-A461 PolarHBondContact O-N 3.4Å; D459-A461 PolarHBondContact O-N 3.4Å; A461-L464 PolarHBondContact O-N 2.77Å; A461-Y465 PolarHBondContact O-N 2.83Å
462	L	98.4	Very high	97.4	Very high	96 Å²	96	34.7 Å²	34.7	50%	0.503	17%	0.172	S	C	.	.	H	α-helix	trans	-65.1	-43.7	175.6	178.8	60.7	0	0	0	111.9	N458 D459 Y460 Y465 N466	N458-L462 WeakPolarHBondContact O-CB 3.37Å; N458-L462 PolarHBondContact O-N 3.21Å; D459-L462 PolarHBondContact O-N 3.12Å; Y460-L462 VanDerWaalsContact C-N 3.33Å; Y460-L462 PolarHBondContact O-N 3.49Å; L462-Y465 WeakPolarHBondContact O-CB 3.36Å; L462-Y465 PolarHBondContact O-N 3.03Å; L462-N466 PolarHBondContact O-N 3.34Å; L462-N466 PolarHBondContact O-ND2 3.13Å
463	R	98.5	Very high	97.2	Very high	39 Å²	39	39.5 Å²	39.5	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-47	174.2	-72.1	178.2	-167.8	-81.1	-17.2	111.2	D67 V438 D459 Y460 Y465 N466 G467	D67-R463 IonicContact OD1-NH2 3.8Å; D67-R463 IonicContact OD2-CZ 3.14Å; D67-R463 IonicContact OD2-NH1 2.73Å; D67-R463 IonicContact OD2-NH2 3.26Å; D67-R463 PolarHBondContact OD2-NH2 3.43Å; V438-R463 HydrophobicContact CB-CB 4.49Å; V438-R463 VanDerWaalsContact CG1-C 3.47Å; V438-R463 HydrophobicContact CG1-CB 3.74Å; V438-R463 HydrophobicContact CG2-CB 3.95Å; D459-R463 WeakPolarHBondContact O-CG 3.22Å; D459-R463 PolarHBondContact O-N 3.46Å; D459-R463 IonicContact OD1-CZ 3.7Å; D459-R463 IonicContact OD1-NE 3.08Å; D459-R463 IonicContact OD1-NH2 2.72Å; D459-R463 PolarHBondContact OD1-NH2 3.2Å; D459-R463 IonicContact OD2-CZ 2.79Å; D459-R463 IonicContact OD2-NE 3.57Å; D459-R463 PolarHBondContact OD2-NE 2.82Å; D459-R463 IonicContact OD2-NH2 3.53Å; D459-R463 PolarHBondContact OD2-NH2 3.05Å; D459-R463 VanDerWaalsContact OD2-NH2 3.1Å; Y460-R463 PolarHBondContact O-N 2.62Å; R463-Y465 VanDerWaalsContact C-N 3.28Å; R463-Y465 PolarHBondContact O-N 3.49Å; R463-N466 PolarHBondContact O-N 2.04Å; R463-G467 PolarHBondContact O-N 3.11Å
464	L	98.6	Very high	96.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-41.7	176.4	-77.5	167	0	0	0	111.3	L395 Y398 I399 A402 V438 L439 V442 Y460 A461 T468	L395-L464 HydrophobicContact CD1-CD1 4.02Å; Y398-L464 HydrophobicContact CD1-CB 3.93Å; Y398-L464 HydrophobicContact CD1-CD1 3.7Å; Y398-L464 HydrophobicContact CD1-CG 4.46Å; Y398-L464 HydrophobicContact CE1-CB 3.41Å; Y398-L464 VanDerWaalsContact CE1-CB 3.41Å; Y398-L464 HydrophobicContact CE1-CD1 4.1Å; Y398-L464 HydrophobicContact CE1-CG 4.39Å; Y398-L464 HydrophobicContact CE2-CB 4.38Å; Y398-L464 HydrophobicContact CG-CD1 4.14Å; I399-L464 HydrophobicContact CG1-CD1 3.94Å; A402-L464 HydrophobicContact CB-CD2 3.76Å; V438-L464 HydrophobicContact CG1-CB 4.41Å; V438-L464 HydrophobicContact CG1-CD2 3.83Å; V438-L464 HydrophobicContact CG1-CG 3.95Å; L439-L464 HydrophobicContact CD2-CD2 4.16Å; V442-L464 HydrophobicContact CG1-CD1 4.3Å; V442-L464 HydrophobicContact CG1-CG 4.25Å; V442-L464 HydrophobicContact CG2-CD2 4.26Å; Y460-L464 WeakPolarHBondContact O-CB 3.47Å; Y460-L464 WeakPolarHBondContact O-CG 3.43Å; Y460-L464 PolarHBondContact O-N 2.92Å; A461-L464 PolarHBondContact O-N 2.77Å; L464-T468 VanDerWaalsContact O-CB 3.31Å; L464-T468 WeakPolarHBondContact O-CB 3.49Å; L464-T468 WeakPolarHBondContact O-CG2 3.36Å; L464-T468 PolarHBondContact O-N 3.14Å; L464-T468 PolarHBondContact O-OG1 2.68Å
465	Y	98.3	Very high	96.7	Very high	118 Å²	118	36 Å²	36	46%	0.463	18%	0.179	S	C	.	.	H	α-helix	trans	-60	-50.3	175.1	175.3	-97.9	0	0	0	112.2	Y398 A461 L462 R463 G467 T468 K469	Y398-Y465 WeakPolarHBondContact OH-CA 3.38Å; Y398-Y465 PolarHBondContact OH-N 3.46Å; A461-Y465 PolarHBondContact O-N 2.83Å; L462-Y465 WeakPolarHBondContact O-CB 3.36Å; L462-Y465 PolarHBondContact O-N 3.03Å; R463-Y465 VanDerWaalsContact C-N 3.28Å; R463-Y465 PolarHBondContact O-N 3.49Å; Y465-G467 PolarHBondContact O-N 2.76Å; Y465-T468 PolarHBondContact O-N 2.93Å; Y465-T468 PolarHBondContact O-OG1 2.95Å; Y465-K469 HydrophobicContact CD2-CG 4.32Å; Y465-K469 HydrophobicContact CE1-CG 4.21Å; Y465-K469 HydrophobicContact CE2-CD 4.32Å; Y465-K469 HydrophobicContact CE2-CG 3.99Å; Y465-K469 WeakPolarHBondContact O-CB 3.47Å; Y465-K469 VanDerWaalsContact O-CG 3.23Å; Y465-K469 WeakPolarHBondContact O-CG 3.26Å; Y465-K469 PolarHBondContact O-N 3.36Å
466	N	98.3	Very high	96.3	Very high	67 Å²	67	33.7 Å²	33.7	36%	0.358	17%	0.169	S	C	.	.	H	α-helix	trans	-64.3	-42.5	-179.8	-66.7	-24.9	0	0	0	112.4	L462 R463 S470	L462-N466 PolarHBondContact O-N 3.34Å; L462-N466 PolarHBondContact O-ND2 3.13Å; R463-N466 PolarHBondContact O-N 2.04Å; N466-S470 PolarHBondContact O-N 2.9Å; N466-S470 VanDerWaalsContact O-N 3.11Å; N466-S470 PolarHBondContact O-OG 3.08Å
467	G	98.2	Very high	95.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-47.1	177	0	0	0	0	0	112.4	R463 Y465 K469 S470 C471	R463-G467 PolarHBondContact O-N 3.11Å; Y465-G467 PolarHBondContact O-N 2.76Å; G467-K469 PolarHBondContact O-N 3.09Å; G467-S470 WeakPolarHBondContact O-CB 3.36Å; G467-S470 PolarHBondContact O-N 3.27Å; G467-C471 PolarHBondContact O-N 2.91Å; G467-C471 VanDerWaalsContact O-N 3.16Å
468	T	98	Very high	95.1	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-39.9	179.5	53.9	0	0	0	0	111.5	Y398 A402 L405 L435 L464 Y465 S470 C471 Q472	Y398-T468 HydrophobicContact CE2-CG2 4.45Å; A402-T468 HydrophobicContact CB-CG2 3.68Å; L405-T468 HydrophobicContact CD2-CG2 3.84Å; L435-T468 HydrophobicContact CD1-CG2 3.86Å; L435-T468 HydrophobicContact CD2-CG2 4.47Å; L464-T468 VanDerWaalsContact O-CB 3.31Å; L464-T468 WeakPolarHBondContact O-CB 3.49Å; L464-T468 WeakPolarHBondContact O-CG2 3.36Å; L464-T468 PolarHBondContact O-N 3.14Å; L464-T468 PolarHBondContact O-OG1 2.68Å; Y465-T468 PolarHBondContact O-N 2.93Å; Y465-T468 PolarHBondContact O-OG1 2.95Å; T468-S470 VanDerWaalsContact C-N 3.33Å; T468-S470 PolarHBondContact O-N 2.84Å; T468-C471 PolarHBondContact O-N 2.88Å; T468-Q472 VanDerWaalsContact O-CG 3.3Å; T468-Q472 WeakPolarHBondContact O-CG 3.27Å; T468-Q472 PolarHBondContact O-N 3.03Å
469	K	96.8	Very high	94.5	Very high	65 Å²	65	31.9 Å²	31.9	28%	0.283	16%	0.159	S	C	.	.	H	α-helix	trans	-61.7	-38.5	174.3	-71.7	-70.9	160.9	-157.6	0	113.1	Y465 G467 Q472 H473 D500	Y465-K469 HydrophobicContact CD2-CG 4.32Å; Y465-K469 HydrophobicContact CE1-CG 4.21Å; Y465-K469 HydrophobicContact CE2-CD 4.32Å; Y465-K469 HydrophobicContact CE2-CG 3.99Å; Y465-K469 WeakPolarHBondContact O-CB 3.47Å; Y465-K469 VanDerWaalsContact O-CG 3.23Å; Y465-K469 WeakPolarHBondContact O-CG 3.26Å; Y465-K469 PolarHBondContact O-N 3.36Å; G467-K469 PolarHBondContact O-N 3.09Å; K469-Q472 PolarHBondContact O-N 3.28Å; K469-H473 PolarHBondContact O-N 3.29Å; K469-D500 VanDerWaalsContact CE-OD2 3.3Å; K469-D500 WeakPolarHBondContact CE-OD2 3.48Å; K469-D500 IonicContact NZ-OD2 2.97Å; K469-D500 PolarHBondContact NZ-OD2 3.45Å
470	S	95.4	Very high	93.5	Very high	20 Å²	20	32.4 Å²	32.4	14%	0.14	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-45.6	175.7	-55.3	0	0	0	0	111.1	H434 N466 G467 T468 H473 L474	H434-S470 PolarHBondContact ND1-OG 2.85Å; N466-S470 PolarHBondContact O-N 2.9Å; N466-S470 VanDerWaalsContact O-N 3.11Å; N466-S470 PolarHBondContact O-OG 3.08Å; G467-S470 WeakPolarHBondContact O-CB 3.36Å; G467-S470 PolarHBondContact O-N 3.27Å; T468-S470 VanDerWaalsContact C-N 3.33Å; T468-S470 PolarHBondContact O-N 2.84Å; S470-H473 PolarHBondContact O-N 3.21Å; S470-L474 PolarHBondContact O-N 3.25Å; S470-L474 VanDerWaalsContact O-N 3.13Å
471	C	95.3	Very high	92.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.8	-42.9	174.6	-80.5	0	0	0	0	113.2	C409 L435 G467 T468 H473 L474 I475	C409-C471 HydrophobicContact CB-CB 3.91Å; C409-C471 VanDerWaalsContact SG-CB 3.53Å; C409-C471 PolarHBondContact SG-SG 3.3Å; L435-C471 WeakPolarHBondContact CB-SG 3.43Å; L435-C471 HydrophobicContact CD2-CB 3.85Å; L435-C471 WeakPolarHBondContact CD2-SG 3.3Å; G467-C471 PolarHBondContact O-N 2.91Å; G467-C471 VanDerWaalsContact O-N 3.16Å; T468-C471 PolarHBondContact O-N 2.88Å; C471-H473 VanDerWaalsContact C-N 3.29Å; C471-H473 PolarHBondContact O-N 2.97Å; C471-L474 PolarHBondContact O-N 2.84Å; C471-L474 VanDerWaalsContact O-N 3.13Å; C471-I475 WeakPolarHBondContact O-CB 3.47Å; C471-I475 WeakPolarHBondContact O-CD1 3.28Å; C471-I475 VanDerWaalsContact O-CG1 3.24Å; C471-I475 WeakPolarHBondContact O-CG1 3.36Å; C471-I475 PolarHBondContact O-N 3.38Å
472	Q	95.1	Very high	91.7	Very high	16 Å²	16	33 Å²	33	8%	0.075	16%	0.157	C	C	.	.	H	α-helix	trans	-58.1	-42.7	176.8	-72.7	176	5.3	0	0	111.8	L405 T468 K469 I475 N476 F498 D500	L405-Q472 HydrophobicContact CD1-CG 4.47Å; L405-Q472 HydrophobicContact CD2-CG 4.09Å; T468-Q472 VanDerWaalsContact O-CG 3.3Å; T468-Q472 WeakPolarHBondContact O-CG 3.27Å; T468-Q472 PolarHBondContact O-N 3.03Å; K469-Q472 PolarHBondContact O-N 3.28Å; Q472-I475 PolarHBondContact O-N 3.12Å; Q472-N476 PolarHBondContact O-N 3.24Å; Q472-F498 HydrophobicContact CB-CD2 3.64Å; Q472-F498 HydrophobicContact CB-CE2 3.63Å; Q472-F498 HydrophobicContact CB-CG 4.34Å; Q472-F498 HydrophobicContact CB-CZ 4.33Å; Q472-F498 HydrophobicContact CG-CB 4.34Å; Q472-F498 HydrophobicContact CG-CD1 4.04Å; Q472-F498 HydrophobicContact CG-CD2 3.49Å; Q472-F498 VanDerWaalsContact CG-CD2 3.49Å; Q472-F498 HydrophobicContact CG-CE1 4.22Å; Q472-F498 HydrophobicContact CG-CE2 3.69Å; Q472-F498 HydrophobicContact CG-CG 3.67Å; Q472-F498 HydrophobicContact CG-CZ 4.05Å; Q472-D500 PolarHBondContact NE2-OD1 2.67Å
473	H	92	Very high	90.7	Very high	100 Å²	100	28.4 Å²	28.4	46%	0.463	13%	0.133	S	C	.	.	H	α-helix	trans	-60.8	-44.8	174.9	-179.9	68.2	0	0	0	111.8	K469 S470 C471 N476 N477	K469-H473 PolarHBondContact O-N 3.29Å; S470-H473 PolarHBondContact O-N 3.21Å; C471-H473 VanDerWaalsContact C-N 3.29Å; C471-H473 PolarHBondContact O-N 2.97Å; H473-N476 PolarHBondContact O-N 2.99Å; H473-N477 PolarHBondContact NE2-ND2 3.29Å; H473-N477 PolarHBondContact O-N 3.39Å; H473-N477 VanDerWaalsContact O-N 3.12Å; H473-N477 PolarHBondContact O-ND2 2.95Å
474	L	90.7	Very high	89.5	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-41	176.9	-178	60.4	0	0	0	112.6	H413 N428 N431 I432 S470 C471 N477 S478	H413-L474 HydrophobicContact CB-CD2 4.16Å; N428-L474 HydrophobicContact CB-CD1 3.83Å; N431-L474 HydrophobicContact CB-CB 4.19Å; N431-L474 HydrophobicContact CB-CD2 4.31Å; I432-L474 HydrophobicContact CD1-CD2 3.57Å; I432-L474 HydrophobicContact CG1-CD2 3.24Å; S470-L474 PolarHBondContact O-N 3.25Å; S470-L474 VanDerWaalsContact O-N 3.13Å; C471-L474 PolarHBondContact O-N 2.84Å; C471-L474 VanDerWaalsContact O-N 3.13Å; L474-N477 PolarHBondContact O-N 3.31Å; L474-S478 VanDerWaalsContact O-CB 3.28Å; L474-S478 WeakPolarHBondContact O-CB 3.42Å; L474-S478 PolarHBondContact O-N 3.09Å; L474-S478 PolarHBondContact O-OG 2.9Å
475	I	92.3	Very high	88	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-47.7	176.8	-70.9	155.7	0	0	0	109.8	L405 M408 C409 I412 C471 Q472 N477 S478 Y479 F498 M1006	L405-I475 HydrophobicContact CD1-CD1 3.72Å; M408-I475 HydrophobicContact CE-CD1 3.41Å; M408-I475 VanDerWaalsContact CE-CD1 3.41Å; M408-I475 HydrophobicContact CE-CG1 4.33Å; M408-I475 HydrophobicContact CE-CG2 4.19Å; M408-I475 HydrophobicContact CG-CD1 4.49Å; C409-I475 HydrophobicContact CB-CD1 3.79Å; C409-I475 HydrophobicContact CB-CG1 4Å; I412-I475 HydrophobicContact CD1-CG2 3.95Å; C471-I475 WeakPolarHBondContact O-CB 3.47Å; C471-I475 WeakPolarHBondContact O-CD1 3.28Å; C471-I475 VanDerWaalsContact O-CG1 3.24Å; C471-I475 WeakPolarHBondContact O-CG1 3.36Å; C471-I475 PolarHBondContact O-N 3.38Å; Q472-I475 PolarHBondContact O-N 3.12Å; I475-N477 VanDerWaalsContact C-N 3.34Å; I475-N477 PolarHBondContact O-N 3.46Å; I475-S478 PolarHBondContact O-N 3.36Å; I475-S478 VanDerWaalsContact O-N 3.14Å; I475-Y479 HydrophobicContact CG2-CD2 3.43Å; I475-Y479 VanDerWaalsContact CG2-CD2 3.43Å; I475-Y479 HydrophobicContact CG2-CE2 3.46Å; I475-Y479 VanDerWaalsContact CG2-CE2 3.46Å; I475-Y479 WeakPolarHBondContact O-CD2 3.49Å; I475-Y479 PolarHBondContact O-N 2.89Å; I475-F498 HydrophobicContact CB-CZ 4.16Å; I475-F498 HydrophobicContact CD1-CZ 4.18Å; I475-F498 HydrophobicContact CG2-CE2 4.48Å; I475-F498 HydrophobicContact CG2-CZ 3.79Å; I475-M1006 HydrophobicContact CG2-SD 4.14Å
476	N	89.1	Confident	86.3	Confident	19 Å²	19	30.6 Å²	30.6	10%	0.102	16%	0.158	C	C	.	.	H	α-helix	trans	-54.1	-49.8	176.1	-176.9	51.2	0	0	0	111.6	Q472 H473 S478 Y479 M480 V496	Q472-N476 PolarHBondContact O-N 3.24Å; H473-N476 PolarHBondContact O-N 2.99Å; N476-S478 VanDerWaalsContact C-N 3.32Å; N476-S478 PolarHBondContact O-N 3.03Å; N476-Y479 PolarHBondContact O-N 3.41Å; N476-M480 WeakPolarHBondContact O-CG 3.43Å; N476-M480 PolarHBondContact O-N 3.12Å; N476-V496 HydrophobicContact CB-CB 4.29Å; N476-V496 VanDerWaalsContact OD1-CB 3.24Å; N476-V496 WeakPolarHBondContact OD1-CB 3.4Å; N476-V496 VanDerWaalsContact OD1-CG2 3.29Å; N476-V496 WeakPolarHBondContact OD1-CG2 3.25Å; N476-V496 PolarHBondContact OD1-N 3.12Å
477	N	84.3	Confident	84.7	Confident	53 Å²	53	29.5 Å²	29.5	28%	0.283	15%	0.151	S	C	.	.	H	α-helix	trans	-64.1	-36.7	178.6	-65.2	-20.2	0	0	0	112.8	H473 L474 I475	H473-N477 PolarHBondContact NE2-ND2 3.29Å; H473-N477 PolarHBondContact O-N 3.39Å; H473-N477 VanDerWaalsContact O-N 3.12Å; H473-N477 PolarHBondContact O-ND2 2.95Å; L474-N477 PolarHBondContact O-N 3.31Å; I475-N477 VanDerWaalsContact C-N 3.34Å; I475-N477 PolarHBondContact O-N 3.46Å
478	S	86.2	Confident	83	Confident	6 Å²	6	29.8 Å²	29.8	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-73.5	-37.5	-178.8	-59.3	0	0	0	0	111.8	L474 I475 N476 M480 K481 L482	L474-S478 VanDerWaalsContact O-CB 3.28Å; L474-S478 WeakPolarHBondContact O-CB 3.42Å; L474-S478 PolarHBondContact O-N 3.09Å; L474-S478 PolarHBondContact O-OG 2.9Å; I475-S478 PolarHBondContact O-N 3.36Å; I475-S478 VanDerWaalsContact O-N 3.14Å; N476-S478 VanDerWaalsContact C-N 3.32Å; N476-S478 PolarHBondContact O-N 3.03Å; S478-M480 VanDerWaalsContact C-N 3.29Å; S478-M480 PolarHBondContact O-N 2.71Å; S478-K481 WeakPolarHBondContact O-CB 3.24Å; S478-K481 PolarHBondContact O-N 2.87Å; S478-L482 PolarHBondContact O-N 3.21Å
479	Y	83.7	Confident	81.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-37.3	173.7	-97.8	-78.2	0	0	0	112.7	I412 I475 N476 K481 L482 L483 L539 Y541 F633 M1006	I412-Y479 HydrophobicContact CD1-CD2 4.18Å; I412-Y479 HydrophobicContact CD1-CE2 3.33Å; I412-Y479 HydrophobicContact CG1-CE2 4.5Å; I412-Y479 HydrophobicContact CG2-CD2 4.46Å; I475-Y479 HydrophobicContact CG2-CD2 3.43Å; I475-Y479 VanDerWaalsContact CG2-CD2 3.43Å; I475-Y479 HydrophobicContact CG2-CE2 3.46Å; I475-Y479 VanDerWaalsContact CG2-CE2 3.46Å; I475-Y479 WeakPolarHBondContact O-CD2 3.49Å; I475-Y479 PolarHBondContact O-N 2.89Å; N476-Y479 PolarHBondContact O-N 3.41Å; Y479-K481 PolarHBondContact O-N 3.33Å; Y479-K481 VanDerWaalsContact O-N 3.16Å; Y479-L482 PolarHBondContact O-N 3.25Å; Y479-L483 WeakPolarHBondContact O-CG 3.33Å; Y479-L483 PolarHBondContact O-N 3.06Å; Y479-L539 HydrophobicContact CD1-CD2 3.98Å; Y479-L539 HydrophobicContact CE1-CD2 3.78Å; Y479-Y541 VanDerWaalsContact OH-CD2 3.25Å; Y479-Y541 WeakPolarHBondContact OH-CD2 3.31Å; Y479-F633 HydrophobicContact CD1-CD1 4.39Å; Y479-F633 AromaticContact CD1-CE1 3.99Å; Y479-F633 HydrophobicContact CD1-CE1 3.99Å; Y479-F633 HydrophobicContact CD1-CZ 4.12Å; Y479-F633 HydrophobicContact CE1-CB 4.48Å; Y479-F633 AromaticContact CE1-CD1 3.34Å; Y479-F633 HydrophobicContact CE1-CD1 3.34Å; Y479-F633 HydrophobicContact CE1-CD2 4.08Å; Y479-F633 AromaticContact CE1-CE1 3.35Å; Y479-F633 HydrophobicContact CE1-CE1 3.35Å; Y479-F633 HydrophobicContact CE1-CE2 4.11Å; Y479-F633 AromaticContact CE1-CG 3.71Å; Y479-F633 HydrophobicContact CE1-CG 3.71Å; Y479-F633 AromaticContact CE1-CZ 3.75Å; Y479-F633 HydrophobicContact CE1-CZ 3.75Å; Y479-F633 AromaticContact CZ-CD1 3.85Å; Y479-M1006 HydrophobicContact CD2-CE 4.37Å; Y479-M1006 HydrophobicContact CD2-SD 4.39Å; Y479-M1006 HydrophobicContact CE1-CE 4.21Å; Y479-M1006 HydrophobicContact CE2-CE 3.37Å; Y479-M1006 HydrophobicContact CE2-SD 3.69Å; Y479-M1006 WeakPolarHBondContact OH-CE 3.41Å
480	M	76.9	Confident	79.2	Confident	35 Å²	35	32.5 Å²	32.5	17%	0.172	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-30.3	175.1	-58.1	-56	174.3	0	0	113.1	K422 N476 S478 I490 F494	K422-M480 PolarHBondContact NZ-O 2.97Å; N476-M480 WeakPolarHBondContact O-CG 3.43Å; N476-M480 PolarHBondContact O-N 3.12Å; S478-M480 VanDerWaalsContact C-N 3.29Å; S478-M480 PolarHBondContact O-N 2.71Å; M480-I490 HydrophobicContact CB-CG2 4.4Å; M480-I490 HydrophobicContact CG-CG2 4.49Å; M480-I490 HydrophobicContact SD-CG2 3.79Å; M480-F494 HydrophobicContact CE-CB 3.55Å; M480-F494 HydrophobicContact CE-CD1 3.51Å; M480-F494 HydrophobicContact CE-CG 3.97Å; M480-F494 WeakPolarHBondContact CE-O 3.43Å; M480-F494 HydrophobicContact SD-CB 3.68Å; M480-F494 HydrophobicContact SD-CD1 3.41Å; M480-F494 WeakPolarHBondContact SD-CD1 3.49Å; M480-F494 HydrophobicContact SD-CE1 4.3Å; M480-F494 HydrophobicContact SD-CG 3.85Å
481	K	77.8	Confident	77.2	Confident	44 Å²	44	37.4 Å²	37.4	19%	0.191	20%	0.198	C	C	.	.	H	α-helix	trans	-76.6	-41.4	176.6	-64.5	-175.6	177.1	-179.3	0	110.8	A416 I419 K422 S478 Y479 L483	A416-K481 HydrophobicContact CB-CB 4.37Å; A416-K481 HydrophobicContact CB-CD 4.33Å; I419-K481 HydrophobicContact CD1-CB 4.13Å; I419-K481 WeakPolarHBondContact CD1-O 3.43Å; K422-K481 HydrophobicContact CD-CG 4.41Å; K422-K481 PolarHBondContact NZ-O 3.39Å; S478-K481 WeakPolarHBondContact O-CB 3.24Å; S478-K481 PolarHBondContact O-N 2.87Å; Y479-K481 PolarHBondContact O-N 3.33Å; Y479-K481 VanDerWaalsContact O-N 3.16Å; K481-L483 VanDerWaalsContact C-N 3.35Å
482	L	81	Confident	75.1	Confident	3 Å²	3	43 Å²	43	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-75.4	-15.5	-177.1	-65.1	176.2	0	0	0	114.7	I412 F415 A416 I419 S478 Y479 W1022 F1152	I412-L482 HydrophobicContact CG2-CD1 3.95Å; F415-L482 HydrophobicContact CB-CD2 4.35Å; A416-L482 HydrophobicContact CB-CG 4.38Å; I419-L482 HydrophobicContact CD1-CD2 3.86Å; S478-L482 PolarHBondContact O-N 3.21Å; Y479-L482 PolarHBondContact O-N 3.25Å; L482-W1022 HydrophobicContact CD1-CE3 4.31Å; L482-W1022 HydrophobicContact CD1-CH2 4.21Å; L482-W1022 HydrophobicContact CD1-CZ3 4Å; L482-W1022 HydrophobicContact CD2-CH2 4.21Å; L482-W1022 HydrophobicContact CD2-CZ2 3.99Å; L482-F1152 VanDerWaalsContact C-CZ 3.47Å; L482-F1152 WeakPolarHBondContact O-CE1 3.18Å; L482-F1152 WeakPolarHBondContact O-CZ 3.2Å
483	L	78.4	Confident	73.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-97.2	144.3	177.7	-67.2	170.7	0	0	0	112.1	K422 Y479 K481 S485 F488 I490 F494 F633 I635 F1019	K422-L483 PolarHBondContact NZ-O 3Å; Y479-L483 WeakPolarHBondContact O-CG 3.33Å; Y479-L483 PolarHBondContact O-N 3.06Å; K481-L483 VanDerWaalsContact C-N 3.35Å; L483-S485 PolarHBondContact O-N 2.76Å; L483-F488 HydrophobicContact CB-CD2 4.09Å; L483-F488 HydrophobicContact CB-CE2 4.43Å; L483-F488 HydrophobicContact CD2-CD2 4.37Å; L483-F488 HydrophobicContact CD2-CE2 3.94Å; L483-F488 HydrophobicContact CD2-CZ 4.35Å; L483-I490 HydrophobicContact CB-CD1 4.19Å; L483-F494 HydrophobicContact CD1-CD1 4.46Å; L483-F494 HydrophobicContact CD1-CE1 3.34Å; L483-F494 HydrophobicContact CD1-CE2 4.44Å; L483-F494 HydrophobicContact CD1-CZ 3.33Å; L483-F633 HydrophobicContact CD2-CE2 3.8Å; L483-F633 HydrophobicContact CD2-CZ 3.74Å; L483-I635 HydrophobicContact CD2-CD1 4.12Å; L483-F1019 HydrophobicContact CD2-CD1 3.9Å; L483-F1019 HydrophobicContact CD2-CE1 4.09Å
484	P	73.6	Confident	71.9	Confident	15 Å²	15	47.8 Å²	47.8	10%	0.097	25%	0.251	C	S	.	.			trans	-61.6	119.3	171.5	-23.3	33.9	0	0	0	111.6	H486 Q487 F1019 F1152	P484-H486 VanDerWaalsContact C-N 3.3Å; P484-H486 PolarHBondContact O-N 2.78Å; P484-Q487 HydrophobicContact CB-CB 4.47Å; P484-Q487 HydrophobicContact CB-CG 4.14Å; P484-Q487 PolarHBondContact O-N 3.04Å; P484-F1019 HydrophobicContact CG-CB 4.03Å; P484-F1019 HydrophobicContact CG-CD2 3.57Å; P484-F1019 HydrophobicContact CG-CE2 4.1Å; P484-F1019 HydrophobicContact CG-CG 3.87Å; P484-F1152 HydrophobicContact CG-CD1 4.43Å
485	S	66.4	Low	71.3	Confident	70 Å²	70	52.3 Å²	52.3	49%	0.49	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.4	-173.6	47.6	0	0	0	0	114.2	L483	L483-S485 PolarHBondContact O-N 2.76Å
486	H	63.1	Low	71	Confident	119 Å²	119	52.5 Å²	52.5	55%	0.551	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-29.1	-177.4	71.1	-93.7	0	0	0	113	P484 D1154	P484-H486 VanDerWaalsContact C-N 3.3Å; P484-H486 PolarHBondContact O-N 2.78Å; H486-D1154 PolarHBondContact CE1-OXT 3.17Å
487	Q	63.7	Low	71.1	Confident	44 Å²	44	53.8 Å²	53.8	21%	0.206	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-38.1	-174.8	-58.9	-170.4	-8.3	0	0	112.8	P484 D1017 L1018	P484-Q487 HydrophobicContact CB-CB 4.47Å; P484-Q487 HydrophobicContact CB-CG 4.14Å; P484-Q487 PolarHBondContact O-N 3.04Å; Q487-D1017 PolarHBondContact NE2-O 2.88Å; Q487-L1018 HydrophobicContact CB-CD1 4.05Å
488	F	63.9	Low	71.6	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.026	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	6.7	-175.3	-68.6	-80.7	0	0	0	114.4	L483 I490 F494 I635 Q1013 L1018 F1019	L483-F488 HydrophobicContact CB-CD2 4.09Å; L483-F488 HydrophobicContact CB-CE2 4.43Å; L483-F488 HydrophobicContact CD2-CD2 4.37Å; L483-F488 HydrophobicContact CD2-CE2 3.94Å; L483-F488 HydrophobicContact CD2-CZ 4.35Å; F488-I490 VanDerWaalsContact C-N 3.25Å; F488-I490 HydrophobicContact CB-CD1 4.47Å; F488-I490 HydrophobicContact CB-CG1 3.9Å; F488-I490 PolarHBondContact O-N 3.35Å; F488-F494 HydrophobicContact CB-CD2 4.21Å; F488-F494 HydrophobicContact CB-CE2 3.75Å; F488-F494 HydrophobicContact CB-CZ 4.42Å; F488-F494 AromaticContact CD1-CE2 3.75Å; F488-F494 HydrophobicContact CD1-CE2 3.75Å; F488-F494 HydrophobicContact CD1-CZ 4.14Å; F488-F494 AromaticContact CG-CE2 3.99Å; F488-F494 HydrophobicContact CG-CE2 3.99Å; F488-F494 HydrophobicContact CG-CZ 4.35Å; F488-I635 HydrophobicContact CE1-CD1 4.19Å; F488-I635 HydrophobicContact CE2-CD1 4.49Å; F488-I635 HydrophobicContact CZ-CD1 3.62Å; F488-Q1013 PolarHBondContact O-NE2 2.75Å; F488-L1018 HydrophobicContact CD1-CD2 4.48Å; F488-L1018 HydrophobicContact CE1-CD1 4.43Å; F488-L1018 HydrophobicContact CE1-CD2 3.57Å; F488-L1018 HydrophobicContact CE1-CG 4.05Å; F488-L1018 HydrophobicContact CZ-CD1 4.46Å; F488-L1018 HydrophobicContact CZ-CD2 3.78Å; F488-L1018 HydrophobicContact CZ-CG 3.85Å; F488-F1019 HydrophobicContact CE2-CB 3.68Å; F488-F1019 HydrophobicContact CE2-CD1 4.49Å; F488-F1019 HydrophobicContact CE2-CG 4.46Å; F488-F1019 HydrophobicContact CZ-CB 4.04Å
489	N	59.7	Low	71.9	Confident	88 Å²	88	52.9 Å²	52.9	47%	0.471	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	47	-178.8	-151.5	10.4	0	0	0	112.5	T491 N492	N489-T491 PolarHBondContact O-N 2.95Å; N489-T491 PolarHBondContact OD1-OG1 3.06Å; N489-N492 PolarHBondContact O-N 3.37Å; N489-N492 VanDerWaalsContact O-N 3.13Å
490	I	53.9	Low	72.4	Confident	39 Å²	39	56.6 Å²	56.6	20%	0.2	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-14.6	-167.8	-59.7	-173.3	0	0	0	113.2	M480 L483 F488 N492	M480-I490 HydrophobicContact CB-CG2 4.4Å; M480-I490 HydrophobicContact CG-CG2 4.49Å; M480-I490 HydrophobicContact SD-CG2 3.79Å; L483-I490 HydrophobicContact CB-CD1 4.19Å; F488-I490 VanDerWaalsContact C-N 3.25Å; F488-I490 HydrophobicContact CB-CD1 4.47Å; F488-I490 HydrophobicContact CB-CG1 3.9Å; F488-I490 PolarHBondContact O-N 3.35Å; I490-N492 VanDerWaalsContact C-N 3.26Å; I490-N492 PolarHBondContact O-N 2.56Å
491	T	55.1	Low	73.2	Confident	123 Å²	123	59.1 Å²	59.1	76%	0.755	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.8	175.5	43.8	0	0	0	0	114.4	N489	N489-T491 PolarHBondContact O-N 2.95Å; N489-T491 PolarHBondContact OD1-OG1 3.06Å
492	N	50	Low	73.9	Confident	118 Å²	118	58.8 Å²	58.8	63%	0.631	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	108.9	177.4	-77.1	-14.8	0	0	0	110.7	N489 I490 F494	N489-N492 PolarHBondContact O-N 3.37Å; N489-N492 VanDerWaalsContact O-N 3.13Å; I490-N492 VanDerWaalsContact C-N 3.26Å; I490-N492 PolarHBondContact O-N 2.56Å; N492-F494 VanDerWaalsContact C-N 3.32Å; N492-F494 PolarHBondContact O-N 3.47Å
493	Q	54.8	Low	74.4	Confident	194 Å²	194	60.7 Å²	60.7	91%	0.907	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	29.8	56.2	163.5	-72.4	-177.6	-27.2	0	0	116	D495	Q493-D495 PolarHBondContact O-N 2.83Å
494	F	64.9	Low	75.2	Confident	23 Å²	23	61.6 Å²	61.6	10%	0.101	33%	0.328	C	S	.	.			trans	-69.4	117.2	161.1	-159.8	-95.4	0	0	0	105.7	M480 L483 F488 N492 V496 I1008	M480-F494 HydrophobicContact CE-CB 3.55Å; M480-F494 HydrophobicContact CE-CD1 3.51Å; M480-F494 HydrophobicContact CE-CG 3.97Å; M480-F494 WeakPolarHBondContact CE-O 3.43Å; M480-F494 HydrophobicContact SD-CB 3.68Å; M480-F494 HydrophobicContact SD-CD1 3.41Å; M480-F494 WeakPolarHBondContact SD-CD1 3.49Å; M480-F494 HydrophobicContact SD-CE1 4.3Å; M480-F494 HydrophobicContact SD-CG 3.85Å; L483-F494 HydrophobicContact CD1-CD1 4.46Å; L483-F494 HydrophobicContact CD1-CE1 3.34Å; L483-F494 HydrophobicContact CD1-CE2 4.44Å; L483-F494 HydrophobicContact CD1-CZ 3.33Å; F488-F494 HydrophobicContact CB-CD2 4.21Å; F488-F494 HydrophobicContact CB-CE2 3.75Å; F488-F494 HydrophobicContact CB-CZ 4.42Å; F488-F494 AromaticContact CD1-CE2 3.75Å; F488-F494 HydrophobicContact CD1-CE2 3.75Å; F488-F494 HydrophobicContact CD1-CZ 4.14Å; F488-F494 AromaticContact CG-CE2 3.99Å; F488-F494 HydrophobicContact CG-CE2 3.99Å; F488-F494 HydrophobicContact CG-CZ 4.35Å; N492-F494 VanDerWaalsContact C-N 3.32Å; N492-F494 PolarHBondContact O-N 3.47Å; F494-V496 HydrophobicContact CD1-CG2 4.23Å; F494-V496 HydrophobicContact CE1-CG2 4.05Å; F494-I1008 HydrophobicContact CD1-CD1 4.07Å; F494-I1008 HydrophobicContact CD2-CG2 4.07Å; F494-I1008 HydrophobicContact CE1-CD1 3.23Å; F494-I1008 HydrophobicContact CE2-CD1 3.88Å; F494-I1008 HydrophobicContact CE2-CG2 3.9Å; F494-I1008 HydrophobicContact CG-CG2 4.46Å; F494-I1008 HydrophobicContact CZ-CD1 3.11Å; F494-I1008 HydrophobicContact CZ-CG1 4.42Å; F494-I1008 HydrophobicContact CZ-CG2 4.2Å
495	D	77.8	Confident	76.2	Confident	98 Å²	98	61 Å²	61	52%	0.524	32%	0.324	S	S	.	.			trans	-132.8	101.6	180	-164.8	20.8	0	0	0	109.2	Q493 T497	Q493-D495 PolarHBondContact O-N 2.83Å; D495-T497 PolarHBondContact O-N 3.24Å; D495-T497 VanDerWaalsContact O-N 3.14Å; D495-T497 PolarHBondContact O-OG1 3.18Å
496	V	87.5	Confident	77.4	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.036	30%	0.301	C	S	.	.			trans	-67.6	110.2	177.2	179.9	0	0	0	0	108.2	N476 F494 F498 M1006 I1008	N476-V496 HydrophobicContact CB-CB 4.29Å; N476-V496 VanDerWaalsContact OD1-CB 3.24Å; N476-V496 WeakPolarHBondContact OD1-CB 3.4Å; N476-V496 VanDerWaalsContact OD1-CG2 3.29Å; N476-V496 WeakPolarHBondContact OD1-CG2 3.25Å; N476-V496 PolarHBondContact OD1-N 3.12Å; F494-V496 HydrophobicContact CD1-CG2 4.23Å; F494-V496 HydrophobicContact CE1-CG2 4.05Å; V496-F498 HydrophobicContact CG1-CE2 4.22Å; V496-M1006 HydrophobicContact CG1-CB 3.54Å; V496-M1006 HydrophobicContact CG1-CG 3.92Å; V496-M1006 HydrophobicContact CG1-SD 3.6Å; V496-I1008 HydrophobicContact CG2-CD1 3.86Å; V496-I1008 HydrophobicContact CG2-CG1 4.33Å
497	T	90.7	Very high	78.8	Confident	46 Å²	46	52.2 Å²	52.2	28%	0.282	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.2	-179.8	-51.6	0	0	0	0	111.1	D495 T509 F1007	D495-T497 PolarHBondContact O-N 3.24Å; D495-T497 VanDerWaalsContact O-N 3.14Å; D495-T497 PolarHBondContact O-OG1 3.18Å; T497-T509 WeakPolarHBondContact CB-OG1 3.35Å; T497-T509 VanDerWaalsContact CG2-OG1 3.22Å; T497-T509 WeakPolarHBondContact CG2-OG1 3.34Å; T497-F1007 PolarHBondContact N-O 2.87Å; T497-F1007 PolarHBondContact O-N 2.95Å
498	F	93.8	Very high	79.9	Confident	25 Å²	25	55 Å²	55	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	139.6	167.5	-67.1	-93.1	0	0	0	110.1	L405 M408 Q472 I475 V496 I1004 M1006	L405-F498 HydrophobicContact CD1-CE1 4.09Å; M408-F498 HydrophobicContact CE-CE1 3.5Å; M408-F498 VanDerWaalsContact CE-CE1 3.5Å; M408-F498 HydrophobicContact CE-CZ 3.87Å; Q472-F498 HydrophobicContact CB-CD2 3.64Å; Q472-F498 HydrophobicContact CB-CE2 3.63Å; Q472-F498 HydrophobicContact CB-CG 4.34Å; Q472-F498 HydrophobicContact CB-CZ 4.33Å; Q472-F498 HydrophobicContact CG-CB 4.34Å; Q472-F498 HydrophobicContact CG-CD1 4.04Å; Q472-F498 HydrophobicContact CG-CD2 3.49Å; Q472-F498 VanDerWaalsContact CG-CD2 3.49Å; Q472-F498 HydrophobicContact CG-CE1 4.22Å; Q472-F498 HydrophobicContact CG-CE2 3.69Å; Q472-F498 HydrophobicContact CG-CG 3.67Å; Q472-F498 HydrophobicContact CG-CZ 4.05Å; I475-F498 HydrophobicContact CB-CZ 4.16Å; I475-F498 HydrophobicContact CD1-CZ 4.18Å; I475-F498 HydrophobicContact CG2-CE2 4.48Å; I475-F498 HydrophobicContact CG2-CZ 3.79Å; V496-F498 HydrophobicContact CG1-CE2 4.22Å; F498-I1004 HydrophobicContact CD1-CG2 4.49Å; F498-I1004 HydrophobicContact CE1-CG2 4.32Å; F498-M1006 HydrophobicContact CD1-CG 3.93Å; F498-M1006 HydrophobicContact CE1-CG 3.49Å; F498-M1006 VanDerWaalsContact CE1-CG 3.49Å; F498-M1006 HydrophobicContact CE1-SD 3.65Å; F498-M1006 HydrophobicContact CE2-SD 4.35Å; F498-M1006 HydrophobicContact CZ-CG 3.84Å; F498-M1006 HydrophobicContact CZ-SD 3.49Å; F498-M1006 WeakPolarHBondContact CZ-SD 3.47Å
499	C	93.8	Very high	81.1	Confident	14 Å²	14	55 Å²	55	10%	0.095	29%	0.292	C	S	.	.			trans	-106	83	172.2	-72	0	0	0	0	109.8	L501 L502 C507 F1007	C499-L501 PolarHBondContact O-N 2.96Å; C499-L501 VanDerWaalsContact O-N 3.11Å; C499-L502 HydrophobicContact CB-CD1 3.92Å; C499-L502 HydrophobicContact CB-CD2 4.04Å; C499-L502 HydrophobicContact CB-CG 3.59Å; C499-L502 WeakPolarHBondContact O-CB 3.38Å; C499-L502 WeakPolarHBondContact O-CD1 3.41Å; C499-L502 WeakPolarHBondContact O-CG 2.88Å; C499-L502 PolarHBondContact O-N 3.33Å; C499-L502 VanDerWaalsContact O-N 3.16Å; C499-C507 HydrophobicContact CB-CB 3.55Å; C499-C507 WeakPolarHBondContact CB-SG 3.45Å; C499-C507 WeakPolarHBondContact SG-CA 3.02Å; C499-C507 WeakPolarHBondContact SG-CB 3.1Å; C499-C507 CovalentContact SG-SG 2.03Å; C499-C507 PolarHBondContact SG-SG 3.23Å; C499-F1007 HydrophobicContact CB-CD2 4.47Å; C499-F1007 HydrophobicContact CB-CE2 4.2Å
500	D	93.1	Very high	82.5	Confident	78 Å²	78	50.8 Å²	50.8	42%	0.417	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.3	-175.1	-55.5	-35.7	0	0	0	113.3	K469 Q472	K469-D500 VanDerWaalsContact CE-OD2 3.3Å; K469-D500 WeakPolarHBondContact CE-OD2 3.48Å; K469-D500 IonicContact NZ-OD2 2.97Å; K469-D500 PolarHBondContact NZ-OD2 3.45Å; Q472-D500 PolarHBondContact NE2-OD1 2.67Å
501	L	93.4	Very high	83.8	Confident	88 Å²	88	49.1 Å²	49.1	46%	0.461	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	19.4	-177.7	-59	-179	0	0	0	113.1	C499 N503 I504 S505 L506	C499-L501 PolarHBondContact O-N 2.96Å; C499-L501 VanDerWaalsContact O-N 3.11Å; L501-N503 PolarHBondContact O-N 3.39Å; L501-I504 HydrophobicContact CB-CD1 4.28Å; L501-I504 HydrophobicContact CB-CG1 3.97Å; L501-I504 HydrophobicContact CD2-CD1 4.43Å; L501-I504 CarbonylContact O-C 3.59Å; L501-I504 VanDerWaalsContact O-CG1 3.24Å; L501-I504 WeakPolarHBondContact O-CG1 3.4Å; L501-I504 PolarHBondContact O-N 3.29Å; L501-S505 PolarHBondContact O-N 3.13Å; L501-L506 CarbonylContact C-O 3.57Å; L501-L506 HydrophobicContact CB-CB 3.83Å; L501-L506 HydrophobicContact CB-CD1 4.4Å; L501-L506 HydrophobicContact CD1-CD1 4.12Å; L501-L506 PolarHBondContact O-N 2.77Å; L501-L506 VanDerWaalsContact O-N 3.12Å
502	L	93.3	Very high	84.5	Confident	38 Å²	38	47.9 Å²	47.9	20%	0.199	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-56.7	-31.3	175	-80.3	169.6	0	0	0	112.9	C499 I504 S505 L506 C507 F555 P556 P1005 F1007	C499-L502 HydrophobicContact CB-CD1 3.92Å; C499-L502 HydrophobicContact CB-CD2 4.04Å; C499-L502 HydrophobicContact CB-CG 3.59Å; C499-L502 WeakPolarHBondContact O-CB 3.38Å; C499-L502 WeakPolarHBondContact O-CD1 3.41Å; C499-L502 WeakPolarHBondContact O-CG 2.88Å; C499-L502 PolarHBondContact O-N 3.33Å; C499-L502 VanDerWaalsContact O-N 3.16Å; L502-I504 PolarHBondContact O-N 3.31Å; L502-S505 WeakPolarHBondContact O-CA 3.28Å; L502-S505 PolarHBondContact O-N 3.34Å; L502-L506 PolarHBondContact N-O 3.35Å; L502-C507 HydrophobicContact CD2-CB 4.12Å; L502-F555 HydrophobicContact CD2-CB 4.07Å; L502-P556 VanDerWaalsContact CD2-CD 3.49Å; L502-P556 HydrophobicContact CD2-CG 4.41Å; L502-P1005 HydrophobicContact CD1-CG 3.46Å; L502-P1005 VanDerWaalsContact CD1-CG 3.46Å; L502-F1007 HydrophobicContact CD1-CE2 4.46Å
503	N	92.2	Very high	85.3	Confident	43 Å²	43	42.8 Å²	42.8	23%	0.23	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29	175.8	-179.1	48.8	0	0	0	112.7	Y397 L501 R975	Y397-N503 HydrophobicContact CE1-CB 3.81Å; L501-N503 PolarHBondContact O-N 3.39Å; N503-R975 VanDerWaalsContact O-CD 3.27Å; N503-R975 WeakPolarHBondContact O-CD 3.39Å; N503-R975 PolarHBondContact O-NH1 2.99Å
504	I	93.9	Very high	85.3	Confident	19 Å²	19	35.8 Å²	35.8	10%	0.097	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-105.3	22	174.5	61.9	168.1	0	0	0	111.8	L501 L502 L506 I607 E609 R610	L501-I504 HydrophobicContact CB-CD1 4.28Å; L501-I504 HydrophobicContact CB-CG1 3.97Å; L501-I504 HydrophobicContact CD2-CD1 4.43Å; L501-I504 CarbonylContact O-C 3.59Å; L501-I504 VanDerWaalsContact O-CG1 3.24Å; L501-I504 WeakPolarHBondContact O-CG1 3.4Å; L501-I504 PolarHBondContact O-N 3.29Å; L502-I504 PolarHBondContact O-N 3.31Å; I504-L506 HydrophobicContact CD1-CD1 3.64Å; I504-L506 HydrophobicContact CD1-CG 4.24Å; I504-L506 HydrophobicContact CG1-CB 4.49Å; I504-L506 HydrophobicContact CG1-CD1 4.04Å; I504-L506 HydrophobicContact CG1-CG 4.1Å; I504-L506 PolarHBondContact O-N 3.11Å; I504-I607 HydrophobicContact CB-CD1 4.06Å; I504-I607 HydrophobicContact CD1-CG2 4.27Å; I504-I607 HydrophobicContact CG2-CD1 3.76Å; I504-I607 HydrophobicContact CG2-CG2 4.34Å; I504-E609 HydrophobicContact CD1-CB 3.63Å; I504-R610 HydrophobicContact CD1-CG 4.31Å; I504-R610 WeakPolarHBondContact O-CD 3.29Å; I504-R610 PolarHBondContact O-NH1 2.95Å
505	S	94.4	Very high	84.8	Confident	1 Å²	1	38 Å²	38	1%	0.007	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	41.6	178.1	-40.8	0	0	0	0	113.3	L501 L502 P556 R610 E620 R975	L501-S505 PolarHBondContact O-N 3.13Å; L502-S505 WeakPolarHBondContact O-CA 3.28Å; L502-S505 PolarHBondContact O-N 3.34Å; S505-P556 VanDerWaalsContact C-CG 3.44Å; S505-P556 WeakPolarHBondContact O-CB 3.25Å; S505-P556 VanDerWaalsContact O-CG 3.29Å; S505-P556 WeakPolarHBondContact O-CG 3.5Å; S505-R610 PolarHBondContact O-NH1 3.07Å; S505-E620 WeakPolarHBondContact CB-OE1 3.36Å; S505-E620 PolarHBondContact OG-OE1 2.9Å; S505-R975 PolarHBondContact OG-NH1 2.76Å
506	L	92.9	Very high	83.8	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	20%	0.204	C	C	.	.			trans	-116.7	137.1	174	-66.4	-179.5	0	0	0	111.8	L501 L502 I504 R610 H615	L501-L506 CarbonylContact C-O 3.57Å; L501-L506 HydrophobicContact CB-CB 3.83Å; L501-L506 HydrophobicContact CB-CD1 4.4Å; L501-L506 HydrophobicContact CD1-CD1 4.12Å; L501-L506 PolarHBondContact O-N 2.77Å; L501-L506 VanDerWaalsContact O-N 3.12Å; L502-L506 PolarHBondContact N-O 3.35Å; I504-L506 HydrophobicContact CD1-CD1 3.64Å; I504-L506 HydrophobicContact CD1-CG 4.24Å; I504-L506 HydrophobicContact CG1-CB 4.49Å; I504-L506 HydrophobicContact CG1-CD1 4.04Å; I504-L506 HydrophobicContact CG1-CG 4.1Å; I504-L506 PolarHBondContact O-N 3.11Å; L506-R610 HydrophobicContact CD1-CB 4.32Å; L506-R610 HydrophobicContact CD1-CG 3.86Å; L506-R610 HydrophobicContact CD2-CB 4.2Å; L506-R610 HydrophobicContact CD2-CG 3.88Å; L506-R610 VanDerWaalsContact CD2-NH1 3.31Å; L506-R610 HydrophobicContact CG-CG 3.86Å; L506-H615 HydrophobicContact CD2-CB 3.66Å
507	C	92.5	Very high	82.2	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.02	21%	0.206	C	C	.	.			trans	-163.8	105.4	176.3	-177.2	0	0	0	0	110.6	C499 L502 T509 T510 E511 P556	C499-C507 HydrophobicContact CB-CB 3.55Å; C499-C507 WeakPolarHBondContact CB-SG 3.45Å; C499-C507 WeakPolarHBondContact SG-CA 3.02Å; C499-C507 WeakPolarHBondContact SG-CB 3.1Å; C499-C507 CovalentContact SG-SG 2.03Å; C499-C507 PolarHBondContact SG-SG 3.23Å; L502-C507 HydrophobicContact CD2-CB 4.12Å; C507-T509 PolarHBondContact O-N 2.97Å; C507-T509 VanDerWaalsContact O-N 3.13Å; C507-T510 VanDerWaalsContact CB-OG1 3.26Å; C507-T510 WeakPolarHBondContact CB-OG1 3.33Å; C507-T510 PolarHBondContact O-N 3.04Å; C507-T510 PolarHBondContact O-OG1 3.4Å; C507-T510 PolarHBondContact SG-OG1 2.95Å; C507-T510 VanDerWaalsContact SG-OG1 3.38Å; C507-E511 PolarHBondContact N-OE1 2.71Å; C507-E511 VanDerWaalsContact N-OE1 3.1Å; C507-E511 WeakPolarHBondContact O-CB 3.49Å; C507-E511 WeakPolarHBondContact O-CG 3.39Å; C507-E511 PolarHBondContact O-N 3.25Å; C507-P556 HydrophobicContact CB-CG 3.63Å
508	N	87.3	Confident	80.3	Confident	102 Å²	102	44.2 Å²	44.2	55%	0.545	22%	0.218	S	C	.	.	H	α-helix	trans	-54.1	-37.1	-177.4	-72.6	-9.6	0	0	0	113.2	Y512 H615	N508-Y512 PolarHBondContact O-N 3.49Å; N508-H615 PolarHBondContact OD1-CE1 3.48Å
509	T	87.6	Confident	78	Confident	6 Å²	6	45.7 Å²	45.7	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-69.7	-41.2	-176.5	-54.2	0	0	0	0	111.9	T497 C507 Y512 I536 F1007 R1009	T497-T509 WeakPolarHBondContact CB-OG1 3.35Å; T497-T509 VanDerWaalsContact CG2-OG1 3.22Å; T497-T509 WeakPolarHBondContact CG2-OG1 3.34Å; C507-T509 PolarHBondContact O-N 2.97Å; C507-T509 VanDerWaalsContact O-N 3.13Å; T509-Y512 WeakPolarHBondContact O-CB 3.11Å; T509-I536 HydrophobicContact CG2-CD1 4.31Å; T509-I536 HydrophobicContact CG2-CG2 4.33Å; T509-I536 WeakPolarHBondContact O-CD1 3.37Å; T509-F1007 HydrophobicContact CG2-CB 3.63Å; T509-R1009 HydrophobicContact CG2-CG 4.38Å
510	T	89.5	Confident	75.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-85.4	-19.4	-178.2	59.6	0	0	0	0	113	C507 I536 F555 P556 F1007	C507-T510 VanDerWaalsContact CB-OG1 3.26Å; C507-T510 WeakPolarHBondContact CB-OG1 3.33Å; C507-T510 PolarHBondContact O-N 3.04Å; C507-T510 PolarHBondContact O-OG1 3.4Å; C507-T510 PolarHBondContact SG-OG1 2.95Å; C507-T510 VanDerWaalsContact SG-OG1 3.38Å; T510-I536 HydrophobicContact CG2-CD1 4.31Å; T510-F555 HydrophobicContact CG2-CD2 3.6Å; T510-F555 HydrophobicContact CG2-CE2 4.03Å; T510-F555 HydrophobicContact CG2-CG 4.25Å; T510-P556 VanDerWaalsContact CB-O 3.28Å; T510-P556 WeakPolarHBondContact CB-O 3.26Å; T510-P556 PolarHBondContact OG1-O 3.35Å; T510-F1007 HydrophobicContact CG2-CD1 3.67Å; T510-F1007 HydrophobicContact CG2-CE1 3.53Å; T510-F1007 HydrophobicContact CG2-CG 4.23Å; T510-F1007 HydrophobicContact CG2-CZ 4Å
511	E	82.1	Confident	72.8	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.019	29%	0.285	C	S	.	.	H	α-helix	trans	-79.8	-15.4	172.3	-69.3	-175.9	-104.2	0	0	113.6	C507 Y513 Q514 H615 H616 A617	C507-E511 PolarHBondContact N-OE1 2.71Å; C507-E511 VanDerWaalsContact N-OE1 3.1Å; C507-E511 WeakPolarHBondContact O-CB 3.49Å; C507-E511 WeakPolarHBondContact O-CG 3.39Å; C507-E511 PolarHBondContact O-N 3.25Å; E511-Y513 PolarHBondContact O-N 3.14Å; E511-Q514 WeakPolarHBondContact O-CB 3.13Å; E511-Q514 PolarHBondContact O-N 3.25Å; E511-H615 IonicContact OE1-CE1 3.59Å; E511-H615 IonicContact OE1-ND1 2.72Å; E511-H615 PolarHBondContact OE1-ND1 3.16Å; E511-H615 VanDerWaalsContact OE1-ND1 3.11Å; E511-H615 VanDerWaalsContact OE2-CA 3.28Å; E511-H615 WeakPolarHBondContact OE2-CA 3.41Å; E511-H615 IonicContact OE2-ND1 3.39Å; E511-H616 PolarHBondContact OE2-N 3.04Å; E511-A617 HydrophobicContact CG-CB 3.83Å; E511-A617 WeakPolarHBondContact OE2-CB 3.01Å; E511-A617 PolarHBondContact OE2-N 3.2Å
512	Y	70	Confident	69.9	Low	96 Å²	96	56.8 Å²	56.8	38%	0.376	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-31.7	-176.8	175.7	-108.1	0	0	0	115.2	N508 T509 Q514 S515	N508-Y512 PolarHBondContact O-N 3.49Å; T509-Y512 WeakPolarHBondContact O-CB 3.11Å; Y512-Q514 PolarHBondContact O-N 2.74Å; Y512-S515 PolarHBondContact O-N 3.35Å; Y512-S515 PolarHBondContact O-OG 3.4Å
513	Y	65.1	Low	67.1	Low	12 Å²	12	62.2 Å²	62.2	5%	0.047	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.5	176.6	-75.3	-76.6	0	0	0	113.7	E511 S515 Y516 L517 D534 G535 I536 F638 K639 I640	E511-Y513 PolarHBondContact O-N 3.14Å; Y513-S515 PolarHBondContact O-N 2.88Å; Y513-Y516 PolarHBondContact O-N 2.87Å; Y513-Y516 VanDerWaalsContact O-N 3.08Å; Y513-L517 WeakPolarHBondContact O-CB 3.25Å; Y513-L517 WeakPolarHBondContact O-CG 3.34Å; Y513-L517 PolarHBondContact O-N 2.87Å; Y513-D534 PolarHBondContact OH-O 2.9Å; Y513-G535 WeakPolarHBondContact OH-CA 3.41Å; Y513-I536 HydrophobicContact CD2-CD1 4.34Å; Y513-I536 HydrophobicContact CE2-CD1 3.67Å; Y513-I536 HydrophobicContact CE2-CG1 4.09Å; Y513-F638 HydrophobicContact CD2-CE1 4.05Å; Y513-F638 HydrophobicContact CE2-CD1 4.08Å; Y513-F638 AromaticContact CE2-CE1 3.55Å; Y513-F638 HydrophobicContact CE2-CE1 3.55Å; Y513-F638 HydrophobicContact CE2-CZ 4.28Å; Y513-F638 PolarHBondContact OH-O 3.25Å; Y513-K639 WeakPolarHBondContact OH-CA 3.25Å; Y513-I640 HydrophobicContact CD1-CB 4.15Å; Y513-I640 HydrophobicContact CD1-CG1 4.45Å; Y513-I640 HydrophobicContact CD2-CD1 3.97Å; Y513-I640 HydrophobicContact CD2-CG1 4.16Å; Y513-I640 HydrophobicContact CE1-CB 4.32Å; Y513-I640 HydrophobicContact CE2-CG1 4.33Å; Y513-I640 HydrophobicContact CG-CB 4.37Å; Y513-I640 HydrophobicContact CG-CD1 3.98Å; Y513-I640 HydrophobicContact CG-CG1 4.23Å
514	Q	56.1	Low	64.2	Low	47 Å²	47	69.1 Å²	69.1	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-46.8	-44	172.8	-177.9	-176.5	-3.3	0	0	113.4	E511 Y512 H518 Y558 H616	E511-Q514 WeakPolarHBondContact O-CB 3.13Å; E511-Q514 PolarHBondContact O-N 3.25Å; Y512-Q514 PolarHBondContact O-N 2.74Å; Q514-H518 PolarHBondContact O-CD2 3.48Å; Q514-H518 PolarHBondContact O-N 3.35Å; Q514-Y558 HydrophobicContact CB-CD1 4.09Å; Q514-Y558 HydrophobicContact CG-CD1 4.1Å; Q514-Y558 HydrophobicContact CG-CE1 4.27Å; Q514-H616 PolarHBondContact NE2-CD2 2.97Å; Q514-H616 PolarHBondContact NE2-NE2 3.22Å; Q514-H616 PolarHBondContact OE1-CD2 2.89Å
515	S	54.9	Low	61.2	Low	70 Å²	70	74.8 Å²	74.8	49%	0.49	39%	0.387	S	S	.	.	H	α-helix	trans	-66.6	-39.5	-179.2	58.7	0	0	0	0	112.8	Y512 Y513	Y512-S515 PolarHBondContact O-N 3.35Å; Y512-S515 PolarHBondContact O-OG 3.4Å; Y513-S515 PolarHBondContact O-N 2.88Å
516	Y	55.4	Low	58.4	Low	149 Å²	149	83.2 Å²	83.2	58%	0.584	43%	0.427	S	S	*	.	H	α-helix	trans	-71.3	-39.8	178.6	-169.2	-95.8	0	0	0	112	Y513	Y513-Y516 PolarHBondContact O-N 2.87Å; Y513-Y516 VanDerWaalsContact O-N 3.08Å
517	L	55.1	Low	55.6	Low	15 Å²	15	90.4 Å²	90.4	8%	0.079	47%	0.465	C	S	.	.	H	α-helix	trans	-76.8	-21.9	-175.9	-61.3	168.6	0	0	0	113.3	Y513 G519 Y558 P560 F576 I640	Y513-L517 WeakPolarHBondContact O-CB 3.25Å; Y513-L517 WeakPolarHBondContact O-CG 3.34Å; Y513-L517 PolarHBondContact O-N 2.87Å; L517-G519 VanDerWaalsContact C-N 3.29Å; L517-G519 PolarHBondContact O-N 2.94Å; L517-Y558 HydrophobicContact CD1-CD1 4.45Å; L517-Y558 VanDerWaalsContact CD1-O 3.3Å; L517-Y558 WeakPolarHBondContact CD1-O 3.49Å; L517-P560 HydrophobicContact CB-CG 3.77Å; L517-F576 HydrophobicContact CD2-CD1 3.53Å; L517-F576 HydrophobicContact CD2-CE1 3.28Å; L517-F576 HydrophobicContact CD2-CZ 4.21Å; L517-F576 HydrophobicContact CG-CE1 4.42Å; L517-I640 HydrophobicContact CD1-CD1 4.37Å; L517-I640 HydrophobicContact CD2-CG2 3.95Å
518	H	50.7	Low	52.9	Low	116 Å²	116	94.7 Å²	94.7	54%	0.537	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1.2	177.1	-92.3	-63.8	0	0	0	115	Q514 S520 Y558	Q514-H518 PolarHBondContact O-CD2 3.48Å; Q514-H518 PolarHBondContact O-N 3.35Å; H518-S520 VanDerWaalsContact C-N 3.33Å; H518-S520 PolarHBondContact O-N 3.43Å; H518-Y558 AromaticContact NE2-CE1 3.78Å; H518-Y558 AromaticContact NE2-CZ 3.94Å; H518-Y558 PolarHBondContact NE2-OH 3.29Å
519	G	45.8	Very low	50.5	Low	56 Å²	56	97.4 Å²	97.4	58%	0.577	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	36	171.2	0	0	0	0	0	114.5	L517 K521	L517-G519 VanDerWaalsContact C-N 3.29Å; L517-G519 PolarHBondContact O-N 2.94Å; G519-K521 VanDerWaalsContact C-N 3.34Å; G519-K521 PolarHBondContact O-N 3.47Å
520	S	41.2	Very low	47.9	Very low	89 Å²	89	102 Å²	102	62%	0.622	53%	0.527	S	S	*	.			trans	-67.2	95.7	171.1	-160.1	0	0	0	0	109.3	H518 N522	H518-S520 VanDerWaalsContact C-N 3.33Å; H518-S520 PolarHBondContact O-N 3.43Å; S520-N522 PolarHBondContact O-N 3.33Å
521	K	35.9	Very low	45.6	Very low	191 Å²	191	110.4 Å²	110.4	83%	0.83	57%	0.566	S	S	*	*			trans	-63.6	28.8	171.5	-76.3	-174	168.1	-170.9	0	114.1	G519 N523	G519-K521 VanDerWaalsContact C-N 3.34Å; G519-K521 PolarHBondContact O-N 3.47Å; K521-N523 PolarHBondContact O-N 3.03Å
522	N	32.7	Very low	43.6	Very low	132 Å²	132	113.7 Å²	113.7	71%	0.706	58%	0.584	S	S	*	*	S	Bend	trans	-96.5	90.8	-178.6	-75.2	-15.4	0	0	0	110	S520	S520-N522 PolarHBondContact O-N 3.33Å
523	N	34.1	Very low	42.6	Very low	153 Å²	153	110.3 Å²	110.3	82%	0.818	58%	0.578	S	S	*	*	S	Bend	trans	67	50.6	155.6	-71.8	-6.9	0	0	0	119.7	K521	K521-N523 PolarHBondContact O-N 3.03Å
524	H	31.9	Very low	42.9	Very low	187 Å²	187	113.4 Å²	113.4	87%	0.866	60%	0.596	S	S	*	*			trans	-125.7	131.9	151.8	-75.7	-46.4	0	0	0	110.7
525	N	30	Very low	44.2	Very low	138 Å²	138	111.3 Å²	111.3	74%	0.738	59%	0.587	S	S	*	*			trans	-51.8	135	-171	-64	-36	0	0	0	111.8	D527	N525-D527 PolarHBondContact O-N 3.45Å; N525-D527 VanDerWaalsContact O-N 3.08Å
526	E	36	Very low	45.9	Very low	179 Å²	179	108.1 Å²	108.1	84%	0.836	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	3.5	175.5	-70.8	-179.8	154.8	0	0	113.6
527	D	33.7	Very low	47.5	Very low	154 Å²	154	101.1 Å²	101.1	82%	0.824	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	10.9	-179.1	-70	-35.3	0	0	0	114.3	N525 D529	N525-D527 PolarHBondContact O-N 3.45Å; N525-D527 VanDerWaalsContact O-N 3.08Å; D527-D529 VanDerWaalsContact C-N 3.34Å; D527-D529 PolarHBondContact O-N 3.08Å
528	D	35.9	Very low	49.3	Very low	93 Å²	93	100.4 Å²	100.4	50%	0.497	53%	0.533	S	S	.	.			trans	-95.7	50	178.8	-115.9	-19.9	0	0	0	111.5	N530 K1012	D528-N530 PolarHBondContact O-N 2.87Å; D528-K1012 IonicContact OD1-NZ 2.88Å; D528-K1012 PolarHBondContact OD1-NZ 3.44Å; D528-K1012 VanDerWaalsContact OD1-NZ 3.1Å; D528-K1012 IonicContact OD2-NZ 2.91Å; D528-K1012 PolarHBondContact OD2-NZ 3.38Å
529	D	36.2	Very low	51.3	Low	158 Å²	158	95 Å²	95	85%	0.845	51%	0.508	S	S	*	.			trans	-69.7	30.2	170.8	-87.1	-21.5	0	0	0	113	D527 E531	D527-D529 VanDerWaalsContact C-N 3.34Å; D527-D529 PolarHBondContact O-N 3.08Å; D529-E531 PolarHBondContact O-N 2.96Å
530	N	34.4	Very low	53.8	Low	102 Å²	102	92.3 Å²	92.3	55%	0.545	48%	0.48	S	S	.	.			trans	-75.1	121.5	166.2	-73.2	-47.5	0	0	0	108	D528 D532	D528-N530 PolarHBondContact O-N 2.87Å; N530-D532 PolarHBondContact O-N 2.95Å
531	E	40.2	Very low	56.4	Low	178 Å²	178	88 Å²	88	83%	0.832	45%	0.451	S	S	*	.	S	Bend	trans	-52.2	-14.3	171.6	-70.6	-177.6	148	0	0	113	D529 G533 K639	D529-E531 PolarHBondContact O-N 2.96Å; E531-G533 PolarHBondContact O-N 3.41Å; E531-K639 PolarHBondContact O-NZ 2.85Å
532	D	41	Very low	59.3	Low	72 Å²	72	79 Å²	79	39%	0.385	41%	0.411	S	S	.	.			trans	-87.7	43.2	179.9	-62.3	-32.9	0	0	0	115.1	N530 K1012	N530-D532 PolarHBondContact O-N 2.95Å; D532-K1012 WeakPolarHBondContact O-CG 3.28Å
533	G	48.8	Very low	62.3	Low	26 Å²	26	72.7 Å²	72.7	27%	0.268	38%	0.377	S	S	.	.			trans	-60.3	157.2	164	0	0	0	0	0	114	E531 G535 K639	E531-G533 PolarHBondContact O-N 3.41Å; G533-G535 PolarHBondContact O-N 2.87Å; G533-K639 VanDerWaalsContact CA-NZ 3.29Å; G533-K639 WeakPolarHBondContact O-CE 3.45Å; G533-K639 PolarHBondContact O-NZ 3.29Å
534	D	71	Confident	65.3	Low	77 Å²	77	65.4 Å²	65.4	41%	0.412	34%	0.338	S	S	.	.			trans	-54.7	120	-172	-62.4	-23.9	0	0	0	113.5	Y513 A1010	Y513-D534 PolarHBondContact OH-O 2.9Å; D534-A1010 WeakPolarHBondContact CA-O 3.3Å
535	G	84.1	Confident	68.4	Low	3 Å²	3	56.5 Å²	56.5	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-172.1	178.1	0	0	0	0	0	113	Y513 G533 Y637 A1010	Y513-G535 WeakPolarHBondContact OH-CA 3.41Å; G533-G535 PolarHBondContact O-N 2.87Å; G535-Y637 WeakPolarHBondContact CA-OH 3.48Å; G535-A1010 PolarHBondContact N-O 3.12Å; G535-A1010 PolarHBondContact O-N 2.7Å
536	I	89.1	Confident	71.5	Confident	3 Å²	3	50 Å²	50	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.4	172.7	-58.6	176	0	0	0	109.2	T509 T510 Y513 Y637 F638 F1007 I1008	T509-I536 HydrophobicContact CG2-CD1 4.31Å; T509-I536 HydrophobicContact CG2-CG2 4.33Å; T509-I536 WeakPolarHBondContact O-CD1 3.37Å; T510-I536 HydrophobicContact CG2-CD1 4.31Å; Y513-I536 HydrophobicContact CD2-CD1 4.34Å; Y513-I536 HydrophobicContact CE2-CD1 3.67Å; Y513-I536 HydrophobicContact CE2-CG1 4.09Å; I536-Y637 CarbonylContact O-C 3.59Å; I536-Y637 WeakPolarHBondContact O-CA 3.39Å; I536-F638 HydrophobicContact CB-CD1 4.19Å; I536-F638 HydrophobicContact CD1-CD1 4.05Å; I536-F638 HydrophobicContact CD1-CE1 4.26Å; I536-F638 HydrophobicContact CG1-CD1 4.45Å; I536-F638 PolarHBondContact N-O 3.43Å; I536-F638 PolarHBondContact O-N 3.42Å; I536-F1007 HydrophobicContact CG2-CB 4.04Å; I536-F1007 HydrophobicContact CG2-CD1 3.89Å; I536-F1007 HydrophobicContact CG2-CG 4.45Å; I536-I1008 CarbonylContact C-O 3.57Å; I536-I1008 WeakPolarHBondContact CA-O 3.41Å
537	F	89.2	Confident	74.2	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.9	164	-62.6	-66.5	0	0	0	109.8	L539 L583 I635 F636 Y637 F1007 I1008 A1010 L1015 L1018	F537-L539 HydrophobicContact CB-CD1 4.08Å; F537-L583 HydrophobicContact CD1-CD1 4.17Å; F537-L583 HydrophobicContact CE1-CD1 4.06Å; F537-I635 HydrophobicContact CB-CG2 4.21Å; F537-I635 HydrophobicContact CD1-CG2 3.99Å; F537-I635 HydrophobicContact CG-CG2 4.43Å; F537-F636 CarbonylContact C-O 3.53Å; F537-F636 VanDerWaalsContact CA-O 3.3Å; F537-F636 WeakPolarHBondContact CA-O 3.39Å; F537-Y637 AromaticContact CD1-CD2 4Å; F537-Y637 HydrophobicContact CD1-CD2 4Å; F537-Y637 AromaticContact CE1-CD2 3.85Å; F537-Y637 HydrophobicContact CE1-CD2 3.85Å; F537-Y637 HydrophobicContact CZ-CD2 4.5Å; F537-F1007 WeakPolarHBondContact O-CA 3.41Å; F537-I1008 HydrophobicContact CB-CB 4.23Å; F537-I1008 PolarHBondContact N-O 2.63Å; F537-I1008 PolarHBondContact O-N 2.88Å; F537-A1010 HydrophobicContact CD2-CB 3.76Å; F537-A1010 HydrophobicContact CE2-CB 3.42Å; F537-A1010 VanDerWaalsContact CE2-CB 3.42Å; F537-A1010 HydrophobicContact CZ-CB 3.9Å; F537-L1015 HydrophobicContact CE1-CD2 3.86Å; F537-L1015 HydrophobicContact CZ-CD2 4.22Å; F537-L1018 HydrophobicContact CD1-CD2 4.44Å; F537-L1018 HydrophobicContact CE1-CD2 3.56Å; F537-L1018 HydrophobicContact CZ-CD2 3.74Å
538	I	93.5	Very high	77.1	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.7	175.7	-51.4	171.7	0	0	0	107.2	L540 F555 F636 F638 M1006 F1007	I538-L540 HydrophobicContact CG2-CD2 3.62Å; I538-L540 HydrophobicContact CG2-CG 4.09Å; I538-F555 HydrophobicContact CD1-CD1 4.44Å; I538-F555 HydrophobicContact CD1-CE1 3.54Å; I538-F555 HydrophobicContact CD1-CZ 3.79Å; I538-F636 HydrophobicContact CB-CB 4.24Å; I538-F636 PolarHBondContact N-O 3.05Å; I538-F636 PolarHBondContact O-N 3.5Å; I538-F638 HydrophobicContact CD1-CB 3.63Å; I538-F638 HydrophobicContact CD1-CG 4.45Å; I538-F638 HydrophobicContact CG1-CB 4.18Å; I538-M1006 WeakPolarHBondContact CA-O 3.38Å; I538-F1007 HydrophobicContact CD1-CE1 4.47Å; I538-F1007 HydrophobicContact CG1-CD1 4.02Å; I538-F1007 HydrophobicContact CG1-CE1 4Å; I538-F1007 HydrophobicContact CG2-CD1 4.41Å; I538-F1007 HydrophobicContact CG2-CE1 4.05Å
539	L	93.6	Very high	79.7	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.8	175	-74.8	68.2	0	0	0	107.7	Y479 F537 F633 I635 P1005 M1006 I1008	Y479-L539 HydrophobicContact CD1-CD2 3.98Å; Y479-L539 HydrophobicContact CE1-CD2 3.78Å; F537-L539 HydrophobicContact CB-CD1 4.08Å; L539-F633 HydrophobicContact CD2-CD2 4.48Å; L539-I635 HydrophobicContact CD1-CG2 4.38Å; L539-I635 HydrophobicContact CG-CG1 4.3Å; L539-P1005 CarbonylContact O-C 3.57Å; L539-P1005 WeakPolarHBondContact O-CA 3.41Å; L539-M1006 HydrophobicContact CB-CB 4.3Å; L539-M1006 HydrophobicContact CB-CE 3.76Å; L539-M1006 HydrophobicContact CD2-CE 4.35Å; L539-M1006 PolarHBondContact N-O 3.11Å; L539-M1006 PolarHBondContact O-N 3.1Å; L539-I1008 HydrophobicContact CD1-CD1 3.51Å; L539-I1008 HydrophobicContact CD1-CG1 3.85Å; L539-I1008 HydrophobicContact CD2-CD1 3.98Å; L539-I1008 HydrophobicContact CG-CD1 4.42Å
540	L	96.6	Very high	82.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	105.5	179.6	-63.2	-173.3	0	0	0	109.3	I538 I553 F623 P625 L628 F633 N634 F636 I1003 P1005	I538-L540 HydrophobicContact CG2-CD2 3.62Å; I538-L540 HydrophobicContact CG2-CG 4.09Å; L540-I553 HydrophobicContact CD1-CD1 4.19Å; L540-I553 HydrophobicContact CD1-CG1 3.74Å; L540-I553 HydrophobicContact CD2-CD1 4.11Å; L540-I553 HydrophobicContact CD2-CG1 4.19Å; L540-I553 HydrophobicContact CD2-CG2 4.19Å; L540-F623 HydrophobicContact CD1-CZ 4.19Å; L540-P625 HydrophobicContact CD1-CB 3.72Å; L540-P625 HydrophobicContact CD1-CG 3.78Å; L540-L628 HydrophobicContact CB-CD2 4.03Å; L540-L628 HydrophobicContact CD1-CD2 4.1Å; L540-F633 VanDerWaalsContact O-CA 3.22Å; L540-F633 WeakPolarHBondContact O-CA 3.46Å; L540-N634 PolarHBondContact N-O 3.3Å; L540-N634 PolarHBondContact O-N 2.89Å; L540-F636 HydrophobicContact CB-CE2 4.32Å; L540-F636 HydrophobicContact CD1-CD2 3.79Å; L540-F636 HydrophobicContact CD1-CE2 3.55Å; L540-F636 HydrophobicContact CD1-CZ 4.32Å; L540-F636 HydrophobicContact CG-CD2 3.98Å; L540-F636 HydrophobicContact CG-CE2 4.01Å; L540-I1003 HydrophobicContact CB-CG2 3.81Å; L540-I1003 HydrophobicContact CD2-CG2 4.11Å; L540-I1003 HydrophobicContact CG-CG2 4.42Å; L540-P1005 HydrophobicContact CD2-CB 3.81Å
541	Y	96.4	Very high	85	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.2	179	-170.8	-93	0	0	0	111.9	M408 Q411 I412 Y479 P543 G632 F633 I1004	M408-Y541 HydrophobicContact CB-CD1 3.82Å; M408-Y541 HydrophobicContact CB-CE1 3.76Å; M408-Y541 HydrophobicContact CG-CD1 3.36Å; M408-Y541 HydrophobicContact CG-CD2 4.37Å; M408-Y541 HydrophobicContact CG-CE1 3.52Å; M408-Y541 HydrophobicContact CG-CG 3.82Å; M408-Y541 HydrophobicContact SD-CD1 3.56Å; M408-Y541 VanDerWaalsContact SD-CD1 3.56Å; M408-Y541 HydrophobicContact SD-CD2 4.48Å; M408-Y541 HydrophobicContact SD-CE1 4.35Å; M408-Y541 HydrophobicContact SD-CG 3.63Å; Q411-Y541 WeakPolarHBondContact CB-OH 3.46Å; Q411-Y541 PolarHBondContact OE1-OH 3.33Å; I412-Y541 HydrophobicContact CD1-CD2 3.89Å; I412-Y541 HydrophobicContact CD1-CE2 3.73Å; I412-Y541 HydrophobicContact CD1-CG 4.44Å; I412-Y541 HydrophobicContact CG1-CD2 4.24Å; I412-Y541 HydrophobicContact CG1-CE2 3.57Å; Y479-Y541 VanDerWaalsContact OH-CD2 3.25Å; Y479-Y541 WeakPolarHBondContact OH-CD2 3.31Å; Y541-P543 HydrophobicContact CD1-CB 4.28Å; Y541-P543 HydrophobicContact CE1-CB 3.86Å; Y541-G632 CarbonylContact C-O 3.54Å; Y541-G632 WeakPolarHBondContact CA-O 3.24Å; Y541-G632 VanDerWaalsContact CD2-O 3.26Å; Y541-G632 WeakPolarHBondContact CD2-O 3.27Å; Y541-F633 HydrophobicContact CD2-CB 4.14Å; Y541-I1004 PolarHBondContact N-O 3.3Å; Y541-I1004 VanDerWaalsContact N-O 3.14Å; Y541-I1004 PolarHBondContact O-N 3.15Å
542	N	97	Very high	87.6	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109	174.7	173.9	15.2	0	0	0	109.5	L544 W546 L628 L629 V631 G632 I1003	N542-L544 VanDerWaalsContact C-N 3.28Å; N542-L544 PolarHBondContact O-N 3.4Å; N542-L544 WeakPolarHBondContact OD1-CB 3.43Å; N542-L544 PolarHBondContact OD1-N 2.91Å; N542-W546 PolarHBondContact ND2-O 3.43Å; N542-L628 HydrophobicContact CB-CB 4.41Å; N542-L628 PolarHBondContact ND2-O 3.45Å; N542-L629 VanDerWaalsContact CB-O 3.23Å; N542-L629 WeakPolarHBondContact CB-O 3.25Å; N542-L629 PolarHBondContact ND2-O 3.15Å; N542-V631 WeakPolarHBondContact O-CA 3.17Å; N542-V631 PolarHBondContact O-N 2.79Å; N542-G632 PolarHBondContact N-O 3.19Å; N542-G632 PolarHBondContact O-N 3.36Å; N542-G632 VanDerWaalsContact O-N 3.12Å; N542-I1003 HydrophobicContact CB-CD1 3.58Å
543	P	96	Very high	90.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.			trans	-80.1	-6.4	-179.4	33.3	-36.7	0	0	0	113.8	Q411 Y541 R1001	Q411-P543 PolarHBondContact NE2-O 3.26Å; Y541-P543 HydrophobicContact CD1-CB 4.28Å; Y541-P543 HydrophobicContact CE1-CB 3.86Å; P543-R1001 HydrophobicContact CG-CB 3.97Å
544	L	96.7	Very high	92.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-82.5	153.5	-177.5	-63.2	167.3	0	0	0	111.3	N542 W546 Q548 P630 V631 Q997 E998 R1001	N542-L544 VanDerWaalsContact C-N 3.28Å; N542-L544 PolarHBondContact O-N 3.4Å; N542-L544 WeakPolarHBondContact OD1-CB 3.43Å; N542-L544 PolarHBondContact OD1-N 2.91Å; L544-W546 HydrophobicContact CB-CE3 4.47Å; L544-W546 HydrophobicContact CD1-CE3 4.31Å; L544-W546 HydrophobicContact CD1-CZ3 4.5Å; L544-W546 HydrophobicContact CD2-CZ3 4.44Å; L544-W546 PolarHBondContact O-N 3.37Å; L544-Q548 HydrophobicContact CD1-CG 4.34Å; L544-Q548 VanDerWaalsContact CD1-NE2 3.31Å; L544-P630 CarbonylContact O-C 3.6Å; L544-P630 VanDerWaalsContact O-CA 3.27Å; L544-P630 WeakPolarHBondContact O-CA 3.04Å; L544-P630 WeakPolarHBondContact O-CB 3.43Å; L544-V631 PolarHBondContact O-N 2.77Å; L544-Q997 HydrophobicContact CD2-CB 4.21Å; L544-E998 HydrophobicContact CD1-CG 4.42Å; L544-R1001 HydrophobicContact CD2-CB 4.19Å; L544-R1001 HydrophobicContact CD2-CG 4.44Å; L544-R1001 HydrophobicContact CG-CB 4.38Å
545	G	96.3	Very high	93.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-74.7	5.8	173.8	0	0	0	0	0	115	P630 L1029	G545-P630 VanDerWaalsContact C-CB 3.49Å; G545-L1029 WeakPolarHBondContact O-CB 3.46Å; G545-L1029 PolarHBondContact O-N 2.73Å
546	W	94.9	Very high	94.1	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	8%	0.084	C	C	.	.	S	Bend	trans	-119.1	152.4	-179.6	-44.9	-47.7	0	0	0	111.5	N542 L544 K994 Q997 P1030 N1031 I1033 N1034 L1062	N542-W546 PolarHBondContact ND2-O 3.43Å; L544-W546 HydrophobicContact CB-CE3 4.47Å; L544-W546 HydrophobicContact CD1-CE3 4.31Å; L544-W546 HydrophobicContact CD1-CZ3 4.5Å; L544-W546 HydrophobicContact CD2-CZ3 4.44Å; L544-W546 PolarHBondContact O-N 3.37Å; W546-K994 HydrophobicContact CE3-CG 4.07Å; W546-K994 HydrophobicContact CH2-CG 4.23Å; W546-K994 HydrophobicContact CZ3-CB 4.46Å; W546-K994 HydrophobicContact CZ3-CG 3.7Å; W546-Q997 HydrophobicContact CH2-CB 4.14Å; W546-Q997 HydrophobicContact CH2-CG 4.08Å; W546-Q997 HydrophobicContact CZ3-CB 4.01Å; W546-Q997 HydrophobicContact CZ3-CG 4.46Å; W546-P1030 PolarHBondContact NE1-O 2.88Å; W546-N1031 WeakPolarHBondContact CZ2-O 3.44Å; W546-I1033 VanDerWaalsContact CE2-O 3.26Å; W546-I1033 WeakPolarHBondContact CZ2-O 3.28Å; W546-I1033 PolarHBondContact NE1-O 3.14Å; W546-N1034 HydrophobicContact CH2-CB 4.32Å; W546-N1034 HydrophobicContact CZ2-CB 4.09Å; W546-L1062 HydrophobicContact CH2-CD1 3.55Å; W546-L1062 HydrophobicContact CZ2-CD1 3.66Å
547	E	94.5	Very high	94.3	Very high	77 Å²	77	16.7 Å²	16.7	36%	0.36	8%	0.083	S	C	.	.			trans	-68	139.2	165.4	-172.2	-177.8	165.6	0	0	110.7	N627 L628	E547-N627 HydrophobicContact CG-CB 4.47Å; E547-N627 WeakPolarHBondContact OE1-CA 3.18Å; E547-N627 WeakPolarHBondContact OE1-CB 3.01Å; E547-N627 PolarHBondContact OE1-OD1 2.71Å; E547-L628 VanDerWaalsContact CA-O 3.25Å; E547-L628 WeakPolarHBondContact CA-O 3.06Å; E547-L628 WeakPolarHBondContact CG-O 3.44Å
548	Q	93.4	Very high	94.2	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.028	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-117	117.8	178.4	-64.2	-148.2	-54.6	0	0	113	L544 V551 N627 L628 E998	L544-Q548 HydrophobicContact CD1-CG 4.34Å; L544-Q548 VanDerWaalsContact CD1-NE2 3.31Å; Q548-V551 HydrophobicContact CB-CG2 3.69Å; Q548-V551 HydrophobicContact CG-CG2 4.45Å; Q548-V551 VanDerWaalsContact OE1-CG2 3.32Å; Q548-N627 PolarHBondContact O-N 2.77Å; Q548-N627 VanDerWaalsContact O-N 3.17Å; Q548-L628 HydrophobicContact CB-CB 4.38Å; Q548-L628 PolarHBondContact N-O 3.34Å; Q548-L628 PolarHBondContact O-N 2.92Å; Q548-E998 PolarHBondContact NE2-OE1 2.85Å
549	S	90.3	Very high	93.7	Very high	44 Å²	44	18.5 Å²	18.5	31%	0.308	9%	0.091	S	C	.	.			trans	-110.2	-15.8	-179.7	-47	0	0	0	0	114.5	N624 N627	S549-N624 PolarHBondContact O-ND2 2.93Å; S549-N624 PolarHBondContact O-OD1 3.25Å; S549-N627 WeakPolarHBondContact CB-OD1 3.36Å; S549-N627 PolarHBondContact OG-OD1 3.4Å
550	N	88.8	Confident	92.9	Very high	94 Å²	94	19.8 Å²	19.8	50%	0.503	10%	0.099	S	C	.	.	S	Bend	trans	-109.2	54.8	-179.1	-67.7	-28.8	0	0	0	110.9
551	V	93.2	Very high	91.6	Very high	20 Å²	20	22 Å²	22	12%	0.121	11%	0.111	C	C	.	.			trans	-115.5	139.6	177.9	-178.3	0	0	0	0	109.6	Q548 I553 N624 P625 L628 I1003	Q548-V551 HydrophobicContact CB-CG2 3.69Å; Q548-V551 HydrophobicContact CG-CG2 4.45Å; Q548-V551 VanDerWaalsContact OE1-CG2 3.32Å; V551-I553 HydrophobicContact CG1-CD1 3.78Å; V551-I553 HydrophobicContact CG1-CG1 4.44Å; V551-N624 WeakPolarHBondContact O-CA 3.16Å; V551-N624 PolarHBondContact O-ND2 3.01Å; V551-N624 PolarHBondContact O-OD1 3.1Å; V551-P625 WeakPolarHBondContact O-CD 3.18Å; V551-L628 HydrophobicContact CB-CD1 4.46Å; V551-L628 HydrophobicContact CG2-CD1 4.5Å; V551-I1003 HydrophobicContact CB-CG1 4.41Å; V551-I1003 HydrophobicContact CG1-CB 4.26Å; V551-I1003 HydrophobicContact CG1-CG1 3.67Å; V551-I1003 HydrophobicContact CG2-CG1 4.13Å
552	W	95.5	Very high	89.7	Confident	39 Å²	39	26.4 Å²	26.4	15%	0.148	13%	0.134	C	C	.	.			trans	-114.7	118.5	176.4	-66	99.4	0	0	0	109.5	L622 N624 L802 Y821 E825	W552-L622 HydrophobicContact CB-CD1 3.91Å; W552-L622 HydrophobicContact CD2-CD1 4.44Å; W552-L622 HydrophobicContact CE3-CD1 3.86Å; W552-L622 HydrophobicContact CE3-CD2 4.37Å; W552-L622 HydrophobicContact CE3-CG 4.1Å; W552-L622 HydrophobicContact CG-CD1 4.5Å; W552-N624 HydrophobicContact CD2-CB 4.28Å; W552-N624 HydrophobicContact CE3-CB 3.8Å; W552-N624 HydrophobicContact CH2-CB 4.07Å; W552-N624 HydrophobicContact CZ2-CB 4.49Å; W552-N624 HydrophobicContact CZ3-CB 3.69Å; W552-L802 HydrophobicContact CH2-CB 4.23Å; W552-L802 HydrophobicContact CZ3-CB 4.01Å; W552-L802 HydrophobicContact CZ3-CD1 4.22Å; W552-Y821 HydrophobicContact CB-CE1 3.94Å; W552-Y821 AromaticContact CD1-CD1 3.81Å; W552-Y821 AromaticContact CD1-CE1 3.83Å; W552-Y821 AromaticContact CD1-CG 3.98Å; W552-Y821 AromaticContact CD1-CZ 4Å; W552-Y821 AromaticContact CD2-CD1 3.4Å; W552-Y821 HydrophobicContact CD2-CD1 3.4Å; W552-Y821 VanDerWaalsContact CD2-CD1 3.4Å; W552-Y821 AromaticContact CD2-CE1 3.57Å; W552-Y821 HydrophobicContact CD2-CE1 3.57Å; W552-Y821 HydrophobicContact CD2-CG 4.19Å; W552-Y821 AromaticContact CE2-CD1 3.32Å; W552-Y821 AromaticContact CE2-CE1 3.98Å; W552-Y821 AromaticContact CE2-CG 3.69Å; W552-Y821 AromaticContact CE3-CD1 3.92Å; W552-Y821 HydrophobicContact CE3-CD1 3.92Å; W552-Y821 HydrophobicContact CE3-CE1 4.06Å; W552-Y821 AromaticContact CG-CD1 3.72Å; W552-Y821 HydrophobicContact CG-CD1 3.72Å; W552-Y821 AromaticContact CG-CE1 3.49Å; W552-Y821 HydrophobicContact CG-CE1 3.49Å; W552-Y821 VanDerWaalsContact CG-CE1 3.49Å; W552-Y821 HydrophobicContact CG-CG 4.35Å; W552-Y821 AromaticContact CG-CZ 3.92Å; W552-Y821 HydrophobicContact CH2-CD1 4.22Å; W552-Y821 AromaticContact CZ2-CD1 3.78Å; W552-Y821 HydrophobicContact CZ2-CD1 3.78Å; W552-Y821 HydrophobicContact CZ2-CG 4.1Å; W552-Y821 HydrophobicContact CZ3-CD1 4.29Å; W552-Y821 AromaticContact NE1-CD1 3.58Å; W552-Y821 AromaticContact NE1-CG 3.56Å; W552-E825 PolarHBondContact NE1-OE2 2.91Å
553	I	96.4	Very high	87.5	Confident	9 Å²	9	34 Å²	34	5%	0.046	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132	179.1	-56.5	-60.7	0	0	0	108.6	L540 V551 F555 L622 F623 P625 I1003	L540-I553 HydrophobicContact CD1-CD1 4.19Å; L540-I553 HydrophobicContact CD1-CG1 3.74Å; L540-I553 HydrophobicContact CD2-CD1 4.11Å; L540-I553 HydrophobicContact CD2-CG1 4.19Å; L540-I553 HydrophobicContact CD2-CG2 4.19Å; V551-I553 HydrophobicContact CG1-CD1 3.78Å; V551-I553 HydrophobicContact CG1-CG1 4.44Å; I553-F555 HydrophobicContact CG2-CD1 4.36Å; I553-L622 WeakPolarHBondContact O-CA 3.31Å; I553-F623 HydrophobicContact CB-CD1 4.09Å; I553-F623 HydrophobicContact CB-CE1 3.59Å; I553-F623 HydrophobicContact CB-CZ 3.95Å; I553-F623 HydrophobicContact CG1-CE1 4.42Å; I553-F623 HydrophobicContact CG1-CZ 4.29Å; I553-F623 HydrophobicContact CG2-CD1 4.42Å; I553-F623 HydrophobicContact CG2-CE1 3.59Å; I553-F623 HydrophobicContact CG2-CZ 4.05Å; I553-F623 PolarHBondContact N-O 3.48Å; I553-F623 PolarHBondContact O-N 2.91Å; I553-F623 VanDerWaalsContact O-N 3.12Å; I553-P625 HydrophobicContact CG1-CG 3.99Å; I553-I1003 HydrophobicContact CD1-CB 3.91Å; I553-I1003 HydrophobicContact CD1-CG2 3.8Å
554	R	95.3	Very high	85.3	Confident	55 Å²	55	41.6 Å²	41.6	21%	0.208	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.6	176.5	-70.1	172.8	-72.2	-167.8	-12	110.1	L621 L622 E827 E829	R554-L621 VanDerWaalsContact CA-O 3.3Å; R554-L621 WeakPolarHBondContact CA-O 3.09Å; R554-L622 HydrophobicContact CG-CB 4.2Å; R554-L622 HydrophobicContact CG-CD1 3.46Å; R554-L622 VanDerWaalsContact CG-CD1 3.46Å; R554-L622 HydrophobicContact CG-CG 4.42Å; R554-E827 IonicContact CZ-OE1 3.26Å; R554-E827 IonicContact CZ-OE2 2.74Å; R554-E827 IonicContact NH1-OE1 3.52Å; R554-E827 PolarHBondContact NH1-OE1 2.88Å; R554-E827 IonicContact NH1-OE2 3.4Å; R554-E827 IonicContact NH2-OE1 2.87Å; R554-E827 PolarHBondContact NH2-OE1 3.04Å; R554-E827 IonicContact NH2-OE2 3.34Å; R554-E827 PolarHBondContact NH2-OE2 2.87Å; R554-E829 IonicContact NH1-OE2 3.21Å
555	F	95.6	Very high	83	Confident	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150.6	169.8	60.9	-97.2	0	0	0	110.7	L502 T510 I538 I553 I557 E620 L621 F623 F638 F1007	L502-F555 HydrophobicContact CD2-CB 4.07Å; T510-F555 HydrophobicContact CG2-CD2 3.6Å; T510-F555 HydrophobicContact CG2-CE2 4.03Å; T510-F555 HydrophobicContact CG2-CG 4.25Å; I538-F555 HydrophobicContact CD1-CD1 4.44Å; I538-F555 HydrophobicContact CD1-CE1 3.54Å; I538-F555 HydrophobicContact CD1-CZ 3.79Å; I553-F555 HydrophobicContact CG2-CD1 4.36Å; F555-I557 HydrophobicContact CD2-CG2 3.81Å; F555-I557 HydrophobicContact CE2-CG2 3.6Å; F555-E620 WeakPolarHBondContact O-CA 3.49Å; F555-L621 HydrophobicContact CD1-CD2 4.43Å; F555-L621 HydrophobicContact CE1-CD2 3.59Å; F555-L621 HydrophobicContact CE2-CB 4.14Å; F555-L621 HydrophobicContact CE2-CD1 4.38Å; F555-L621 HydrophobicContact CE2-CD2 4.32Å; F555-L621 HydrophobicContact CZ-CB 4.2Å; F555-L621 HydrophobicContact CZ-CD1 4.07Å; F555-L621 HydrophobicContact CZ-CD2 3.53Å; F555-L621 HydrophobicContact CZ-CG 4.15Å; F555-L621 PolarHBondContact N-O 3.18Å; F555-L621 PolarHBondContact O-N 2.81Å; F555-F623 HydrophobicContact CD1-CE1 4.42Å; F555-F623 HydrophobicContact CE1-CD1 4.38Å; F555-F623 AromaticContact CE1-CE1 3.85Å; F555-F623 HydrophobicContact CE1-CE1 3.85Å; F555-F638 AromaticContact CE2-CD1 3.99Å; F555-F638 HydrophobicContact CE2-CD1 3.99Å; F555-F638 HydrophobicContact CE2-CD2 4.43Å; F555-F638 AromaticContact CE2-CE1 3.86Å; F555-F638 HydrophobicContact CE2-CE1 3.86Å; F555-F638 HydrophobicContact CE2-CE2 4.31Å; F555-F638 HydrophobicContact CE2-CG 4.28Å; F555-F638 HydrophobicContact CE2-CZ 4.03Å; F555-F638 HydrophobicContact CZ-CB 4.48Å; F555-F638 HydrophobicContact CZ-CD1 4.09Å; F555-F638 HydrophobicContact CZ-CD2 4.03Å; F555-F638 HydrophobicContact CZ-CE1 4.34Å; F555-F638 HydrophobicContact CZ-CE2 4.28Å; F555-F638 AromaticContact CZ-CG 3.93Å; F555-F638 HydrophobicContact CZ-CG 3.93Å; F555-F638 HydrophobicContact CZ-CZ 4.44Å; F555-F1007 HydrophobicContact CB-CE1 4.45Å; F555-F1007 HydrophobicContact CB-CZ 3.94Å; F555-F1007 HydrophobicContact CD1-CE1 4.25Å; F555-F1007 HydrophobicContact CD1-CZ 4.39Å; F555-F1007 HydrophobicContact CG-CE1 4.19Å; F555-F1007 HydrophobicContact CG-CZ 4.18Å
556	P	94.9	Very high	80.8	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.5	-174.3	33.7	-38.3	0	0	0	112	L502 S505 C507 T510 I600 A617 Y619	L502-P556 VanDerWaalsContact CD2-CD 3.49Å; L502-P556 HydrophobicContact CD2-CG 4.41Å; S505-P556 VanDerWaalsContact C-CG 3.44Å; S505-P556 WeakPolarHBondContact O-CB 3.25Å; S505-P556 VanDerWaalsContact O-CG 3.29Å; S505-P556 WeakPolarHBondContact O-CG 3.5Å; C507-P556 HydrophobicContact CB-CG 3.63Å; T510-P556 VanDerWaalsContact CB-O 3.28Å; T510-P556 WeakPolarHBondContact CB-O 3.26Å; T510-P556 PolarHBondContact OG1-O 3.35Å; P556-I600 HydrophobicContact CB-CD1 4.41Å; P556-A617 HydrophobicContact CB-CB 3.63Å; P556-Y619 CarbonylContact C-O 3.55Å; P556-Y619 WeakPolarHBondContact CA-O 3Å
557	I	92	Very high	78.6	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	159.1	173.2	64.2	168.4	0	0	0	110.3	F555 I559 I578 L597 A617 N618 Y619 L621 F638 I640	F555-I557 HydrophobicContact CD2-CG2 3.81Å; F555-I557 HydrophobicContact CE2-CG2 3.6Å; I557-I559 HydrophobicContact CD1-CD1 3.95Å; I557-I559 HydrophobicContact CD1-CG1 4.03Å; I557-I559 HydrophobicContact CG1-CG1 4.43Å; I557-I578 HydrophobicContact CD1-CD1 3.97Å; I557-L597 HydrophobicContact CD1-CD2 3.69Å; I557-L597 HydrophobicContact CG1-CD2 4.5Å; I557-A617 WeakPolarHBondContact O-CA 3.45Å; I557-N618 PolarHBondContact O-N 3.34Å; I557-N618 VanDerWaalsContact O-N 3.1Å; I557-N618 PolarHBondContact O-OD1 3.2Å; I557-Y619 PolarHBondContact N-O 3.3Å; I557-Y619 PolarHBondContact O-N 2.89Å; I557-L621 HydrophobicContact CD1-CB 4.15Å; I557-L621 HydrophobicContact CD1-CD1 4.26Å; I557-L621 HydrophobicContact CG1-CB 4.42Å; I557-L621 HydrophobicContact CG2-CB 4.44Å; I557-F638 HydrophobicContact CG2-CE1 4.14Å; I557-F638 HydrophobicContact CG2-CZ 3.77Å; I557-I640 HydrophobicContact CD1-CD1 4.39Å
558	Y	86.7	Confident	76.4	Confident	34 Å²	34	59.2 Å²	59.2	13%	0.133	30%	0.301	C	S	.	.			trans	-102.4	129	170.7	176.6	-113.3	0	0	0	110.4	Q514 L517 H518 P560 H616 N618	Q514-Y558 HydrophobicContact CB-CD1 4.09Å; Q514-Y558 HydrophobicContact CG-CD1 4.1Å; Q514-Y558 HydrophobicContact CG-CE1 4.27Å; L517-Y558 HydrophobicContact CD1-CD1 4.45Å; L517-Y558 VanDerWaalsContact CD1-O 3.3Å; L517-Y558 WeakPolarHBondContact CD1-O 3.49Å; H518-Y558 AromaticContact NE2-CE1 3.78Å; H518-Y558 AromaticContact NE2-CZ 3.94Å; H518-Y558 PolarHBondContact NE2-OH 3.29Å; Y558-P560 HydrophobicContact CD1-CG 4.47Å; Y558-P560 HydrophobicContact CE1-CB 4.42Å; Y558-P560 HydrophobicContact CE1-CG 3.77Å; Y558-H616 HydrophobicContact CD2-CB 3.91Å; Y558-H616 WeakPolarHBondContact CD2-O 3.49Å; Y558-H616 HydrophobicContact CE2-CB 4.23Å; Y558-H616 HydrophobicContact CG-CB 4.27Å; Y558-N618 WeakPolarHBondContact CA-OD1 3.31Å
559	I	83.5	Confident	74.3	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.036	32%	0.315	C	S	.	.			trans	-124.4	122.5	167.9	-57.4	178.3	0	0	0	107.7	I557 I561 L572 F576 I578 L597 N618 Y619	I557-I559 HydrophobicContact CD1-CD1 3.95Å; I557-I559 HydrophobicContact CD1-CG1 4.03Å; I557-I559 HydrophobicContact CG1-CG1 4.43Å; I559-I561 PolarHBondContact O-N 3.26Å; I559-L572 HydrophobicContact CG2-CD2 3.52Å; I559-F576 HydrophobicContact CG2-CD2 3.73Å; I559-F576 HydrophobicContact CG2-CE2 4.02Å; I559-I578 HydrophobicContact CD1-CD1 4.24Å; I559-L597 HydrophobicContact CD1-CD1 3.39Å; I559-L597 HydrophobicContact CD1-CD2 4.15Å; I559-L597 HydrophobicContact CD1-CG 4.38Å; I559-N618 PolarHBondContact N-OD1 3.48Å; I559-N618 PolarHBondContact O-ND2 3.28Å; I559-Y619 HydrophobicContact CB-CD2 3.94Å; I559-Y619 HydrophobicContact CB-CE2 4.08Å; I559-Y619 HydrophobicContact CD1-CD2 3.98Å; I559-Y619 HydrophobicContact CD1-CE2 4.42Å; I559-Y619 HydrophobicContact CD1-CG 4.4Å; I559-Y619 HydrophobicContact CG1-CD2 4.1Å
560	P	76.9	Confident	72.4	Confident	27 Å²	27	65.3 Å²	65.3	18%	0.175	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-57.8	123.3	175.1	-22.1	29.8	0	0	0	111.5	L517 Y558 F576	L517-P560 HydrophobicContact CB-CG 3.77Å; Y558-P560 HydrophobicContact CD1-CG 4.47Å; Y558-P560 HydrophobicContact CE1-CB 4.42Å; Y558-P560 HydrophobicContact CE1-CG 3.77Å; P560-F576 HydrophobicContact CB-CZ 4.4Å; P560-F576 HydrophobicContact CG-CE2 4.37Å; P560-F576 HydrophobicContact CG-CZ 3.92Å
561	I	68.5	Low	70.4	Confident	48 Å²	48	62.1 Å²	62.1	25%	0.246	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-103.1	125.8	172.8	-59.6	169	0	0	0	107.1	I559 L572 N618 Y619	I559-I561 PolarHBondContact O-N 3.26Å; I561-L572 HydrophobicContact CG1-CD2 4.21Å; I561-N618 VanDerWaalsContact CD1-ND2 3.3Å; I561-N618 WeakPolarHBondContact CD1-ND2 3.34Å; I561-Y619 HydrophobicContact CD1-CE2 3.98Å; I561-Y619 HydrophobicContact CG1-CE2 4.24Å
562	N	57	Low	68.4	Low	91 Å²	91	61.9 Å²	61.9	49%	0.487	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-74	140.5	162.9	-80.4	-7	0	0	0	108	D564 D565 K575	N562-D564 PolarHBondContact O-N 3.32Å; N562-D565 PolarHBondContact O-N 3.31Å; N562-K575 PolarHBondContact ND2-NZ 3.44Å
563	N	51.2	Low	66.2	Low	160 Å²	160	63.6 Å²	63.6	86%	0.856	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-18.6	-176.1	-77.4	-18.5	0	0	0	115.1
564	D	50.2	Low	64.2	Low	159 Å²	159	69.1 Å²	69.1	85%	0.85	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.2	-180	-57.6	-39.2	0	0	0	114.9	N562	N562-D564 PolarHBondContact O-N 3.32Å
565	D	48.8	Very low	62.9	Low	42 Å²	42	70.9 Å²	70.9	23%	0.225	37%	0.369	C	S	.	.			trans	-109.4	11.1	-172	-82.6	-47.1	0	0	0	114.9	N562 D567 N568 S571	N562-D565 PolarHBondContact O-N 3.31Å; D565-D567 PolarHBondContact O-N 2.86Å; D565-N568 PolarHBondContact O-N 3.36Å; D565-N568 VanDerWaalsContact O-N 3.14Å; D565-S571 PolarHBondContact OD1-OG 2.84Å
566	Y	48.5	Very low	62	Low	164 Å²	164	71.7 Å²	71.7	64%	0.643	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.9	-174.5	-151	-91.5	0	0	0	113.9
567	D	49.7	Very low	61.4	Low	162 Å²	162	76.4 Å²	76.4	87%	0.866	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-4.4	-177.1	-68.7	-29.4	0	0	0	114.4	D565	D565-D567 PolarHBondContact O-N 2.86Å
568	N	48	Very low	61.2	Low	81 Å²	81	76.5 Å²	76.5	43%	0.433	40%	0.395	S	S	.	.			trans	-132.6	82.3	-172.9	-159.2	-4.9	0	0	0	113.5	D565 D570 S571	D565-N568 PolarHBondContact O-N 3.36Å; D565-N568 VanDerWaalsContact O-N 3.14Å; N568-D570 PolarHBondContact O-N 3Å; N568-D570 VanDerWaalsContact O-N 3.15Å; N568-D570 PolarHBondContact OD1-N 3.11Å; N568-S571 PolarHBondContact O-N 2.83Å; N568-S571 VanDerWaalsContact O-N 3.08Å; N568-S571 PolarHBondContact O-OG 3.48Å
569	V	49.5	Very low	61.3	Low	52 Å²	52	76.6 Å²	76.6	32%	0.315	40%	0.397	S	S	.	.	H	α-helix	trans	-57.7	-27.9	176.6	-177.8	0	0	0	0	112.4	S571 L572	V569-S571 VanDerWaalsContact C-N 3.33Å; V569-S571 PolarHBondContact O-N 3.02Å; V569-L572 PolarHBondContact O-N 3.19Å
570	D	50	Low	61.7	Low	125 Å²	125	76.2 Å²	76.2	67%	0.668	40%	0.395	S	S	*	.	H	α-helix	trans	-68.9	-28.6	178.8	-70.5	-24.8	0	0	0	112.4	N568 L572 T573	N568-D570 PolarHBondContact O-N 3Å; N568-D570 VanDerWaalsContact O-N 3.15Å; N568-D570 PolarHBondContact OD1-N 3.11Å; D570-L572 VanDerWaalsContact C-N 3.33Å; D570-L572 PolarHBondContact O-N 2.7Å; D570-T573 PolarHBondContact O-OG1 3.04Å
571	S	47.2	Very low	62.3	Low	27 Å²	27	76.7 Å²	76.7	19%	0.189	39%	0.394	C	S	.	.	H	α-helix	trans	-71.2	-26.6	178.5	75.3	0	0	0	0	113	D565 N568 V569 N574	D565-S571 PolarHBondContact OD1-OG 2.84Å; N568-S571 PolarHBondContact O-N 2.83Å; N568-S571 VanDerWaalsContact O-N 3.08Å; N568-S571 PolarHBondContact O-OG 3.48Å; V569-S571 VanDerWaalsContact C-N 3.33Å; V569-S571 PolarHBondContact O-N 3.02Å; S571-N574 PolarHBondContact O-N 2.9Å
572	L	50.1	Low	63.3	Low	15 Å²	15	75.6 Å²	75.6	8%	0.079	39%	0.389	C	S	.	.	H	α-helix	trans	-68.8	-31.7	178.3	-79.5	117	0	0	0	113.2	I559 I561 V569 D570 N574 K575 F576	I559-L572 HydrophobicContact CG2-CD2 3.52Å; I561-L572 HydrophobicContact CG1-CD2 4.21Å; V569-L572 PolarHBondContact O-N 3.19Å; D570-L572 VanDerWaalsContact C-N 3.33Å; D570-L572 PolarHBondContact O-N 2.7Å; L572-N574 PolarHBondContact O-N 2.81Å; L572-N574 VanDerWaalsContact O-N 3.12Å; L572-K575 PolarHBondContact O-N 3.12Å; L572-K575 VanDerWaalsContact O-N 3.12Å; L572-F576 PolarHBondContact O-N 3.03Å
573	T	50	Low	64.7	Low	76 Å²	76	71.9 Å²	71.9	47%	0.466	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.2	-180	64.6	0	0	0	0	113.4	D570	D570-T573 PolarHBondContact O-OG1 3.04Å
574	N	54.5	Low	66.3	Low	125 Å²	125	67.2 Å²	67.2	67%	0.668	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-23	177.4	-70.2	-35.1	0	0	0	113.5	S571 L572 S643	S571-N574 PolarHBondContact O-N 2.9Å; L572-N574 PolarHBondContact O-N 2.81Å; L572-N574 VanDerWaalsContact O-N 3.12Å; N574-S643 PolarHBondContact O-OG 3.34Å
575	K	68.5	Low	67.5	Low	91 Å²	91	63.7 Å²	63.7	40%	0.396	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-30	-176.8	-72.6	-179.4	-178	165.3	0	114.1	N562 L572 S643	N562-K575 PolarHBondContact ND2-NZ 3.44Å; L572-K575 PolarHBondContact O-N 3.12Å; L572-K575 VanDerWaalsContact O-N 3.12Å; K575-S643 VanDerWaalsContact C-OG 3.22Å; K575-S643 WeakPolarHBondContact CA-OG 3.34Å; K575-S643 PolarHBondContact O-N 2.94Å; K575-S643 PolarHBondContact O-OG 3.37Å
576	F	76.7	Confident	68.1	Low	19 Å²	19	67.2 Å²	67.2	8%	0.083	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.3	-175.8	-57.9	-73.4	0	0	0	110.2	L517 I559 P560 L572 I640 I641 H642	L517-F576 HydrophobicContact CD2-CD1 3.53Å; L517-F576 HydrophobicContact CD2-CE1 3.28Å; L517-F576 HydrophobicContact CD2-CZ 4.21Å; L517-F576 HydrophobicContact CG-CE1 4.42Å; I559-F576 HydrophobicContact CG2-CD2 3.73Å; I559-F576 HydrophobicContact CG2-CE2 4.02Å; P560-F576 HydrophobicContact CB-CZ 4.4Å; P560-F576 HydrophobicContact CG-CE2 4.37Å; P560-F576 HydrophobicContact CG-CZ 3.92Å; L572-F576 PolarHBondContact O-N 3.03Å; F576-I640 HydrophobicContact CB-CG2 4.25Å; F576-I640 HydrophobicContact CD1-CG2 4.31Å; F576-I641 CarbonylContact C-O 3.54Å; F576-I641 WeakPolarHBondContact CA-O 3.44Å; F576-H642 AromaticContact CE1-CD2 3.6Å
577	H	81.9	Confident	68.5	Low	100 Å²	100	61.4 Å²	61.4	46%	0.463	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.2	173.1	-173.2	66.1	0	0	0	109.8	I641	H577-I641 HydrophobicContact CB-CB 4.37Å; H577-I641 PolarHBondContact N-O 3.12Å; H577-I641 PolarHBondContact O-N 3.38Å
578	I	88.7	Confident	68.5	Low	2 Å²	2	63.2 Å²	63.2	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128	178.8	-63.5	174	0	0	0	109.5	I557 I559 I580 S592 Y595 L597 L621 F638 K639 I640	I557-I578 HydrophobicContact CD1-CD1 3.97Å; I559-I578 HydrophobicContact CD1-CD1 4.24Å; I578-I580 HydrophobicContact CG2-CG1 4.31Å; I578-S592 PolarHBondContact O-OG 3.04Å; I578-Y595 HydrophobicContact CB-CE1 3.99Å; I578-Y595 HydrophobicContact CB-CE2 3.99Å; I578-Y595 HydrophobicContact CD1-CE2 4Å; I578-Y595 HydrophobicContact CG2-CD1 4.44Å; I578-Y595 HydrophobicContact CG2-CE1 4.2Å; I578-Y595 HydrophobicContact CG2-CE2 4.3Å; I578-Y595 WeakPolarHBondContact O-CE1 3.45Å; I578-L597 HydrophobicContact CD1-CD1 3.94Å; I578-L597 HydrophobicContact CD1-CD2 3.8Å; I578-L597 HydrophobicContact CD1-CG 4.26Å; I578-L621 HydrophobicContact CD1-CD1 4.37Å; I578-L621 HydrophobicContact CG2-CD1 3.63Å; I578-F638 HydrophobicContact CG2-CD2 4.15Å; I578-F638 HydrophobicContact CG2-CE2 3.73Å; I578-K639 WeakPolarHBondContact CA-O 3.13Å; I578-I640 HydrophobicContact CG1-CG1 4.43Å
579	I	88.8	Confident	68.6	Low	35 Å²	35	63.4 Å²	63.4	18%	0.179	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.4	176.7	-58.2	-179.1	0	0	0	108.5	S592 F638 K639 I641	I579-S592 WeakPolarHBondContact CA-OG 3.31Å; I579-F638 VanDerWaalsContact O-CA 3.29Å; I579-F638 WeakPolarHBondContact O-CA 3.43Å; I579-K639 PolarHBondContact N-O 3.21Å; I579-K639 PolarHBondContact O-N 3.43Å; I579-I641 HydrophobicContact CD1-CD1 3.47Å; I579-I641 VanDerWaalsContact CD1-CD1 3.47Å; I579-I641 HydrophobicContact CD1-CG1 4.39Å; I579-I641 HydrophobicContact CG1-CD1 4.34Å
580	I	91.9	Very high	68.9	Low	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	106.2	165.8	-52.6	178.5	0	0	0	107	I578 S592 L593 Y595 L621 F623 Y637 F638	I578-I580 HydrophobicContact CG2-CG1 4.31Å; I580-S592 PolarHBondContact N-OG 3.1Å; I580-S592 CarbonylContact O-C 3.58Å; I580-S592 WeakPolarHBondContact O-CA 3.48Å; I580-L593 HydrophobicContact CB-CB 4.27Å; I580-L593 HydrophobicContact CG2-CB 4.27Å; I580-L593 HydrophobicContact CG2-CD1 4.04Å; I580-L593 HydrophobicContact CG2-CG 4.47Å; I580-L593 PolarHBondContact O-N 2.68Å; I580-Y595 HydrophobicContact CD1-CD1 4.46Å; I580-Y595 HydrophobicContact CD1-CG 4.21Å; I580-L621 HydrophobicContact CD1-CD1 4.01Å; I580-L621 HydrophobicContact CD1-CD2 3.32Å; I580-L621 HydrophobicContact CD1-CG 4.09Å; I580-L621 HydrophobicContact CG1-CD1 4.42Å; I580-L621 HydrophobicContact CG1-CD2 4.38Å; I580-F623 HydrophobicContact CD1-CB 3.86Å; I580-F623 HydrophobicContact CD1-CD1 3.99Å; I580-F623 HydrophobicContact CD1-CG 3.9Å; I580-F623 HydrophobicContact CG2-CD2 4.08Å; I580-F623 HydrophobicContact CG2-CE2 4.14Å; I580-F623 HydrophobicContact CG2-CG 4.36Å; I580-F623 HydrophobicContact CG2-CZ 4.49Å; I580-Y637 CarbonylContact C-O 3.52Å; I580-Y637 VanDerWaalsContact CA-O 3.27Å; I580-Y637 WeakPolarHBondContact CA-O 3.11Å; I580-F638 HydrophobicContact CG1-CD2 4.33Å
581	K	88.8	Confident	70	Confident	36 Å²	36	69.7 Å²	69.7	16%	0.157	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.7	-179.9	-172.3	-177.1	178.9	-171.5	0	110.2	L583 F636 Y637 L1015	K581-L583 HydrophobicContact CD-CD2 4.03Å; K581-L583 HydrophobicContact CG-CD2 4.23Å; K581-F636 CarbonylContact O-C 3.57Å; K581-F636 WeakPolarHBondContact O-CA 3.36Å; K581-F636 WeakPolarHBondContact O-CB 3.3Å; K581-Y637 PolarHBondContact N-O 3.37Å; K581-Y637 PolarHBondContact O-N 3.4Å; K581-L1015 HydrophobicContact CD-CD1 4.22Å
582	D	89.7	Confident	71.8	Confident	25 Å²	25	69.6 Å²	69.6	13%	0.134	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116	164.9	-175.9	-14	0	0	0	109.2	R584 N585 L593 F636	D582-R584 PolarHBondContact O-N 2.53Å; D582-R584 VanDerWaalsContact OD1-CB 3.25Å; D582-R584 WeakPolarHBondContact OD1-CB 3.39Å; D582-R584 WeakPolarHBondContact OD1-CG 3.43Å; D582-R584 IonicContact OD1-CZ 3.43Å; D582-R584 PolarHBondContact OD1-N 2.73Å; D582-R584 IonicContact OD1-NE 3.83Å; D582-R584 PolarHBondContact OD1-NE 3.4Å; D582-R584 IonicContact OD1-NH2 3.53Å; D582-R584 IonicContact OD2-CZ 3.57Å; D582-R584 VanDerWaalsContact OD2-CZ 3.27Å; D582-R584 IonicContact OD2-NE 2.71Å; D582-R584 PolarHBondContact OD2-NE 3.11Å; D582-R584 VanDerWaalsContact OD2-NE 3.08Å; D582-R584 IonicContact OD2-NH2 2.63Å; D582-R584 PolarHBondContact OD2-NH2 3.29Å; D582-N585 PolarHBondContact O-N 3.06Å; D582-L593 HydrophobicContact CB-CD1 4.24Å; D582-L593 HydrophobicContact CB-CD2 4.29Å; D582-L593 HydrophobicContact CB-CG 4.39Å; D582-F636 HydrophobicContact CB-CD1 4.01Å; D582-F636 HydrophobicContact CB-CE1 3.89Å
583	L	86.7	Confident	73.7	Confident	13 Å²	13	70.6 Å²	70.6	7%	0.068	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.4	-176.7	-58.4	-171.2	0	0	0	113.2	F537 K581 N585 I635 L1018 N1020	F537-L583 HydrophobicContact CD1-CD1 4.17Å; F537-L583 HydrophobicContact CE1-CD1 4.06Å; K581-L583 HydrophobicContact CD-CD2 4.03Å; K581-L583 HydrophobicContact CG-CD2 4.23Å; L583-N585 VanDerWaalsContact C-N 3.26Å; L583-N585 PolarHBondContact O-N 3.14Å; L583-I635 WeakPolarHBondContact CB-O 3.47Å; L583-I635 HydrophobicContact CD1-CB 4Å; L583-I635 HydrophobicContact CD1-CG2 3.56Å; L583-I635 HydrophobicContact CG-CG2 4.45Å; L583-I635 WeakPolarHBondContact CG-O 3.2Å; L583-I635 PolarHBondContact N-O 3.48Å; L583-L1018 HydrophobicContact CD1-CB 4.46Å; L583-L1018 HydrophobicContact CD1-CD2 3.62Å; L583-N1020 VanDerWaalsContact C-CB 3.42Å; L583-N1020 HydrophobicContact CB-CB 4.09Å; L583-N1020 VanDerWaalsContact O-CB 3.29Å; L583-N1020 WeakPolarHBondContact O-CB 3.45Å
584	R	84.5	Confident	75.8	Confident	62 Å²	62	71.3 Å²	71.3	23%	0.234	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.4	172.3	-60.7	170.6	-72.4	-171.8	7.2	112.2	D582 S586 P625 K626 N627 N634 N1020	D582-R584 PolarHBondContact O-N 2.53Å; D582-R584 VanDerWaalsContact OD1-CB 3.25Å; D582-R584 WeakPolarHBondContact OD1-CB 3.39Å; D582-R584 WeakPolarHBondContact OD1-CG 3.43Å; D582-R584 IonicContact OD1-CZ 3.43Å; D582-R584 PolarHBondContact OD1-N 2.73Å; D582-R584 IonicContact OD1-NE 3.83Å; D582-R584 PolarHBondContact OD1-NE 3.4Å; D582-R584 IonicContact OD1-NH2 3.53Å; D582-R584 IonicContact OD2-CZ 3.57Å; D582-R584 VanDerWaalsContact OD2-CZ 3.27Å; D582-R584 IonicContact OD2-NE 2.71Å; D582-R584 PolarHBondContact OD2-NE 3.11Å; D582-R584 VanDerWaalsContact OD2-NE 3.08Å; D582-R584 IonicContact OD2-NH2 2.63Å; D582-R584 PolarHBondContact OD2-NH2 3.29Å; R584-S586 PolarHBondContact O-N 2.94Å; R584-P625 PolarHBondContact NH2-O 2.85Å; R584-K626 PolarHBondContact NH1-O 3.22Å; R584-K626 VanDerWaalsContact NH1-O 3.09Å; R584-K626 PolarHBondContact NH2-O 2.59Å; R584-N627 PolarHBondContact NH1-O 2.9Å; R584-N634 WeakPolarHBondContact CD-ND2 3.49Å; R584-N1020 HydrophobicContact CB-CB 4.3Å; R584-N1020 HydrophobicContact CG-CB 3.81Å
585	N	75	Confident	77.7	Confident	85 Å²	85	68 Å²	68	46%	0.455	35%	0.347	S	S	.	.			trans	-85.5	99.7	179.8	-169.9	0.4	0	0	0	109.7	D582 L583 S587	D582-N585 PolarHBondContact O-N 3.06Å; L583-N585 VanDerWaalsContact C-N 3.26Å; L583-N585 PolarHBondContact O-N 3.14Å; N585-S587 PolarHBondContact ND2-OG 2.76Å; N585-S587 PolarHBondContact O-N 3.13Å; N585-S587 WeakPolarHBondContact OD1-CB 3.36Å; N585-S587 PolarHBondContact OD1-N 3.31Å; N585-S587 PolarHBondContact OD1-OG 3.33Å
586	S	61.2	Low	78.9	Confident	117 Å²	117	64.3 Å²	64.3	82%	0.818	33%	0.331	S	S	*	.			trans	-72.4	-4.9	177.9	58.1	0	0	0	0	113.9	R584 K588	R584-S586 PolarHBondContact O-N 2.94Å; S586-K588 PolarHBondContact O-N 3.36Å
587	S	56.8	Low	79.7	Confident	42 Å²	42	64.8 Å²	64.8	29%	0.294	33%	0.334	S	S	.	.			trans	-59.3	128.6	178.9	60.9	0	0	0	0	110.6	N585 T589	N585-S587 PolarHBondContact ND2-OG 2.76Å; N585-S587 PolarHBondContact O-N 3.13Å; N585-S587 WeakPolarHBondContact OD1-CB 3.36Å; N585-S587 PolarHBondContact OD1-N 3.31Å; N585-S587 PolarHBondContact OD1-OG 3.33Å; S587-T589 WeakPolarHBondContact CB-OG1 3.23Å; S587-T589 PolarHBondContact O-N 3.23Å; S587-T589 PolarHBondContact OG-OG1 3.06Å
588	K	49.5	Very low	80.2	Confident	199 Å²	199	60.1 Å²	60.1	87%	0.865	31%	0.313	S	S	*	.	S	Bend	trans	-61.5	-8.2	174.6	-67.6	-174.2	177.6	-174.8	0	113.2	S586 H590	S586-K588 PolarHBondContact O-N 3.36Å; K588-H590 PolarHBondContact O-CD2 2.87Å; K588-H590 PolarHBondContact O-N 2.93Å
589	T	51.7	Low	80.4	Confident	86 Å²	86	63.4 Å²	63.4	53%	0.528	33%	0.333	S	S	.	.			trans	-66.1	107	169.1	48.2	0	0	0	0	107.7	S587 Q591	S587-T589 WeakPolarHBondContact CB-OG1 3.23Å; S587-T589 PolarHBondContact O-N 3.23Å; S587-T589 PolarHBondContact OG-OG1 3.06Å; T589-Q591 PolarHBondContact O-N 2.97Å
590	H	54.9	Low	80.6	Confident	152 Å²	152	61.9 Å²	61.9	70%	0.704	33%	0.325	S	S	*	.			trans	-64.6	36.5	172.8	-68	-93.9	0	0	0	112.8	K588 S592	K588-H590 PolarHBondContact O-CD2 2.87Å; K588-H590 PolarHBondContact O-N 2.93Å; H590-S592 PolarHBondContact O-N 2.99Å; H590-S592 VanDerWaalsContact O-N 3.12Å
591	Q	72.7	Confident	80.5	Confident	157 Å²	157	62.6 Å²	62.6	73%	0.734	33%	0.329	S	S	*	.			trans	-74.7	108.7	-176.2	-168.5	172.6	5.2	0	0	109.1	T589	T589-Q591 PolarHBondContact O-N 2.97Å
592	S	84.5	Confident	80.5	Confident	25 Å²	25	65.9 Å²	65.9	18%	0.175	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-55.8	140.7	170.1	-170	0	0	0	0	110.4	I578 I579 I580 H590	I578-S592 PolarHBondContact O-OG 3.04Å; I579-S592 WeakPolarHBondContact CA-OG 3.31Å; I580-S592 PolarHBondContact N-OG 3.1Å; I580-S592 CarbonylContact O-C 3.58Å; I580-S592 WeakPolarHBondContact O-CA 3.48Å; H590-S592 PolarHBondContact O-N 2.99Å; H590-S592 VanDerWaalsContact O-N 3.12Å
593	L	91.5	Very high	80.6	Confident	36 Å²	36	65.3 Å²	65.3	19%	0.188	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-57.6	143.6	167.5	-69	-179.3	0	0	0	109.1	I580 D582 Y595 F623 F636	I580-L593 HydrophobicContact CB-CB 4.27Å; I580-L593 HydrophobicContact CG2-CB 4.27Å; I580-L593 HydrophobicContact CG2-CD1 4.04Å; I580-L593 HydrophobicContact CG2-CG 4.47Å; I580-L593 PolarHBondContact O-N 2.68Å; D582-L593 HydrophobicContact CB-CD1 4.24Å; D582-L593 HydrophobicContact CB-CD2 4.29Å; D582-L593 HydrophobicContact CB-CG 4.39Å; L593-Y595 PolarHBondContact O-N 2.59Å; L593-F623 HydrophobicContact CD1-CD2 3.96Å; L593-F623 HydrophobicContact CD1-CE2 4.26Å; L593-F636 HydrophobicContact CD1-CD1 3.9Å; L593-F636 HydrophobicContact CD1-CE1 3.94Å
594	P	92.9	Very high	81	Confident	91 Å²	91	64.7 Å²	64.7	59%	0.591	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-54.4	130.2	169.8	-24.6	34.7	0	0	0	110.4	L802	P594-L802 HydrophobicContact CB-CD1 4.43Å; P594-L802 HydrophobicContact CB-CD2 3.93Å
595	Y	94.2	Very high	81.3	Confident	54 Å²	54	64.9 Å²	64.9	21%	0.212	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	164.9	176.6	69.8	-91.1	0	0	0	110.6	I578 I580 L593 L597 L622	I578-Y595 HydrophobicContact CB-CE1 3.99Å; I578-Y595 HydrophobicContact CB-CE2 3.99Å; I578-Y595 HydrophobicContact CD1-CE2 4Å; I578-Y595 HydrophobicContact CG2-CD1 4.44Å; I578-Y595 HydrophobicContact CG2-CE1 4.2Å; I578-Y595 HydrophobicContact CG2-CE2 4.3Å; I578-Y595 WeakPolarHBondContact O-CE1 3.45Å; I580-Y595 HydrophobicContact CD1-CD1 4.46Å; I580-Y595 HydrophobicContact CD1-CG 4.21Å; L593-Y595 PolarHBondContact O-N 2.59Å; Y595-L597 HydrophobicContact CD2-CG 4.41Å; Y595-L597 HydrophobicContact CE2-CG 4.22Å; Y595-L622 CarbonylContact C-O 3.45Å; Y595-L622 WeakPolarHBondContact CA-O 3.47Å; Y595-L622 WeakPolarHBondContact CB-O 3.38Å
596	Q	94.3	Very high	82.1	Confident	15 Å²	15	64.4 Å²	64.4	7%	0.07	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143	171.8	-172.2	175	-50	0	0	109.6	N598 L622 G800 S801 L802 V803	Q596-N598 WeakPolarHBondContact CG-OD1 3.18Å; Q596-N598 PolarHBondContact NE2-OD1 3.42Å; Q596-L622 PolarHBondContact N-O 2.75Å; Q596-L622 PolarHBondContact O-N 2.68Å; Q596-G800 VanDerWaalsContact OE1-CA 3.25Å; Q596-S801 VanDerWaalsContact OE1-N 3.08Å; Q596-L802 HydrophobicContact CB-CB 4.31Å; Q596-L802 HydrophobicContact CB-CD1 4.19Å; Q596-L802 HydrophobicContact CB-CG 4.37Å; Q596-V803 PolarHBondContact NE2-O 3.23Å; Q596-V803 VanDerWaalsContact NE2-O 3.14Å; Q596-V803 PolarHBondContact OE1-O 2.61Å
597	L	93.4	Very high	83.7	Confident	28 Å²	28	58.9 Å²	58.9	15%	0.147	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118	172.8	-65.8	174.7	0	0	0	109	I557 I559 I578 Y595 Y619 L621	I557-L597 HydrophobicContact CD1-CD2 3.69Å; I557-L597 HydrophobicContact CG1-CD2 4.5Å; I559-L597 HydrophobicContact CD1-CD1 3.39Å; I559-L597 HydrophobicContact CD1-CD2 4.15Å; I559-L597 HydrophobicContact CD1-CG 4.38Å; I578-L597 HydrophobicContact CD1-CD1 3.94Å; I578-L597 HydrophobicContact CD1-CD2 3.8Å; I578-L597 HydrophobicContact CD1-CG 4.26Å; Y595-L597 HydrophobicContact CD2-CG 4.41Å; Y595-L597 HydrophobicContact CE2-CG 4.22Å; L597-Y619 HydrophobicContact CB-CD1 3.88Å; L597-Y619 HydrophobicContact CB-CE1 4.44Å; L597-Y619 HydrophobicContact CB-CG 4.45Å; L597-L621 HydrophobicContact CD2-CB 4.19Å; L597-L621 HydrophobicContact CD2-CG 4.47Å
598	N	93	Very high	85.4	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.011	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.3	176.9	-64.1	-1	0	0	0	108.4	Q596 I600 Y619 E620 E805	Q596-N598 WeakPolarHBondContact CG-OD1 3.18Å; Q596-N598 PolarHBondContact NE2-OD1 3.42Å; N598-I600 PolarHBondContact O-N 2.8Å; N598-Y619 CarbonylContact O-C 3.44Å; N598-Y619 VanDerWaalsContact O-CA 3.29Å; N598-Y619 WeakPolarHBondContact O-CA 3.42Å; N598-E620 PolarHBondContact N-O 2.82Å; N598-E620 PolarHBondContact O-N 2.84Å; N598-E805 WeakPolarHBondContact CB-OE2 3.44Å; N598-E805 VanDerWaalsContact CG-CD 3.49Å; N598-E805 VanDerWaalsContact CG-OE2 3.26Å; N598-E805 PolarHBondContact ND2-OE1 2.74Å; N598-E805 PolarHBondContact ND2-OE2 3.19Å
599	V	92.3	Very high	87.2	Confident	71 Å²	71	50.7 Å²	50.7	43%	0.43	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.3	178.7	178.3	0	0	0	0	108.9	N601 Y619	V599-N601 PolarHBondContact O-N 2.98Å; V599-N601 VanDerWaalsContact O-N 3.16Å; V599-Y619 HydrophobicContact CB-CE1 4.4Å; V599-Y619 HydrophobicContact CG2-CD1 4.06Å; V599-Y619 HydrophobicContact CG2-CE1 3.48Å; V599-Y619 VanDerWaalsContact CG2-CE1 3.48Å
600	I	93.1	Very high	89.1	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-66.1	118.7	171.9	-64.1	172.8	0	0	0	107.7	P556 N598 T604 L605 A617 N618 E620	P556-I600 HydrophobicContact CB-CD1 4.41Å; N598-I600 PolarHBondContact O-N 2.8Å; I600-T604 HydrophobicContact CG2-CG2 3.7Å; I600-L605 HydrophobicContact CB-CD2 4.19Å; I600-L605 HydrophobicContact CB-CG 4.41Å; I600-L605 HydrophobicContact CG2-CD2 3.78Å; I600-L605 HydrophobicContact CG2-CG 3.89Å; I600-A617 HydrophobicContact CD1-CB 4Å; I600-A617 WeakPolarHBondContact CD1-O 3.27Å; I600-N618 PolarHBondContact N-O 3.01Å; I600-E620 HydrophobicContact CD1-CG 4.41Å; I600-E620 HydrophobicContact CG1-CG 3.95Å
601	N	89.5	Confident	90.5	Very high	15 Å²	15	46.9 Å²	46.9	8%	0.08	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64.9	155.6	-174.3	74.7	80.6	0	0	0	112.3	V599 R603 T604 L605 Y807 I817	V599-N601 PolarHBondContact O-N 2.98Å; V599-N601 VanDerWaalsContact O-N 3.16Å; N601-R603 VanDerWaalsContact C-N 3.27Å; N601-R603 PolarHBondContact O-N 3.02Å; N601-R603 WeakPolarHBondContact OD1-CA 3.37Å; N601-R603 WeakPolarHBondContact OD1-CB 3.27Å; N601-R603 PolarHBondContact OD1-N 3.14Å; N601-T604 PolarHBondContact ND2-OG1 3.2Å; N601-T604 PolarHBondContact O-N 3.31Å; N601-T604 PolarHBondContact OD1-N 2.91Å; N601-L605 WeakPolarHBondContact O-CG 3.5Å; N601-L605 PolarHBondContact O-N 3.21Å; N601-Y807 HydrophobicContact CB-CD2 3.88Å; N601-Y807 HydrophobicContact CB-CE2 3.64Å; N601-I817 HydrophobicContact CB-CD1 4.14Å; N601-I817 WeakPolarHBondContact ND2-CD1 3.47Å
602	K	89.7	Confident	91	Very high	105 Å²	105	41.6 Å²	41.6	46%	0.457	21%	0.214	S	C	.	.	H	α-helix	trans	-55.6	-37.1	-177.4	-177.4	-176	169.1	-158.9	0	113.6	L605 Q606 E809	K602-L605 PolarHBondContact O-N 3.08Å; K602-Q606 VanDerWaalsContact O-CG 3.26Å; K602-Q606 WeakPolarHBondContact O-CG 2.93Å; K602-Q606 PolarHBondContact O-N 3.43Å; K602-E809 IonicContact NZ-OE1 3.24Å; K602-E809 PolarHBondContact NZ-OE1 2.87Å; K602-E809 IonicContact NZ-OE2 3.8Å
603	R	92.1	Very high	90.6	Very high	13 Å²	13	45.3 Å²	45.3	5%	0.049	24%	0.24	C	C	.	.	H	α-helix	trans	-69.5	-45	-179.4	-172.6	70.1	-139.6	110.3	10	110.9	N601 L605 Q606 S815 T831 G833	N601-R603 VanDerWaalsContact C-N 3.27Å; N601-R603 PolarHBondContact O-N 3.02Å; N601-R603 WeakPolarHBondContact OD1-CA 3.37Å; N601-R603 WeakPolarHBondContact OD1-CB 3.27Å; N601-R603 PolarHBondContact OD1-N 3.14Å; R603-L605 VanDerWaalsContact C-N 3.34Å; R603-L605 PolarHBondContact O-N 3.43Å; R603-Q606 PolarHBondContact O-N 2.78Å; R603-S815 WeakPolarHBondContact CB-OG 3.4Å; R603-T831 HydrophobicContact CB-CG2 4.33Å; R603-T831 HydrophobicContact CG-CG2 3.49Å; R603-T831 VanDerWaalsContact CG-CG2 3.49Å; R603-G833 PolarHBondContact NE-O 2.98Å; R603-G833 PolarHBondContact NH2-O 3.24Å
604	T	93.7	Very high	89.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-46	172.8	-62.2	0	0	0	0	110.5	I600 N601 Q606 I607 R610	I600-T604 HydrophobicContact CG2-CG2 3.7Å; N601-T604 PolarHBondContact ND2-OG1 3.2Å; N601-T604 PolarHBondContact O-N 3.31Å; N601-T604 PolarHBondContact OD1-N 2.91Å; T604-Q606 PolarHBondContact O-N 3.49Å; T604-Q606 VanDerWaalsContact O-N 3.1Å; T604-I607 HydrophobicContact CG2-CD1 4.22Å; T604-I607 WeakPolarHBondContact O-CB 3.11Å; T604-I607 VanDerWaalsContact O-CG1 3.24Å; T604-I607 WeakPolarHBondContact O-CG1 3.45Å; T604-I607 PolarHBondContact O-N 2.85Å; T604-I607 VanDerWaalsContact O-N 3.11Å; T604-R610 WeakPolarHBondContact O-CD 3.41Å
605	L	92.2	Very high	89.4	Confident	65 Å²	65	46.4 Å²	46.4	34%	0.34	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-25.8	177.6	-70.9	175.3	0	0	0	114.3	I600 N601 K602 R603	I600-L605 HydrophobicContact CB-CD2 4.19Å; I600-L605 HydrophobicContact CB-CG 4.41Å; I600-L605 HydrophobicContact CG2-CD2 3.78Å; I600-L605 HydrophobicContact CG2-CG 3.89Å; N601-L605 WeakPolarHBondContact O-CG 3.5Å; N601-L605 PolarHBondContact O-N 3.21Å; K602-L605 PolarHBondContact O-N 3.08Å; R603-L605 VanDerWaalsContact C-N 3.34Å; R603-L605 PolarHBondContact O-N 3.43Å
606	Q	91.4	Very high	89	Confident	76 Å²	76	47.5 Å²	47.5	36%	0.355	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.8	-177.8	-75.8	176	-12.1	0	0	114.1	K602 R603 T604 P608	K602-Q606 VanDerWaalsContact O-CG 3.26Å; K602-Q606 WeakPolarHBondContact O-CG 2.93Å; K602-Q606 PolarHBondContact O-N 3.43Å; R603-Q606 PolarHBondContact O-N 2.78Å; T604-Q606 PolarHBondContact O-N 3.49Å; T604-Q606 VanDerWaalsContact O-N 3.1Å; Q606-P608 WeakPolarHBondContact O-CD 3.41Å
607	I	93.9	Very high	88.8	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.243	C	C	.	.			trans	-59.7	120.5	174.5	-66.5	174.4	0	0	0	109.6	I504 T604 E609 R610 I973	I504-I607 HydrophobicContact CB-CD1 4.06Å; I504-I607 HydrophobicContact CD1-CG2 4.27Å; I504-I607 HydrophobicContact CG2-CD1 3.76Å; I504-I607 HydrophobicContact CG2-CG2 4.34Å; T604-I607 HydrophobicContact CG2-CD1 4.22Å; T604-I607 WeakPolarHBondContact O-CB 3.11Å; T604-I607 VanDerWaalsContact O-CG1 3.24Å; T604-I607 WeakPolarHBondContact O-CG1 3.45Å; T604-I607 PolarHBondContact O-N 2.85Å; T604-I607 VanDerWaalsContact O-N 3.11Å; I607-E609 HydrophobicContact CG2-CB 4.03Å; I607-E609 WeakPolarHBondContact CG2-OE2 3.46Å; I607-E609 PolarHBondContact O-N 2.88Å; I607-R610 HydrophobicContact CB-CG 4.16Å; I607-R610 HydrophobicContact CG2-CG 4.4Å; I607-R610 WeakPolarHBondContact O-CB 3.31Å; I607-R610 PolarHBondContact O-N 2.8Å; I607-I973 HydrophobicContact CB-CD1 4.27Å; I607-I973 HydrophobicContact CD1-CG2 4.33Å; I607-I973 HydrophobicContact CG1-CB 4.22Å; I607-I973 HydrophobicContact CG1-CD1 3.99Å; I607-I973 HydrophobicContact CG1-CG2 3.9Å
608	P	91.9	Very high	88.7	Confident	17 Å²	17	46.8 Å²	46.8	11%	0.11	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53.8	-37.6	-177.5	-29.2	36	0	0	0	114.2	Q606 R610 K611 L967 D968 I973	Q606-P608 WeakPolarHBondContact O-CD 3.41Å; P608-R610 PolarHBondContact O-N 3.46Å; P608-R610 VanDerWaalsContact O-N 3.12Å; P608-K611 WeakPolarHBondContact O-CB 3.25Å; P608-K611 PolarHBondContact O-N 2.94Å; P608-L967 HydrophobicContact CB-CB 4.41Å; P608-D968 HydrophobicContact CB-CB 4.09Å; P608-D968 HydrophobicContact CG-CB 4.06Å; P608-D968 VanDerWaalsContact CG-CG 3.42Å; P608-D968 WeakPolarHBondContact CG-OD2 3.44Å; P608-I973 HydrophobicContact CG-CD1 4.32Å
609	E	88.5	Confident	88.7	Confident	51 Å²	51	47 Å²	47	24%	0.238	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-59.5	-22	177.4	-64.1	66.3	-158.2	0	0	112.4	I504 I607 L967	I504-E609 HydrophobicContact CD1-CB 3.63Å; I607-E609 HydrophobicContact CG2-CB 4.03Å; I607-E609 WeakPolarHBondContact CG2-OE2 3.46Å; I607-E609 PolarHBondContact O-N 2.88Å; E609-L967 HydrophobicContact CB-CD1 4.17Å; E609-L967 HydrophobicContact CG-CD1 3.61Å; E609-L967 HydrophobicContact CG-CG 3.98Å; E609-L967 WeakPolarHBondContact OE1-CG 3.49Å; E609-L967 PolarHBondContact OE1-N 3.05Å
610	R	90.8	Very high	88.8	Confident	13 Å²	13	44.2 Å²	44.2	5%	0.049	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-85.1	-16.5	172.6	-61	177.6	58.8	77.9	5.3	114.1	I504 S505 L506 T604 I607 P608 S612 A617	I504-R610 HydrophobicContact CD1-CG 4.31Å; I504-R610 WeakPolarHBondContact O-CD 3.29Å; I504-R610 PolarHBondContact O-NH1 2.95Å; S505-R610 PolarHBondContact O-NH1 3.07Å; L506-R610 HydrophobicContact CD1-CB 4.32Å; L506-R610 HydrophobicContact CD1-CG 3.86Å; L506-R610 HydrophobicContact CD2-CB 4.2Å; L506-R610 HydrophobicContact CD2-CG 3.88Å; L506-R610 VanDerWaalsContact CD2-NH1 3.31Å; L506-R610 HydrophobicContact CG-CG 3.86Å; T604-R610 WeakPolarHBondContact O-CD 3.41Å; I607-R610 HydrophobicContact CB-CG 4.16Å; I607-R610 HydrophobicContact CG2-CG 4.4Å; I607-R610 WeakPolarHBondContact O-CB 3.31Å; I607-R610 PolarHBondContact O-N 2.8Å; P608-R610 PolarHBondContact O-N 3.46Å; P608-R610 VanDerWaalsContact O-N 3.12Å; R610-S612 PolarHBondContact O-N 3.11Å; R610-A617 PolarHBondContact NH2-O 2.92Å
611	K	85.4	Confident	88.9	Confident	145 Å²	145	44 Å²	44	63%	0.63	23%	0.225	S	C	*	.			trans	-78	72.7	-174.3	-62.4	-177.6	-175.9	169.4	0	110.2	P608	P608-K611 WeakPolarHBondContact O-CB 3.25Å; P608-K611 PolarHBondContact O-N 2.94Å
612	S	82	Confident	89.3	Confident	47 Å²	47	43.3 Å²	43.3	33%	0.329	22%	0.221	S	C	.	.	S	Bend	trans	-128.3	146.5	175.4	177.5	0	0	0	0	109	R610 L614 H615	R610-S612 PolarHBondContact O-N 3.11Å; S612-L614 PolarHBondContact O-N 2.75Å; S612-L614 VanDerWaalsContact O-N 3.1Å; S612-L614 PolarHBondContact OG-N 2.73Å; S612-H615 PolarHBondContact O-N 2.81Å
613	S	76.1	Confident	89.6	Confident	103 Å²	103	38.3 Å²	38.3	72%	0.72	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-6.3	171.9	59.7	0	0	0	0	113.6	H616	S613-H616 PolarHBondContact O-NE2 3.18Å
614	L	75.9	Confident	89.8	Confident	116 Å²	116	38.8 Å²	38.8	61%	0.607	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-15.5	177.9	-60.6	174.6	0	0	0	112.7	S612	S612-L614 PolarHBondContact O-N 2.75Å; S612-L614 VanDerWaalsContact O-N 3.1Å; S612-L614 PolarHBondContact OG-N 2.73Å
615	H	84.5	Confident	89.8	Confident	34 Å²	34	38.9 Å²	38.9	16%	0.157	20%	0.203	C	C	.	.			trans	-115.2	113.3	-170.4	-66.8	-56.2	0	0	0	111	L506 N508 E511 S612	L506-H615 HydrophobicContact CD2-CB 3.66Å; N508-H615 PolarHBondContact OD1-CE1 3.48Å; E511-H615 IonicContact OE1-CE1 3.59Å; E511-H615 IonicContact OE1-ND1 2.72Å; E511-H615 PolarHBondContact OE1-ND1 3.16Å; E511-H615 VanDerWaalsContact OE1-ND1 3.11Å; E511-H615 VanDerWaalsContact OE2-CA 3.28Å; E511-H615 WeakPolarHBondContact OE2-CA 3.41Å; E511-H615 IonicContact OE2-ND1 3.39Å; S612-H615 PolarHBondContact O-N 2.81Å
616	H	84.3	Confident	89.7	Confident	77 Å²	77	42 Å²	42	36%	0.356	21%	0.214	S	C	.	.			trans	-128.8	-0.7	-175.5	-67.8	-86	0	0	0	113.2	E511 Q514 Y558 S613 N618	E511-H616 PolarHBondContact OE2-N 3.04Å; Q514-H616 PolarHBondContact NE2-CD2 2.97Å; Q514-H616 PolarHBondContact NE2-NE2 3.22Å; Q514-H616 PolarHBondContact OE1-CD2 2.89Å; Y558-H616 HydrophobicContact CD2-CB 3.91Å; Y558-H616 WeakPolarHBondContact CD2-O 3.49Å; Y558-H616 HydrophobicContact CE2-CB 4.23Å; Y558-H616 HydrophobicContact CG-CB 4.27Å; S613-H616 PolarHBondContact O-NE2 3.18Å; H616-N618 PolarHBondContact O-N 2.87Å
617	A	90.8	Very high	89.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.217	C	C	.	.			trans	-47.8	128.7	178.3	0	0	0	0	0	112.4	E511 P556 I557 I600 R610	E511-A617 HydrophobicContact CG-CB 3.83Å; E511-A617 WeakPolarHBondContact OE2-CB 3.01Å; E511-A617 PolarHBondContact OE2-N 3.2Å; P556-A617 HydrophobicContact CB-CB 3.63Å; I557-A617 WeakPolarHBondContact O-CA 3.45Å; I600-A617 HydrophobicContact CD1-CB 4Å; I600-A617 WeakPolarHBondContact CD1-O 3.27Å; R610-A617 PolarHBondContact NH2-O 2.92Å
618	N	90.7	Very high	89.8	Confident	26 Å²	26	42 Å²	42	14%	0.139	22%	0.217	C	C	.	.			trans	-124.9	-13.3	-178.8	58.4	-16.7	0	0	0	113	I557 Y558 I559 I561 I600 H616	I557-N618 PolarHBondContact O-N 3.34Å; I557-N618 VanDerWaalsContact O-N 3.1Å; I557-N618 PolarHBondContact O-OD1 3.2Å; Y558-N618 WeakPolarHBondContact CA-OD1 3.31Å; I559-N618 PolarHBondContact N-OD1 3.48Å; I559-N618 PolarHBondContact O-ND2 3.28Å; I561-N618 VanDerWaalsContact CD1-ND2 3.3Å; I561-N618 WeakPolarHBondContact CD1-ND2 3.34Å; I600-N618 PolarHBondContact N-O 3.01Å; H616-N618 PolarHBondContact O-N 2.87Å
619	Y	93.5	Very high	90	Very high	8 Å²	8	44 Å²	44	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.5	173	-69.2	-87.4	0	0	0	111.2	P556 I557 I559 I561 L597 N598 V599	P556-Y619 CarbonylContact C-O 3.55Å; P556-Y619 WeakPolarHBondContact CA-O 3Å; I557-Y619 PolarHBondContact N-O 3.3Å; I557-Y619 PolarHBondContact O-N 2.89Å; I559-Y619 HydrophobicContact CB-CD2 3.94Å; I559-Y619 HydrophobicContact CB-CE2 4.08Å; I559-Y619 HydrophobicContact CD1-CD2 3.98Å; I559-Y619 HydrophobicContact CD1-CE2 4.42Å; I559-Y619 HydrophobicContact CD1-CG 4.4Å; I559-Y619 HydrophobicContact CG1-CD2 4.1Å; I561-Y619 HydrophobicContact CD1-CE2 3.98Å; I561-Y619 HydrophobicContact CG1-CE2 4.24Å; L597-Y619 HydrophobicContact CB-CD1 3.88Å; L597-Y619 HydrophobicContact CB-CE1 4.44Å; L597-Y619 HydrophobicContact CB-CG 4.45Å; N598-Y619 CarbonylContact O-C 3.44Å; N598-Y619 VanDerWaalsContact O-CA 3.29Å; N598-Y619 WeakPolarHBondContact O-CA 3.42Å; V599-Y619 HydrophobicContact CB-CE1 4.4Å; V599-Y619 HydrophobicContact CG2-CD1 4.06Å; V599-Y619 HydrophobicContact CG2-CE1 3.48Å; V599-Y619 VanDerWaalsContact CG2-CE1 3.48Å
620	E	95	Very high	90.4	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.056	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.4	158.5	-72	178.8	156.4	0	0	108.2	S505 F555 N598 I600 R975	S505-E620 WeakPolarHBondContact CB-OE1 3.36Å; S505-E620 PolarHBondContact OG-OE1 2.9Å; F555-E620 WeakPolarHBondContact O-CA 3.49Å; N598-E620 PolarHBondContact N-O 2.82Å; N598-E620 PolarHBondContact O-N 2.84Å; I600-E620 HydrophobicContact CD1-CG 4.41Å; I600-E620 HydrophobicContact CG1-CG 3.95Å; E620-R975 IonicContact OE1-CZ 3.93Å; E620-R975 IonicContact OE1-NH1 3.82Å; E620-R975 PolarHBondContact OE1-NH1 2.61Å; E620-R975 IonicContact OE1-NH2 3.11Å; E620-R975 PolarHBondContact OE1-NH2 2.8Å; E620-R975 IonicContact OE2-NH2 3.56Å
621	L	95.6	Very high	90.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123	169.9	179.8	154.3	0	0	0	108.8	R554 F555 I557 I578 I580 L597 F623 F638	R554-L621 VanDerWaalsContact CA-O 3.3Å; R554-L621 WeakPolarHBondContact CA-O 3.09Å; F555-L621 HydrophobicContact CD1-CD2 4.43Å; F555-L621 HydrophobicContact CE1-CD2 3.59Å; F555-L621 HydrophobicContact CE2-CB 4.14Å; F555-L621 HydrophobicContact CE2-CD1 4.38Å; F555-L621 HydrophobicContact CE2-CD2 4.32Å; F555-L621 HydrophobicContact CZ-CB 4.2Å; F555-L621 HydrophobicContact CZ-CD1 4.07Å; F555-L621 HydrophobicContact CZ-CD2 3.53Å; F555-L621 HydrophobicContact CZ-CG 4.15Å; F555-L621 PolarHBondContact N-O 3.18Å; F555-L621 PolarHBondContact O-N 2.81Å; I557-L621 HydrophobicContact CD1-CB 4.15Å; I557-L621 HydrophobicContact CD1-CD1 4.26Å; I557-L621 HydrophobicContact CG1-CB 4.42Å; I557-L621 HydrophobicContact CG2-CB 4.44Å; I578-L621 HydrophobicContact CD1-CD1 4.37Å; I578-L621 HydrophobicContact CG2-CD1 3.63Å; I580-L621 HydrophobicContact CD1-CD1 4.01Å; I580-L621 HydrophobicContact CD1-CD2 3.32Å; I580-L621 HydrophobicContact CD1-CG 4.09Å; I580-L621 HydrophobicContact CG1-CD1 4.42Å; I580-L621 HydrophobicContact CG1-CD2 4.38Å; L597-L621 HydrophobicContact CD2-CB 4.19Å; L597-L621 HydrophobicContact CD2-CG 4.47Å; L621-F623 HydrophobicContact CD2-CD1 3.72Å; L621-F623 HydrophobicContact CD2-CE1 4.41Å; L621-F638 HydrophobicContact CD1-CD2 3.95Å; L621-F638 HydrophobicContact CD1-CE2 3.43Å; L621-F638 VanDerWaalsContact CD1-CE2 3.43Å; L621-F638 HydrophobicContact CD1-CZ 4.24Å
622	L	96.5	Very high	91.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.5	-178.8	173.2	71.6	0	0	0	110.2	W552 I553 R554 Y595 Q596 V803 Y821	W552-L622 HydrophobicContact CB-CD1 3.91Å; W552-L622 HydrophobicContact CD2-CD1 4.44Å; W552-L622 HydrophobicContact CE3-CD1 3.86Å; W552-L622 HydrophobicContact CE3-CD2 4.37Å; W552-L622 HydrophobicContact CE3-CG 4.1Å; W552-L622 HydrophobicContact CG-CD1 4.5Å; I553-L622 WeakPolarHBondContact O-CA 3.31Å; R554-L622 HydrophobicContact CG-CB 4.2Å; R554-L622 HydrophobicContact CG-CD1 3.46Å; R554-L622 VanDerWaalsContact CG-CD1 3.46Å; R554-L622 HydrophobicContact CG-CG 4.42Å; Y595-L622 CarbonylContact C-O 3.45Å; Y595-L622 WeakPolarHBondContact CA-O 3.47Å; Y595-L622 WeakPolarHBondContact CB-O 3.38Å; Q596-L622 PolarHBondContact N-O 2.75Å; Q596-L622 PolarHBondContact O-N 2.68Å; L622-V803 HydrophobicContact CD2-CB 4.1Å; L622-V803 HydrophobicContact CD2-CG1 3.36Å; L622-Y821 HydrophobicContact CD1-CE1 4.13Å; L622-Y821 HydrophobicContact CD2-CE1 4.02Å
623	F	96.6	Very high	91.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	164.2	169.3	74.2	-73.5	0	0	0	111.5	L540 I553 F555 I580 L593 L621 P625 F636	L540-F623 HydrophobicContact CD1-CZ 4.19Å; I553-F623 HydrophobicContact CB-CD1 4.09Å; I553-F623 HydrophobicContact CB-CE1 3.59Å; I553-F623 HydrophobicContact CB-CZ 3.95Å; I553-F623 HydrophobicContact CG1-CE1 4.42Å; I553-F623 HydrophobicContact CG1-CZ 4.29Å; I553-F623 HydrophobicContact CG2-CD1 4.42Å; I553-F623 HydrophobicContact CG2-CE1 3.59Å; I553-F623 HydrophobicContact CG2-CZ 4.05Å; I553-F623 PolarHBondContact N-O 3.48Å; I553-F623 PolarHBondContact O-N 2.91Å; I553-F623 VanDerWaalsContact O-N 3.12Å; F555-F623 HydrophobicContact CD1-CE1 4.42Å; F555-F623 HydrophobicContact CE1-CD1 4.38Å; F555-F623 AromaticContact CE1-CE1 3.85Å; F555-F623 HydrophobicContact CE1-CE1 3.85Å; I580-F623 HydrophobicContact CD1-CB 3.86Å; I580-F623 HydrophobicContact CD1-CD1 3.99Å; I580-F623 HydrophobicContact CD1-CG 3.9Å; I580-F623 HydrophobicContact CG2-CD2 4.08Å; I580-F623 HydrophobicContact CG2-CE2 4.14Å; I580-F623 HydrophobicContact CG2-CG 4.36Å; I580-F623 HydrophobicContact CG2-CZ 4.49Å; L593-F623 HydrophobicContact CD1-CD2 3.96Å; L593-F623 HydrophobicContact CD1-CE2 4.26Å; L621-F623 HydrophobicContact CD2-CD1 3.72Å; L621-F623 HydrophobicContact CD2-CE1 4.41Å; F623-P625 HydrophobicContact CE2-CB 3.93Å; F623-F636 HydrophobicContact CE2-CD1 4.25Å; F623-F636 HydrophobicContact CE2-CG 4.48Å
624	N	95.8	Very high	92.5	Very high	22 Å²	22	27.1 Å²	27.1	12%	0.118	13%	0.134	C	C	.	.			trans	-111.3	113.2	172.7	-176.5	-38.2	0	0	0	109.2	S549 V551 W552 K626	S549-N624 PolarHBondContact O-ND2 2.93Å; S549-N624 PolarHBondContact O-OD1 3.25Å; V551-N624 WeakPolarHBondContact O-CA 3.16Å; V551-N624 PolarHBondContact O-ND2 3.01Å; V551-N624 PolarHBondContact O-OD1 3.1Å; W552-N624 HydrophobicContact CD2-CB 4.28Å; W552-N624 HydrophobicContact CE3-CB 3.8Å; W552-N624 HydrophobicContact CH2-CB 4.07Å; W552-N624 HydrophobicContact CZ2-CB 4.49Å; W552-N624 HydrophobicContact CZ3-CB 3.69Å; N624-K626 VanDerWaalsContact C-N 3.32Å; N624-K626 PolarHBondContact O-N 2.62Å; N624-K626 VanDerWaalsContact OD1-CG 3.28Å; N624-K626 WeakPolarHBondContact OD1-CG 3.16Å; N624-K626 PolarHBondContact OD1-N 2.83Å
625	P	94.5	Very high	93.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.013	11%	0.105	C	C	.	.			trans	-70.3	-25.8	-176.8	26.4	-33.9	0	0	0	113.8	L540 V551 I553 R584 F623 L628 F636	L540-P625 HydrophobicContact CD1-CB 3.72Å; L540-P625 HydrophobicContact CD1-CG 3.78Å; V551-P625 WeakPolarHBondContact O-CD 3.18Å; I553-P625 HydrophobicContact CG1-CG 3.99Å; R584-P625 PolarHBondContact NH2-O 2.85Å; F623-P625 HydrophobicContact CE2-CB 3.93Å; P625-L628 HydrophobicContact CB-CD2 3.89Å; P625-L628 HydrophobicContact CB-CG 4.31Å; P625-L628 HydrophobicContact CG-CD1 3.82Å; P625-L628 HydrophobicContact CG-CD2 3.99Å; P625-L628 HydrophobicContact CG-CG 3.95Å; P625-F636 HydrophobicContact CB-CE1 3.76Å; P625-F636 HydrophobicContact CB-CE2 3.92Å; P625-F636 HydrophobicContact CB-CZ 3.32Å
626	K	90.9	Very high	93.6	Very high	130 Å²	130	20 Å²	20	57%	0.565	10%	0.098	S	C	*	.			trans	55.2	147.9	-170.9	-56.2	-177.7	179.7	-179.3	0	114.6	R584 N624 L628	R584-K626 PolarHBondContact NH1-O 3.22Å; R584-K626 VanDerWaalsContact NH1-O 3.09Å; R584-K626 PolarHBondContact NH2-O 2.59Å; N624-K626 VanDerWaalsContact C-N 3.32Å; N624-K626 PolarHBondContact O-N 2.62Å; N624-K626 VanDerWaalsContact OD1-CG 3.28Å; N624-K626 WeakPolarHBondContact OD1-CG 3.16Å; N624-K626 PolarHBondContact OD1-N 2.83Å; K626-L628 VanDerWaalsContact C-N 3.33Å; K626-L628 PolarHBondContact O-N 2.89Å
627	N	91.5	Very high	93.9	Very high	79 Å²	79	17.1 Å²	17.1	42%	0.422	8%	0.084	S	C	.	.	S	Bend	trans	54.9	41.4	164.5	-63.4	-0.6	0	0	0	114.6	E547 Q548 S549 R584 L629	E547-N627 HydrophobicContact CG-CB 4.47Å; E547-N627 WeakPolarHBondContact OE1-CA 3.18Å; E547-N627 WeakPolarHBondContact OE1-CB 3.01Å; E547-N627 PolarHBondContact OE1-OD1 2.71Å; Q548-N627 PolarHBondContact O-N 2.77Å; Q548-N627 VanDerWaalsContact O-N 3.17Å; S549-N627 WeakPolarHBondContact CB-OD1 3.36Å; S549-N627 PolarHBondContact OG-OD1 3.4Å; R584-N627 PolarHBondContact NH1-O 2.9Å; N627-L629 PolarHBondContact O-N 2.84Å
628	L	95.4	Very high	93.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-67.4	125.6	179.7	-67.4	176.5	0	0	0	110.2	L540 N542 E547 Q548 V551 P625 K626 N634 F636 I1003	L540-L628 HydrophobicContact CB-CD2 4.03Å; L540-L628 HydrophobicContact CD1-CD2 4.1Å; N542-L628 HydrophobicContact CB-CB 4.41Å; N542-L628 PolarHBondContact ND2-O 3.45Å; E547-L628 VanDerWaalsContact CA-O 3.25Å; E547-L628 WeakPolarHBondContact CA-O 3.06Å; E547-L628 WeakPolarHBondContact CG-O 3.44Å; Q548-L628 HydrophobicContact CB-CB 4.38Å; Q548-L628 PolarHBondContact N-O 3.34Å; Q548-L628 PolarHBondContact O-N 2.92Å; V551-L628 HydrophobicContact CB-CD1 4.46Å; V551-L628 HydrophobicContact CG2-CD1 4.5Å; P625-L628 HydrophobicContact CB-CD2 3.89Å; P625-L628 HydrophobicContact CB-CG 4.31Å; P625-L628 HydrophobicContact CG-CD1 3.82Å; P625-L628 HydrophobicContact CG-CD2 3.99Å; P625-L628 HydrophobicContact CG-CG 3.95Å; K626-L628 VanDerWaalsContact C-N 3.33Å; K626-L628 PolarHBondContact O-N 2.89Å; L628-N634 WeakPolarHBondContact CA-OD1 3.24Å; L628-N634 HydrophobicContact CD2-CB 4.03Å; L628-F636 HydrophobicContact CD2-CE2 4.07Å; L628-F636 HydrophobicContact CD2-CZ 4.18Å; L628-I1003 HydrophobicContact CD1-CD1 3.73Å; L628-I1003 HydrophobicContact CD1-CG1 3.62Å; L628-I1003 HydrophobicContact CD1-CG2 4.17Å
629	L	95.2	Very high	93.7	Very high	58 Å²	58	16.7 Å²	16.7	30%	0.304	8%	0.08	S	C	.	.	P	Polyproline II helix	trans	-60.1	143.6	-176.5	-66.6	173.7	0	0	0	111.3	N542 N627 N634	N542-L629 VanDerWaalsContact CB-O 3.23Å; N542-L629 WeakPolarHBondContact CB-O 3.25Å; N542-L629 PolarHBondContact ND2-O 3.15Å; N627-L629 PolarHBondContact O-N 2.84Å; L629-N634 WeakPolarHBondContact CD1-ND2 3.46Å; L629-N634 PolarHBondContact N-OD1 3.27Å
630	P	96.4	Very high	93.3	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.026	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	152	176.7	32.1	-38	0	0	0	111.8	L544 G545 G632 S1023 I1025	L544-P630 CarbonylContact O-C 3.6Å; L544-P630 VanDerWaalsContact O-CA 3.27Å; L544-P630 WeakPolarHBondContact O-CA 3.04Å; L544-P630 WeakPolarHBondContact O-CB 3.43Å; G545-P630 VanDerWaalsContact C-CB 3.49Å; P630-G632 PolarHBondContact O-N 2.74Å; P630-G632 VanDerWaalsContact O-N 3.09Å; P630-S1023 WeakPolarHBondContact O-CB 3.39Å; P630-S1023 PolarHBondContact O-OG 2.81Å; P630-I1025 HydrophobicContact CB-CD1 3.65Å; P630-I1025 HydrophobicContact CB-CG1 4.03Å; P630-I1025 HydrophobicContact CG-CD1 3.68Å; P630-I1025 HydrophobicContact CG-CG1 3.67Å
631	V	96.5	Very high	92.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.7	53	176.5	-167.5	0	0	0	0	111.1	Q411 F415 N542 L544 G1024 I1025 L1035 L1038	Q411-V631 HydrophobicContact CB-CG1 4.25Å; Q411-V631 HydrophobicContact CG-CG1 4.16Å; F415-V631 HydrophobicContact CE2-CG1 3.78Å; F415-V631 HydrophobicContact CZ-CG1 4.38Å; N542-V631 WeakPolarHBondContact O-CA 3.17Å; N542-V631 PolarHBondContact O-N 2.79Å; L544-V631 PolarHBondContact O-N 2.77Å; V631-G1024 PolarHBondContact O-N 2.9Å; V631-I1025 HydrophobicContact CB-CG1 4.41Å; V631-I1025 HydrophobicContact CB-CG2 4.28Å; V631-I1025 HydrophobicContact CG2-CD1 4.11Å; V631-I1025 HydrophobicContact CG2-CG1 4.34Å; V631-I1025 HydrophobicContact CG2-CG2 4.14Å; V631-L1035 HydrophobicContact CG2-CD2 3.56Å; V631-L1038 HydrophobicContact CG1-CD2 4.27Å
632	G	94.7	Very high	91.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	178.5	-159.4	0	0	0	0	0	113	Y541 N542 P630 W1022	Y541-G632 CarbonylContact C-O 3.54Å; Y541-G632 WeakPolarHBondContact CA-O 3.24Å; Y541-G632 VanDerWaalsContact CD2-O 3.26Å; Y541-G632 WeakPolarHBondContact CD2-O 3.27Å; N542-G632 PolarHBondContact N-O 3.19Å; N542-G632 PolarHBondContact O-N 3.36Å; N542-G632 VanDerWaalsContact O-N 3.12Å; P630-G632 PolarHBondContact O-N 2.74Å; P630-G632 VanDerWaalsContact O-N 3.09Å; G632-W1022 CarbonylContact C-O 3.55Å; G632-W1022 WeakPolarHBondContact CA-O 3.48Å
633	F	93.6	Very high	90.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.9	179.9	62.6	-86.2	0	0	0	112.6	Y479 L483 L539 L540 Y541 I635 F1019 G1021 W1022	Y479-F633 HydrophobicContact CD1-CD1 4.39Å; Y479-F633 AromaticContact CD1-CE1 3.99Å; Y479-F633 HydrophobicContact CD1-CE1 3.99Å; Y479-F633 HydrophobicContact CD1-CZ 4.12Å; Y479-F633 HydrophobicContact CE1-CB 4.48Å; Y479-F633 AromaticContact CE1-CD1 3.34Å; Y479-F633 HydrophobicContact CE1-CD1 3.34Å; Y479-F633 HydrophobicContact CE1-CD2 4.08Å; Y479-F633 AromaticContact CE1-CE1 3.35Å; Y479-F633 HydrophobicContact CE1-CE1 3.35Å; Y479-F633 HydrophobicContact CE1-CE2 4.11Å; Y479-F633 AromaticContact CE1-CG 3.71Å; Y479-F633 HydrophobicContact CE1-CG 3.71Å; Y479-F633 AromaticContact CE1-CZ 3.75Å; Y479-F633 HydrophobicContact CE1-CZ 3.75Å; Y479-F633 AromaticContact CZ-CD1 3.85Å; L483-F633 HydrophobicContact CD2-CE2 3.8Å; L483-F633 HydrophobicContact CD2-CZ 3.74Å; L539-F633 HydrophobicContact CD2-CD2 4.48Å; L540-F633 VanDerWaalsContact O-CA 3.22Å; L540-F633 WeakPolarHBondContact O-CA 3.46Å; Y541-F633 HydrophobicContact CD2-CB 4.14Å; F633-I635 HydrophobicContact CD2-CD1 4.48Å; F633-I635 HydrophobicContact CD2-CG1 3.96Å; F633-I635 HydrophobicContact CE2-CD1 4.02Å; F633-I635 HydrophobicContact CE2-CG1 3.99Å; F633-F1019 HydrophobicContact CE2-CD1 4.42Å; F633-F1019 AromaticContact CE2-CE1 3.96Å; F633-F1019 HydrophobicContact CE2-CE1 3.96Å; F633-F1019 AromaticContact CZ-CE1 3.88Å; F633-F1019 HydrophobicContact CZ-CE1 3.88Å; F633-G1021 CarbonylContact O-C 3.5Å; F633-G1021 WeakPolarHBondContact O-CA 3.48Å; F633-W1022 HydrophobicContact CD1-CB 4.27Å; F633-W1022 AromaticContact CD1-CE3 4Å; F633-W1022 HydrophobicContact CD1-CE3 4Å; F633-W1022 HydrophobicContact CE1-CB 3.67Å; F633-W1022 HydrophobicContact CE1-CD2 4.29Å; F633-W1022 AromaticContact CE1-CE3 3.75Å; F633-W1022 HydrophobicContact CE1-CE3 3.75Å; F633-W1022 HydrophobicContact CE1-CG 4.32Å; F633-W1022 HydrophobicContact CE2-CB 4.47Å; F633-W1022 HydrophobicContact CZ-CB 3.79Å; F633-W1022 PolarHBondContact N-O 2.84Å; F633-W1022 PolarHBondContact O-N 2.89Å
634	N	94.1	Very high	88.1	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.5	167	-66.5	106.7	0	0	0	110	L540 R584 L628 L629 F636	L540-N634 PolarHBondContact N-O 3.3Å; L540-N634 PolarHBondContact O-N 2.89Å; R584-N634 WeakPolarHBondContact CD-ND2 3.49Å; L628-N634 WeakPolarHBondContact CA-OD1 3.24Å; L628-N634 HydrophobicContact CD2-CB 4.03Å; L629-N634 WeakPolarHBondContact CD1-ND2 3.46Å; L629-N634 PolarHBondContact N-OD1 3.27Å; N634-F636 HydrophobicContact CB-CE2 3.68Å; N634-F636 HydrophobicContact CB-CZ 4.15Å
635	I	91.9	Very high	85	Confident	1 Å²	1	36 Å²	36	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.8	-178.5	-48.6	-173.7	0	0	0	109.5	L483 F488 F537 L539 L583 F633 F1019 N1020	L483-I635 HydrophobicContact CD2-CD1 4.12Å; F488-I635 HydrophobicContact CE1-CD1 4.19Å; F488-I635 HydrophobicContact CE2-CD1 4.49Å; F488-I635 HydrophobicContact CZ-CD1 3.62Å; F537-I635 HydrophobicContact CB-CG2 4.21Å; F537-I635 HydrophobicContact CD1-CG2 3.99Å; F537-I635 HydrophobicContact CG-CG2 4.43Å; L539-I635 HydrophobicContact CD1-CG2 4.38Å; L539-I635 HydrophobicContact CG-CG1 4.3Å; L583-I635 WeakPolarHBondContact CB-O 3.47Å; L583-I635 HydrophobicContact CD1-CB 4Å; L583-I635 HydrophobicContact CD1-CG2 3.56Å; L583-I635 HydrophobicContact CG-CG2 4.45Å; L583-I635 WeakPolarHBondContact CG-O 3.2Å; L583-I635 PolarHBondContact N-O 3.48Å; F633-I635 HydrophobicContact CD2-CD1 4.48Å; F633-I635 HydrophobicContact CD2-CG1 3.96Å; F633-I635 HydrophobicContact CE2-CD1 4.02Å; F633-I635 HydrophobicContact CE2-CG1 3.99Å; I635-F1019 HydrophobicContact CD1-CD1 4.17Å; I635-N1020 PolarHBondContact N-O 2.52Å
636	F	92.3	Very high	81.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	161.1	172.2	-57	-98.8	0	0	0	109.1	F537 I538 L540 K581 D582 L593 F623 P625 L628 N634	F537-F636 CarbonylContact C-O 3.53Å; F537-F636 VanDerWaalsContact CA-O 3.3Å; F537-F636 WeakPolarHBondContact CA-O 3.39Å; I538-F636 HydrophobicContact CB-CB 4.24Å; I538-F636 PolarHBondContact N-O 3.05Å; I538-F636 PolarHBondContact O-N 3.5Å; L540-F636 HydrophobicContact CB-CE2 4.32Å; L540-F636 HydrophobicContact CD1-CD2 3.79Å; L540-F636 HydrophobicContact CD1-CE2 3.55Å; L540-F636 HydrophobicContact CD1-CZ 4.32Å; L540-F636 HydrophobicContact CG-CD2 3.98Å; L540-F636 HydrophobicContact CG-CE2 4.01Å; K581-F636 CarbonylContact O-C 3.57Å; K581-F636 WeakPolarHBondContact O-CA 3.36Å; K581-F636 WeakPolarHBondContact O-CB 3.3Å; D582-F636 HydrophobicContact CB-CD1 4.01Å; D582-F636 HydrophobicContact CB-CE1 3.89Å; L593-F636 HydrophobicContact CD1-CD1 3.9Å; L593-F636 HydrophobicContact CD1-CE1 3.94Å; F623-F636 HydrophobicContact CE2-CD1 4.25Å; F623-F636 HydrophobicContact CE2-CG 4.48Å; P625-F636 HydrophobicContact CB-CE1 3.76Å; P625-F636 HydrophobicContact CB-CE2 3.92Å; P625-F636 HydrophobicContact CB-CZ 3.32Å; L628-F636 HydrophobicContact CD2-CE2 4.07Å; L628-F636 HydrophobicContact CD2-CZ 4.18Å; N634-F636 HydrophobicContact CB-CE2 3.68Å; N634-F636 HydrophobicContact CB-CZ 4.15Å
637	Y	89.8	Confident	78.9	Confident	16 Å²	16	40.2 Å²	40.2	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.2	176.9	175.5	-96.9	0	0	0	110.3	G535 I536 F537 I580 K581 K639 A1010 L1015	G535-Y637 WeakPolarHBondContact CA-OH 3.48Å; I536-Y637 CarbonylContact O-C 3.59Å; I536-Y637 WeakPolarHBondContact O-CA 3.39Å; F537-Y637 AromaticContact CD1-CD2 4Å; F537-Y637 HydrophobicContact CD1-CD2 4Å; F537-Y637 AromaticContact CE1-CD2 3.85Å; F537-Y637 HydrophobicContact CE1-CD2 3.85Å; F537-Y637 HydrophobicContact CZ-CD2 4.5Å; I580-Y637 CarbonylContact C-O 3.52Å; I580-Y637 VanDerWaalsContact CA-O 3.27Å; I580-Y637 WeakPolarHBondContact CA-O 3.11Å; K581-Y637 PolarHBondContact N-O 3.37Å; K581-Y637 PolarHBondContact O-N 3.4Å; Y637-K639 HydrophobicContact CE1-CB 3.75Å; Y637-K639 HydrophobicContact CE1-CD 4.29Å; Y637-K639 WeakPolarHBondContact OH-CD 3.44Å; Y637-A1010 HydrophobicContact CD2-CB 4.47Å; Y637-A1010 HydrophobicContact CE2-CB 3.88Å; Y637-L1015 HydrophobicContact CD1-CD1 3.65Å; Y637-L1015 HydrophobicContact CD1-CD2 4.43Å; Y637-L1015 HydrophobicContact CD2-CD1 4.37Å; Y637-L1015 HydrophobicContact CD2-CD2 3.69Å; Y637-L1015 HydrophobicContact CE1-CD1 3.72Å; Y637-L1015 HydrophobicContact CE2-CD1 4.42Å; Y637-L1015 HydrophobicContact CE2-CD2 3.97Å; Y637-L1015 HydrophobicContact CG-CD1 3.96Å; Y637-L1015 HydrophobicContact CG-CD2 3.91Å
638	F	90.8	Very high	75.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.9	-179.1	164.5	-111.1	0	0	0	111.2	Y513 I536 I538 F555 I557 I578 I579 I580 L621 I640	Y513-F638 HydrophobicContact CD2-CE1 4.05Å; Y513-F638 HydrophobicContact CE2-CD1 4.08Å; Y513-F638 AromaticContact CE2-CE1 3.55Å; Y513-F638 HydrophobicContact CE2-CE1 3.55Å; Y513-F638 HydrophobicContact CE2-CZ 4.28Å; Y513-F638 PolarHBondContact OH-O 3.25Å; I536-F638 HydrophobicContact CB-CD1 4.19Å; I536-F638 HydrophobicContact CD1-CD1 4.05Å; I536-F638 HydrophobicContact CD1-CE1 4.26Å; I536-F638 HydrophobicContact CG1-CD1 4.45Å; I536-F638 PolarHBondContact N-O 3.43Å; I536-F638 PolarHBondContact O-N 3.42Å; I538-F638 HydrophobicContact CD1-CB 3.63Å; I538-F638 HydrophobicContact CD1-CG 4.45Å; I538-F638 HydrophobicContact CG1-CB 4.18Å; F555-F638 AromaticContact CE2-CD1 3.99Å; F555-F638 HydrophobicContact CE2-CD1 3.99Å; F555-F638 HydrophobicContact CE2-CD2 4.43Å; F555-F638 AromaticContact CE2-CE1 3.86Å; F555-F638 HydrophobicContact CE2-CE1 3.86Å; F555-F638 HydrophobicContact CE2-CE2 4.31Å; F555-F638 HydrophobicContact CE2-CG 4.28Å; F555-F638 HydrophobicContact CE2-CZ 4.03Å; F555-F638 HydrophobicContact CZ-CB 4.48Å; F555-F638 HydrophobicContact CZ-CD1 4.09Å; F555-F638 HydrophobicContact CZ-CD2 4.03Å; F555-F638 HydrophobicContact CZ-CE1 4.34Å; F555-F638 HydrophobicContact CZ-CE2 4.28Å; F555-F638 AromaticContact CZ-CG 3.93Å; F555-F638 HydrophobicContact CZ-CG 3.93Å; F555-F638 HydrophobicContact CZ-CZ 4.44Å; I557-F638 HydrophobicContact CG2-CE1 4.14Å; I557-F638 HydrophobicContact CG2-CZ 3.77Å; I578-F638 HydrophobicContact CG2-CD2 4.15Å; I578-F638 HydrophobicContact CG2-CE2 3.73Å; I579-F638 VanDerWaalsContact O-CA 3.29Å; I579-F638 WeakPolarHBondContact O-CA 3.43Å; I580-F638 HydrophobicContact CG1-CD2 4.33Å; L621-F638 HydrophobicContact CD1-CD2 3.95Å; L621-F638 HydrophobicContact CD1-CE2 3.43Å; L621-F638 VanDerWaalsContact CD1-CE2 3.43Å; L621-F638 HydrophobicContact CD1-CZ 4.24Å; F638-I640 HydrophobicContact CE1-CG1 4.38Å; F638-I640 HydrophobicContact CE2-CG1 4.02Å; F638-I640 HydrophobicContact CZ-CD1 3.88Å; F638-I640 HydrophobicContact CZ-CG1 3.57Å
639	K	86.9	Confident	72.6	Confident	18 Å²	18	47.3 Å²	47.3	8%	0.078	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145	176.1	-174.3	172	179.2	171.3	0	112.4	Y513 E531 G533 I578 I579 Y637 I641	Y513-K639 WeakPolarHBondContact OH-CA 3.25Å; E531-K639 PolarHBondContact O-NZ 2.85Å; G533-K639 VanDerWaalsContact CA-NZ 3.29Å; G533-K639 WeakPolarHBondContact O-CE 3.45Å; G533-K639 PolarHBondContact O-NZ 3.29Å; I578-K639 WeakPolarHBondContact CA-O 3.13Å; I579-K639 PolarHBondContact N-O 3.21Å; I579-K639 PolarHBondContact O-N 3.43Å; Y637-K639 HydrophobicContact CE1-CB 3.75Å; Y637-K639 HydrophobicContact CE1-CD 4.29Å; Y637-K639 WeakPolarHBondContact OH-CD 3.44Å; K639-I641 HydrophobicContact CD-CG1 4.14Å; K639-I641 HydrophobicContact CG-CG1 4.09Å
640	I	86	Confident	69.3	Low	2 Å²	2	50.3 Å²	50.3	1%	0.01	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.1	167.2	-51.1	-178.8	0	0	0	108.1	Y513 L517 I557 F576 I578 F638	Y513-I640 HydrophobicContact CD1-CB 4.15Å; Y513-I640 HydrophobicContact CD1-CG1 4.45Å; Y513-I640 HydrophobicContact CD2-CD1 3.97Å; Y513-I640 HydrophobicContact CD2-CG1 4.16Å; Y513-I640 HydrophobicContact CE1-CB 4.32Å; Y513-I640 HydrophobicContact CE2-CG1 4.33Å; Y513-I640 HydrophobicContact CG-CB 4.37Å; Y513-I640 HydrophobicContact CG-CD1 3.98Å; Y513-I640 HydrophobicContact CG-CG1 4.23Å; L517-I640 HydrophobicContact CD1-CD1 4.37Å; L517-I640 HydrophobicContact CD2-CG2 3.95Å; I557-I640 HydrophobicContact CD1-CD1 4.39Å; F576-I640 HydrophobicContact CB-CG2 4.25Å; F576-I640 HydrophobicContact CD1-CG2 4.31Å; I578-I640 HydrophobicContact CG1-CG1 4.43Å; F638-I640 HydrophobicContact CE1-CG1 4.38Å; F638-I640 HydrophobicContact CE2-CG1 4.02Å; F638-I640 HydrophobicContact CZ-CD1 3.88Å; F638-I640 HydrophobicContact CZ-CG1 3.57Å
641	I	80.4	Confident	66	Low	61 Å²	61	55.3 Å²	55.3	31%	0.313	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.8	176.2	-58.1	179.5	0	0	0	108.4	F576 H577 I579 K639	F576-I641 CarbonylContact C-O 3.54Å; F576-I641 WeakPolarHBondContact CA-O 3.44Å; H577-I641 HydrophobicContact CB-CB 4.37Å; H577-I641 PolarHBondContact N-O 3.12Å; H577-I641 PolarHBondContact O-N 3.38Å; I579-I641 HydrophobicContact CD1-CD1 3.47Å; I579-I641 VanDerWaalsContact CD1-CD1 3.47Å; I579-I641 HydrophobicContact CD1-CG1 4.39Å; I579-I641 HydrophobicContact CG1-CD1 4.34Å; K639-I641 HydrophobicContact CD-CG1 4.14Å; K639-I641 HydrophobicContact CG-CG1 4.09Å
642	H	72.6	Confident	62.7	Low	87 Å²	87	61.7 Å²	61.7	40%	0.403	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.6	168.3	-172.7	-70.9	0	0	0	108.7	F576 S644	F576-H642 AromaticContact CE1-CD2 3.6Å; H642-S644 VanDerWaalsContact C-N 3.32Å; H642-S644 PolarHBondContact ND1-N 2.82Å; H642-S644 PolarHBondContact O-N 3.4Å
643	S	66.3	Low	59.4	Low	55 Å²	55	67.3 Å²	67.3	39%	0.385	44%	0.439	S	S	.	.			trans	-72.4	90.2	168.6	57.4	0	0	0	0	108.5	N574 K575 T645	N574-S643 PolarHBondContact O-OG 3.34Å; K575-S643 VanDerWaalsContact C-OG 3.22Å; K575-S643 WeakPolarHBondContact CA-OG 3.34Å; K575-S643 PolarHBondContact O-N 2.94Å; K575-S643 PolarHBondContact O-OG 3.37Å; S643-T645 PolarHBondContact O-N 3.13Å
644	S	53.7	Low	56.3	Low	91 Å²	91	71.9 Å²	71.9	64%	0.636	47%	0.471	S	S	*	.			trans	-69.4	124.6	162.5	46.5	0	0	0	0	107.3	H642 S646	H642-S644 VanDerWaalsContact C-N 3.32Å; H642-S644 PolarHBondContact ND1-N 2.82Å; H642-S644 PolarHBondContact O-N 3.4Å; S644-S646 PolarHBondContact O-N 3.13Å
645	T	32.3	Very low	53.1	Low	152 Å²	152	77.4 Å²	77.4	93%	0.933	51%	0.507	S	S	*	.			trans	-63.1	82.9	170.5	19.9	0	0	0	0	109.5	S643	S643-T645 PolarHBondContact O-N 3.13Å
646	S	29.5	Very low	49.8	Very low	112 Å²	112	87.8 Å²	87.8	78%	0.783	55%	0.552	S	S	*	*			trans	-79.7	129.4	153.1	61.6	0	0	0	0	107.9	S644	S644-S646 PolarHBondContact O-N 3.13Å
647	S	27.6	Very low	46.8	Very low	108 Å²	108	93.1 Å²	93.1	76%	0.755	59%	0.59	S	S	*	*			trans	-54.5	136.1	-170.5	46.5	0	0	0	0	114.8
648	S	26.8	Very low	43.8	Very low	111 Å²	111	97.5 Å²	97.5	78%	0.776	62%	0.622	S	S	*	*			trans	56.7	96	150	63.2	0	0	0	0	118.6
649	S	27.8	Very low	40.5	Very low	116 Å²	116	102.9 Å²	102.9	81%	0.811	66%	0.66	S	S	*	*				-162.3	120.3	118.9	52	0	0	0	0	110.2	S651	S649-S651 PolarHBondContact O-N 3.46Å
650	S	26.2	Very low	37.6	Very low	122 Å²	122	107.8 Å²	107.8	85%	0.853	70%	0.697	S	S	*	*			trans	-68.7	108.5	173.7	50.6	0	0	0	0	110
651	S	26.6	Very low	34.6	Very low	109 Å²	109	113 Å²	113	76%	0.762	73%	0.733	S	S	*	*			trans	-125.5	86.3	156.5	63.4	0	0	0	0	108.8	S649 S653	S649-S651 PolarHBondContact O-N 3.46Å; S651-S653 PolarHBondContact O-N 2.98Å; S651-S653 VanDerWaalsContact O-N 3.12Å
652	T	27.1	Very low	31.9	Very low	134 Å²	134	116.2 Å²	116.2	82%	0.822	76%	0.756	S	S	*	*			trans	-59.8	103.8	165.1	14.9	0	0	0	0	109.2	S654	T652-S654 PolarHBondContact O-N 3.37Å
653	S	25.7	Very low	29.5	Very low	117 Å²	117	116.9 Å²	116.9	82%	0.818	77%	0.77	S	S	*	*			trans	-81.5	88.8	161.8	56.8	0	0	0	0	108.4	S651	S651-S653 PolarHBondContact O-N 2.98Å; S651-S653 VanDerWaalsContact O-N 3.12Å
654	S	27	Very low	27.5	Very low	97 Å²	97	119.1 Å²	119.1	68%	0.678	79%	0.786	S	S	*	*			trans	-70.9	139.3	167.6	46.3	0	0	0	0	110.1	T652 F656	T652-S654 PolarHBondContact O-N 3.37Å; S654-F656 PolarHBondContact O-N 3.21Å
655	P	28.4	Very low	26	Very low	117 Å²	117	119.5 Å²	119.5	76%	0.76	79%	0.789	S	S	*	*			trans	-70.6	129.7	174.9	27.6	-31.4	0	0	0	109.8	S657	P655-S657 PolarHBondContact O-N 3.43Å; P655-S657 VanDerWaalsContact O-N 3.07Å
656	F	22.9	Very low	25.7	Very low	219 Å²	219	117.9 Å²	117.9	96%	0.961	78%	0.779	S	S	*	*			trans	-37.4	111.6	169.3	-90.5	-103.2	0	0	0	111.6	S654	S654-F656 PolarHBondContact O-N 3.21Å
657	S	28.9	Very low	25.3	Very low	112 Å²	112	117.3 Å²	117.3	78%	0.783	78%	0.775	S	S	*	*			trans	-118.2	126	157.6	51.5	0	0	0	0	107.6	P655	P655-S657 PolarHBondContact O-N 3.43Å; P655-S657 VanDerWaalsContact O-N 3.07Å
658	S	26.6	Very low	25.1	Very low	107 Å²	107	116.8 Å²	116.8	75%	0.748	77%	0.771	S	S	*	*			trans	-58.5	128	-173.9	48	0	0	0	0	113.3
659	S	21.9	Very low	24.9	Very low	114 Å²	114	116.2 Å²	116.2	80%	0.797	77%	0.767	S	S	*	*			trans	7.8	111.4	143	59.2	0	0	0	0	118
660	S	26.2	Very low	24.6	Very low	121 Å²	121	115 Å²	115	85%	0.846	76%	0.759	S	S	*	*			trans	-146.9	119.7	138	60.3	0	0	0	0	109.8
661	S	21.5	Very low	24.5	Very low	110 Å²	110	114.7 Å²	114.7	77%	0.769	75%	0.752	S	S	*	*			trans	-70.5	136.6	-179	48.4	0	0	0	0	114.6
662	T	24.9	Very low	24.3	Very low	129 Å²	129	114.4 Å²	114.4	79%	0.791	75%	0.75	S	S	*	*			trans	179.2	97.8	139.7	21.7	0	0	0	0	106.6
663	S	22.4	Very low	24.6	Very low	101 Å²	101	113.2 Å²	113.2	71%	0.706	74%	0.744	S	S	*	*				76.7	137.2	85	70.2	0	0	0	0	115.3
664	S	23.8	Very low	24.4	Very low	102 Å²	102	112 Å²	112	71%	0.713	74%	0.736	S	S	*	*			trans	85.3	96.1	164.6	86.7	0	0	0	0	115.5
665	S	22.4	Very low	24.1	Very low	99 Å²	99	112.1 Å²	112.1	69%	0.692	74%	0.737	S	S	*	*				83.4	128.6	91.6	64.6	0	0	0	0	110.3
666	T	24.6	Very low	24	Very low	118 Å²	118	112.1 Å²	112.1	72%	0.724	74%	0.735	S	S	*	*				-173.8	145.9	50.6	-18.1	0	0	0	0	107.8
667	S	22.6	Very low	23.9	Very low	100 Å²	100	106.3 Å²	106.3	70%	0.699	72%	0.721	S	S	*	*			trans	37	135	136.8	64	0	0	0	0	119.2
668	S	23.2	Very low	23.8	Very low	97 Å²	97	105.8 Å²	105.8	68%	0.678	72%	0.718	S	S	*	*			cis	170.4	157.9	19.4	40.2	0	0	0	0	106.9
669	S	22.2	Very low	23.6	Very low	99 Å²	99	105.3 Å²	105.3	69%	0.692	71%	0.714	S	S	*	*			trans	52.2	130.7	135.9	65.7	0	0	0	0	118.2
670	S	22.6	Very low	23.6	Very low	92 Å²	92	104.7 Å²	104.7	64%	0.643	71%	0.71	S	S	*	*			cis	171.6	149.2	18.9	39.5	0	0	0	0	107.2
671	T	22.8	Very low	23.6	Very low	114 Å²	114	105.2 Å²	105.2	70%	0.699	71%	0.708	S	S	*	*			trans	60	109	139.3	50.1	0	0	0	0	120.5
672	S	22.3	Very low	23.6	Very low	104 Å²	104	104.5 Å²	104.5	73%	0.727	70%	0.703	S	S	*	*				52.1	166.6	114.2	2.8	0	0	0	0	120.7
673	P	32.9	Very low	23.5	Very low	108 Å²	108	103.2 Å²	103.2	70%	0.701	70%	0.699	S	S	*	*			cis	-135.8	170.2	-25.3	33.1	-13.6	0	0	0	113.8
674	S	21.6	Very low	23.6	Very low	92 Å²	92	105.3 Å²	105.3	64%	0.643	71%	0.708	S	S	*	*			trans	63.8	129.6	132.4	63.5	0	0	0	0	121.8
675	S	22.3	Very low	23.4	Very low	99 Å²	99	105.6 Å²	105.6	69%	0.692	71%	0.71	S	S	*	*			trans	74.5	134.4	134.8	69.5	0	0	0	0	115.4
676	T	24.5	Very low	23.5	Very low	117 Å²	117	106.4 Å²	106.4	72%	0.718	72%	0.716	S	S	*	*			cis	-171.5	142.8	29.6	-17.3	0	0	0	0	107.9
677	S	22.2	Very low	23.3	Very low	98 Å²	98	106 Å²	106	69%	0.685	72%	0.718	S	S	*	*			trans	57.2	147.2	136	64.1	0	0	0	0	122.8
678	S	25.4	Very low	23.3	Very low	101 Å²	101	106.6 Å²	106.6	71%	0.706	72%	0.722	S	S	*	*			trans	94.2	95.5	149.6	75.2	0	0	0	0	114.7
679	S	23.4	Very low	23.2	Very low	96 Å²	96	106.4 Å²	106.4	67%	0.671	72%	0.721	S	S	*	*				80.7	97.3	88.4	72.2	0	0	0	0	110.2
680	S	21.6	Very low	23.2	Very low	101 Å²	101	108.1 Å²	108.1	71%	0.706	73%	0.727	S	S	*	*				69	107.4	97.8	70.3	0	0	0	0	113.6
681	T	25.9	Very low	23.3	Very low	132 Å²	132	108.7 Å²	108.7	81%	0.81	73%	0.731	S	S	*	*			trans	161.9	98.9	137.9	38.3	0	0	0	0	106.4
682	S	22.1	Very low	23.2	Very low	96 Å²	96	108.4 Å²	108.4	67%	0.671	73%	0.734	S	S	*	*				63.5	108.8	92.1	69.7	0	0	0	0	113.9
683	S	21.7	Very low	23.4	Very low	101 Å²	101	108.6 Å²	108.6	71%	0.706	74%	0.735	S	S	*	*			trans	53.8	110.8	138.5	61.1	0	0	0	0	118.4
684	T	25.2	Very low	22.9	Very low	145 Å²	145	108.5 Å²	108.5	89%	0.89	74%	0.737	S	S	*	*				-162.5	130.5	116.5	17.6	0	0	0	0	111.6
685	S	20.1	Very low	23.2	Very low	108 Å²	108	111.3 Å²	111.3	76%	0.755	75%	0.75	S	S	*	*			trans	-57.7	135.8	159.8	47.6	0	0	0	0	112.9
686	S	24.1	Very low	23.3	Very low	116 Å²	116	112.1 Å²	112.1	81%	0.811	76%	0.756	S	S	*	*			trans	-172.9	129	136.7	51.3	0	0	0	0	112
687	S	20	Very low	23.4	Very low	111 Å²	111	111.8 Å²	111.8	78%	0.776	76%	0.756	S	S	*	*			trans	-50.8	145.6	163.6	50.3	0	0	0	0	116.1
688	S	22.7	Very low	23.5	Very low	111 Å²	111	112.1 Å²	112.1	78%	0.776	76%	0.759	S	S	*	*			trans	156.4	116.9	142.6	59	0	0	0	0	107.1
689	S	21.4	Very low	23.5	Very low	94 Å²	94	112.1 Å²	112.1	66%	0.657	76%	0.759	S	S	*	*				123.5	150.6	59.9	56.3	0	0	0	0	107.4
690	T	22.3	Very low	23.5	Very low	135 Å²	135	112.5 Å²	112.5	83%	0.828	76%	0.761	S	S	*	*			trans	69.1	133.9	161.6	50.5	0	0	0	0	116.2
691	S	24.4	Very low	23.6	Very low	103 Å²	103	113.7 Å²	113.7	72%	0.72	76%	0.764	S	S	*	*			cis	-173.8	134	27.9	47.6	0	0	0	0	112.3
692	S	21.5	Very low	23.5	Very low	108 Å²	108	112.5 Å²	112.5	76%	0.755	76%	0.761	S	S	*	*				51.8	124.1	128	72.7	0	0	0	0	124.2
693	S	27	Very low	23.5	Very low	108 Å²	108	113.6 Å²	113.6	76%	0.755	77%	0.769	S	S	*	*				166.7	100.5	125.9	57.5	0	0	0	0	109
694	S	22.2	Very low	23.7	Very low	107 Å²	107	114.4 Å²	114.4	75%	0.748	77%	0.774	S	S	*	*				66	103.5	83.8	70.7	0	0	0	0	116.2
695	T	27.5	Very low	23.7	Very low	150 Å²	150	113.5 Å²	113.5	92%	0.92	77%	0.774	S	S	*	*				-173.4	139.2	125.4	15.6	0	0	0	0	112.5
696	S	23.2	Very low	24	Very low	116 Å²	116	113.6 Å²	113.6	81%	0.811	78%	0.775	S	S	*	*			trans	-88	-173.2	-170.6	-36.9	0	0	0	0	112.1
697	P	28.6	Very low	24	Very low	111 Å²	111	114 Å²	114	72%	0.721	78%	0.778	S	S	*	*			cis	-144.7	171.9	12.5	40	-18.4	0	0	0	119.1
698	S	23.7	Very low	24.3	Very low	105 Å²	105	114 Å²	114	73%	0.734	78%	0.777	S	S	*	*			trans	55.7	138.5	144.1	59.6	0	0	0	0	120.1
699	S	25.2	Very low	24.5	Very low	101 Å²	101	114.1 Å²	114.1	71%	0.706	78%	0.778	S	S	*	*			cis	-176	138.7	6.1	40.8	0	0	0	0	107.6
700	S	22.5	Very low	24.7	Very low	103 Å²	103	114.7 Å²	114.7	72%	0.72	78%	0.783	S	S	*	*			trans	29.6	131.9	146	61	0	0	0	0	119.3
701	T	24	Very low	24.9	Very low	127 Å²	127	113.3 Å²	113.3	78%	0.779	78%	0.779	S	S	*	*			cis	-177.5	155.9	44.8	-20.8	0	0	0	0	110.3
702	S	24.4	Very low	25	Very low	106 Å²	106	116.8 Å²	116.8	74%	0.741	79%	0.785	S	S	*	*			trans	67	106.6	151.1	60.7	0	0	0	0	121.4
703	S	21.7	Very low	25	Very low	120 Å²	120	120.3 Å²	120.3	84%	0.839	79%	0.79	S	S	*	*			trans	-29.7	125.9	146.6	51.5	0	0	0	0	118
704	S	26.2	Very low	25.1	Very low	117 Å²	117	120.7 Å²	120.7	82%	0.818	79%	0.788	S	S	*	*			trans	-147.6	95.4	139.1	53.8	0	0	0	0	109.1	S706	S704-S706 PolarHBondContact O-N 3.11Å; S704-S706 VanDerWaalsContact O-N 3.17Å
705	S	25.1	Very low	25.3	Very low	127 Å²	127	122.2 Å²	122.2	89%	0.888	79%	0.793	S	S	*	*			trans	-70.7	101.2	172.2	51.8	0	0	0	0	109.4
706	S	25.9	Very low	25.7	Very low	109 Å²	109	120.7 Å²	120.7	76%	0.762	78%	0.784	S	S	*	*			trans	-93.6	117.7	161.4	48.1	0	0	0	0	108	S704 S708	S704-S706 PolarHBondContact O-N 3.11Å; S704-S706 VanDerWaalsContact O-N 3.17Å; S706-S708 PolarHBondContact O-N 3.34Å; S706-S708 VanDerWaalsContact O-N 3.1Å
707	S	25.2	Very low	26.5	Very low	126 Å²	126	120 Å²	120	88%	0.881	78%	0.776	S	S	*	*			trans	-67.5	97.3	175.1	42.9	0	0	0	0	109.9	S709	S707-S709 PolarHBondContact O-N 2.82Å
708	S	26.6	Very low	27.4	Very low	109 Å²	109	124.6 Å²	124.6	76%	0.762	79%	0.785	S	S	*	*			trans	-78.6	104.6	160.5	47.4	0	0	0	0	108.3	S706 S710	S706-S708 PolarHBondContact O-N 3.34Å; S706-S708 VanDerWaalsContact O-N 3.1Å; S708-S710 VanDerWaalsContact C-N 3.32Å; S708-S710 PolarHBondContact O-N 2.94Å
709	S	26.3	Very low	29	Very low	114 Å²	114	121.4 Å²	121.4	80%	0.797	76%	0.763	S	S	*	*			trans	-63.1	95.4	165.1	57.7	0	0	0	0	108.3	S707 S711	S707-S709 PolarHBondContact O-N 2.82Å; S709-S711 PolarHBondContact O-N 2.71Å; S709-S711 VanDerWaalsContact O-N 3.14Å
710	S	26.1	Very low	31.3	Very low	107 Å²	107	118.8 Å²	118.8	75%	0.748	74%	0.743	S	S	*	*			trans	-68.5	104.5	162.8	44.9	0	0	0	0	107	S708 M712	S708-S710 VanDerWaalsContact C-N 3.32Å; S708-S710 PolarHBondContact O-N 2.94Å; S710-M712 PolarHBondContact O-N 3.03Å; S710-M712 VanDerWaalsContact O-N 3.1Å
711	S	26.3	Very low	34.1	Very low	106 Å²	106	118.6 Å²	118.6	74%	0.741	73%	0.733	S	S	*	*			trans	-61.6	110.3	162.3	28.8	0	0	0	0	106.5	S709 E713	S709-S711 PolarHBondContact O-N 2.71Å; S709-S711 VanDerWaalsContact O-N 3.14Å; S711-E713 PolarHBondContact O-N 3.14Å
712	M	24.9	Very low	37.1	Very low	175 Å²	175	113 Å²	113	86%	0.862	70%	0.698	S	S	*	*			trans	-61.3	101.2	166.4	-79.3	172.7	81.1	0	0	107.3	S710 T714	S710-M712 PolarHBondContact O-N 3.03Å; S710-M712 VanDerWaalsContact O-N 3.1Å; M712-T714 VanDerWaalsContact C-N 3.27Å; M712-T714 PolarHBondContact O-N 3.11Å
713	E	23.5	Very low	40	Very low	183 Å²	183	113 Å²	113	86%	0.855	69%	0.689	S	S	*	*			trans	-65.5	92.7	161.2	-77.8	-177.1	154	0	0	107.3	S711 T715	S711-E713 PolarHBondContact O-N 3.14Å; E713-T715 PolarHBondContact O-N 3.37Å
714	T	28.1	Very low	43.2	Very low	115 Å²	115	108.7 Å²	108.7	71%	0.706	66%	0.658	S	S	*	*			trans	-57.2	119.4	160.9	22.2	0	0	0	0	107.5	M712 T716	M712-T714 VanDerWaalsContact C-N 3.27Å; M712-T714 PolarHBondContact O-N 3.11Å; T714-T716 PolarHBondContact O-N 3.44Å
715	T	27	Very low	46	Very low	139 Å²	139	110.9 Å²	110.9	85%	0.853	66%	0.66	S	S	*	*			trans	-60.6	83.3	173.3	38.9	0	0	0	0	109.4	E713 P717	E713-T715 PolarHBondContact O-N 3.37Å; T715-P717 WeakPolarHBondContact O-CD 3.31Å
716	T	34.8	Very low	49.2	Very low	119 Å²	119	105.6 Å²	105.6	73%	0.73	62%	0.623	S	S	*	*			trans	-59.5	124.2	176.6	40.9	0	0	0	0	109.3	T714 K718	T714-T716 PolarHBondContact O-N 3.44Å; T716-K718 PolarHBondContact O-N 3.36Å
717	P	39.6	Very low	52.4	Low	101 Å²	101	100.5 Å²	100.5	66%	0.656	59%	0.587	S	S	*	*			trans	-50.8	141.4	169.9	-24.2	32.6	0	0	0	109.5	T715 S719	T715-P717 WeakPolarHBondContact O-CD 3.31Å; P717-S719 PolarHBondContact O-N 3.1Å
718	K	49.5	Very low	55.7	Low	208 Å²	208	98.4 Å²	98.4	90%	0.904	56%	0.562	S	S	*	*			trans	-43.3	113.8	177.8	-81.5	-179.5	178	173.9	0	109	T716 P720	T716-K718 PolarHBondContact O-N 3.36Å; K718-P720 WeakPolarHBondContact O-CD 3.25Å
719	S	57	Low	59	Low	38 Å²	38	93.8 Å²	93.8	27%	0.266	53%	0.528	S	S	.	.			trans	-51.9	115.1	-178.6	61.4	0	0	0	0	109.6	P717 I721 K730	P717-S719 PolarHBondContact O-N 3.1Å; S719-I721 PolarHBondContact O-N 3.34Å; S719-K730 VanDerWaalsContact OG-CE 3.26Å; S719-K730 WeakPolarHBondContact OG-CE 3.18Å; S719-K730 PolarHBondContact OG-NZ 3.03Å
720	P	71.9	Confident	62.2	Low	45 Å²	45	91.7 Å²	91.7	29%	0.292	51%	0.505	S	S	.	.			trans	-60.7	131	177.9	23.7	-30.6	0	0	0	108.4	K718	K718-P720 WeakPolarHBondContact O-CD 3.25Å
721	I	82.2	Confident	65.4	Low	99 Å²	99	86.6 Å²	86.6	51%	0.508	47%	0.469	S	S	.	.			trans	-91.4	115.4	168.4	-63.7	174.2	0	0	0	104.8	S719 I723 K728	S719-I721 PolarHBondContact O-N 3.34Å; I721-I723 HydrophobicContact CG2-CG1 4.29Å; I721-K728 HydrophobicContact CG2-CB 3.74Å; I721-K728 HydrophobicContact CG2-CD 4.29Å; I721-K728 HydrophobicContact CG2-CG 4.17Å
722	I	87.2	Confident	68.5	Low	9 Å²	9	82.7 Å²	82.7	5%	0.046	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.5	177.1	-68.9	160.6	0	0	0	107.3	K728 L729 L820	I722-K728 CarbonylContact O-C 3.48Å; I722-K728 WeakPolarHBondContact O-CA 3.12Å; I722-L729 HydrophobicContact CB-CB 4.4Å; I722-L729 PolarHBondContact N-O 2.88Å; I722-L729 PolarHBondContact O-N 3.26Å; I722-L820 HydrophobicContact CD1-CB 4.47Å; I722-L820 HydrophobicContact CD1-CD1 4.49Å; I722-L820 HydrophobicContact CD1-CD2 3.62Å; I722-L820 HydrophobicContact CD1-CG 3.53Å
723	I	85.3	Confident	71.4	Confident	106 Å²	106	76.4 Å²	76.4	54%	0.544	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.7	-173.7	-54.3	-175.9	0	0	0	107.4	I721 K728 I749	I721-I723 HydrophobicContact CG2-CG1 4.29Å; I723-K728 HydrophobicContact CG1-CG 4.25Å; I723-I749 HydrophobicContact CG2-CD1 3.95Å
724	T	88.6	Confident	74.2	Confident	31 Å²	31	69 Å²	69	19%	0.19	38%	0.376	C	S	.	.			trans	-95.7	-179.4	165.5	72.3	0	0	0	0	109.2	T726 M727 L729 I749	T724-T726 PolarHBondContact O-N 3.44Å; T724-M727 PolarHBondContact N-O 3.16Å; T724-M727 WeakPolarHBondContact OG1-CB 3.35Å; T724-M727 PolarHBondContact OG1-N 2.87Å; T724-M727 PolarHBondContact OG1-O 3.45Å; T724-L729 HydrophobicContact CG2-CD1 3.96Å; T724-I749 WeakPolarHBondContact O-CD1 3.42Å
725	D	85.4	Confident	76.6	Confident	162 Å²	162	68 Å²	68	87%	0.866	37%	0.366	S	S	*	.	S	Bend	trans	-57.6	-35.1	180	-64	-26.2	0	0	0	113
726	T	91.1	Very high	78.9	Confident	17 Å²	17	66.7 Å²	66.7	10%	0.104	35%	0.353	C	S	.	.	S	Bend	trans	-116.4	-22.2	-173.5	52.2	0	0	0	0	113.2	T724 H748 I749 D983 E984 L987	T724-T726 PolarHBondContact O-N 3.44Å; T726-H748 PolarHBondContact O-CD2 3.47Å; T726-I749 WeakPolarHBondContact O-CB 3.42Å; T726-I749 WeakPolarHBondContact O-CG1 3.49Å; T726-I749 PolarHBondContact O-N 2.88Å; T726-D983 WeakPolarHBondContact CB-OD1 3.47Å; T726-D983 PolarHBondContact OG1-OD1 2.73Å; T726-D983 PolarHBondContact OG1-OD2 2.82Å; T726-E984 HydrophobicContact CG2-CG 4.45Å; T726-L987 HydrophobicContact CG2-CD1 3.71Å
727	M	93.4	Very high	80.2	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.2	-167.3	-58.8	-62.8	-74.1	0	0	113.3	T724 L729 M746 K747 H748 F922 F982	T724-M727 PolarHBondContact N-O 3.16Å; T724-M727 WeakPolarHBondContact OG1-CB 3.35Å; T724-M727 PolarHBondContact OG1-N 2.87Å; T724-M727 PolarHBondContact OG1-O 3.45Å; M727-L729 HydrophobicContact CB-CD2 3.92Å; M727-L729 HydrophobicContact CB-CG 4.39Å; M727-M746 HydrophobicContact CE-CB 3.64Å; M727-K747 CarbonylContact C-O 3.54Å; M727-H748 HydrophobicContact CE-CB 4.38Å; M727-H748 WeakPolarHBondContact SD-CA 3.48Å; M727-H748 HydrophobicContact SD-CB 3.77Å; M727-F922 HydrophobicContact SD-CE1 3.94Å; M727-F982 HydrophobicContact CE-CD1 4.19Å; M727-F982 HydrophobicContact CE-CE1 4.11Å
728	K	94.9	Very high	81.4	Confident	82 Å²	82	71.4 Å²	71.4	36%	0.357	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.1	162.2	-65.8	-176.6	178.9	-179.9	0	109	I721 I722 I723 M746 K747 I749	I721-K728 HydrophobicContact CG2-CB 3.74Å; I721-K728 HydrophobicContact CG2-CD 4.29Å; I721-K728 HydrophobicContact CG2-CG 4.17Å; I722-K728 CarbonylContact O-C 3.48Å; I722-K728 WeakPolarHBondContact O-CA 3.12Å; I723-K728 HydrophobicContact CG1-CG 4.25Å; K728-M746 CarbonylContact O-C 3.48Å; K728-M746 WeakPolarHBondContact O-CA 3.37Å; K728-K747 HydrophobicContact CB-CB 4.28Å; K728-K747 PolarHBondContact N-O 2.76Å; K728-K747 PolarHBondContact O-N 3.42Å; K728-I749 HydrophobicContact CG-CD1 4.43Å; K728-I749 HydrophobicContact CG-CG1 4.01Å
729	L	95.2	Very high	82.5	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.063	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.4	-174	-53.6	179.7	0	0	0	110.1	I722 T724 M727 L744 I745 M746 L820	I722-L729 HydrophobicContact CB-CB 4.4Å; I722-L729 PolarHBondContact N-O 2.88Å; I722-L729 PolarHBondContact O-N 3.26Å; T724-L729 HydrophobicContact CG2-CD1 3.96Å; M727-L729 HydrophobicContact CB-CD2 3.92Å; M727-L729 HydrophobicContact CB-CG 4.39Å; L729-L744 HydrophobicContact CB-CD1 4.36Å; L729-L744 HydrophobicContact CD2-CD2 4.36Å; L729-I745 CarbonylContact C-O 3.45Å; L729-I745 WeakPolarHBondContact CA-O 3.21Å; L729-M746 HydrophobicContact CD2-CB 4.07Å; L729-M746 HydrophobicContact CD2-CG 3.78Å; L729-L820 HydrophobicContact CB-CD1 4.21Å; L729-L820 HydrophobicContact CB-CD2 4.11Å; L729-L820 HydrophobicContact CD1-CD1 3.96Å
730	K	94.3	Very high	83.7	Confident	70 Å²	70	65.1 Å²	65.1	30%	0.304	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	118.8	173.7	174.5	172	171.7	169.2	0	110.3	S719 I745	S719-K730 VanDerWaalsContact OG-CE 3.26Å; S719-K730 WeakPolarHBondContact OG-CE 3.18Å; S719-K730 PolarHBondContact OG-NZ 3.03Å; K730-I745 HydrophobicContact CB-CB 4.35Å; K730-I745 PolarHBondContact N-O 3.47Å; K730-I745 PolarHBondContact O-N 2.91Å
731	L	92.5	Very high	84.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.7	171.2	-168.4	60	0	0	0	110.3	I742 R799 D804 A806 V818 L820	L731-I742 HydrophobicContact CD1-CG2 3.61Å; L731-R799 PolarHBondContact O-NH1 2.87Å; L731-R799 PolarHBondContact O-NH2 3.47Å; L731-D804 HydrophobicContact CD2-CB 4.33Å; L731-A806 HydrophobicContact CD1-CB 4.37Å; L731-A806 HydrophobicContact CD2-CB 3.59Å; L731-A806 HydrophobicContact CG-CB 4.05Å; L731-V818 HydrophobicContact CD1-CB 4.37Å; L731-V818 HydrophobicContact CD1-CG1 3.85Å; L731-L820 HydrophobicContact CB-CB 4.44Å; L731-L820 HydrophobicContact CB-CD2 4.12Å; L731-L820 HydrophobicContact CD2-CB 4.47Å
732	S	91.2	Very high	84.7	Confident	25 Å²	25	59 Å²	59	18%	0.175	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	145.7	-179.8	169.1	0	0	0	0	110.2	Q743	S732-Q743 PolarHBondContact N-O 3.42Å; S732-Q743 WeakPolarHBondContact O-CG 3.39Å; S732-Q743 PolarHBondContact O-N 3.24Å; S732-Q743 PolarHBondContact OG-NE2 3.39Å
733	Y	86.8	Confident	84.9	Confident	43 Å²	43	59.5 Å²	59.5	17%	0.169	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.4	173.3	176.7	-118.1	0	0	0	108.3	N735 K740 I808	Y733-N735 HydrophobicContact CD1-CB 4.03Å; Y733-N735 HydrophobicContact CE1-CB 3.79Å; Y733-K740 HydrophobicContact CE2-CB 4.44Å; Y733-I808 HydrophobicContact CD2-CD1 3.99Å; Y733-I808 HydrophobicContact CD2-CG1 4.4Å; Y733-I808 HydrophobicContact CE2-CD1 3.78Å; Y733-I808 HydrophobicContact CE2-CG1 4.14Å
734	N	83	Confident	85.3	Confident	28 Å²	28	54.7 Å²	54.7	15%	0.15	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.8	171.9	-172.1	-19.2	0	0	0	108.3	N736 K740 F741	N734-N736 WeakPolarHBondContact OD1-CB 3.42Å; N734-N736 PolarHBondContact OD1-N 3.1Å; N734-N736 VanDerWaalsContact OD1-N 3.09Å; N734-N736 PolarHBondContact OD1-OD1 3.31Å; N734-K740 VanDerWaalsContact O-CA 3.29Å; N734-K740 WeakPolarHBondContact O-CA 3.22Å; N734-F741 HydrophobicContact CB-CD1 4.31Å; N734-F741 HydrophobicContact CB-CD2 4.16Å; N734-F741 HydrophobicContact CB-CE1 4.08Å; N734-F741 HydrophobicContact CB-CE2 3.93Å; N734-F741 HydrophobicContact CB-CG 4.36Å; N734-F741 HydrophobicContact CB-CZ 3.91Å; N734-F741 PolarHBondContact N-O 3.23Å; N734-F741 WeakPolarHBondContact ND2-CE1 3.33Å; N734-F741 WeakPolarHBondContact ND2-CZ 3.45Å; N734-F741 PolarHBondContact O-N 3.06Å
735	N	78.3	Confident	85.6	Confident	94 Å²	94	54.7 Å²	54.7	50%	0.503	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	26.6	-177.2	-162.8	23.6	0	0	0	113.1	Y733 N737 K740	Y733-N735 HydrophobicContact CD1-CB 4.03Å; Y733-N735 HydrophobicContact CE1-CB 3.79Å; N735-N737 PolarHBondContact O-N 2.77Å; N735-K740 WeakPolarHBondContact OD1-CE 3.46Å
736	N	75.5	Confident	86	Confident	110 Å²	110	47 Å²	47	59%	0.588	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.9	175.8	-71.5	-4.8	0	0	0	110.1	N734 N738 N739	N734-N736 WeakPolarHBondContact OD1-CB 3.42Å; N734-N736 PolarHBondContact OD1-N 3.1Å; N734-N736 VanDerWaalsContact OD1-N 3.09Å; N734-N736 PolarHBondContact OD1-OD1 3.31Å; N736-N738 PolarHBondContact O-N 3.37Å; N736-N739 CarbonylContact O-C 3.57Å; N736-N739 PolarHBondContact O-N 3.01Å
737	N	62	Low	86.1	Confident	154 Å²	154	49.4 Å²	49.4	82%	0.824	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-30.6	-172.3	-75.8	-8.7	0	0	0	115.4	N735	N735-N737 PolarHBondContact O-N 2.77Å
738	N	64.9	Low	86.1	Confident	165 Å²	165	49.4 Å²	49.4	88%	0.882	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-8.5	-177.8	-65.7	-5.7	0	0	0	114.3	N736	N736-N738 PolarHBondContact O-N 3.37Å
739	N	72.3	Confident	85.9	Confident	58 Å²	58	48.9 Å²	48.9	31%	0.31	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	90.4	-176.3	-159.8	6.2	0	0	0	112.2	N736 F741 R789	N736-N739 CarbonylContact O-C 3.57Å; N736-N739 PolarHBondContact O-N 3.01Å; N739-F741 HydrophobicContact CB-CD1 4.41Å; N739-F741 HydrophobicContact CB-CE1 4.19Å; N739-F741 WeakPolarHBondContact O-CD1 3.3Å; N739-F741 WeakPolarHBondContact O-CE1 3.41Å; N739-F741 WeakPolarHBondContact OD1-CD1 3.37Å; N739-R789 PolarHBondContact OD1-NH1 2.9Å
740	K	81.8	Confident	85.7	Confident	57 Å²	57	53.9 Å²	53.9	25%	0.248	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.8	179.2	-65.5	173	171.4	-172.4	0	110.8	Y733 N734 N735 I793	Y733-K740 HydrophobicContact CE2-CB 4.44Å; N734-K740 VanDerWaalsContact O-CA 3.29Å; N734-K740 WeakPolarHBondContact O-CA 3.22Å; N735-K740 WeakPolarHBondContact OD1-CE 3.46Å; K740-I793 HydrophobicContact CB-CB 3.94Å; K740-I793 HydrophobicContact CB-CD1 4.04Å; K740-I793 HydrophobicContact CB-CG2 3.98Å; K740-I793 HydrophobicContact CD-CB 3.86Å; K740-I793 HydrophobicContact CD-CG2 4.45Å; K740-I793 WeakPolarHBondContact CD-O 3.13Å; K740-I793 PolarHBondContact NZ-O 2.91Å; K740-I793 WeakPolarHBondContact O-CD1 3.34Å
741	F	85.3	Confident	85.4	Confident	13 Å²	13	51 Å²	51	6%	0.057	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	158.5	-180	54.2	-90.3	0	0	0	111.5	N734 N739 Q743 N758	N734-F741 HydrophobicContact CB-CD1 4.31Å; N734-F741 HydrophobicContact CB-CD2 4.16Å; N734-F741 HydrophobicContact CB-CE1 4.08Å; N734-F741 HydrophobicContact CB-CE2 3.93Å; N734-F741 HydrophobicContact CB-CG 4.36Å; N734-F741 HydrophobicContact CB-CZ 3.91Å; N734-F741 PolarHBondContact N-O 3.23Å; N734-F741 WeakPolarHBondContact ND2-CE1 3.33Å; N734-F741 WeakPolarHBondContact ND2-CZ 3.45Å; N734-F741 PolarHBondContact O-N 3.06Å; N739-F741 HydrophobicContact CB-CD1 4.41Å; N739-F741 HydrophobicContact CB-CE1 4.19Å; N739-F741 WeakPolarHBondContact O-CD1 3.3Å; N739-F741 WeakPolarHBondContact O-CE1 3.41Å; N739-F741 WeakPolarHBondContact OD1-CD1 3.37Å; F741-Q743 HydrophobicContact CD2-CB 4.21Å; F741-Q743 HydrophobicContact CE2-CB 4.03Å; F741-N758 HydrophobicContact CD2-CB 3.96Å; F741-N758 HydrophobicContact CE2-CB 4.07Å; F741-N758 VanDerWaalsContact CE2-ND2 3.28Å; F741-N758 WeakPolarHBondContact CE2-ND2 3.24Å; F741-N758 WeakPolarHBondContact CE2-OD1 3.46Å
742	I	89.7	Confident	85.2	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	135.2	165.9	-80.9	154.3	0	0	0	108.9	L731 I759 A806 I808 V818	L731-I742 HydrophobicContact CD1-CG2 3.61Å; I742-I759 HydrophobicContact CG2-CD1 4.25Å; I742-I759 PolarHBondContact O-N 3.48Å; I742-A806 HydrophobicContact CD1-CB 3.47Å; I742-A806 VanDerWaalsContact CD1-CB 3.47Å; I742-A806 HydrophobicContact CG1-CB 3.81Å; I742-I808 HydrophobicContact CB-CD1 4.19Å; I742-I808 HydrophobicContact CD1-CD1 3.35Å; I742-I808 HydrophobicContact CD1-CG1 3.66Å; I742-I808 HydrophobicContact CG1-CD1 3.4Å; I742-I808 HydrophobicContact CG1-CG1 4.08Å; I742-V818 HydrophobicContact CB-CG2 4.32Å; I742-V818 HydrophobicContact CD1-CB 3.91Å; I742-V818 HydrophobicContact CD1-CG2 3.42Å; I742-V818 VanDerWaalsContact CD1-CG2 3.42Å; I742-V818 HydrophobicContact CG1-CG2 4.4Å; I742-V818 HydrophobicContact CG2-CB 4.16Å; I742-V818 HydrophobicContact CG2-CG1 4.2Å; I742-V818 HydrophobicContact CG2-CG2 3.95Å
743	Q	91	Very high	85.2	Confident	21 Å²	21	55.6 Å²	55.6	10%	0.098	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.2	169	64.2	-174	-11.9	0	0	109.7	S732 F741 I745 L757	S732-Q743 PolarHBondContact N-O 3.42Å; S732-Q743 WeakPolarHBondContact O-CG 3.39Å; S732-Q743 PolarHBondContact O-N 3.24Å; S732-Q743 PolarHBondContact OG-NE2 3.39Å; F741-Q743 HydrophobicContact CD2-CB 4.21Å; F741-Q743 HydrophobicContact CE2-CB 4.03Å; Q743-I745 HydrophobicContact CG-CG1 4.45Å; Q743-L757 CarbonylContact C-O 3.57Å; Q743-L757 VanDerWaalsContact CA-O 3.3Å; Q743-L757 WeakPolarHBondContact CA-O 3.34Å
744	L	94.3	Very high	85.4	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	113.9	162.1	-174.1	68.6	0	0	0	107.7	L729 M746 K756 L757 L820 L826	L729-L744 HydrophobicContact CB-CD1 4.36Å; L729-L744 HydrophobicContact CD2-CD2 4.36Å; L744-M746 HydrophobicContact CB-CG 4.35Å; L744-M746 HydrophobicContact CD2-CG 3.74Å; L744-M746 HydrophobicContact CD2-SD 3.77Å; L744-M746 HydrophobicContact CG-CG 3.69Å; L744-M746 HydrophobicContact CG-SD 4.29Å; L744-M746 PolarHBondContact O-N 3.15Å; L744-K756 WeakPolarHBondContact O-CA 3.3Å; L744-L757 HydrophobicContact CB-CB 4.26Å; L744-L757 PolarHBondContact N-O 3.05Å; L744-L757 PolarHBondContact O-N 3.18Å; L744-L820 HydrophobicContact CD1-CD1 4.2Å; L744-L820 HydrophobicContact CD1-CD2 3.79Å; L744-L826 HydrophobicContact CD2-CD1 4.3Å; L744-L826 HydrophobicContact CD2-CD2 3.54Å; L744-L826 HydrophobicContact CD2-CG 4.46Å
745	I	93.8	Very high	86	Confident	31 Å²	31	57.5 Å²	57.5	16%	0.159	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.3	170.6	-66.1	169.8	0	0	0	107.1	L729 K730 Q743 K754	L729-I745 CarbonylContact C-O 3.45Å; L729-I745 WeakPolarHBondContact CA-O 3.21Å; K730-I745 HydrophobicContact CB-CB 4.35Å; K730-I745 PolarHBondContact N-O 3.47Å; K730-I745 PolarHBondContact O-N 2.91Å; Q743-I745 HydrophobicContact CG-CG1 4.45Å; I745-K754 HydrophobicContact CG2-CD 4.25Å; I745-K754 VanDerWaalsContact CG2-CE 3.44Å; I745-K754 HydrophobicContact CG2-CG 4.21Å
746	M	94.2	Very high	86.8	Confident	2 Å²	2	57 Å²	57	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130	-177.9	-53.7	179.4	-63.6	0	0	108.2	M727 K728 L729 L744 I755 L757 I850 F982	M727-M746 HydrophobicContact CE-CB 3.64Å; K728-M746 CarbonylContact O-C 3.48Å; K728-M746 WeakPolarHBondContact O-CA 3.37Å; L729-M746 HydrophobicContact CD2-CB 4.07Å; L729-M746 HydrophobicContact CD2-CG 3.78Å; L744-M746 HydrophobicContact CB-CG 4.35Å; L744-M746 HydrophobicContact CD2-CG 3.74Å; L744-M746 HydrophobicContact CD2-SD 3.77Å; L744-M746 HydrophobicContact CG-CG 3.69Å; L744-M746 HydrophobicContact CG-SD 4.29Å; L744-M746 PolarHBondContact O-N 3.15Å; M746-I755 HydrophobicContact CE-CB 4.27Å; M746-I755 HydrophobicContact CE-CG2 3.86Å; M746-I755 PolarHBondContact N-O 3.31Å; M746-I755 PolarHBondContact O-N 3.08Å; M746-L757 HydrophobicContact CE-CB 3.61Å; M746-L757 HydrophobicContact SD-CB 4.18Å; M746-I850 HydrophobicContact CE-CD1 4.03Å; M746-F982 HydrophobicContact CE-CB 4.26Å; M746-F982 HydrophobicContact CE-CD1 3.47Å; M746-F982 VanDerWaalsContact CE-CD1 3.47Å; M746-F982 HydrophobicContact CE-CD2 4.26Å; M746-F982 HydrophobicContact CE-CE1 3.85Å; M746-F982 HydrophobicContact CE-CG 3.71Å; M746-F982 HydrophobicContact CE-CZ 4.38Å; M746-F982 HydrophobicContact SD-CB 3.81Å; M746-F982 HydrophobicContact SD-CD1 3.55Å; M746-F982 VanDerWaalsContact SD-CD1 3.55Å; M746-F982 HydrophobicContact SD-CE1 4.41Å; M746-F982 HydrophobicContact SD-CG 3.82Å
747	K	93.6	Very high	87.8	Confident	67 Å²	67	51.8 Å²	51.8	29%	0.291	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118.3	179.9	-178.9	-179.8	-179.8	-177	0	109.6	M727 K728 I749 N752 I753	M727-K747 CarbonylContact C-O 3.54Å; K728-K747 HydrophobicContact CB-CB 4.28Å; K728-K747 PolarHBondContact N-O 2.76Å; K728-K747 PolarHBondContact O-N 3.42Å; K747-I749 PolarHBondContact O-N 3.5Å; K747-N752 VanDerWaalsContact CE-CG 3.43Å; K747-N752 VanDerWaalsContact CE-O 3.28Å; K747-N752 WeakPolarHBondContact CE-O 3.35Å; K747-N752 WeakPolarHBondContact CE-OD1 3.28Å; K747-N752 PolarHBondContact NZ-OD1 3.21Å; K747-I753 WeakPolarHBondContact CA-O 3.03Å
748	H	92.9	Very high	89.4	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.5	178.3	-177.5	-129.3	0	0	0	110.4	T726 M727 S751 N752 I753 L913 F922 E984	T726-H748 PolarHBondContact O-CD2 3.47Å; M727-H748 HydrophobicContact CE-CB 4.38Å; M727-H748 WeakPolarHBondContact SD-CA 3.48Å; M727-H748 HydrophobicContact SD-CB 3.77Å; H748-S751 WeakPolarHBondContact ND1-CB 3.41Å; H748-S751 PolarHBondContact ND1-N 2.82Å; H748-S751 PolarHBondContact ND1-OG 3.29Å; H748-N752 WeakPolarHBondContact O-CA 3.41Å; H748-N752 PolarHBondContact O-N 3.07Å; H748-I753 PolarHBondContact N-O 2.87Å; H748-L913 HydrophobicContact CB-CD1 4.44Å; H748-F922 HydrophobicContact CB-CZ 4.29Å; H748-F922 AromaticContact CD2-CZ 3.7Å; H748-F922 AromaticContact CG-CZ 3.77Å; H748-F922 AromaticContact NE2-CZ 3.99Å; H748-E984 IonicContact CE1-OE1 3.94Å; H748-E984 IonicContact NE2-OE1 3.67Å; H748-E984 PolarHBondContact NE2-OE1 2.84Å
749	I	92.1	Very high	90.9	Very high	70 Å²	70	37.9 Å²	37.9	36%	0.359	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-47.1	-171.5	-68.6	171.1	0	0	0	110.6	I723 T724 T726 K728 K747	I723-I749 HydrophobicContact CG2-CD1 3.95Å; T724-I749 WeakPolarHBondContact O-CD1 3.42Å; T726-I749 WeakPolarHBondContact O-CB 3.42Å; T726-I749 WeakPolarHBondContact O-CG1 3.49Å; T726-I749 PolarHBondContact O-N 2.88Å; K728-I749 HydrophobicContact CG-CD1 4.43Å; K728-I749 HydrophobicContact CG-CG1 4.01Å; K747-I749 PolarHBondContact O-N 3.5Å
750	Q	89	Confident	91.8	Very high	118 Å²	118	35.8 Å²	35.8	55%	0.551	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-45.8	-175.4	-171.8	-172.1	29.4	0	0	112.4	W915	Q750-W915 HydrophobicContact CG-CH2 4.11Å; Q750-W915 HydrophobicContact CG-CZ2 4.42Å
751	S	88.5	Confident	92.5	Very high	10 Å²	10	33 Å²	33	7%	0.07	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.3	-178.2	70.5	0	0	0	0	113.8	H748 I753 W915	H748-S751 WeakPolarHBondContact ND1-CB 3.41Å; H748-S751 PolarHBondContact ND1-N 2.82Å; H748-S751 PolarHBondContact ND1-OG 3.29Å; S751-I753 PolarHBondContact O-N 2.92Å; S751-I753 VanDerWaalsContact O-N 3.12Å; S751-I753 WeakPolarHBondContact OG-CB 3.23Å; S751-I753 WeakPolarHBondContact OG-CG1 3.36Å; S751-I753 PolarHBondContact OG-N 3.26Å; S751-W915 VanDerWaalsContact CB-CD1 3.47Å; S751-W915 VanDerWaalsContact CB-CG 3.47Å
752	N	88.8	Confident	93.1	Very high	105 Å²	105	32.6 Å²	32.6	56%	0.561	16%	0.156	S	C	*	.			trans	62.1	9.1	-174.3	-161.6	61.5	0	0	0	114.1	K747 H748	K747-N752 VanDerWaalsContact CE-CG 3.43Å; K747-N752 VanDerWaalsContact CE-O 3.28Å; K747-N752 WeakPolarHBondContact CE-O 3.35Å; K747-N752 WeakPolarHBondContact CE-OD1 3.28Å; K747-N752 PolarHBondContact NZ-OD1 3.21Å; H748-N752 WeakPolarHBondContact O-CA 3.41Å; H748-N752 PolarHBondContact O-N 3.07Å
753	I	91.1	Very high	93.4	Very high	16 Å²	16	34 Å²	34	8%	0.082	16%	0.162	C	C	.	.			trans	-73.8	138.3	179.9	-64.8	171.3	0	0	0	110	K747 H748 S751 I755 D854 L913 K914 W915	K747-I753 WeakPolarHBondContact CA-O 3.03Å; H748-I753 PolarHBondContact N-O 2.87Å; S751-I753 PolarHBondContact O-N 2.92Å; S751-I753 VanDerWaalsContact O-N 3.12Å; S751-I753 WeakPolarHBondContact OG-CB 3.23Å; S751-I753 WeakPolarHBondContact OG-CG1 3.36Å; S751-I753 PolarHBondContact OG-N 3.26Å; I753-I755 HydrophobicContact CG2-CG1 4.4Å; I753-D854 HydrophobicContact CD1-CB 4.38Å; I753-D854 HydrophobicContact CG2-CB 4.02Å; I753-L913 HydrophobicContact CD1-CB 4.09Å; I753-L913 HydrophobicContact CG2-CD2 4.48Å; I753-K914 WeakPolarHBondContact CD1-O 3.49Å; I753-W915 HydrophobicContact CD1-CB 3.97Å
754	K	92	Very high	93.8	Very high	110 Å²	110	33.1 Å²	33.1	48%	0.478	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.8	-180	-178.6	177.8	173.9	176	0	110.7	I745	I745-K754 HydrophobicContact CG2-CD 4.25Å; I745-K754 VanDerWaalsContact CG2-CE 3.44Å; I745-K754 HydrophobicContact CG2-CG 4.21Å
755	I	94.1	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.2	180	-53.5	156.9	0	0	0	107.5	M746 I753 I850 V855 L913 F982	M746-I755 HydrophobicContact CE-CB 4.27Å; M746-I755 HydrophobicContact CE-CG2 3.86Å; M746-I755 PolarHBondContact N-O 3.31Å; M746-I755 PolarHBondContact O-N 3.08Å; I753-I755 HydrophobicContact CG2-CG1 4.4Å; I755-I850 HydrophobicContact CG2-CG2 3.68Å; I755-V855 HydrophobicContact CG1-CG2 4.39Å; I755-V855 HydrophobicContact CG2-CG2 4.43Å; I755-L913 HydrophobicContact CD1-CD1 3.55Å; I755-L913 HydrophobicContact CD1-CD2 3.5Å; I755-L913 HydrophobicContact CD1-CG 4.1Å; I755-L913 HydrophobicContact CG1-CD2 3.95Å; I755-F982 HydrophobicContact CD1-CE1 3.61Å; I755-F982 HydrophobicContact CD1-CZ 3.72Å; I755-F982 HydrophobicContact CG2-CZ 4.29Å
756	K	95.1	Very high	94.1	Very high	84 Å²	84	32.4 Å²	32.4	37%	0.365	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129	175.2	-59.6	172.1	-174.4	171.6	0	108.8	L744 I850 N851	L744-K756 WeakPolarHBondContact O-CA 3.3Å; K756-I850 WeakPolarHBondContact O-CA 3.01Å; K756-N851 HydrophobicContact CB-CB 4.42Å; K756-N851 PolarHBondContact N-O 3.32Å; K756-N851 PolarHBondContact O-N 2.97Å
757	L	96.4	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	110.9	165.4	171	67.5	0	0	0	107.8	Q743 L744 M746 I759 L826 I850 L924 I980	Q743-L757 CarbonylContact C-O 3.57Å; Q743-L757 VanDerWaalsContact CA-O 3.3Å; Q743-L757 WeakPolarHBondContact CA-O 3.34Å; L744-L757 HydrophobicContact CB-CB 4.26Å; L744-L757 PolarHBondContact N-O 3.05Å; L744-L757 PolarHBondContact O-N 3.18Å; M746-L757 HydrophobicContact CE-CB 3.61Å; M746-L757 HydrophobicContact SD-CB 4.18Å; L757-I759 HydrophobicContact CG-CG1 4.29Å; L757-L826 HydrophobicContact CD2-CD2 4Å; L757-I850 HydrophobicContact CB-CD1 4.13Å; L757-I850 HydrophobicContact CD1-CD1 3.76Å; L757-L924 HydrophobicContact CD1-CD1 4.41Å; L757-L924 HydrophobicContact CD1-CD2 4.46Å; L757-I980 HydrophobicContact CD2-CG2 3.88Å
758	N	95.7	Very high	94.2	Very high	28 Å²	28	31.5 Å²	31.5	15%	0.15	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.1	174.7	-63	2.8	0	0	0	109.3	F741 Y848 T849 N851	F741-N758 HydrophobicContact CD2-CB 3.96Å; F741-N758 HydrophobicContact CE2-CB 4.07Å; F741-N758 VanDerWaalsContact CE2-ND2 3.28Å; F741-N758 WeakPolarHBondContact CE2-ND2 3.24Å; F741-N758 WeakPolarHBondContact CE2-OD1 3.46Å; N758-Y848 CarbonylContact O-C 3.59Å; N758-Y848 WeakPolarHBondContact O-CA 3.44Å; N758-T849 PolarHBondContact N-O 3.25Å; N758-T849 PolarHBondContact O-N 3.14Å; N758-N851 PolarHBondContact ND2-ND2 3.25Å
759	I	96	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120	179.9	-51.8	175.8	0	0	0	107.6	I742 L757 L816 V818 V828 V846 Y848 I980	I742-I759 HydrophobicContact CG2-CD1 4.25Å; I742-I759 PolarHBondContact O-N 3.48Å; L757-I759 HydrophobicContact CG-CG1 4.29Å; I759-L816 HydrophobicContact CG2-CD1 4.26Å; I759-V818 HydrophobicContact CD1-CG1 3.92Å; I759-V818 HydrophobicContact CD1-CG2 4.07Å; I759-V818 HydrophobicContact CG2-CG2 4.46Å; I759-V828 HydrophobicContact CD1-CG2 3.9Å; I759-V828 HydrophobicContact CG2-CG1 4.4Å; I759-V828 HydrophobicContact CG2-CG2 4.32Å; I759-V846 HydrophobicContact CG2-CG2 4.04Å; I759-Y848 HydrophobicContact CB-CD1 4.49Å; I759-Y848 HydrophobicContact CB-CE1 4.42Å; I759-Y848 HydrophobicContact CD1-CE1 4.35Å; I759-Y848 HydrophobicContact CG1-CD1 3.97Å; I759-Y848 HydrophobicContact CG1-CE1 4.08Å; I759-Y848 HydrophobicContact CG2-CD1 4.19Å; I759-Y848 HydrophobicContact CG2-CE1 3.71Å; I759-I980 HydrophobicContact CD1-CD1 4.29Å
760	E	93.1	Very high	93.5	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.8	-174.3	-172.9	174.3	-160.5	0	0	112	M762 R789 V846 R847	E760-M762 HydrophobicContact CG-CG 3.8Å; E760-M762 HydrophobicContact CG-SD 4.39Å; E760-R789 VanDerWaalsContact OE1-CD 3.31Å; E760-R789 WeakPolarHBondContact OE1-CD 3.09Å; E760-R789 VanDerWaalsContact OE1-CG 3.31Å; E760-R789 WeakPolarHBondContact OE1-CG 3.3Å; E760-R789 IonicContact OE1-CZ 3.41Å; E760-R789 VanDerWaalsContact OE1-CZ 3.25Å; E760-R789 IonicContact OE1-NE 3.08Å; E760-R789 IonicContact OE1-NH1 3.99Å; E760-R789 PolarHBondContact OE1-NH1 3.09Å; E760-R789 IonicContact OE2-CZ 2.72Å; E760-R789 IonicContact OE2-NH1 3.1Å; E760-R789 PolarHBondContact OE2-NH1 3.39Å; E760-R789 IonicContact OE2-NH2 3.58Å; E760-R789 PolarHBondContact OE2-NH2 3.21Å; E760-V846 CarbonylContact O-C 3.56Å; E760-V846 WeakPolarHBondContact O-CA 3.48Å; E760-R847 PolarHBondContact N-O 3.28Å; E760-R847 PolarHBondContact O-N 3.22Å
761	L	95.9	Very high	93.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.9	167.8	-163.4	67.9	0	0	0	110.1	F790 Y810 A814 L816 I832 T844 V846 L946	L761-F790 HydrophobicContact CB-CE2 4.3Å; L761-F790 HydrophobicContact CD2-CE2 4.22Å; L761-F790 HydrophobicContact CD2-CZ 4.4Å; L761-F790 HydrophobicContact CG-CE2 4.01Å; L761-F790 WeakPolarHBondContact O-CD2 3.35Å; L761-Y810 HydrophobicContact CB-CD1 4.1Å; L761-Y810 HydrophobicContact CB-CD2 3.82Å; L761-Y810 HydrophobicContact CB-CE1 3.93Å; L761-Y810 HydrophobicContact CB-CE2 3.63Å; L761-Y810 HydrophobicContact CB-CG 4.06Å; L761-Y810 HydrophobicContact CD2-CD2 3.89Å; L761-Y810 HydrophobicContact CD2-CE2 4.43Å; L761-Y810 HydrophobicContact CD2-CG 4.16Å; L761-Y810 PolarHBondContact N-OH 3.44Å; L761-A814 HydrophobicContact CD2-CB 3.78Å; L761-L816 HydrophobicContact CB-CD1 3.87Å; L761-L816 HydrophobicContact CB-CG 4.09Å; L761-L816 HydrophobicContact CD1-CD2 4.11Å; L761-L816 HydrophobicContact CD1-CG 4.41Å; L761-L816 HydrophobicContact CD2-CG 4.35Å; L761-I832 HydrophobicContact CD1-CD1 4.46Å; L761-T844 HydrophobicContact CD1-CG2 3.68Å; L761-T844 HydrophobicContact CD2-CG2 4.45Å; L761-T844 HydrophobicContact CG-CG2 4Å; L761-V846 HydrophobicContact CD1-CB 4.46Å; L761-L946 HydrophobicContact CD1-CD1 3.72Å
762	M	96.9	Very high	93.7	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	174.2	-177.2	-54.4	-178	78.5	0	0	110	E760 A787 K788 R789 T844 V845 R847	E760-M762 HydrophobicContact CG-CG 3.8Å; E760-M762 HydrophobicContact CG-SD 4.39Å; M762-A787 HydrophobicContact CB-CB 3.85Å; M762-A787 HydrophobicContact CE-CB 3.96Å; M762-A787 WeakPolarHBondContact CE-O 3.41Å; M762-A787 HydrophobicContact SD-CB 4.24Å; M762-K788 WeakPolarHBondContact CA-O 3.17Å; M762-K788 WeakPolarHBondContact CB-O 3.31Å; M762-R789 HydrophobicContact CE-CG 3.69Å; M762-T844 WeakPolarHBondContact O-CA 3.48Å; M762-T844 WeakPolarHBondContact O-CG2 3.14Å; M762-V845 HydrophobicContact CB-CG2 3.82Å; M762-V845 PolarHBondContact N-O 3.12Å; M762-V845 PolarHBondContact O-N 3.41Å; M762-V845 VanDerWaalsContact O-O 3.06Å; M762-R847 HydrophobicContact SD-CB 4.28Å; M762-R847 VanDerWaalsContact SD-CZ 3.54Å
763	Y	97.7	Very high	94.1	Very high	32 Å²	32	35.1 Å²	35.1	13%	0.125	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	145.8	173.6	62.8	-83.5	0	0	0	112.6	I765 K788 F790 W813 R842 E843	Y763-I765 HydrophobicContact CD2-CD1 3.83Å; Y763-I765 HydrophobicContact CE2-CD1 3.6Å; Y763-I765 HydrophobicContact CE2-CG1 4.41Å; Y763-K788 HydrophobicContact CE1-CB 4.29Å; Y763-K788 HydrophobicContact CE2-CB 4.15Å; Y763-K788 HydrophobicContact CE2-CD 4.25Å; Y763-K788 PolarHBondContact N-O 2.82Å; Y763-K788 VanDerWaalsContact N-O 3.13Å; Y763-K788 PolarHBondContact O-N 2.93Å; Y763-F790 HydrophobicContact CD1-CD1 4.45Å; Y763-F790 HydrophobicContact CD1-CD2 4.19Å; Y763-F790 AromaticContact CD1-CE1 3.96Å; Y763-F790 HydrophobicContact CD1-CE1 3.96Å; Y763-F790 AromaticContact CD1-CE2 3.65Å; Y763-F790 HydrophobicContact CD1-CE2 3.65Å; Y763-F790 AromaticContact CD1-CZ 3.52Å; Y763-F790 HydrophobicContact CD1-CZ 3.52Å; Y763-F790 HydrophobicContact CE1-CD1 4.12Å; Y763-F790 HydrophobicContact CE1-CD2 4.33Å; Y763-F790 AromaticContact CE1-CE1 3.97Å; Y763-F790 HydrophobicContact CE1-CE1 3.97Å; Y763-F790 HydrophobicContact CE1-CE2 4.19Å; Y763-F790 HydrophobicContact CE1-CG 4.3Å; Y763-F790 HydrophobicContact CE1-CZ 4.01Å; Y763-W813 HydrophobicContact CD1-CH2 4.44Å; Y763-R842 HydrophobicContact CD2-CG 4.03Å; Y763-R842 HydrophobicContact CE2-CG 4.43Å; Y763-E843 CarbonylContact C-O 3.59Å; Y763-E843 WeakPolarHBondContact CA-O 3.31Å
764	Y	98.4	Very high	94.4	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	153.7	165.7	-70.3	-85.5	0	0	0	110.5	F779 P781 S785 A787 R842 E843 V845 I895 L937 E943	Y764-F779 HydrophobicContact CD1-CZ 4.3Å; Y764-F779 HydrophobicContact CD2-CE2 4.17Å; Y764-F779 AromaticContact CD2-CZ 3.72Å; Y764-F779 HydrophobicContact CD2-CZ 3.72Å; Y764-F779 HydrophobicContact CE1-CZ 4.48Å; Y764-F779 AromaticContact CE2-CZ 3.98Å; Y764-F779 HydrophobicContact CE2-CZ 3.98Å; Y764-F779 HydrophobicContact CG-CE2 4.06Å; Y764-F779 AromaticContact CG-CZ 3.9Å; Y764-F779 HydrophobicContact CG-CZ 3.9Å; Y764-P781 HydrophobicContact CD1-CB 3.81Å; Y764-P781 HydrophobicContact CD1-CG 3.69Å; Y764-P781 HydrophobicContact CE1-CB 4.35Å; Y764-P781 HydrophobicContact CE1-CG 3.99Å; Y764-P781 HydrophobicContact CG-CG 4.33Å; Y764-S785 WeakPolarHBondContact CD1-O 3.48Å; Y764-S785 VanDerWaalsContact CE1-O 3.31Å; Y764-S785 WeakPolarHBondContact CE1-O 3.34Å; Y764-A787 HydrophobicContact CD1-CB 4.33Å; Y764-A787 HydrophobicContact CD2-CB 4.04Å; Y764-A787 HydrophobicContact CE1-CB 4.03Å; Y764-A787 HydrophobicContact CE2-CB 3.67Å; Y764-A787 HydrophobicContact CG-CB 4.35Å; Y764-R842 WeakPolarHBondContact O-CA 3.45Å; Y764-E843 PolarHBondContact N-O 2.98Å; Y764-E843 PolarHBondContact O-N 3.47Å; Y764-V845 HydrophobicContact CD2-CG1 3.88Å; Y764-V845 HydrophobicContact CE2-CG1 3.9Å; Y764-V845 HydrophobicContact CE2-CG2 4.24Å; Y764-I895 HydrophobicContact CE1-CD1 4.12Å; Y764-I895 HydrophobicContact CE1-CG2 4.08Å; Y764-L937 WeakPolarHBondContact OH-CD1 3.18Å; Y764-E943 WeakPolarHBondContact CE2-OE1 3.34Å; Y764-E943 PolarHBondContact OH-OE1 3.28Å; Y764-E943 VanDerWaalsContact OH-OE1 3.12Å
765	I	98	Very high	94.6	Very high	18 Å²	18	29.2 Å²	29.2	9%	0.092	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.5	162.5	-59.7	-52.9	0	0	0	106.6	Y763 K782 K788 I840 G841 R842	Y763-I765 HydrophobicContact CD2-CD1 3.83Å; Y763-I765 HydrophobicContact CE2-CD1 3.6Å; Y763-I765 HydrophobicContact CE2-CG1 4.41Å; I765-K782 HydrophobicContact CB-CB 4.35Å; I765-K782 HydrophobicContact CG2-CB 4.12Å; I765-K782 HydrophobicContact CG2-CD 3.95Å; I765-K782 WeakPolarHBondContact O-CB 3.28Å; I765-K782 PolarHBondContact O-N 3.14Å; I765-K788 HydrophobicContact CG1-CD 4.13Å; I765-I840 HydrophobicContact CD1-CG2 3.48Å; I765-I840 VanDerWaalsContact CD1-CG2 3.48Å; I765-I840 HydrophobicContact CG1-CG2 4.43Å; I765-I840 HydrophobicContact CG2-CG2 4.11Å; I765-G841 WeakPolarHBondContact CA-O 3.36Å; I765-R842 HydrophobicContact CD1-CG 4.05Å
766	G	96.8	Very high	94.7	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.031	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-67.2	146.9	177.5	0	0	0	0	0	111.8	L780 G841	G766-L780 CarbonylContact C-O 3.23Å; G766-G841 PolarHBondContact N-O 2.87Å; G766-G841 VanDerWaalsContact N-O 3.1Å
767	E	96.1	Very high	94.9	Very high	21 Å²	21	25.7 Å²	25.7	10%	0.098	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-69.3	135.1	169.1	-174.1	56.3	-94.3	0	0	109.6	N769 S773 S774 L780 Y783	E767-N769 VanDerWaalsContact CG-O 3.3Å; E767-N769 WeakPolarHBondContact CG-O 3.24Å; E767-N769 PolarHBondContact OE1-N 2.85Å; E767-S773 CarbonylContact O-C 3.58Å; E767-S773 WeakPolarHBondContact O-CA 3.49Å; E767-S774 PolarHBondContact O-N 3.31Å; E767-L780 HydrophobicContact CB-CB 4.32Å; E767-L780 HydrophobicContact CB-CD2 3.88Å; E767-L780 HydrophobicContact CB-CG 3.87Å; E767-L780 WeakPolarHBondContact CB-O 3.22Å; E767-L780 HydrophobicContact CG-CD2 4.11Å; E767-L780 PolarHBondContact N-O 3.05Å; E767-Y783 PolarHBondContact OE2-N 3.39Å
768	T	94.1	Very high	94.9	Very high	28 Å²	28	25.7 Å²	25.7	17%	0.172	15%	0.147	C	C	.	.			trans	-130.1	-7.6	-175.3	63.2	0	0	0	0	111.2	I951 N952	T768-I951 HydrophobicContact CG2-CD1 3.45Å; T768-I951 VanDerWaalsContact CG2-CD1 3.45Å; T768-I951 HydrophobicContact CG2-CG1 3.45Å; T768-I951 VanDerWaalsContact CG2-CG1 3.45Å; T768-N952 PolarHBondContact O-ND2 3.16Å
769	N	85.3	Confident	95.1	Very high	95 Å²	95	24.3 Å²	24.3	51%	0.508	14%	0.14	S	C	.	.	S	Bend	trans	-118.9	151.6	-177.2	-62.2	-25	0	0	0	109.6	E767	E767-N769 VanDerWaalsContact CG-O 3.3Å; E767-N769 WeakPolarHBondContact CG-O 3.24Å; E767-N769 PolarHBondContact OE1-N 2.85Å
770	G	84.3	Confident	95.1	Very high	74 Å²	74	24.7 Å²	24.7	76%	0.763	14%	0.142	S	C	*	.	S	Bend	trans	96.6	-159	175.9	0	0	0	0	0	113.2
771	Q	88	Confident	95.3	Very high	186 Å²	186	24.2 Å²	24.2	87%	0.869	14%	0.14	S	C	*	.	S	Bend	trans	-76.9	-22.8	-172.3	-68.5	-179.8	-27.8	0	0	113.8
772	Q	94.8	Very high	95.3	Very high	17 Å²	17	26.6 Å²	26.6	8%	0.079	15%	0.15	C	C	.	.			trans	-137.4	129.3	-179.3	-176.9	63.6	73.1	0	0	109.2	L382 S383 I778 L780 D954	L382-Q772 HydrophobicContact CB-CB 4.01Å; L382-Q772 HydrophobicContact CB-CG 4.43Å; S383-Q772 PolarHBondContact OG-OE1 3.42Å; Q772-I778 HydrophobicContact CG-CG2 4.12Å; Q772-L780 HydrophobicContact CB-CD2 4.23Å; Q772-L780 HydrophobicContact CG-CD2 4.19Å; Q772-D954 PolarHBondContact NE2-O 3.27Å
773	S	96.2	Very high	95.1	Very high	8 Å²	8	35 Å²	35	6%	0.056	18%	0.183	C	C	.	.			trans	-100.8	157.1	170.1	-62.2	0	0	0	0	110.6	E767 D954	E767-S773 CarbonylContact O-C 3.58Å; E767-S773 WeakPolarHBondContact O-CA 3.49Å; S773-D954 WeakPolarHBondContact O-CB 3.48Å
774	S	97	Very high	94.7	Very high	3 Å²	3	38 Å²	38	2%	0.021	20%	0.197	C	C	.	.			trans	-67.2	137.1	160.6	-154.4	0	0	0	0	108.3	E767 I778 L780 E843	E767-S774 PolarHBondContact O-N 3.31Å; S774-I778 PolarHBondContact OG-O 3.26Å; S774-L780 PolarHBondContact OG-N 2.92Å; S774-E843 PolarHBondContact OG-OE1 2.88Å; S774-E843 PolarHBondContact OG-OE2 3.31Å
775	G	97	Very high	94.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.			trans	-158.4	-157.6	-172.1	0	0	0	0	0	112.5	Y777 I778 R948 D954	G775-Y777 VanDerWaalsContact C-N 3.28Å; G775-Y777 PolarHBondContact O-N 3.11Å; G775-I778 PolarHBondContact N-O 3.01Å; G775-I778 VanDerWaalsContact N-O 3.1Å; G775-R948 PolarHBondContact O-NH2 2.79Å; G775-D954 VanDerWaalsContact C-OD2 3.27Å; G775-D954 WeakPolarHBondContact CA-OD2 3.31Å
776	A	96.6	Very high	94.5	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.033	23%	0.229	C	C	.	.	S	Bend	trans	-57.8	-39.6	-177.9	0	0	0	0	0	112.7	S391 R948 D954 V958	S391-A776 PolarHBondContact OG-O 3.48Å; A776-R948 PolarHBondContact O-NH2 3.16Å; A776-D954 PolarHBondContact N-OD2 3.19Å; A776-D954 VanDerWaalsContact N-OD2 3.16Å; A776-V958 HydrophobicContact CB-CG2 4.4Å
777	Y	98	Very high	94.5	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.02	23%	0.232	C	C	.	.	S	Bend	trans	-97.7	-46.7	-179.8	-54.1	-88.5	0	0	0	112.6	W62 F183 W385 G387 Y388 T451 G775 D954 L956 V958	W62-Y777 PolarHBondContact NE1-OH 2.91Å; F183-Y777 HydrophobicContact CD1-CD1 4.48Å; F183-Y777 HydrophobicContact CD1-CE1 4.41Å; F183-Y777 HydrophobicContact CD2-CD1 4.09Å; F183-Y777 HydrophobicContact CD2-CE1 4.29Å; F183-Y777 HydrophobicContact CE1-CD1 4.32Å; F183-Y777 AromaticContact CE1-CE1 3.81Å; F183-Y777 HydrophobicContact CE1-CE1 3.81Å; F183-Y777 AromaticContact CE2-CD1 3.91Å; F183-Y777 HydrophobicContact CE2-CD1 3.91Å; F183-Y777 AromaticContact CE2-CE1 3.66Å; F183-Y777 HydrophobicContact CE2-CE1 3.66Å; F183-Y777 HydrophobicContact CG-CD1 4.39Å; F183-Y777 HydrophobicContact CZ-CD1 4.05Å; F183-Y777 AromaticContact CZ-CE1 3.41Å; F183-Y777 HydrophobicContact CZ-CE1 3.41Å; F183-Y777 VanDerWaalsContact CZ-CE1 3.41Å; W385-Y777 AromaticContact CE3-CD1 3.6Å; W385-Y777 HydrophobicContact CE3-CD1 3.6Å; W385-Y777 HydrophobicContact CE3-CE1 4.48Å; W385-Y777 AromaticContact CE3-CG 3.86Å; W385-Y777 HydrophobicContact CE3-CG 3.86Å; W385-Y777 HydrophobicContact CH2-CD1 4.32Å; W385-Y777 HydrophobicContact CH2-CG 4.31Å; W385-Y777 AromaticContact CZ3-CD1 3.3Å; W385-Y777 HydrophobicContact CZ3-CD1 3.3Å; W385-Y777 HydrophobicContact CZ3-CD2 4.34Å; W385-Y777 AromaticContact CZ3-CE1 3.81Å; W385-Y777 HydrophobicContact CZ3-CE1 3.81Å; W385-Y777 AromaticContact CZ3-CG 3.61Å; W385-Y777 HydrophobicContact CZ3-CG 3.61Å; G387-Y777 VanDerWaalsContact CA-O 3.31Å; G387-Y777 WeakPolarHBondContact CA-O 3.33Å; G387-Y777 PolarHBondContact N-O 3.07Å; Y388-Y777 PolarHBondContact N-O 3.45Å; T451-Y777 HydrophobicContact CG2-CD1 3.39Å; T451-Y777 HydrophobicContact CG2-CE1 3.37Å; T451-Y777 HydrophobicContact CG2-CG 4.07Å; T451-Y777 PolarHBondContact O-OH 3.42Å; T451-Y777 WeakPolarHBondContact OG1-CE1 3.13Å; G775-Y777 VanDerWaalsContact C-N 3.28Å; G775-Y777 PolarHBondContact O-N 3.11Å; Y777-D954 WeakPolarHBondContact CA-OD2 3.44Å; Y777-D954 WeakPolarHBondContact CB-OD2 3.42Å; Y777-D954 PolarHBondContact N-OD2 2.92Å; Y777-L956 HydrophobicContact CD2-CB 3.66Å; Y777-L956 HydrophobicContact CD2-CD1 4.09Å; Y777-L956 HydrophobicContact CE2-CB 3.86Å; Y777-L956 HydrophobicContact CG-CD1 4.31Å; Y777-V958 HydrophobicContact CE2-CG2 3.54Å; Y777-V958 WeakPolarHBondContact OH-CG2 3.48Å
778	I	98.1	Very high	94.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.			trans	-83.6	138.3	-169.9	-58.4	-56.1	0	0	0	111.1	Y384 W385 Q772 S774 G775 L780 R948 D954 L956	Y384-I778 WeakPolarHBondContact O-CD1 3.29Å; W385-I778 HydrophobicContact CD2-CD1 4.33Å; W385-I778 HydrophobicContact CG-CD1 3.96Å; Q772-I778 HydrophobicContact CG-CG2 4.12Å; S774-I778 PolarHBondContact OG-O 3.26Å; G775-I778 PolarHBondContact N-O 3.01Å; G775-I778 VanDerWaalsContact N-O 3.1Å; I778-L780 HydrophobicContact CG2-CB 3.98Å; I778-R948 PolarHBondContact O-NH1 2.83Å; I778-D954 HydrophobicContact CB-CB 4.15Å; I778-D954 HydrophobicContact CG1-CB 3.99Å; I778-D954 PolarHBondContact N-OD2 3.33Å; I778-L956 HydrophobicContact CD1-CD1 3.8Å; I778-L956 HydrophobicContact CG1-CD1 3.56Å
779	F	98.2	Very high	94.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.			trans	-109.8	118.8	160.1	169.1	-138.6	0	0	0	108.1	Y384 Y764 P781 E843 I895 T896 Y899 M945	Y384-F779 PolarHBondContact O-N 3.32Å; Y764-F779 HydrophobicContact CD1-CZ 4.3Å; Y764-F779 HydrophobicContact CD2-CE2 4.17Å; Y764-F779 AromaticContact CD2-CZ 3.72Å; Y764-F779 HydrophobicContact CD2-CZ 3.72Å; Y764-F779 HydrophobicContact CE1-CZ 4.48Å; Y764-F779 AromaticContact CE2-CZ 3.98Å; Y764-F779 HydrophobicContact CE2-CZ 3.98Å; Y764-F779 HydrophobicContact CG-CE2 4.06Å; Y764-F779 AromaticContact CG-CZ 3.9Å; Y764-F779 HydrophobicContact CG-CZ 3.9Å; F779-P781 HydrophobicContact CE1-CG 4.38Å; F779-P781 HydrophobicContact CE2-CG 3.69Å; F779-P781 HydrophobicContact CZ-CG 3.61Å; F779-E843 VanDerWaalsContact CD2-OE1 3.29Å; F779-E843 WeakPolarHBondContact CD2-OE1 3.43Å; F779-E843 WeakPolarHBondContact CD2-OE2 3.48Å; F779-I895 HydrophobicContact CE1-CG2 4.04Å; F779-I895 HydrophobicContact CZ-CG2 4.24Å; F779-T896 HydrophobicContact CD1-CG2 3.67Å; F779-T896 HydrophobicContact CE1-CG2 3.89Å; F779-T896 HydrophobicContact CG-CG2 4.06Å; F779-T896 HydrophobicContact CZ-CG2 4.47Å; F779-T896 WeakPolarHBondContact O-CB 3.09Å; F779-T896 WeakPolarHBondContact O-CG2 3.43Å; F779-Y899 HydrophobicContact CD1-CD1 4.48Å; F779-Y899 HydrophobicContact CD1-CD2 4.23Å; F779-Y899 HydrophobicContact CD1-CE2 4.43Å; F779-Y899 HydrophobicContact CD1-CG 4.25Å; F779-Y899 HydrophobicContact CE1-CD1 4.45Å; F779-Y899 AromaticContact CE1-CD2 3.79Å; F779-Y899 HydrophobicContact CE1-CD2 3.79Å; F779-Y899 HydrophobicContact CE1-CE1 4.28Å; F779-Y899 AromaticContact CE1-CE2 3.6Å; F779-Y899 HydrophobicContact CE1-CE2 3.6Å; F779-Y899 HydrophobicContact CE1-CG 4.21Å; F779-Y899 AromaticContact CE1-CZ 3.85Å; F779-Y899 HydrophobicContact CZ-CE2 4.44Å; F779-M945 HydrophobicContact CD1-CE 3.66Å; F779-M945 HydrophobicContact CD2-CE 3.71Å; F779-M945 HydrophobicContact CE1-CE 3.55Å; F779-M945 HydrophobicContact CE2-CE 3.59Å; F779-M945 HydrophobicContact CG-CE 3.75Å; F779-M945 HydrophobicContact CZ-CE 3.51Å
780	L	97.4	Very high	94.7	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	24%	0.239	C	C	.	.			trans	-143.2	106.3	177.4	-176.2	62.4	0	0	0	110.6	L382 G766 E767 Q772 S774 I778	L382-L780 HydrophobicContact CB-CD2 4.3Å; G766-L780 CarbonylContact C-O 3.23Å; E767-L780 HydrophobicContact CB-CB 4.32Å; E767-L780 HydrophobicContact CB-CD2 3.88Å; E767-L780 HydrophobicContact CB-CG 3.87Å; E767-L780 WeakPolarHBondContact CB-O 3.22Å; E767-L780 HydrophobicContact CG-CD2 4.11Å; E767-L780 PolarHBondContact N-O 3.05Å; Q772-L780 HydrophobicContact CB-CD2 4.23Å; Q772-L780 HydrophobicContact CG-CD2 4.19Å; S774-L780 PolarHBondContact OG-N 2.92Å; I778-L780 HydrophobicContact CG2-CB 3.98Å
781	P	97.2	Very high	94.7	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.019	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-64.2	135.4	173.4	-25.6	34.4	0	0	0	113	Y764 F779 Y783 K784 S785 I895 T896	Y764-P781 HydrophobicContact CD1-CB 3.81Å; Y764-P781 HydrophobicContact CD1-CG 3.69Å; Y764-P781 HydrophobicContact CE1-CB 4.35Å; Y764-P781 HydrophobicContact CE1-CG 3.99Å; Y764-P781 HydrophobicContact CG-CG 4.33Å; F779-P781 HydrophobicContact CE1-CG 4.38Å; F779-P781 HydrophobicContact CE2-CG 3.69Å; F779-P781 HydrophobicContact CZ-CG 3.61Å; P781-Y783 PolarHBondContact O-N 3.43Å; P781-K784 PolarHBondContact O-N 3.31Å; P781-S785 WeakPolarHBondContact CB-O 3.12Å; P781-I895 HydrophobicContact CG-CD1 4.43Å; P781-I895 HydrophobicContact CG-CG2 4.14Å; P781-T896 HydrophobicContact CG-CG2 4.12Å
782	K	95.8	Very high	94.1	Very high	50 Å²	50	49.6 Å²	49.6	22%	0.217	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-54.8	127.2	173.8	-170.5	168.3	-172.6	160.7	0	111.1	I765 K784 S785	I765-K782 HydrophobicContact CB-CB 4.35Å; I765-K782 HydrophobicContact CG2-CB 4.12Å; I765-K782 HydrophobicContact CG2-CD 3.95Å; I765-K782 WeakPolarHBondContact O-CB 3.28Å; I765-K782 PolarHBondContact O-N 3.14Å; K782-K784 PolarHBondContact O-N 3.21Å; K782-K784 VanDerWaalsContact O-N 3.15Å; K782-S785 VanDerWaalsContact O-CB 3.28Å; K782-S785 WeakPolarHBondContact O-CB 3.4Å; K782-S785 PolarHBondContact O-N 3.39Å; K782-S785 PolarHBondContact O-OG 3.36Å
783	Y	91.2	Very high	93.4	Very high	179 Å²	179	49.3 Å²	49.3	70%	0.702	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	52.9	26.7	-176.4	-48.5	-54.1	0	0	0	115.4	E767 P781 S785	E767-Y783 PolarHBondContact OE2-N 3.39Å; P781-Y783 PolarHBondContact O-N 3.43Å; Y783-S785 PolarHBondContact O-N 2.9Å; Y783-S785 VanDerWaalsContact O-N 3.13Å
784	K	91	Very high	92.9	Very high	95 Å²	95	54.5 Å²	54.5	41%	0.413	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	55.3	27.2	-172.8	-50.5	-175	178.4	-167.8	0	113	P781 K782 E892 Q893	P781-K784 PolarHBondContact O-N 3.31Å; K782-K784 PolarHBondContact O-N 3.21Å; K782-K784 VanDerWaalsContact O-N 3.15Å; K784-E892 PolarHBondContact NZ-O 2.92Å; K784-Q893 VanDerWaalsContact CE-NE2 3.31Å
785	S	95.1	Very high	92.5	Very high	37 Å²	37	55 Å²	55	26%	0.259	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-72.5	145.7	-176.6	59.9	0	0	0	0	111.9	Y764 P781 K782 Y783 I895	Y764-S785 WeakPolarHBondContact CD1-O 3.48Å; Y764-S785 VanDerWaalsContact CE1-O 3.31Å; Y764-S785 WeakPolarHBondContact CE1-O 3.34Å; P781-S785 WeakPolarHBondContact CB-O 3.12Å; K782-S785 VanDerWaalsContact O-CB 3.28Å; K782-S785 WeakPolarHBondContact O-CB 3.4Å; K782-S785 PolarHBondContact O-N 3.39Å; K782-S785 PolarHBondContact O-OG 3.36Å; Y783-S785 PolarHBondContact O-N 2.9Å; Y783-S785 VanDerWaalsContact O-N 3.13Å; S785-I895 WeakPolarHBondContact O-CD1 3.41Å
786	H	96.1	Very high	92.1	Very high	112 Å²	112	58.9 Å²	58.9	52%	0.519	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-69	161	171.4	-68.6	-78.3	0	0	0	111.6	K788	H786-K788 PolarHBondContact O-N 2.83Å
787	A	96.9	Very high	91.9	Very high	11 Å²	11	61 Å²	61	9%	0.091	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-54.1	136	176.6	0	0	0	0	0	111.7	M762 Y764 V845	M762-A787 HydrophobicContact CB-CB 3.85Å; M762-A787 HydrophobicContact CE-CB 3.96Å; M762-A787 WeakPolarHBondContact CE-O 3.41Å; M762-A787 HydrophobicContact SD-CB 4.24Å; Y764-A787 HydrophobicContact CD1-CB 4.33Å; Y764-A787 HydrophobicContact CD2-CB 4.04Å; Y764-A787 HydrophobicContact CE1-CB 4.03Å; Y764-A787 HydrophobicContact CE2-CB 3.67Å; Y764-A787 HydrophobicContact CG-CB 4.35Å; A787-V845 HydrophobicContact CB-CG2 4.16Å
788	K	95.5	Very high	91.5	Very high	100 Å²	100	64.3 Å²	64.3	44%	0.435	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	143.5	177.2	-64.8	-174.8	177.1	-177.8	0	110.7	M762 Y763 I765 H786	M762-K788 WeakPolarHBondContact CA-O 3.17Å; M762-K788 WeakPolarHBondContact CB-O 3.31Å; Y763-K788 HydrophobicContact CE1-CB 4.29Å; Y763-K788 HydrophobicContact CE2-CB 4.15Å; Y763-K788 HydrophobicContact CE2-CD 4.25Å; Y763-K788 PolarHBondContact N-O 2.82Å; Y763-K788 VanDerWaalsContact N-O 3.13Å; Y763-K788 PolarHBondContact O-N 2.93Å; I765-K788 HydrophobicContact CG1-CD 4.13Å; H786-K788 PolarHBondContact O-N 2.83Å
789	R	93.1	Very high	91.2	Very high	106 Å²	106	67.9 Å²	67.9	40%	0.4	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	150.9	170.4	-63.1	-175.7	-175.2	-105.2	-16.5	110.2	N739 E760 M762	N739-R789 PolarHBondContact OD1-NH1 2.9Å; E760-R789 VanDerWaalsContact OE1-CD 3.31Å; E760-R789 WeakPolarHBondContact OE1-CD 3.09Å; E760-R789 VanDerWaalsContact OE1-CG 3.31Å; E760-R789 WeakPolarHBondContact OE1-CG 3.3Å; E760-R789 IonicContact OE1-CZ 3.41Å; E760-R789 VanDerWaalsContact OE1-CZ 3.25Å; E760-R789 IonicContact OE1-NE 3.08Å; E760-R789 IonicContact OE1-NH1 3.99Å; E760-R789 PolarHBondContact OE1-NH1 3.09Å; E760-R789 IonicContact OE2-CZ 2.72Å; E760-R789 IonicContact OE2-NH1 3.1Å; E760-R789 PolarHBondContact OE2-NH1 3.39Å; E760-R789 IonicContact OE2-NH2 3.58Å; E760-R789 PolarHBondContact OE2-NH2 3.21Å; M762-R789 HydrophobicContact CE-CG 3.69Å
790	F	91.6	Very high	90.9	Very high	20 Å²	20	69 Å²	69	9%	0.088	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-77.1	149.2	167.6	-64.8	-99.3	0	0	0	110.4	L761 Y763 I793 Y810 W813 A814	L761-F790 HydrophobicContact CB-CE2 4.3Å; L761-F790 HydrophobicContact CD2-CE2 4.22Å; L761-F790 HydrophobicContact CD2-CZ 4.4Å; L761-F790 HydrophobicContact CG-CE2 4.01Å; L761-F790 WeakPolarHBondContact O-CD2 3.35Å; Y763-F790 HydrophobicContact CD1-CD1 4.45Å; Y763-F790 HydrophobicContact CD1-CD2 4.19Å; Y763-F790 AromaticContact CD1-CE1 3.96Å; Y763-F790 HydrophobicContact CD1-CE1 3.96Å; Y763-F790 AromaticContact CD1-CE2 3.65Å; Y763-F790 HydrophobicContact CD1-CE2 3.65Å; Y763-F790 AromaticContact CD1-CZ 3.52Å; Y763-F790 HydrophobicContact CD1-CZ 3.52Å; Y763-F790 HydrophobicContact CE1-CD1 4.12Å; Y763-F790 HydrophobicContact CE1-CD2 4.33Å; Y763-F790 AromaticContact CE1-CE1 3.97Å; Y763-F790 HydrophobicContact CE1-CE1 3.97Å; Y763-F790 HydrophobicContact CE1-CE2 4.19Å; Y763-F790 HydrophobicContact CE1-CG 4.3Å; Y763-F790 HydrophobicContact CE1-CZ 4.01Å; F790-I793 HydrophobicContact CB-CG1 4.38Å; F790-Y810 HydrophobicContact CB-CD1 3.92Å; F790-Y810 WeakPolarHBondContact CD1-O 3.34Å; F790-Y810 AromaticContact CD2-CD1 3.67Å; F790-Y810 HydrophobicContact CD2-CD1 3.67Å; F790-Y810 HydrophobicContact CD2-CG 4.16Å; F790-Y810 HydrophobicContact CE2-CD1 4.42Å; F790-Y810 AromaticContact CG-CD1 3.94Å; F790-Y810 HydrophobicContact CG-CD1 3.94Å; F790-Y810 HydrophobicContact CG-CG 4.34Å; F790-W813 AromaticContact CE1-CH2 3.79Å; F790-W813 HydrophobicContact CE1-CH2 3.79Å; F790-W813 AromaticContact CE1-CZ2 3.56Å; F790-W813 HydrophobicContact CE1-CZ2 3.56Å; F790-W813 AromaticContact CZ-CH2 3.72Å; F790-W813 HydrophobicContact CZ-CH2 3.72Å; F790-W813 HydrophobicContact CZ-CZ2 4Å; F790-W813 HydrophobicContact CZ-CZ3 4.38Å; F790-A814 HydrophobicContact CE1-CB 4Å; F790-A814 HydrophobicContact CZ-CB 3.92Å
791	H	82.7	Confident	90.6	Very high	183 Å²	183	72.5 Å²	72.5	85%	0.847	36%	0.364	S	S	*	.	S	Bend	trans	-94.9	-37.9	-175	-62.5	83.1	0	0	0	113.2
792	S	75.8	Confident	90.5	Very high	101 Å²	101	73.6 Å²	73.6	71%	0.706	37%	0.37	S	S	*	.			trans	-105.8	111.2	-179.1	-169.4	0	0	0	0	109.4	Y810	S792-Y810 CarbonylContact O-C 3.45Å
793	I	81.5	Confident	90.5	Very high	11 Å²	11	71.2 Å²	71.2	6%	0.056	36%	0.359	C	S	.	.			trans	-128	122.6	-177.3	-57.1	175.3	0	0	0	108.2	K740 F790 I808 E809 Y810	K740-I793 HydrophobicContact CB-CB 3.94Å; K740-I793 HydrophobicContact CB-CD1 4.04Å; K740-I793 HydrophobicContact CB-CG2 3.98Å; K740-I793 HydrophobicContact CD-CB 3.86Å; K740-I793 HydrophobicContact CD-CG2 4.45Å; K740-I793 WeakPolarHBondContact CD-O 3.13Å; K740-I793 PolarHBondContact NZ-O 2.91Å; K740-I793 WeakPolarHBondContact O-CD1 3.34Å; F790-I793 HydrophobicContact CB-CG1 4.38Å; I793-I808 HydrophobicContact CG2-CG2 3.33Å; I793-E809 WeakPolarHBondContact CA-O 3.42Å; I793-Y810 HydrophobicContact CD1-CD1 3.79Å; I793-Y810 HydrophobicContact CD1-CE1 3.73Å; I793-Y810 HydrophobicContact CG1-CD1 3.89Å; I793-Y810 HydrophobicContact CG1-CE1 4.27Å
794	H	85.5	Confident	90.7	Very high	117 Å²	117	62.7 Å²	62.7	54%	0.542	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126	171.2	-178.1	72.7	0	0	0	108.9	I808 E809	H794-I808 CarbonylContact O-C 3.58Å; H794-I808 WeakPolarHBondContact O-CA 3.37Å; H794-E809 PolarHBondContact N-O 3.35Å; H794-E809 PolarHBondContact O-N 2.68Å
795	G	87	Confident	90.8	Very high	14 Å²	14	59.2 Å²	59.2	14%	0.144	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.6	-177.2	0	0	0	0	0	111.6	Y807	G795-Y807 CarbonylContact C-O 3.55Å; G795-Y807 VanDerWaalsContact CA-O 3.22Å; G795-Y807 WeakPolarHBondContact CA-O 3.36Å
796	I	90.4	Very high	90.8	Very high	82 Å²	82	57.5 Å²	57.5	42%	0.421	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.5	174.8	63.5	172	0	0	0	109.4	A806 Y807	I796-A806 CarbonylContact O-C 3.57Å; I796-A806 WeakPolarHBondContact O-CA 3.44Å; I796-Y807 HydrophobicContact CD1-CD1 4.47Å; I796-Y807 HydrophobicContact CG1-CD1 4.21Å; I796-Y807 PolarHBondContact N-O 2.85Å; I796-Y807 PolarHBondContact O-N 3.41Å
797	I	90.8	Very high	90.6	Very high	49 Å²	49	53.8 Å²	53.8	25%	0.251	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122	171.9	-56.9	-175.8	0	0	0	108.8	E805 A806	I797-E805 CarbonylContact C-O 3.58Å; I797-E805 VanDerWaalsContact CA-O 3.3Å; I797-E805 WeakPolarHBondContact CA-O 3.37Å; I797-A806 HydrophobicContact CD1-CB 4.45Å; I797-A806 HydrophobicContact CG1-CB 3.9Å
798	T	91.1	Very high	90.4	Very high	74 Å²	74	53.3 Å²	53.3	45%	0.454	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.6	171.6	-53.8	0	0	0	0	108.6	D804 E805	T798-D804 WeakPolarHBondContact O-CA 3.25Å; T798-E805 PolarHBondContact N-O 3.26Å; T798-E805 PolarHBondContact O-N 2.93Å
799	R	91.5	Very high	90.3	Very high	75 Å²	75	50.6 Å²	50.6	28%	0.283	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.1	177.8	-57.8	-63.2	-179.2	172.5	-6.4	108.3	L731 D804	L731-R799 PolarHBondContact O-NH1 2.87Å; L731-R799 PolarHBondContact O-NH2 3.47Å; R799-D804 WeakPolarHBondContact CA-OD1 3.45Å; R799-D804 VanDerWaalsContact CD-CG 3.4Å; R799-D804 WeakPolarHBondContact CD-OD1 3.36Å; R799-D804 VanDerWaalsContact CD-OD2 3.25Å; R799-D804 WeakPolarHBondContact CD-OD2 3.5Å; R799-D804 IonicContact CZ-OD2 3.47Å; R799-D804 IonicContact NE-OD2 3.31Å; R799-D804 IonicContact NH1-OD2 2.65Å; R799-D804 PolarHBondContact NH1-OD2 3.46Å
800	G	91.3	Very high	90.3	Very high	22 Å²	22	45.8 Å²	45.8	23%	0.227	25%	0.247	C	C	.	.			trans	-106.8	179.2	-177.3	0	0	0	0	0	113.3	Q596 V803 H822	Q596-G800 VanDerWaalsContact OE1-CA 3.25Å; G800-V803 VanDerWaalsContact CA-O 3.29Å; G800-V803 WeakPolarHBondContact CA-O 3.39Å; G800-V803 PolarHBondContact N-O 2.91Å; G800-V803 VanDerWaalsContact N-O 3.11Å; G800-H822 PolarHBondContact O-CE1 2.9Å; G800-H822 PolarHBondContact O-NE2 3.48Å
801	S	91.5	Very high	90.4	Very high	81 Å²	81	46.2 Å²	46.2	57%	0.566	25%	0.253	S	S	*	.	S	Bend	trans	-81.1	-21.8	177	56.3	0	0	0	0	113.5	Q596 H822	Q596-S801 VanDerWaalsContact OE1-N 3.08Å; S801-H822 PolarHBondContact O-CE1 3.45Å; S801-H822 PolarHBondContact O-ND1 3.46Å
802	L	94.5	Very high	90.9	Very high	27 Å²	27	41.8 Å²	41.8	14%	0.141	24%	0.242	C	C	.	.	S	Bend	trans	-122	-29	-179.1	-60.3	-179.2	0	0	0	112.7	W552 P594 Q596 H822	W552-L802 HydrophobicContact CH2-CB 4.23Å; W552-L802 HydrophobicContact CZ3-CB 4.01Å; W552-L802 HydrophobicContact CZ3-CD1 4.22Å; P594-L802 HydrophobicContact CB-CD1 4.43Å; P594-L802 HydrophobicContact CB-CD2 3.93Å; Q596-L802 HydrophobicContact CB-CB 4.31Å; Q596-L802 HydrophobicContact CB-CD1 4.19Å; Q596-L802 HydrophobicContact CB-CG 4.37Å; L802-H822 WeakPolarHBondContact O-CB 3.38Å; L802-H822 PolarHBondContact O-CD2 3.17Å; L802-H822 PolarHBondContact O-N 3.31Å
803	V	95.7	Very high	91.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	139.5	-177	64.5	0	0	0	0	111.5	Q596 L622 G800 E805 R819 Y821	Q596-V803 PolarHBondContact NE2-O 3.23Å; Q596-V803 VanDerWaalsContact NE2-O 3.14Å; Q596-V803 PolarHBondContact OE1-O 2.61Å; L622-V803 HydrophobicContact CD2-CB 4.1Å; L622-V803 HydrophobicContact CD2-CG1 3.36Å; G800-V803 VanDerWaalsContact CA-O 3.29Å; G800-V803 WeakPolarHBondContact CA-O 3.39Å; G800-V803 PolarHBondContact N-O 2.91Å; G800-V803 VanDerWaalsContact N-O 3.11Å; V803-E805 HydrophobicContact CG1-CG 4.19Å; V803-E805 HydrophobicContact CG2-CG 4.32Å; V803-R819 HydrophobicContact CG2-CB 3.75Å; V803-R819 HydrophobicContact CG2-CG 4.43Å; V803-Y821 HydrophobicContact CB-CD1 3.83Å; V803-Y821 HydrophobicContact CB-CE1 4.24Å; V803-Y821 HydrophobicContact CG2-CD1 3.75Å; V803-Y821 HydrophobicContact CG2-CE1 4.01Å; V803-Y821 HydrophobicContact CG2-CG 4.11Å
804	D	95.1	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.7	165	-72.3	-5.7	0	0	0	109.3	L731 T798 R799 R819 L820 H822	L731-D804 HydrophobicContact CD2-CB 4.33Å; T798-D804 WeakPolarHBondContact O-CA 3.25Å; R799-D804 WeakPolarHBondContact CA-OD1 3.45Å; R799-D804 VanDerWaalsContact CD-CG 3.4Å; R799-D804 WeakPolarHBondContact CD-OD1 3.36Å; R799-D804 VanDerWaalsContact CD-OD2 3.25Å; R799-D804 WeakPolarHBondContact CD-OD2 3.5Å; R799-D804 IonicContact CZ-OD2 3.47Å; R799-D804 IonicContact NE-OD2 3.31Å; R799-D804 IonicContact NH1-OD2 2.65Å; R799-D804 PolarHBondContact NH1-OD2 3.46Å; D804-R819 WeakPolarHBondContact O-CA 3.21Å; D804-L820 HydrophobicContact CB-CB 4.5Å; D804-L820 PolarHBondContact N-O 3.33Å; D804-L820 PolarHBondContact O-N 2.78Å; D804-H822 IonicContact OD1-NE2 3.98Å; D804-H822 PolarHBondContact OD1-NE2 2.75Å
805	E	94.5	Very high	93	Very high	21 Å²	21	31.7 Å²	31.7	10%	0.098	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.9	179.6	-62.6	-168.2	123.5	0	0	110.9	N598 I797 T798 V803 V818 R819	N598-E805 WeakPolarHBondContact CB-OE2 3.44Å; N598-E805 VanDerWaalsContact CG-CD 3.49Å; N598-E805 VanDerWaalsContact CG-OE2 3.26Å; N598-E805 PolarHBondContact ND2-OE1 2.74Å; N598-E805 PolarHBondContact ND2-OE2 3.19Å; I797-E805 CarbonylContact C-O 3.58Å; I797-E805 VanDerWaalsContact CA-O 3.3Å; I797-E805 WeakPolarHBondContact CA-O 3.37Å; T798-E805 PolarHBondContact N-O 3.26Å; T798-E805 PolarHBondContact O-N 2.93Å; V803-E805 HydrophobicContact CG1-CG 4.19Å; V803-E805 HydrophobicContact CG2-CG 4.32Å; E805-V818 WeakPolarHBondContact CA-O 2.91Å; E805-R819 HydrophobicContact CG-CG 4.13Å; E805-R819 WeakPolarHBondContact OE1-CD 3.47Å; E805-R819 IonicContact OE1-CZ 2.68Å; E805-R819 IonicContact OE1-NE 3.12Å; E805-R819 PolarHBondContact OE1-NE 3.22Å; E805-R819 IonicContact OE1-NH2 3.88Å
806	A	93.8	Very high	93.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.3	166.7	0	0	0	0	0	109.5	L731 I742 I796 I797 I817 V818	L731-A806 HydrophobicContact CD1-CB 4.37Å; L731-A806 HydrophobicContact CD2-CB 3.59Å; L731-A806 HydrophobicContact CG-CB 4.05Å; I742-A806 HydrophobicContact CD1-CB 3.47Å; I742-A806 VanDerWaalsContact CD1-CB 3.47Å; I742-A806 HydrophobicContact CG1-CB 3.81Å; I796-A806 CarbonylContact O-C 3.57Å; I796-A806 WeakPolarHBondContact O-CA 3.44Å; I797-A806 HydrophobicContact CD1-CB 4.45Å; I797-A806 HydrophobicContact CG1-CB 3.9Å; A806-I817 CarbonylContact O-C 3.6Å; A806-I817 WeakPolarHBondContact O-CA 3.19Å; A806-V818 HydrophobicContact CB-CB 4.45Å; A806-V818 PolarHBondContact N-O 3.23Å; A806-V818 PolarHBondContact O-N 3.32Å
807	Y	93.5	Very high	93.7	Very high	34 Å²	34	27.6 Å²	27.6	13%	0.133	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.3	172.8	169.9	-102.8	0	0	0	109.4	N601 G795 I796 E809 I817	N601-Y807 HydrophobicContact CB-CD2 3.88Å; N601-Y807 HydrophobicContact CB-CE2 3.64Å; G795-Y807 CarbonylContact C-O 3.55Å; G795-Y807 VanDerWaalsContact CA-O 3.22Å; G795-Y807 WeakPolarHBondContact CA-O 3.36Å; I796-Y807 HydrophobicContact CD1-CD1 4.47Å; I796-Y807 HydrophobicContact CG1-CD1 4.21Å; I796-Y807 PolarHBondContact N-O 2.85Å; I796-Y807 PolarHBondContact O-N 3.41Å; Y807-E809 HydrophobicContact CE1-CB 4.03Å; Y807-E809 PolarHBondContact OH-OE2 3.5Å; Y807-I817 HydrophobicContact CD2-CD1 4.43Å; Y807-I817 HydrophobicContact CD2-CG1 3.87Å
808	I	92.4	Very high	94	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125	170.9	-65.5	179.2	0	0	0	110.3	Y733 I742 I793 H794 Y810 S815 L816	Y733-I808 HydrophobicContact CD2-CD1 3.99Å; Y733-I808 HydrophobicContact CD2-CG1 4.4Å; Y733-I808 HydrophobicContact CE2-CD1 3.78Å; Y733-I808 HydrophobicContact CE2-CG1 4.14Å; I742-I808 HydrophobicContact CB-CD1 4.19Å; I742-I808 HydrophobicContact CD1-CD1 3.35Å; I742-I808 HydrophobicContact CD1-CG1 3.66Å; I742-I808 HydrophobicContact CG1-CD1 3.4Å; I742-I808 HydrophobicContact CG1-CG1 4.08Å; I793-I808 HydrophobicContact CG2-CG2 3.33Å; H794-I808 CarbonylContact O-C 3.58Å; H794-I808 WeakPolarHBondContact O-CA 3.37Å; I808-Y810 HydrophobicContact CB-CD2 4.2Å; I808-Y810 HydrophobicContact CB-CE2 3.82Å; I808-Y810 HydrophobicContact CD1-CE2 4.43Å; I808-Y810 HydrophobicContact CG2-CD2 3.48Å; I808-Y810 VanDerWaalsContact CG2-CD2 3.48Å; I808-Y810 HydrophobicContact CG2-CE1 4.42Å; I808-Y810 HydrophobicContact CG2-CE2 3.33Å; I808-Y810 HydrophobicContact CG2-CG 4.09Å; I808-S815 CarbonylContact O-C 3.5Å; I808-S815 WeakPolarHBondContact O-CA 3.31Å; I808-S815 WeakPolarHBondContact O-CB 3.42Å; I808-L816 PolarHBondContact N-O 3.19Å; I808-L816 PolarHBondContact O-N 2.75Å
809	E	93.1	Very high	94.2	Very high	43 Å²	43	21.9 Å²	21.9	20%	0.201	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.3	163.9	-166.9	167.3	159.2	0	0	108.9	K602 I793 H794 Y807	K602-E809 IonicContact NZ-OE1 3.24Å; K602-E809 PolarHBondContact NZ-OE1 2.87Å; K602-E809 IonicContact NZ-OE2 3.8Å; I793-E809 WeakPolarHBondContact CA-O 3.42Å; H794-E809 PolarHBondContact N-O 3.35Å; H794-E809 PolarHBondContact O-N 2.68Å; Y807-E809 HydrophobicContact CE1-CB 4.03Å; Y807-E809 PolarHBondContact OH-OE2 3.5Å
810	Y	93.3	Very high	94.5	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.02	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-24.3	176.3	-76.4	-93.1	0	0	0	112.2	L761 F790 S792 I793 I808 A814 L816	L761-Y810 HydrophobicContact CB-CD1 4.1Å; L761-Y810 HydrophobicContact CB-CD2 3.82Å; L761-Y810 HydrophobicContact CB-CE1 3.93Å; L761-Y810 HydrophobicContact CB-CE2 3.63Å; L761-Y810 HydrophobicContact CB-CG 4.06Å; L761-Y810 HydrophobicContact CD2-CD2 3.89Å; L761-Y810 HydrophobicContact CD2-CE2 4.43Å; L761-Y810 HydrophobicContact CD2-CG 4.16Å; L761-Y810 PolarHBondContact N-OH 3.44Å; F790-Y810 HydrophobicContact CB-CD1 3.92Å; F790-Y810 WeakPolarHBondContact CD1-O 3.34Å; F790-Y810 AromaticContact CD2-CD1 3.67Å; F790-Y810 HydrophobicContact CD2-CD1 3.67Å; F790-Y810 HydrophobicContact CD2-CG 4.16Å; F790-Y810 HydrophobicContact CE2-CD1 4.42Å; F790-Y810 AromaticContact CG-CD1 3.94Å; F790-Y810 HydrophobicContact CG-CD1 3.94Å; F790-Y810 HydrophobicContact CG-CG 4.34Å; S792-Y810 CarbonylContact O-C 3.45Å; I793-Y810 HydrophobicContact CD1-CD1 3.79Å; I793-Y810 HydrophobicContact CD1-CE1 3.73Å; I793-Y810 HydrophobicContact CG1-CD1 3.89Å; I793-Y810 HydrophobicContact CG1-CE1 4.27Å; I808-Y810 HydrophobicContact CB-CD2 4.2Å; I808-Y810 HydrophobicContact CB-CE2 3.82Å; I808-Y810 HydrophobicContact CD1-CE2 4.43Å; I808-Y810 HydrophobicContact CG2-CD2 3.48Å; I808-Y810 VanDerWaalsContact CG2-CD2 3.48Å; I808-Y810 HydrophobicContact CG2-CE1 4.42Å; I808-Y810 HydrophobicContact CG2-CE2 3.33Å; I808-Y810 HydrophobicContact CG2-CG 4.09Å; Y810-A814 PolarHBondContact N-O 3.04Å; Y810-L816 HydrophobicContact CD2-CG 4.4Å; Y810-L816 HydrophobicContact CE2-CB 4.09Å; Y810-L816 HydrophobicContact CE2-CD1 3.78Å; Y810-L816 HydrophobicContact CE2-CG 3.81Å
811	S	93.8	Very high	94.7	Very high	30 Å²	30	17.5 Å²	17.5	21%	0.21	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	166.4	-176.4	176.2	0	0	0	0	109.2	W813 A814	S811-W813 PolarHBondContact O-N 2.66Å; S811-W813 VanDerWaalsContact O-N 3.09Å; S811-W813 PolarHBondContact OG-N 3.08Å; S811-W813 PolarHBondContact OG-NE1 2.85Å; S811-A814 PolarHBondContact N-O 3.07Å; S811-A814 VanDerWaalsContact N-O 3.15Å; S811-A814 PolarHBondContact O-N 2.95Å
812	S	92.2	Very high	94.7	Very high	89 Å²	89	16.8 Å²	16.8	62%	0.622	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.1	169.1	56.8	0	0	0	0	113.9
813	W	94.5	Very high	94.6	Very high	16 Å²	16	18.3 Å²	18.3	6%	0.061	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	3.3	-179.6	61.7	-93.3	0	0	0	114.3	Y763 F790 S811 I832 G833 P834 F835 P836	Y763-W813 HydrophobicContact CD1-CH2 4.44Å; F790-W813 AromaticContact CE1-CH2 3.79Å; F790-W813 HydrophobicContact CE1-CH2 3.79Å; F790-W813 AromaticContact CE1-CZ2 3.56Å; F790-W813 HydrophobicContact CE1-CZ2 3.56Å; F790-W813 AromaticContact CZ-CH2 3.72Å; F790-W813 HydrophobicContact CZ-CH2 3.72Å; F790-W813 HydrophobicContact CZ-CZ2 4Å; F790-W813 HydrophobicContact CZ-CZ3 4.38Å; S811-W813 PolarHBondContact O-N 2.66Å; S811-W813 VanDerWaalsContact O-N 3.09Å; S811-W813 PolarHBondContact OG-N 3.08Å; S811-W813 PolarHBondContact OG-NE1 2.85Å; W813-I832 HydrophobicContact CE3-CG2 4.1Å; W813-I832 HydrophobicContact CZ3-CG2 4.02Å; W813-I832 CarbonylContact O-C 3.55Å; W813-I832 WeakPolarHBondContact O-CA 3.42Å; W813-G833 PolarHBondContact O-N 3.48Å; W813-P834 WeakPolarHBondContact CB-O 3.13Å; W813-F835 AromaticContact CE3-CD1 3.88Å; W813-F835 HydrophobicContact CE3-CD1 3.88Å; W813-F835 HydrophobicContact CE3-CE1 4.09Å; W813-F835 HydrophobicContact CH2-CD1 4.21Å; W813-F835 HydrophobicContact CH2-CE1 4.18Å; W813-F835 AromaticContact CZ3-CD1 3.66Å; W813-F835 HydrophobicContact CZ3-CD1 3.66Å; W813-F835 AromaticContact CZ3-CE1 3.52Å; W813-F835 HydrophobicContact CZ3-CE1 3.52Å; W813-P836 HydrophobicContact CD2-CG 4.45Å; W813-P836 HydrophobicContact CG-CG 4.14Å; W813-P836 VanDerWaalsContact NE1-CG 3.31Å
814	A	96.1	Very high	94.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	125.2	-173.3	0	0	0	0	0	112.7	L761 F790 Y810 S811	L761-A814 HydrophobicContact CD2-CB 3.78Å; F790-A814 HydrophobicContact CE1-CB 4Å; F790-A814 HydrophobicContact CZ-CB 3.92Å; Y810-A814 PolarHBondContact N-O 3.04Å; S811-A814 PolarHBondContact N-O 3.07Å; S811-A814 VanDerWaalsContact N-O 3.15Å; S811-A814 PolarHBondContact O-N 2.95Å
815	S	95.9	Very high	94.4	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.4	179	62.1	0	0	0	0	112.7	R603 I808 T831	R603-S815 WeakPolarHBondContact CB-OG 3.4Å; I808-S815 CarbonylContact O-C 3.5Å; I808-S815 WeakPolarHBondContact O-CA 3.31Å; I808-S815 WeakPolarHBondContact O-CB 3.42Å; S815-T831 PolarHBondContact N-O 2.91Å; S815-T831 PolarHBondContact O-N 3.37Å
816	L	96.1	Very high	94.5	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.9	172.2	-71.2	-174.3	0	0	0	110.7	I759 L761 I808 Y810 V828 E829 W830 V846	I759-L816 HydrophobicContact CG2-CD1 4.26Å; L761-L816 HydrophobicContact CB-CD1 3.87Å; L761-L816 HydrophobicContact CB-CG 4.09Å; L761-L816 HydrophobicContact CD1-CD2 4.11Å; L761-L816 HydrophobicContact CD1-CG 4.41Å; L761-L816 HydrophobicContact CD2-CG 4.35Å; I808-L816 PolarHBondContact N-O 3.19Å; I808-L816 PolarHBondContact O-N 2.75Å; Y810-L816 HydrophobicContact CD2-CG 4.4Å; Y810-L816 HydrophobicContact CE2-CB 4.09Å; Y810-L816 HydrophobicContact CE2-CD1 3.78Å; Y810-L816 HydrophobicContact CE2-CG 3.81Å; L816-V828 HydrophobicContact CD2-CG1 4.15Å; L816-E829 CarbonylContact C-O 3.57Å; L816-E829 WeakPolarHBondContact CA-O 3.43Å; L816-W830 HydrophobicContact CD2-CB 3.44Å; L816-W830 VanDerWaalsContact CD2-CB 3.44Å; L816-V846 HydrophobicContact CD1-CG2 4.42Å
817	I	96	Very high	94.7	Very high	9 Å²	9	20.3 Å²	20.3	5%	0.046	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.1	162.1	-59.7	172.2	0	0	0	108	N601 A806 Y807 R819 V828 E829	N601-I817 HydrophobicContact CB-CD1 4.14Å; N601-I817 WeakPolarHBondContact ND2-CD1 3.47Å; A806-I817 CarbonylContact O-C 3.6Å; A806-I817 WeakPolarHBondContact O-CA 3.19Å; Y807-I817 HydrophobicContact CD2-CD1 4.43Å; Y807-I817 HydrophobicContact CD2-CG1 3.87Å; I817-R819 HydrophobicContact CG2-CG 3.81Å; I817-V828 CarbonylContact O-C 3.49Å; I817-V828 WeakPolarHBondContact O-CA 3.34Å; I817-E829 HydrophobicContact CB-CB 4.26Å; I817-E829 PolarHBondContact N-O 3.32Å; I817-E829 PolarHBondContact O-N 3.21Å
818	V	96.8	Very high	94.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.2	171.5	-177	0	0	0	0	108.3	L731 I742 I759 E805 A806 L826 E827 V828	L731-V818 HydrophobicContact CD1-CB 4.37Å; L731-V818 HydrophobicContact CD1-CG1 3.85Å; I742-V818 HydrophobicContact CB-CG2 4.32Å; I742-V818 HydrophobicContact CD1-CB 3.91Å; I742-V818 HydrophobicContact CD1-CG2 3.42Å; I742-V818 VanDerWaalsContact CD1-CG2 3.42Å; I742-V818 HydrophobicContact CG1-CG2 4.4Å; I742-V818 HydrophobicContact CG2-CB 4.16Å; I742-V818 HydrophobicContact CG2-CG1 4.2Å; I742-V818 HydrophobicContact CG2-CG2 3.95Å; I759-V818 HydrophobicContact CD1-CG1 3.92Å; I759-V818 HydrophobicContact CD1-CG2 4.07Å; I759-V818 HydrophobicContact CG2-CG2 4.46Å; E805-V818 WeakPolarHBondContact CA-O 2.91Å; A806-V818 HydrophobicContact CB-CB 4.45Å; A806-V818 PolarHBondContact N-O 3.23Å; A806-V818 PolarHBondContact O-N 3.32Å; V818-L826 HydrophobicContact CG1-CD1 3.72Å; V818-E827 CarbonylContact C-O 3.55Å; V818-E827 WeakPolarHBondContact CA-O 3.26Å; V818-V828 HydrophobicContact CG1-CG2 4.24Å; V818-V828 HydrophobicContact CG2-CG1 4.46Å; V818-V828 HydrophobicContact CG2-CG2 4.01Å
819	R	96.4	Very high	95.2	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.011	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.9	-179	-57.4	-166.7	173.3	82.9	0.6	109.5	V803 D804 E805 I817 Y821 L826 E827 E829	V803-R819 HydrophobicContact CG2-CB 3.75Å; V803-R819 HydrophobicContact CG2-CG 4.43Å; D804-R819 WeakPolarHBondContact O-CA 3.21Å; E805-R819 HydrophobicContact CG-CG 4.13Å; E805-R819 WeakPolarHBondContact OE1-CD 3.47Å; E805-R819 IonicContact OE1-CZ 2.68Å; E805-R819 IonicContact OE1-NE 3.12Å; E805-R819 PolarHBondContact OE1-NE 3.22Å; E805-R819 IonicContact OE1-NH2 3.88Å; I817-R819 HydrophobicContact CG2-CG 3.81Å; R819-Y821 HydrophobicContact CB-CE2 4.09Å; R819-L826 WeakPolarHBondContact O-CA 3.43Å; R819-E827 HydrophobicContact CB-CB 4.24Å; R819-E827 IonicContact CZ-OE1 2.7Å; R819-E827 PolarHBondContact N-O 2.91Å; R819-E827 IonicContact NE-OE1 3.58Å; R819-E827 IonicContact NH1-OE1 3.25Å; R819-E827 PolarHBondContact NH1-OE1 2.89Å; R819-E827 PolarHBondContact O-N 2.87Å; R819-E829 IonicContact CZ-OE2 2.68Å; R819-E829 IonicContact NH1-OE2 3.84Å; R819-E829 PolarHBondContact NH1-OE2 3Å; R819-E829 IonicContact NH2-OE2 3.63Å; R819-E829 PolarHBondContact NH2-OE2 2.84Å; R819-E829 VanDerWaalsContact NH2-OE2 3.1Å
820	L	96.8	Very high	95.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	99	170.8	179.1	65.2	0	0	0	108	I722 L729 L731 L744 D804 L826	I722-L820 HydrophobicContact CD1-CB 4.47Å; I722-L820 HydrophobicContact CD1-CD1 4.49Å; I722-L820 HydrophobicContact CD1-CD2 3.62Å; I722-L820 HydrophobicContact CD1-CG 3.53Å; L729-L820 HydrophobicContact CB-CD1 4.21Å; L729-L820 HydrophobicContact CB-CD2 4.11Å; L729-L820 HydrophobicContact CD1-CD1 3.96Å; L731-L820 HydrophobicContact CB-CB 4.44Å; L731-L820 HydrophobicContact CB-CD2 4.12Å; L731-L820 HydrophobicContact CD2-CB 4.47Å; L744-L820 HydrophobicContact CD1-CD1 4.2Å; L744-L820 HydrophobicContact CD1-CD2 3.79Å; D804-L820 HydrophobicContact CB-CB 4.5Å; D804-L820 PolarHBondContact N-O 3.33Å; D804-L820 PolarHBondContact O-N 2.78Å; L820-L826 HydrophobicContact CB-CD1 4.34Å; L820-L826 HydrophobicContact CD1-CD1 4.27Å
821	Y	95.8	Very high	95.6	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.016	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.2	178.9	-63.7	-83.2	0	0	0	109.9	W552 L622 V803 R819 N823 G824 E825 E827	W552-Y821 HydrophobicContact CB-CE1 3.94Å; W552-Y821 AromaticContact CD1-CD1 3.81Å; W552-Y821 AromaticContact CD1-CE1 3.83Å; W552-Y821 AromaticContact CD1-CG 3.98Å; W552-Y821 AromaticContact CD1-CZ 4Å; W552-Y821 AromaticContact CD2-CD1 3.4Å; W552-Y821 HydrophobicContact CD2-CD1 3.4Å; W552-Y821 VanDerWaalsContact CD2-CD1 3.4Å; W552-Y821 AromaticContact CD2-CE1 3.57Å; W552-Y821 HydrophobicContact CD2-CE1 3.57Å; W552-Y821 HydrophobicContact CD2-CG 4.19Å; W552-Y821 AromaticContact CE2-CD1 3.32Å; W552-Y821 AromaticContact CE2-CE1 3.98Å; W552-Y821 AromaticContact CE2-CG 3.69Å; W552-Y821 AromaticContact CE3-CD1 3.92Å; W552-Y821 HydrophobicContact CE3-CD1 3.92Å; W552-Y821 HydrophobicContact CE3-CE1 4.06Å; W552-Y821 AromaticContact CG-CD1 3.72Å; W552-Y821 HydrophobicContact CG-CD1 3.72Å; W552-Y821 AromaticContact CG-CE1 3.49Å; W552-Y821 HydrophobicContact CG-CE1 3.49Å; W552-Y821 VanDerWaalsContact CG-CE1 3.49Å; W552-Y821 HydrophobicContact CG-CG 4.35Å; W552-Y821 AromaticContact CG-CZ 3.92Å; W552-Y821 HydrophobicContact CH2-CD1 4.22Å; W552-Y821 AromaticContact CZ2-CD1 3.78Å; W552-Y821 HydrophobicContact CZ2-CD1 3.78Å; W552-Y821 HydrophobicContact CZ2-CG 4.1Å; W552-Y821 HydrophobicContact CZ3-CD1 4.29Å; W552-Y821 AromaticContact NE1-CD1 3.58Å; W552-Y821 AromaticContact NE1-CG 3.56Å; L622-Y821 HydrophobicContact CD1-CE1 4.13Å; L622-Y821 HydrophobicContact CD2-CE1 4.02Å; V803-Y821 HydrophobicContact CB-CD1 3.83Å; V803-Y821 HydrophobicContact CB-CE1 4.24Å; V803-Y821 HydrophobicContact CG2-CD1 3.75Å; V803-Y821 HydrophobicContact CG2-CE1 4.01Å; V803-Y821 HydrophobicContact CG2-CG 4.11Å; R819-Y821 HydrophobicContact CB-CE2 4.09Å; Y821-N823 WeakPolarHBondContact CB-OD1 3.33Å; Y821-N823 PolarHBondContact O-N 2.65Å; Y821-N823 VanDerWaalsContact O-N 3.12Å; Y821-G824 WeakPolarHBondContact O-CA 3.18Å; Y821-G824 PolarHBondContact O-N 2.83Å; Y821-E825 HydrophobicContact CD2-CB 3.91Å; Y821-E825 WeakPolarHBondContact CD2-O 3.41Å; Y821-E825 HydrophobicContact CG-CB 4.45Å; Y821-E825 PolarHBondContact N-O 2.91Å; Y821-E827 HydrophobicContact CE2-CB 3.89Å; Y821-E827 PolarHBondContact OH-OE2 2.82Å
822	H	93.1	Very high	95.8	Very high	67 Å²	67	15.1 Å²	15.1	31%	0.31	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.6	-175.1	-72.9	-163.1	0	0	0	113.8	G800 S801 L802 D804 G824	G800-H822 PolarHBondContact O-CE1 2.9Å; G800-H822 PolarHBondContact O-NE2 3.48Å; S801-H822 PolarHBondContact O-CE1 3.45Å; S801-H822 PolarHBondContact O-ND1 3.46Å; L802-H822 WeakPolarHBondContact O-CB 3.38Å; L802-H822 PolarHBondContact O-CD2 3.17Å; L802-H822 PolarHBondContact O-N 3.31Å; D804-H822 IonicContact OD1-NE2 3.98Å; D804-H822 PolarHBondContact OD1-NE2 2.75Å; H822-G824 VanDerWaalsContact C-N 3.3Å
823	N	91.4	Very high	95.9	Very high	59 Å²	59	10.9 Å²	10.9	32%	0.316	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	2.9	166.8	70.6	-15.4	0	0	0	113.5	Y821 E825	Y821-N823 WeakPolarHBondContact CB-OD1 3.33Å; Y821-N823 PolarHBondContact O-N 2.65Å; Y821-N823 VanDerWaalsContact O-N 3.12Å; N823-E825 PolarHBondContact ND2-OE2 3.37Å; N823-E825 PolarHBondContact OD1-N 2.92Å; N823-E825 PolarHBondContact OD1-OE2 2.76Å
824	G	92.5	Very high	96	Very high	13 Å²	13	11.8 Å²	11.8	13%	0.134	6%	0.064	C	C	.	.	S	Bend	trans	94.3	-3.6	177.7	0	0	0	0	0	115.3	Y821 H822	Y821-G824 WeakPolarHBondContact O-CA 3.18Å; Y821-G824 PolarHBondContact O-N 2.83Å; H822-G824 VanDerWaalsContact C-N 3.3Å
825	E	94.6	Very high	95.9	Very high	19 Å²	19	12.1 Å²	12.1	9%	0.089	7%	0.065	C	C	.	.			trans	-70.8	140	177.5	-65.2	-176.3	103.3	0	0	111.7	W552 Y821 N823 K979	W552-E825 PolarHBondContact NE1-OE2 2.91Å; Y821-E825 HydrophobicContact CD2-CB 3.91Å; Y821-E825 WeakPolarHBondContact CD2-O 3.41Å; Y821-E825 HydrophobicContact CG-CB 4.45Å; Y821-E825 PolarHBondContact N-O 2.91Å; N823-E825 PolarHBondContact ND2-OE2 3.37Å; N823-E825 PolarHBondContact OD1-N 2.92Å; N823-E825 PolarHBondContact OD1-OE2 2.76Å; E825-K979 WeakPolarHBondContact OE1-CE 3.28Å; E825-K979 IonicContact OE1-NZ 3.18Å; E825-K979 PolarHBondContact OE1-NZ 2.96Å
826	L	96.3	Very high	95.9	Very high	7 Å²	7	13.9 Å²	13.9	4%	0.037	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.7	178.5	-173.3	66.7	0	0	0	110.1	L744 L757 V818 R819 L820 I980	L744-L826 HydrophobicContact CD2-CD1 4.3Å; L744-L826 HydrophobicContact CD2-CD2 3.54Å; L744-L826 HydrophobicContact CD2-CG 4.46Å; L757-L826 HydrophobicContact CD2-CD2 4Å; V818-L826 HydrophobicContact CG1-CD1 3.72Å; R819-L826 WeakPolarHBondContact O-CA 3.43Å; L820-L826 HydrophobicContact CB-CD1 4.34Å; L820-L826 HydrophobicContact CD1-CD1 4.27Å; L826-I980 HydrophobicContact CB-CB 4.18Å; L826-I980 HydrophobicContact CD2-CB 3.74Å; L826-I980 HydrophobicContact CD2-CD1 3.93Å; L826-I980 HydrophobicContact CD2-CG1 4.36Å; L826-I980 HydrophobicContact CD2-CG2 3.84Å; L826-I980 HydrophobicContact CG-CB 4.09Å; L826-I980 HydrophobicContact CG-CD1 4.3Å; L826-I980 PolarHBondContact O-N 3.48Å
827	E	97.6	Very high	95.6	Very high	25 Å²	25	19 Å²	19	12%	0.117	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.6	175.9	178.7	-166.6	109.6	0	0	109.8	R554 V818 R819 Y821 H978	R554-E827 IonicContact CZ-OE1 3.26Å; R554-E827 IonicContact CZ-OE2 2.74Å; R554-E827 IonicContact NH1-OE1 3.52Å; R554-E827 PolarHBondContact NH1-OE1 2.88Å; R554-E827 IonicContact NH1-OE2 3.4Å; R554-E827 IonicContact NH2-OE1 2.87Å; R554-E827 PolarHBondContact NH2-OE1 3.04Å; R554-E827 IonicContact NH2-OE2 3.34Å; R554-E827 PolarHBondContact NH2-OE2 2.87Å; V818-E827 CarbonylContact C-O 3.55Å; V818-E827 WeakPolarHBondContact CA-O 3.26Å; R819-E827 HydrophobicContact CB-CB 4.24Å; R819-E827 IonicContact CZ-OE1 2.7Å; R819-E827 PolarHBondContact N-O 2.91Å; R819-E827 IonicContact NE-OE1 3.58Å; R819-E827 IonicContact NH1-OE1 3.25Å; R819-E827 PolarHBondContact NH1-OE1 2.89Å; R819-E827 PolarHBondContact O-N 2.87Å; Y821-E827 HydrophobicContact CE2-CB 3.89Å; Y821-E827 PolarHBondContact OH-OE2 2.82Å; E827-H978 CarbonylContact C-O 3.58Å; E827-H978 WeakPolarHBondContact CA-O 3.27Å
828	V	98.2	Very high	95.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117	169	178	0	0	0	0	108.3	I759 L816 I817 V818 Y848 T977 H978 I980	I759-V828 HydrophobicContact CD1-CG2 3.9Å; I759-V828 HydrophobicContact CG2-CG1 4.4Å; I759-V828 HydrophobicContact CG2-CG2 4.32Å; L816-V828 HydrophobicContact CD2-CG1 4.15Å; I817-V828 CarbonylContact O-C 3.49Å; I817-V828 WeakPolarHBondContact O-CA 3.34Å; V818-V828 HydrophobicContact CG1-CG2 4.24Å; V818-V828 HydrophobicContact CG2-CG1 4.46Å; V818-V828 HydrophobicContact CG2-CG2 4.01Å; V828-Y848 HydrophobicContact CG2-CE1 4.12Å; V828-T977 CarbonylContact O-C 3.41Å; V828-T977 WeakPolarHBondContact O-CA 3.27Å; V828-H978 HydrophobicContact CB-CB 4.49Å; V828-H978 PolarHBondContact N-O 2.93Å; V828-H978 PolarHBondContact O-N 3.02Å; V828-I980 HydrophobicContact CB-CD1 4.32Å; V828-I980 HydrophobicContact CG2-CD1 3.36Å; V828-I980 HydrophobicContact CG2-CG1 4.36Å
829	E	97.8	Very high	95.2	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.4	171.7	-176.6	-168.3	117.8	0	0	109.1	R554 L816 I817 R819 R975 G976 T977	R554-E829 IonicContact NH1-OE2 3.21Å; L816-E829 CarbonylContact C-O 3.57Å; L816-E829 WeakPolarHBondContact CA-O 3.43Å; I817-E829 HydrophobicContact CB-CB 4.26Å; I817-E829 PolarHBondContact N-O 3.32Å; I817-E829 PolarHBondContact O-N 3.21Å; R819-E829 IonicContact CZ-OE2 2.68Å; R819-E829 IonicContact NH1-OE2 3.84Å; R819-E829 PolarHBondContact NH1-OE2 3Å; R819-E829 IonicContact NH2-OE2 3.63Å; R819-E829 PolarHBondContact NH2-OE2 2.84Å; R819-E829 VanDerWaalsContact NH2-OE2 3.1Å; E829-R975 HydrophobicContact CG-CG 4.15Å; E829-R975 IonicContact OE1-CZ 3.46Å; E829-R975 VanDerWaalsContact OE1-CZ 3.28Å; E829-R975 IonicContact OE1-NE 2.77Å; E829-R975 PolarHBondContact OE1-NE 2.8Å; E829-R975 IonicContact OE1-NH2 3.69Å; E829-R975 PolarHBondContact OE1-NH2 2.78Å; E829-R975 VanDerWaalsContact OE1-NH2 3.08Å; E829-R975 IonicContact OE2-CZ 2.73Å; E829-R975 IonicContact OE2-NE 2.69Å; E829-R975 PolarHBondContact OE2-NE 2.91Å; E829-R975 IonicContact OE2-NH2 3.48Å; E829-R975 PolarHBondContact OE2-NH2 2.88Å; E829-G976 CarbonylContact C-O 3.43Å; E829-G976 WeakPolarHBondContact CA-O 3.48Å; E829-T977 HydrophobicContact CB-CG2 4.2Å; E829-T977 HydrophobicContact CG-CG2 4.1Å
830	W	97.8	Very high	95.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.1	177.9	49.5	-95.8	0	0	0	109.7	L816 I832 L946 V974 R975 G976 H978	L816-W830 HydrophobicContact CD2-CB 3.44Å; L816-W830 VanDerWaalsContact CD2-CB 3.44Å; W830-I832 HydrophobicContact CD2-CD1 4.43Å; W830-I832 HydrophobicContact CE3-CD1 3.77Å; W830-I832 HydrophobicContact CE3-CG1 4.23Å; W830-I832 HydrophobicContact CZ3-CD1 4.33Å; W830-L946 HydrophobicContact CB-CD1 3.88Å; W830-L946 HydrophobicContact CD2-CB 4.21Å; W830-L946 HydrophobicContact CD2-CD1 3.95Å; W830-L946 HydrophobicContact CD2-CD2 4.13Å; W830-L946 HydrophobicContact CD2-CG 4.33Å; W830-L946 HydrophobicContact CE3-CB 4.25Å; W830-L946 HydrophobicContact CG-CD1 3.65Å; W830-L946 HydrophobicContact CG-CD2 4.22Å; W830-L946 HydrophobicContact CG-CG 4.43Å; W830-L946 HydrophobicContact CH2-CB 4.49Å; W830-L946 HydrophobicContact CZ2-CB 4.46Å; W830-L946 HydrophobicContact CZ2-CD2 4.18Å; W830-L946 HydrophobicContact CZ3-CB 4.38Å; W830-V974 HydrophobicContact CH2-CG1 3.76Å; W830-V974 HydrophobicContact CZ3-CB 4Å; W830-V974 HydrophobicContact CZ3-CG1 3.64Å; W830-R975 VanDerWaalsContact O-CA 3.28Å; W830-R975 WeakPolarHBondContact O-CA 3.5Å; W830-G976 PolarHBondContact N-O 3.1Å; W830-G976 PolarHBondContact O-N 3.41Å; W830-H978 AromaticContact NE1-CD2 3.9Å; W830-H978 AromaticContact NE1-NE2 3.52Å
831	T	97.8	Very high	95.1	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	116.9	172.3	-55.7	0	0	0	0	109.3	R603 S815 I973 V974 R975	R603-T831 HydrophobicContact CB-CG2 4.33Å; R603-T831 HydrophobicContact CG-CG2 3.49Å; R603-T831 VanDerWaalsContact CG-CG2 3.49Å; S815-T831 PolarHBondContact N-O 2.91Å; S815-T831 PolarHBondContact O-N 3.37Å; T831-I973 HydrophobicContact CG2-CG2 3.68Å; T831-V974 WeakPolarHBondContact CA-O 3.45Å; T831-R975 HydrophobicContact CG2-CB 4.46Å
832	I	97.5	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.9	-171.1	-59.8	159.9	0	0	0	109.8	L761 W813 W830 F835 T844 L946 H947 I973 V974	L761-I832 HydrophobicContact CD1-CD1 4.46Å; W813-I832 HydrophobicContact CE3-CG2 4.1Å; W813-I832 HydrophobicContact CZ3-CG2 4.02Å; W813-I832 CarbonylContact O-C 3.55Å; W813-I832 WeakPolarHBondContact O-CA 3.42Å; W830-I832 HydrophobicContact CD2-CD1 4.43Å; W830-I832 HydrophobicContact CE3-CD1 3.77Å; W830-I832 HydrophobicContact CE3-CG1 4.23Å; W830-I832 HydrophobicContact CZ3-CD1 4.33Å; I832-F835 HydrophobicContact CG2-CE1 4.12Å; I832-F835 HydrophobicContact CG2-CE2 4.38Å; I832-F835 HydrophobicContact CG2-CZ 3.81Å; I832-T844 HydrophobicContact CD1-CG2 3.48Å; I832-T844 VanDerWaalsContact CD1-CG2 3.48Å; I832-T844 HydrophobicContact CG1-CG2 4.07Å; I832-T844 HydrophobicContact CG2-CG2 4.42Å; I832-L946 HydrophobicContact CD1-CB 3.45Å; I832-L946 VanDerWaalsContact CD1-CB 3.45Å; I832-L946 HydrophobicContact CD1-CD1 3.67Å; I832-L946 HydrophobicContact CD1-CG 4.23Å; I832-H947 HydrophobicContact CB-CB 4.31Å; I832-H947 HydrophobicContact CD1-CB 4.29Å; I832-H947 HydrophobicContact CG2-CB 4.1Å; I832-I973 CarbonylContact O-C 3.59Å; I832-I973 WeakPolarHBondContact O-CA 3.1Å; I832-V974 PolarHBondContact N-O 3.23Å; I832-V974 PolarHBondContact O-N 2.89Å
833	G	95.7	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.167	C	C	.	.			trans	108.5	169.8	178.4	0	0	0	0	0	112.8	R603 W813	R603-G833 PolarHBondContact NE-O 2.98Å; R603-G833 PolarHBondContact NH2-O 3.24Å; W813-G833 PolarHBondContact O-N 3.48Å
834	P	95.4	Very high	95.8	Very high	34 Å²	34	26.7 Å²	26.7	22%	0.221	15%	0.152	C	C	.	.	P	Polyproline II helix	cis	-65.2	141.6	-12.5	29.9	-33.6	0	0	0	108.6	W813 K970	W813-P834 WeakPolarHBondContact CB-O 3.13Å; P834-K970 HydrophobicContact CB-CB 4.42Å; P834-K970 VanDerWaalsContact CB-O 3.27Å; P834-K970 WeakPolarHBondContact CB-O 3.06Å
835	F	95.1	Very high	96.1	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.035	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-62.7	149.2	174.8	-70.9	-85.1	0	0	0	110.1	W813 I832 S837 R842 H947 Q949	W813-F835 AromaticContact CE3-CD1 3.88Å; W813-F835 HydrophobicContact CE3-CD1 3.88Å; W813-F835 HydrophobicContact CE3-CE1 4.09Å; W813-F835 HydrophobicContact CH2-CD1 4.21Å; W813-F835 HydrophobicContact CH2-CE1 4.18Å; W813-F835 AromaticContact CZ3-CD1 3.66Å; W813-F835 HydrophobicContact CZ3-CD1 3.66Å; W813-F835 AromaticContact CZ3-CE1 3.52Å; W813-F835 HydrophobicContact CZ3-CE1 3.52Å; I832-F835 HydrophobicContact CG2-CE1 4.12Å; I832-F835 HydrophobicContact CG2-CE2 4.38Å; I832-F835 HydrophobicContact CG2-CZ 3.81Å; F835-S837 PolarHBondContact O-N 3.21Å; F835-R842 HydrophobicContact CD1-CB 3.73Å; F835-R842 HydrophobicContact CE1-CB 3.69Å; F835-H947 AromaticContact CE2-CD2 3.47Å; F835-H947 VanDerWaalsContact CE2-CD2 3.47Å; F835-H947 WeakPolarHBondContact CE2-CD2 3.28Å; F835-H947 AromaticContact CE2-CG 3.91Å; F835-H947 AromaticContact CE2-NE2 3.72Å; F835-H947 HydrophobicContact CZ-CB 4.32Å; F835-Q949 HydrophobicContact CB-CB 4.3Å; F835-Q949 HydrophobicContact CD2-CB 3.49Å; F835-Q949 VanDerWaalsContact CD2-CB 3.49Å; F835-Q949 HydrophobicContact CD2-CG 4.4Å; F835-Q949 HydrophobicContact CE2-CB 3.81Å; F835-Q949 HydrophobicContact CG-CB 3.87Å; F835-Q949 HydrophobicContact CZ-CB 4.45Å
836	P	94.5	Very high	96.2	Very high	38 Å²	38	25.2 Å²	25.2	25%	0.247	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-58.8	136.3	176.9	-23.7	34.2	0	0	0	112	W813 D838	W813-P836 HydrophobicContact CD2-CG 4.45Å; W813-P836 HydrophobicContact CG-CG 4.14Å; W813-P836 VanDerWaalsContact NE1-CG 3.31Å; P836-D838 PolarHBondContact O-N 2.82Å
837	S	89.6	Confident	96.3	Very high	110 Å²	110	25.9 Å²	25.9	77%	0.769	14%	0.144	S	C	*	.	S	Bend	trans	-77.5	49.9	176.4	-45.2	0	0	0	0	112.6	F835	F835-S837 PolarHBondContact O-N 3.21Å
838	D	93.9	Very high	96.3	Very high	72 Å²	72	24.7 Å²	24.7	39%	0.385	14%	0.138	S	C	.	.	S	Bend	trans	-105.9	14.4	-178.7	65.6	-1	0	0	0	113.5	P836 I840 R842	P836-D838 PolarHBondContact O-N 2.82Å; D838-I840 PolarHBondContact O-N 3.43Å; D838-I840 WeakPolarHBondContact OD1-CB 3.23Å; D838-I840 PolarHBondContact OD1-N 3.23Å; D838-R842 IonicContact OD1-CZ 3.29Å; D838-R842 IonicContact OD1-NH1 2.89Å; D838-R842 PolarHBondContact OD1-NH1 2.66Å; D838-R842 IonicContact OD1-NH2 2.71Å; D838-R842 PolarHBondContact OD1-NH2 3.02Å; D838-R842 IonicContact OD2-CZ 2.67Å; D838-R842 IonicContact OD2-NH1 3.58Å; D838-R842 IonicContact OD2-NH2 3.56Å; D838-R842 PolarHBondContact OD2-NH2 2.81Å
839	M	91.5	Very high	96.3	Very high	143 Å²	143	26 Å²	26	70%	0.704	15%	0.146	S	C	*	.	S	Bend	trans	56.4	34	-179.1	-56.3	-61.4	-66.3	0	0	113	I951	M839-I951 WeakPolarHBondContact O-CD1 3.48Å
840	I	95	Very high	96.2	Very high	66 Å²	66	26.1 Å²	26.1	34%	0.338	15%	0.147	S	C	.	.			trans	-114.6	111.3	173.1	-61.4	175.1	0	0	0	109	I765 D838 R842	I765-I840 HydrophobicContact CD1-CG2 3.48Å; I765-I840 VanDerWaalsContact CD1-CG2 3.48Å; I765-I840 HydrophobicContact CG1-CG2 4.43Å; I765-I840 HydrophobicContact CG2-CG2 4.11Å; D838-I840 PolarHBondContact O-N 3.43Å; D838-I840 WeakPolarHBondContact OD1-CB 3.23Å; D838-I840 PolarHBondContact OD1-N 3.23Å; I840-R842 HydrophobicContact CG2-CG 4.39Å; I840-R842 PolarHBondContact O-N 3.44Å; I840-R842 PolarHBondContact O-NH1 3.09Å
841	G	95.7	Very high	95.9	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	16%	0.163	C	C	.	.			trans	-64.1	122	175.1	0	0	0	0	0	111.4	I765 G766 Q949	I765-G841 WeakPolarHBondContact CA-O 3.36Å; G766-G841 PolarHBondContact N-O 2.87Å; G766-G841 VanDerWaalsContact N-O 3.1Å; G841-Q949 CarbonylContact C-O 3.51Å; G841-Q949 WeakPolarHBondContact CA-O 3.43Å
842	R	97.7	Very high	95.5	Very high	19 Å²	19	30.5 Å²	30.5	7%	0.072	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.8	-176.6	-71.9	177.8	-175.1	82.1	-3.1	110.8	Y763 Y764 I765 F835 D838 I840 Q949	Y763-R842 HydrophobicContact CD2-CG 4.03Å; Y763-R842 HydrophobicContact CE2-CG 4.43Å; Y764-R842 WeakPolarHBondContact O-CA 3.45Å; I765-R842 HydrophobicContact CD1-CG 4.05Å; F835-R842 HydrophobicContact CD1-CB 3.73Å; F835-R842 HydrophobicContact CE1-CB 3.69Å; D838-R842 IonicContact OD1-CZ 3.29Å; D838-R842 IonicContact OD1-NH1 2.89Å; D838-R842 PolarHBondContact OD1-NH1 2.66Å; D838-R842 IonicContact OD1-NH2 2.71Å; D838-R842 PolarHBondContact OD1-NH2 3.02Å; D838-R842 IonicContact OD2-CZ 2.67Å; D838-R842 IonicContact OD2-NH1 3.58Å; D838-R842 IonicContact OD2-NH2 3.56Å; D838-R842 PolarHBondContact OD2-NH2 2.81Å; I840-R842 HydrophobicContact CG2-CG 4.39Å; I840-R842 PolarHBondContact O-N 3.44Å; I840-R842 PolarHBondContact O-NH1 3.09Å; R842-Q949 PolarHBondContact N-O 2.03Å; R842-Q949 PolarHBondContact O-N 2.93Å
843	E	98.1	Very high	94.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	100.2	-179.9	-55.6	179.9	82.3	0	0	107.6	Y763 Y764 S774 F779 M945 R948	Y763-E843 CarbonylContact C-O 3.59Å; Y763-E843 WeakPolarHBondContact CA-O 3.31Å; Y764-E843 PolarHBondContact N-O 2.98Å; Y764-E843 PolarHBondContact O-N 3.47Å; S774-E843 PolarHBondContact OG-OE1 2.88Å; S774-E843 PolarHBondContact OG-OE2 3.31Å; F779-E843 VanDerWaalsContact CD2-OE1 3.29Å; F779-E843 WeakPolarHBondContact CD2-OE1 3.43Å; F779-E843 WeakPolarHBondContact CD2-OE2 3.48Å; E843-M945 HydrophobicContact CB-CE 4.38Å; E843-R948 HydrophobicContact CB-CG 4.24Å; E843-R948 HydrophobicContact CG-CB 4.12Å; E843-R948 HydrophobicContact CG-CG 4.25Å; E843-R948 WeakPolarHBondContact OE1-CD 3.38Å; E843-R948 IonicContact OE1-CZ 3.73Å; E843-R948 IonicContact OE1-NE 2.61Å; E843-R948 IonicContact OE1-NH1 3.58Å; E843-R948 PolarHBondContact OE1-NH1 2.64Å
844	T	98.5	Very high	94.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.5	-169.7	-55.7	0	0	0	0	111.2	L761 M762 I832 L946 H947	L761-T844 HydrophobicContact CD1-CG2 3.68Å; L761-T844 HydrophobicContact CD2-CG2 4.45Å; L761-T844 HydrophobicContact CG-CG2 4Å; M762-T844 WeakPolarHBondContact O-CA 3.48Å; M762-T844 WeakPolarHBondContact O-CG2 3.14Å; I832-T844 HydrophobicContact CD1-CG2 3.48Å; I832-T844 VanDerWaalsContact CD1-CG2 3.48Å; I832-T844 HydrophobicContact CG1-CG2 4.07Å; I832-T844 HydrophobicContact CG2-CG2 4.42Å; T844-L946 PolarHBondContact O-N 2.79Å; T844-H947 PolarHBondContact N-O 2.94Å
845	V	98.7	Very high	94.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.2	-179.9	-53.2	0	0	0	0	110.4	M762 Y764 A787 E943 L944 M945	M762-V845 HydrophobicContact CB-CG2 3.82Å; M762-V845 PolarHBondContact N-O 3.12Å; M762-V845 PolarHBondContact O-N 3.41Å; M762-V845 VanDerWaalsContact O-O 3.06Å; Y764-V845 HydrophobicContact CD2-CG1 3.88Å; Y764-V845 HydrophobicContact CE2-CG1 3.9Å; Y764-V845 HydrophobicContact CE2-CG2 4.24Å; A787-V845 HydrophobicContact CB-CG2 4.16Å; V845-E943 HydrophobicContact CB-CG 3.83Å; V845-E943 HydrophobicContact CG1-CG 4.35Å; V845-E943 HydrophobicContact CG2-CG 3.91Å; V845-L944 CarbonylContact C-O 3.49Å; V845-L944 WeakPolarHBondContact CA-O 3.49Å; V845-L944 WeakPolarHBondContact CB-O 3.46Å; V845-M945 HydrophobicContact CG1-CB 4.08Å; V845-M945 HydrophobicContact CG1-CE 4.42Å; V845-M945 HydrophobicContact CG1-CG 4.24Å
846	V	98.2	Very high	93.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.1	163.7	62.5	0	0	0	0	109.4	I759 E760 L761 L816 Y848 E943 L944 L946	I759-V846 HydrophobicContact CG2-CG2 4.04Å; E760-V846 CarbonylContact O-C 3.56Å; E760-V846 WeakPolarHBondContact O-CA 3.48Å; L761-V846 HydrophobicContact CD1-CB 4.46Å; L816-V846 HydrophobicContact CD1-CG2 4.42Å; V846-Y848 HydrophobicContact CG1-CE2 3.73Å; V846-Y848 HydrophobicContact CG2-CE1 4.22Å; V846-Y848 HydrophobicContact CG2-CE2 4.13Å; V846-E943 WeakPolarHBondContact O-CA 3.42Å; V846-L944 HydrophobicContact CG1-CB 4.35Å; V846-L944 PolarHBondContact N-O 3.25Å; V846-L944 PolarHBondContact O-N 3.14Å; V846-L946 HydrophobicContact CB-CD1 3.84Å; V846-L946 HydrophobicContact CB-CG 4.43Å; V846-L946 HydrophobicContact CG1-CD1 3.9Å; V846-L946 HydrophobicContact CG1-CD2 3.81Å; V846-L946 HydrophobicContact CG1-CG 4.08Å
847	R	98.1	Very high	93.7	Very high	22 Å²	22	46.3 Å²	46.3	8%	0.083	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.1	-176.2	-176.9	-178.5	-81.6	-176.7	4.9	110.6	E760 M762 Q941 L942 E943	E760-R847 PolarHBondContact N-O 3.28Å; E760-R847 PolarHBondContact O-N 3.22Å; M762-R847 HydrophobicContact SD-CB 4.28Å; M762-R847 VanDerWaalsContact SD-CZ 3.54Å; R847-Q941 VanDerWaalsContact CD-NE2 3.27Å; R847-Q941 HydrophobicContact CG-CG 3.72Å; R847-L942 CarbonylContact C-O 3.56Å; R847-L942 WeakPolarHBondContact CA-O 3.4Å; R847-E943 IonicContact CZ-OE2 3.28Å; R847-E943 IonicContact NE-OE2 3.37Å; R847-E943 PolarHBondContact NE-OE2 3.48Å; R847-E943 IonicContact NH2-OE2 3.6Å; R847-E943 PolarHBondContact NH2-OE2 3.47Å
848	Y	98.1	Very high	93.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.4	177.3	-61	-71.7	0	0	0	108.4	N758 I759 V828 V846 I926 Q941 L942 L944 H978 I980	N758-Y848 CarbonylContact O-C 3.59Å; N758-Y848 WeakPolarHBondContact O-CA 3.44Å; I759-Y848 HydrophobicContact CB-CD1 4.49Å; I759-Y848 HydrophobicContact CB-CE1 4.42Å; I759-Y848 HydrophobicContact CD1-CE1 4.35Å; I759-Y848 HydrophobicContact CG1-CD1 3.97Å; I759-Y848 HydrophobicContact CG1-CE1 4.08Å; I759-Y848 HydrophobicContact CG2-CD1 4.19Å; I759-Y848 HydrophobicContact CG2-CE1 3.71Å; V828-Y848 HydrophobicContact CG2-CE1 4.12Å; V846-Y848 HydrophobicContact CG1-CE2 3.73Å; V846-Y848 HydrophobicContact CG2-CE1 4.22Å; V846-Y848 HydrophobicContact CG2-CE2 4.13Å; Y848-I926 HydrophobicContact CD1-CD1 4.48Å; Y848-I926 HydrophobicContact CD2-CD1 4.05Å; Y848-I926 HydrophobicContact CD2-CG1 3.96Å; Y848-I926 HydrophobicContact CE2-CD1 4.37Å; Y848-I926 HydrophobicContact CE2-CG1 4.25Å; Y848-I926 HydrophobicContact CE2-CG2 4.02Å; Y848-I926 HydrophobicContact CG-CD1 4.09Å; Y848-I926 HydrophobicContact CG-CG1 4.46Å; Y848-Q941 CarbonylContact O-C 3.47Å; Y848-Q941 VanDerWaalsContact O-CA 3.28Å; Y848-Q941 WeakPolarHBondContact O-CA 3.27Å; Y848-L942 PolarHBondContact N-O 2.89Å; Y848-L942 PolarHBondContact O-N 2.77Å; Y848-L944 HydrophobicContact CD2-CD1 3.91Å; Y848-L944 HydrophobicContact CE2-CD1 3.74Å; Y848-H978 AromaticContact CE2-ND1 3.82Å; Y848-H978 AromaticContact CZ-ND1 3.78Å; Y848-H978 PolarHBondContact OH-ND1 2.93Å; Y848-I980 HydrophobicContact CD1-CD1 3.77Å; Y848-I980 HydrophobicContact CE1-CD1 3.19Å; Y848-I980 HydrophobicContact CE1-CG1 4.28Å
849	T	97.1	Very high	93.5	Very high	27 Å²	27	47.1 Å²	47.1	17%	0.166	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.1	-177.8	-55	0	0	0	0	111.2	N758 N851 G940 Q941	N758-T849 PolarHBondContact N-O 3.25Å; N758-T849 PolarHBondContact O-N 3.14Å; T849-N851 PolarHBondContact O-ND2 3.13Å; T849-G940 WeakPolarHBondContact CA-O 3.31Å; T849-Q941 PolarHBondContact OG1-NE2 2.94Å
850	I	96.1	Very high	93.6	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.6	171.6	-61.1	-63.2	0	0	0	109.5	M746 I755 K756 L757 V855 I911 L924 G940 F982	M746-I850 HydrophobicContact CE-CD1 4.03Å; I755-I850 HydrophobicContact CG2-CG2 3.68Å; K756-I850 WeakPolarHBondContact O-CA 3.01Å; L757-I850 HydrophobicContact CB-CD1 4.13Å; L757-I850 HydrophobicContact CD1-CD1 3.76Å; I850-V855 HydrophobicContact CG2-CG1 4.16Å; I850-V855 HydrophobicContact CG2-CG2 4.3Å; I850-I911 HydrophobicContact CG1-CD1 4.33Å; I850-L924 HydrophobicContact CD1-CD2 4.24Å; I850-L924 HydrophobicContact CG1-CD2 3.98Å; I850-G940 PolarHBondContact N-O 2.81Å; I850-F982 HydrophobicContact CD1-CD2 3.66Å; I850-F982 HydrophobicContact CD1-CE2 3.69Å; I850-F982 HydrophobicContact CD1-CG 4.44Å; I850-F982 HydrophobicContact CG1-CD2 4.47Å; I850-F982 HydrophobicContact CG1-CE2 4.22Å
851	N	91.6	Very high	93.6	Very high	64 Å²	64	42.3 Å²	42.3	34%	0.342	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.5	175.7	-60.2	-75.2	0	0	0	110.7	K756 N758 T849	K756-N851 HydrophobicContact CB-CB 4.42Å; K756-N851 PolarHBondContact N-O 3.32Å; K756-N851 PolarHBondContact O-N 2.97Å; N758-N851 PolarHBondContact ND2-ND2 3.25Å; T849-N851 PolarHBondContact O-ND2 3.13Å
852	G	88.6	Confident	93.7	Very high	29 Å²	29	42.8 Å²	42.8	30%	0.299	22%	0.222	S	C	.	.			trans	177.1	142.9	171.9	0	0	0	0	0	110.8	D854 V855	G852-D854 PolarHBondContact O-N 3.27Å; G852-V855 WeakPolarHBondContact O-CB 3.48Å; G852-V855 PolarHBondContact O-N 2.87Å
853	D	85.7	Confident	93.7	Very high	172 Å²	172	41.9 Å²	41.9	92%	0.92	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.9	-174.8	-56.9	-39	0	0	0	112.5
854	D	85.4	Confident	93.7	Very high	74 Å²	74	42.8 Å²	42.8	40%	0.396	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11	-179.5	-62	-58.2	0	0	0	113.9	I753 G852 K914	I753-D854 HydrophobicContact CD1-CB 4.38Å; I753-D854 HydrophobicContact CG2-CB 4.02Å; G852-D854 PolarHBondContact O-N 3.27Å; D854-K914 PolarHBondContact O-N 2.72Å
855	V	89.8	Confident	93.7	Very high	22 Å²	22	42.8 Å²	42.8	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.9	-178.6	-179.3	0	0	0	0	110.4	I755 I850 G852 Y857 I911 L913	I755-V855 HydrophobicContact CG1-CG2 4.39Å; I755-V855 HydrophobicContact CG2-CG2 4.43Å; I850-V855 HydrophobicContact CG2-CG1 4.16Å; I850-V855 HydrophobicContact CG2-CG2 4.3Å; G852-V855 WeakPolarHBondContact O-CB 3.48Å; G852-V855 PolarHBondContact O-N 2.87Å; V855-Y857 HydrophobicContact CG1-CE1 4.16Å; V855-Y857 HydrophobicContact CG1-CE2 4.43Å; V855-I911 HydrophobicContact CG1-CG2 3.6Å; V855-L913 HydrophobicContact CG2-CD2 3.93Å
856	Q	90.1	Very high	93.6	Very high	85 Å²	85	42.9 Å²	42.9	40%	0.397	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	158.7	171.2	-61.4	-172	-28.4	0	0	110.1	L912	Q856-L912 HydrophobicContact CB-CB 4.33Å; Q856-L912 PolarHBondContact N-O 3.47Å; Q856-L912 PolarHBondContact O-N 2.84Å
857	Y	90	Very high	93.5	Very high	60 Å²	60	43 Å²	43	24%	0.235	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.5	174.6	-53.7	-77.4	0	0	0	108.5	V855 I911 D939 G940	V855-Y857 HydrophobicContact CG1-CE1 4.16Å; V855-Y857 HydrophobicContact CG1-CE2 4.43Å; Y857-I911 HydrophobicContact CD1-CG1 4.26Å; Y857-I911 HydrophobicContact CE1-CG1 4.14Å; Y857-I911 HydrophobicContact CE1-CG2 4.16Å; Y857-D939 HydrophobicContact CD1-CB 4.49Å; Y857-D939 HydrophobicContact CD2-CB 3.49Å; Y857-D939 VanDerWaalsContact CD2-CB 3.49Å; Y857-D939 HydrophobicContact CE2-CB 3.66Å; Y857-D939 HydrophobicContact CG-CB 3.95Å; Y857-G940 VanDerWaalsContact CE1-CA 3.42Å; Y857-G940 VanDerWaalsContact CZ-CA 3.42Å; Y857-G940 WeakPolarHBondContact OH-CA 3.45Å
858	R	88.3	Confident	93.4	Very high	131 Å²	131	42 Å²	42	49%	0.494	22%	0.221	S	C	.	.	S	Bend	trans	-61.6	-49.4	178.4	-172.3	-176.2	68.4	-171.2	0.7	111	E862 N910 L912	R858-E862 IonicContact NH2-OE1 2.71Å; R858-N910 HydrophobicContact CB-CB 3.8Å; R858-N910 PolarHBondContact N-O 2.78Å; R858-N910 VanDerWaalsContact NH1-CG 3.26Å; R858-N910 PolarHBondContact NH1-ND2 3.04Å; R858-N910 VanDerWaalsContact NH1-ND2 3.18Å; R858-N910 PolarHBondContact NH1-OD1 2.86Å; R858-N910 PolarHBondContact NH2-ND2 3.46Å; R858-L912 HydrophobicContact CB-CD1 4.01Å; R858-L912 HydrophobicContact CB-CG 4.39Å
859	D	91.1	Very high	93.3	Very high	67 Å²	67	42.1 Å²	42.1	36%	0.358	22%	0.221	S	C	.	.	S	Bend	trans	-125.7	122.6	-178.6	-60.8	-68.2	0	0	0	108.8	E862	D859-E862 HydrophobicContact CB-CB 3.91Å
860	T	93.8	Very high	93.2	Very high	105 Å²	105	40.9 Å²	40.9	64%	0.644	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	140.3	-178.6	57.4	0	0	0	0	110.9	E862 D939	T860-E862 PolarHBondContact O-N 3.14Å; T860-D939 VanDerWaalsContact CB-OD2 3.3Å; T860-D939 WeakPolarHBondContact CB-OD2 3.47Å; T860-D939 WeakPolarHBondContact CG2-OD2 3.34Å
861	G	95	Very high	93	Very high	4 Å²	4	41.2 Å²	41.2	4%	0.041	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	5.4	-177.6	0	0	0	0	0	115.7	R877 D939	G861-R877 PolarHBondContact O-N 3.31Å; G861-D939 WeakPolarHBondContact CA-OD1 3.4Å; G861-D939 PolarHBondContact N-OD1 3.47Å
862	E	97	Very high	93.2	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.1	175.6	-176.9	-179.4	97.4	0	0	111.6	R858 D859 T860 F864 K874 R875 L876	R858-E862 IonicContact NH2-OE1 2.71Å; D859-E862 HydrophobicContact CB-CB 3.91Å; T860-E862 PolarHBondContact O-N 3.14Å; E862-F864 HydrophobicContact CG-CE2 3.83Å; E862-F864 HydrophobicContact CG-CZ 4.06Å; E862-F864 WeakPolarHBondContact OE1-CE2 3.26Å; E862-F864 WeakPolarHBondContact OE1-CZ 3.24Å; E862-K874 HydrophobicContact CG-CD 4.39Å; E862-K874 HydrophobicContact CG-CG 4.27Å; E862-K874 WeakPolarHBondContact OE2-CD 3.13Å; E862-K874 WeakPolarHBondContact OE2-CE 3.44Å; E862-K874 IonicContact OE2-NZ 3.2Å; E862-K874 PolarHBondContact OE2-NZ 3.49Å; E862-R875 WeakPolarHBondContact CA-O 3.46Å; E862-L876 HydrophobicContact CB-CD2 3.96Å; E862-L876 HydrophobicContact CG-CD2 4.31Å
863	F	98	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	175.8	167.5	67.2	-75.7	0	0	0	109.6	T865 R875 Y900 I906 M907 I908 S936 L942	F863-T865 HydrophobicContact CD2-CG2 4.13Å; F863-T865 HydrophobicContact CE2-CG2 3.85Å; F863-R875 HydrophobicContact CD1-CB 3.82Å; F863-R875 HydrophobicContact CD2-CB 3.99Å; F863-R875 HydrophobicContact CD2-CG 4.24Å; F863-R875 HydrophobicContact CE1-CB 3.53Å; F863-R875 HydrophobicContact CE2-CB 3.71Å; F863-R875 HydrophobicContact CE2-CG 3.85Å; F863-R875 HydrophobicContact CG-CB 4.06Å; F863-R875 HydrophobicContact CZ-CB 3.5Å; F863-R875 VanDerWaalsContact CZ-CB 3.5Å; F863-R875 HydrophobicContact CZ-CG 4.04Å; F863-R875 PolarHBondContact N-O 3.09Å; F863-R875 PolarHBondContact O-N 3.06Å; F863-R875 VanDerWaalsContact O-O 3.13Å; F863-Y900 HydrophobicContact CE1-CE2 4.32Å; F863-Y900 AromaticContact CE2-CD2 3.89Å; F863-Y900 HydrophobicContact CE2-CD2 3.89Å; F863-Y900 HydrophobicContact CE2-CE2 4.28Å; F863-Y900 AromaticContact CZ-CD2 3.55Å; F863-Y900 HydrophobicContact CZ-CD2 3.55Å; F863-Y900 AromaticContact CZ-CE2 3.53Å; F863-Y900 HydrophobicContact CZ-CE2 3.53Å; F863-I906 HydrophobicContact CD2-CD1 4.13Å; F863-I906 HydrophobicContact CD2-CG1 4.32Å; F863-I906 HydrophobicContact CE2-CD1 4.32Å; F863-M907 CarbonylContact C-O 3.59Å; F863-I908 HydrophobicContact CB-CG1 4.31Å; F863-S936 VanDerWaalsContact CD1-CB 3.47Å; F863-L942 HydrophobicContact CB-CD2 4.42Å
864	F	97.9	Very high	93.8	Very high	20 Å²	20	34 Å²	34	9%	0.088	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.6	-175.2	-60.8	-98	0	0	0	109.9	E862 L872 I873 K874 I906 M907 K909	E862-F864 HydrophobicContact CG-CE2 3.83Å; E862-F864 HydrophobicContact CG-CZ 4.06Å; E862-F864 WeakPolarHBondContact OE1-CE2 3.26Å; E862-F864 WeakPolarHBondContact OE1-CZ 3.24Å; F864-L872 HydrophobicContact CB-CB 4.46Å; F864-L872 HydrophobicContact CB-CD2 4.43Å; F864-I873 VanDerWaalsContact CA-O 3.28Å; F864-I873 WeakPolarHBondContact CA-O 3.17Å; F864-K874 HydrophobicContact CD1-CB 4.06Å; F864-K874 HydrophobicContact CE1-CB 3.71Å; F864-K874 HydrophobicContact CE1-CG 4.13Å; F864-K874 HydrophobicContact CZ-CB 4.44Å; F864-K874 HydrophobicContact CZ-CG 4.37Å; F864-I906 CarbonylContact O-C 3.53Å; F864-I906 WeakPolarHBondContact O-CA 2.88Å; F864-I906 WeakPolarHBondContact O-CG1 3.46Å; F864-M907 HydrophobicContact CB-CB 4.45Å; F864-M907 PolarHBondContact N-O 2.71Å; F864-M907 PolarHBondContact O-N 3.27Å; F864-K909 HydrophobicContact CD2-CB 4.18Å; F864-K909 HydrophobicContact CD2-CD 3.96Å; F864-K909 HydrophobicContact CD2-CG 3.69Å; F864-K909 HydrophobicContact CE1-CD 4.33Å; F864-K909 HydrophobicContact CE2-CB 3.72Å; F864-K909 HydrophobicContact CE2-CD 3.74Å; F864-K909 HydrophobicContact CE2-CG 3.65Å; F864-K909 HydrophobicContact CG-CD 4.39Å; F864-K909 HydrophobicContact CG-CG 4.47Å; F864-K909 HydrophobicContact CZ-CB 4.47Å; F864-K909 HydrophobicContact CZ-CD 3.93Å; F864-K909 HydrophobicContact CZ-CG 4.36Å
865	T	98.3	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	158.5	170.4	66.9	0	0	0	0	108.6	F863 L872 I873 R875 I902 I906	F863-T865 HydrophobicContact CD2-CG2 4.13Å; F863-T865 HydrophobicContact CE2-CG2 3.85Å; T865-L872 CarbonylContact O-C 3.56Å; T865-L872 VanDerWaalsContact O-CA 3.3Å; T865-L872 WeakPolarHBondContact O-CA 3.5Å; T865-I873 PolarHBondContact N-O 2.94Å; T865-I873 VanDerWaalsContact N-O 3.09Å; T865-I873 WeakPolarHBondContact O-CG2 3.29Å; T865-I873 PolarHBondContact O-N 3.31Å; T865-I873 WeakPolarHBondContact OG1-CG2 3.35Å; T865-R875 HydrophobicContact CG2-CG 3.93Å; T865-R875 PolarHBondContact OG1-NE 2.99Å; T865-R875 PolarHBondContact OG1-NH2 3.02Å; T865-I902 HydrophobicContact CG2-CD1 3.34Å; T865-I906 HydrophobicContact CG2-CD1 4.39Å; T865-I906 HydrophobicContact CG2-CG1 4.2Å
866	D	97.5	Very high	94.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	158.9	165.6	71	84	0	0	0	111.7	G869 R871 V903 N904 R905	D866-G869 WeakPolarHBondContact OD1-CA 3.34Å; D866-G869 PolarHBondContact OD1-N 3.43Å; D866-R871 CarbonylContact C-O 3.54Å; D866-R871 WeakPolarHBondContact CA-O 3.4Å; D866-V903 WeakPolarHBondContact OD1-CB 3.22Å; D866-V903 WeakPolarHBondContact OD1-CG2 3.4Å; D866-V903 PolarHBondContact OD1-N 3.23Å; D866-V903 PolarHBondContact OD2-N 2.94Å; D866-N904 PolarHBondContact OD2-N 2.89Å; D866-R905 HydrophobicContact CB-CG 4.03Å; D866-R905 PolarHBondContact N-O 2.99Å; D866-R905 PolarHBondContact OD2-N 2.75Å; D866-R905 VanDerWaalsContact OD2-O 3.05Å
867	S	96.3	Very high	95	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111.6	169.3	178.5	0	0	0	0	106.8	S186 D188 G869 R870 R871	S186-S867 PolarHBondContact OG-OG 2.94Å; D188-S867 WeakPolarHBondContact CB-O 3.47Å; D188-S867 WeakPolarHBondContact CB-OG 3.45Å; D188-S867 PolarHBondContact N-OG 3.06Å; D188-S867 VanDerWaalsContact OD2-CB 3.28Å; D188-S867 WeakPolarHBondContact OD2-CB 3.38Å; D188-S867 PolarHBondContact OD2-OG 3.34Å; S867-G869 PolarHBondContact O-N 3.24Å; S867-G869 VanDerWaalsContact O-N 3.11Å; S867-R870 PolarHBondContact O-N 3.07Å; S867-R871 PolarHBondContact N-O 2.94Å
868	S	96.1	Very high	95.3	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.021	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	30.2	-173.6	-54.3	0	0	0	0	114.6	E145 Y150 S186 R870	E145-S868 PolarHBondContact O-OG 2.88Å; E145-S868 VanDerWaalsContact O-OG 3.09Å; Y150-S868 WeakPolarHBondContact CB-O 3.45Å; Y150-S868 PolarHBondContact N-O 3.46Å; S186-S868 WeakPolarHBondContact CB-OG 3.39Å; S186-S868 PolarHBondContact OG-OG 3.49Å; S868-R870 VanDerWaalsContact C-N 3.27Å; S868-R870 PolarHBondContact O-N 3.01Å
869	G	96.6	Very high	95.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-3.3	-178.3	0	0	0	0	0	115.8	D866 S867 R905	D866-G869 WeakPolarHBondContact OD1-CA 3.34Å; D866-G869 PolarHBondContact OD1-N 3.43Å; S867-G869 PolarHBondContact O-N 3.24Å; S867-G869 VanDerWaalsContact O-N 3.11Å; G869-R905 PolarHBondContact O-NH1 3.08Å; G869-R905 VanDerWaalsContact O-NH1 3.13Å
870	R	94.3	Very high	95.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-81.6	-171.2	-169.4	178.1	174.7	-160.5	-8.5	112.4	Y150 D188 N191 S867 S868 R905 E1060 D1135	Y150-R870 HydrophobicContact CD1-CB 3.91Å; Y150-R870 HydrophobicContact CD1-CG 4.48Å; Y150-R870 HydrophobicContact CD2-CB 4.42Å; Y150-R870 HydrophobicContact CD2-CG 4.29Å; Y150-R870 HydrophobicContact CE1-CB 4.39Å; Y150-R870 HydrophobicContact CE2-CG 4.44Å; Y150-R870 HydrophobicContact CG-CB 3.94Å; Y150-R870 HydrophobicContact CG-CG 4.32Å; D188-R870 HydrophobicContact CB-CB 4.43Å; N191-R870 PolarHBondContact OD1-NH1 2.85Å; S867-R870 PolarHBondContact O-N 3.07Å; S868-R870 VanDerWaalsContact C-N 3.27Å; S868-R870 PolarHBondContact O-N 3.01Å; R870-R905 PolarHBondContact O-NH1 2.84Å; R870-R905 PolarHBondContact O-NH2 2.86Å; R870-E1060 IonicContact NE-OE1 2.87Å; R870-E1060 PolarHBondContact NE-OE1 2.86Å; R870-E1060 VanDerWaalsContact NE-OE1 3.16Å; R870-D1135 PolarHBondContact NH2-O 3.44Å
871	R	92.6	Very high	95.4	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.045	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	161.3	-179.9	-78.6	173.8	-84	-155.8	-0.9	111.4	D188 N191 D866 S867 D1135	D188-R871 IonicContact OD1-CZ 3.92Å; D188-R871 IonicContact OD1-NE 3.27Å; D188-R871 PolarHBondContact OD1-NE 3.39Å; D188-R871 IonicContact OD1-NH2 2.73Å; D188-R871 PolarHBondContact OD1-NH2 3Å; N191-R871 VanDerWaalsContact CG-NH2 3.3Å; N191-R871 PolarHBondContact OD1-NH2 3.05Å; D866-R871 CarbonylContact C-O 3.54Å; D866-R871 WeakPolarHBondContact CA-O 3.4Å; S867-R871 PolarHBondContact N-O 2.94Å; R871-D1135 WeakPolarHBondContact CD-OD1 3.2Å; R871-D1135 VanDerWaalsContact CD-OD2 3.28Å; R871-D1135 WeakPolarHBondContact CD-OD2 3.49Å; R871-D1135 IonicContact CZ-OD2 3.72Å; R871-D1135 IonicContact NE-OD2 3.98Å; R871-D1135 IonicContact NH1-OD2 3.84Å; R871-D1135 PolarHBondContact NH1-OD2 3.29Å
872	L	94.2	Very high	95.1	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.052	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	153	172.9	-65.5	171.6	0	0	0	110.9	R187 Y228 F864 T865 R905 M907	R187-L872 PolarHBondContact NH2-O 3Å; Y228-L872 WeakPolarHBondContact CE2-O 3.47Å; F864-L872 HydrophobicContact CB-CB 4.46Å; F864-L872 HydrophobicContact CB-CD2 4.43Å; T865-L872 CarbonylContact O-C 3.56Å; T865-L872 VanDerWaalsContact O-CA 3.3Å; T865-L872 WeakPolarHBondContact O-CA 3.5Å; L872-R905 HydrophobicContact CD2-CG 4.11Å; L872-M907 HydrophobicContact CD1-CE 3.28Å; L872-M907 HydrophobicContact CD1-SD 3.77Å; L872-M907 HydrophobicContact CD2-CG 4.36Å; L872-M907 HydrophobicContact CD2-SD 4.26Å
873	I	93.1	Very high	94.8	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.051	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.2	170.8	-177.8	165.3	0	0	0	108.7	D373 F864 T865 R875	D373-I873 HydrophobicContact CB-CD1 4.16Å; F864-I873 VanDerWaalsContact CA-O 3.28Å; F864-I873 WeakPolarHBondContact CA-O 3.17Å; T865-I873 PolarHBondContact N-O 2.94Å; T865-I873 VanDerWaalsContact N-O 3.09Å; T865-I873 WeakPolarHBondContact O-CG2 3.29Å; T865-I873 PolarHBondContact O-N 3.31Å; T865-I873 WeakPolarHBondContact OG1-CG2 3.35Å; I873-R875 VanDerWaalsContact CG2-CZ 3.48Å; I873-R875 VanDerWaalsContact CG2-NH2 3.34Å
874	K	95	Very high	94.3	Very high	93 Å²	93	30.7 Å²	30.7	40%	0.404	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.6	179	175.8	171.1	164.6	162.4	0	109.5	E862 F864	E862-K874 HydrophobicContact CG-CD 4.39Å; E862-K874 HydrophobicContact CG-CG 4.27Å; E862-K874 WeakPolarHBondContact OE2-CD 3.13Å; E862-K874 WeakPolarHBondContact OE2-CE 3.44Å; E862-K874 IonicContact OE2-NZ 3.2Å; E862-K874 PolarHBondContact OE2-NZ 3.49Å; F864-K874 HydrophobicContact CD1-CB 4.06Å; F864-K874 HydrophobicContact CE1-CB 3.71Å; F864-K874 HydrophobicContact CE1-CG 4.13Å; F864-K874 HydrophobicContact CZ-CB 4.44Å; F864-K874 HydrophobicContact CZ-CG 4.37Å
875	R	96.6	Very high	94	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.5	173.7	-53.5	-52.5	-171.6	173.7	1	109.4	D373 E862 F863 T865 I873 Y900	D373-R875 VanDerWaalsContact CG-NH1 3.34Å; D373-R875 IonicContact OD1-CZ 3.27Å; D373-R875 IonicContact OD1-NH1 2.65Å; D373-R875 PolarHBondContact OD1-NH1 2.95Å; D373-R875 IonicContact OD1-NH2 2.68Å; D373-R875 IonicContact OD2-CZ 3.18Å; D373-R875 IonicContact OD2-NH1 3.58Å; D373-R875 PolarHBondContact OD2-NH1 3.23Å; D373-R875 IonicContact OD2-NH2 2.64Å; D373-R875 PolarHBondContact OD2-NH2 2.83Å; E862-R875 WeakPolarHBondContact CA-O 3.46Å; F863-R875 HydrophobicContact CD1-CB 3.82Å; F863-R875 HydrophobicContact CD2-CB 3.99Å; F863-R875 HydrophobicContact CD2-CG 4.24Å; F863-R875 HydrophobicContact CE1-CB 3.53Å; F863-R875 HydrophobicContact CE2-CB 3.71Å; F863-R875 HydrophobicContact CE2-CG 3.85Å; F863-R875 HydrophobicContact CG-CB 4.06Å; F863-R875 HydrophobicContact CZ-CB 3.5Å; F863-R875 VanDerWaalsContact CZ-CB 3.5Å; F863-R875 HydrophobicContact CZ-CG 4.04Å; F863-R875 PolarHBondContact N-O 3.09Å; F863-R875 PolarHBondContact O-N 3.06Å; F863-R875 VanDerWaalsContact O-O 3.13Å; T865-R875 HydrophobicContact CG2-CG 3.93Å; T865-R875 PolarHBondContact OG1-NE 2.99Å; T865-R875 PolarHBondContact OG1-NH2 3.02Å; I873-R875 VanDerWaalsContact CG2-CZ 3.48Å; I873-R875 VanDerWaalsContact CG2-NH2 3.34Å; R875-Y900 HydrophobicContact CB-CD2 4.37Å; R875-Y900 HydrophobicContact CB-CE2 3.98Å; R875-Y900 HydrophobicContact CG-CD1 4.3Å; R875-Y900 HydrophobicContact CG-CD2 3.98Å; R875-Y900 HydrophobicContact CG-CE1 4.29Å; R875-Y900 HydrophobicContact CG-CE2 4.01Å; R875-Y900 HydrophobicContact CG-CG 4.13Å; R875-Y900 VanDerWaalsContact NE-CD1 3.29Å
876	L	95.8	Very high	93.7	Very high	25 Å²	25	35.1 Å²	35.1	13%	0.131	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.8	176.4	-67.1	173.4	0	0	0	108.4	E862 N878 R879	E862-L876 HydrophobicContact CB-CD2 3.96Å; E862-L876 HydrophobicContact CG-CD2 4.31Å; L876-N878 PolarHBondContact O-N 2.92Å; L876-R879 HydrophobicContact CB-CB 3.87Å; L876-R879 VanDerWaalsContact CD1-CZ 3.43Å; L876-R879 PolarHBondContact O-N 3.34Å; L876-R879 VanDerWaalsContact O-N 3.13Å
877	R	97.3	Very high	93.4	Very high	54 Å²	54	38.9 Å²	38.9	20%	0.204	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	128.4	-179	-179.2	169.7	58.5	-116.8	1.6	110.9	G861 R879 N898 S936 L937 N938 D939	G861-R877 PolarHBondContact O-N 3.31Å; R877-R879 VanDerWaalsContact C-N 3.28Å; R877-R879 PolarHBondContact O-N 3.02Å; R877-N898 WeakPolarHBondContact CA-OD1 3.45Å; R877-S936 WeakPolarHBondContact CD-O 3.47Å; R877-S936 PolarHBondContact NH1-O 3.4Å; R877-L937 VanDerWaalsContact CD-O 3.3Å; R877-L937 WeakPolarHBondContact CD-O 3.19Å; R877-L937 PolarHBondContact NE-O 2.96Å; R877-L937 VanDerWaalsContact NH1-C 3.31Å; R877-L937 PolarHBondContact NH1-O 2.93Å; R877-N938 VanDerWaalsContact NH1-C 3.31Å; R877-N938 VanDerWaalsContact NH1-CA 3.32Å; R877-D939 IonicContact CZ-OD1 3.86Å; R877-D939 IonicContact NH1-OD1 2.82Å; R877-D939 PolarHBondContact NH1-OD1 3.38Å; R877-D939 IonicContact NH2-OD1 3.43Å; R877-D939 PolarHBondContact NH2-OD1 2.86Å
878	N	96.6	Very high	93.1	Very high	61 Å²	61	48.1 Å²	48.1	33%	0.326	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	27.6	-179.1	-56.3	-38.1	0	0	0	115.1	L876 Y889 E891 N898	L876-N878 PolarHBondContact O-N 2.92Å; N878-Y889 WeakPolarHBondContact O-CD1 2.94Å; N878-E891 HydrophobicContact CB-CB 3.89Å; N878-E891 HydrophobicContact CB-CG 4.49Å; N878-E891 WeakPolarHBondContact OD1-CG 3.29Å; N878-N898 PolarHBondContact N-OD1 2.78Å; N878-N898 PolarHBondContact OD1-ND2 3.2Å
879	R	94.1	Very high	92.9	Very high	114 Å²	114	49.7 Å²	49.7	43%	0.43	25%	0.251	S	S	.	.			trans	-135.9	155.7	-179.4	-78	175.1	54.5	-171.3	1.5	113.1	L876 R877 D881	L876-R879 HydrophobicContact CB-CB 3.87Å; L876-R879 VanDerWaalsContact CD1-CZ 3.43Å; L876-R879 PolarHBondContact O-N 3.34Å; L876-R879 VanDerWaalsContact O-N 3.13Å; R877-R879 VanDerWaalsContact C-N 3.28Å; R877-R879 PolarHBondContact O-N 3.02Å; R879-D881 IonicContact CZ-OD1 3.83Å; R879-D881 IonicContact CZ-OD2 3.71Å; R879-D881 IonicContact NE-OD1 2.77Å; R879-D881 PolarHBondContact NE-OD1 3.26Å; R879-D881 IonicContact NE-OD2 3.86Å; R879-D881 VanDerWaalsContact NH2-CG 3.29Å; R879-D881 IonicContact NH2-OD1 3.69Å; R879-D881 PolarHBondContact NH2-OD1 3.01Å; R879-D881 IonicContact NH2-OD2 2.98Å; R879-D881 PolarHBondContact NH2-OD2 3.3Å
880	R	93	Very high	92.7	Very high	15 Å²	15	56 Å²	56	6%	0.057	28%	0.28	C	S	.	.			trans	-146.1	64	-179.3	-65.1	-61.9	-175.4	-79.3	-10.5	110.6	D882 W883 Y889 G897 Y900	R880-D882 WeakPolarHBondContact CA-OD1 3.24Å; R880-D882 PolarHBondContact O-N 3.01Å; R880-W883 HydrophobicContact CB-CD2 3.75Å; R880-W883 HydrophobicContact CB-CE3 4.31Å; R880-W883 HydrophobicContact CB-CG 4Å; R880-W883 HydrophobicContact CB-CZ2 4.12Å; R880-W883 HydrophobicContact CG-CD2 4.34Å; R880-W883 HydrophobicContact CG-CH2 4.45Å; R880-W883 HydrophobicContact CG-CZ2 3.78Å; R880-Y889 HydrophobicContact CB-CD1 4.46Å; R880-Y889 HydrophobicContact CB-CD2 3.85Å; R880-Y889 HydrophobicContact CB-CE2 4.12Å; R880-Y889 HydrophobicContact CB-CG 4.03Å; R880-Y889 HydrophobicContact CG-CD1 4.18Å; R880-Y889 HydrophobicContact CG-CD2 3.64Å; R880-Y889 HydrophobicContact CG-CE1 3.93Å; R880-Y889 HydrophobicContact CG-CE2 3.37Å; R880-Y889 HydrophobicContact CG-CG 4.04Å; R880-Y889 PolarHBondContact NH2-OH 3.27Å; R880-G897 PolarHBondContact NH2-O 3.22Å; R880-Y900 PolarHBondContact NH1-OH 3.37Å
881	D	88.2	Confident	92.7	Very high	106 Å²	106	56.7 Å²	56.7	57%	0.567	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-73.9	-18.4	-177.2	-73.3	41.6	0	0	0	112.7	R879	R879-D881 IonicContact CZ-OD1 3.83Å; R879-D881 IonicContact CZ-OD2 3.71Å; R879-D881 IonicContact NE-OD1 2.77Å; R879-D881 PolarHBondContact NE-OD1 3.26Å; R879-D881 IonicContact NE-OD2 3.86Å; R879-D881 VanDerWaalsContact NH2-CG 3.29Å; R879-D881 IonicContact NH2-OD1 3.69Å; R879-D881 PolarHBondContact NH2-OD1 3.01Å; R879-D881 IonicContact NH2-OD2 2.98Å; R879-D881 PolarHBondContact NH2-OD2 3.3Å
882	D	88	Confident	92.6	Very high	33 Å²	33	60.6 Å²	60.6	18%	0.176	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-76.8	-17.9	-177	53.9	-25.4	0	0	0	114	S371 R880 G884	S371-D882 PolarHBondContact OG-O 2.84Å; R880-D882 WeakPolarHBondContact CA-OD1 3.24Å; R880-D882 PolarHBondContact O-N 3.01Å; D882-G884 PolarHBondContact O-N 3.22Å
883	W	91.2	Very high	92.6	Very high	13 Å²	13	60.3 Å²	60.3	5%	0.049	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27.6	-178.8	-69.4	0.9	0	0	0	113.7	D207 R209 E210 R214 R880 I885 M887 Y889	D207-W883 HydrophobicContact CB-CH2 4.07Å; D207-W883 HydrophobicContact CB-CZ2 3.7Å; R209-W883 HydrophobicContact CB-CH2 4.1Å; R209-W883 HydrophobicContact CB-CZ3 4.19Å; E210-W883 HydrophobicContact CB-CD2 4.15Å; E210-W883 HydrophobicContact CB-CE3 4.13Å; E210-W883 HydrophobicContact CB-CH2 4.16Å; E210-W883 HydrophobicContact CB-CZ2 4.21Å; E210-W883 HydrophobicContact CB-CZ3 4.13Å; E210-W883 HydrophobicContact CG-CD2 4.3Å; E210-W883 HydrophobicContact CG-CG 4.47Å; R214-W883 PolarHBondContact NH2-O 2.78Å; R880-W883 HydrophobicContact CB-CD2 3.75Å; R880-W883 HydrophobicContact CB-CE3 4.31Å; R880-W883 HydrophobicContact CB-CG 4Å; R880-W883 HydrophobicContact CB-CZ2 4.12Å; R880-W883 HydrophobicContact CG-CD2 4.34Å; R880-W883 HydrophobicContact CG-CH2 4.45Å; R880-W883 HydrophobicContact CG-CZ2 3.78Å; W883-I885 HydrophobicContact CB-CD1 4.32Å; W883-I885 HydrophobicContact CB-CG1 3.89Å; W883-I885 HydrophobicContact CE3-CD1 3.87Å; W883-I885 HydrophobicContact CE3-CG1 4.35Å; W883-I885 PolarHBondContact O-N 3.21Å; W883-M887 HydrophobicContact CZ3-SD 4.37Å; W883-Y889 HydrophobicContact CE3-CD2 4.46Å; W883-Y889 AromaticContact CH2-CD2 3.74Å; W883-Y889 HydrophobicContact CH2-CD2 3.74Å; W883-Y889 AromaticContact CH2-CE2 3.67Å; W883-Y889 HydrophobicContact CH2-CE2 3.67Å; W883-Y889 HydrophobicContact CZ2-CD2 4.32Å; W883-Y889 HydrophobicContact CZ2-CE2 4.03Å; W883-Y889 AromaticContact CZ3-CD2 3.82Å; W883-Y889 HydrophobicContact CZ3-CD2 3.82Å; W883-Y889 HydrophobicContact CZ3-CE2 4.23Å
884	G	87.5	Confident	92.6	Very high	62 Å²	62	63.3 Å²	63.3	64%	0.639	32%	0.317	S	S	*	.			trans	66	17.9	176.8	0	0	0	0	0	115.3	D882	D882-G884 PolarHBondContact O-N 3.22Å
885	I	92.5	Very high	92.7	Very high	19 Å²	19	59 Å²	59	10%	0.097	30%	0.298	C	S	.	.	S	Bend	trans	-111.9	148.1	-179	55.5	175.8	0	0	0	111.8	E210 K213 R214 L217 W883 M887	E210-I885 HydrophobicContact CB-CD1 4.46Å; E210-I885 HydrophobicContact CG-CD1 4.06Å; K213-I885 HydrophobicContact CB-CD1 3.84Å; K213-I885 HydrophobicContact CG-CB 4.33Å; K213-I885 HydrophobicContact CG-CD1 3.8Å; K213-I885 HydrophobicContact CG-CG1 4.48Å; R214-I885 HydrophobicContact CG-CG2 4.44Å; L217-I885 HydrophobicContact CD1-CB 4.3Å; L217-I885 HydrophobicContact CD1-CG2 4.1Å; W883-I885 HydrophobicContact CB-CD1 4.32Å; W883-I885 HydrophobicContact CB-CG1 3.89Å; W883-I885 HydrophobicContact CE3-CD1 3.87Å; W883-I885 HydrophobicContact CE3-CG1 4.35Å; W883-I885 PolarHBondContact O-N 3.21Å; I885-M887 HydrophobicContact CD1-CB 4.4Å; I885-M887 HydrophobicContact CG1-CB 4.34Å; I885-M887 PolarHBondContact O-N 2.72Å
886	P	91.7	Very high	92.8	Very high	95 Å²	95	58.7 Å²	58.7	62%	0.617	30%	0.297	S	S	*	.	S	Bend	trans	-74.9	75.2	178.1	31.4	-36.5	0	0	0	111.1	K213 L217	K213-P886 WeakPolarHBondContact CE-O 3.46Å; L217-P886 HydrophobicContact CD1-CG 4.29Å
887	M	90.4	Very high	92.8	Very high	80 Å²	80	57.5 Å²	57.5	39%	0.394	29%	0.291	S	S	.	.			trans	-140.2	137.5	177	179.6	177.7	171.5	0	0	110.1	R209 W883 I885 Y889	R209-M887 HydrophobicContact CB-CE 4Å; R209-M887 HydrophobicContact CB-SD 4.36Å; R209-M887 HydrophobicContact CG-CE 4.4Å; W883-M887 HydrophobicContact CZ3-SD 4.37Å; I885-M887 HydrophobicContact CD1-CB 4.4Å; I885-M887 HydrophobicContact CG1-CB 4.34Å; I885-M887 PolarHBondContact O-N 2.72Å; M887-Y889 PolarHBondContact O-N 2.98Å
888	K	89.7	Confident	92.9	Very high	196 Å²	196	55 Å²	55	85%	0.852	28%	0.281	S	S	*	.			trans	-82	108.8	169.6	-172.9	177	-178.9	-179.7	0	109.1
889	Y	92	Very high	93	Very high	36 Å²	36	52 Å²	52	14%	0.141	27%	0.266	C	S	.	.			trans	-66.7	137.3	176	-174.1	-101.8	0	0	0	111.5	R209 N878 R880 W883 M887 E891	R209-Y889 PolarHBondContact NH2-OH 2.78Å; N878-Y889 WeakPolarHBondContact O-CD1 2.94Å; R880-Y889 HydrophobicContact CB-CD1 4.46Å; R880-Y889 HydrophobicContact CB-CD2 3.85Å; R880-Y889 HydrophobicContact CB-CE2 4.12Å; R880-Y889 HydrophobicContact CB-CG 4.03Å; R880-Y889 HydrophobicContact CG-CD1 4.18Å; R880-Y889 HydrophobicContact CG-CD2 3.64Å; R880-Y889 HydrophobicContact CG-CE1 3.93Å; R880-Y889 HydrophobicContact CG-CE2 3.37Å; R880-Y889 HydrophobicContact CG-CG 4.04Å; R880-Y889 PolarHBondContact NH2-OH 3.27Å; W883-Y889 HydrophobicContact CE3-CD2 4.46Å; W883-Y889 AromaticContact CH2-CD2 3.74Å; W883-Y889 HydrophobicContact CH2-CD2 3.74Å; W883-Y889 AromaticContact CH2-CE2 3.67Å; W883-Y889 HydrophobicContact CH2-CE2 3.67Å; W883-Y889 HydrophobicContact CZ2-CD2 4.32Å; W883-Y889 HydrophobicContact CZ2-CE2 4.03Å; W883-Y889 AromaticContact CZ3-CD2 3.82Å; W883-Y889 HydrophobicContact CZ3-CD2 3.82Å; W883-Y889 HydrophobicContact CZ3-CE2 4.23Å; M887-Y889 PolarHBondContact O-N 2.98Å; Y889-E891 HydrophobicContact CE1-CB 3.87Å; Y889-E891 PolarHBondContact OH-OE2 3.12Å
890	H	92.8	Very high	93.2	Very high	132 Å²	132	46.8 Å²	46.8	61%	0.611	25%	0.246	S	C	*	.			trans	-135.4	124.6	171.5	-179.4	60.8	0	0	0	109.2	R209	R209-H890 PolarHBondContact NH1-O 3.17Å
891	E	94	Very high	93.5	Very high	17 Å²	17	46.4 Å²	46.4	8%	0.079	25%	0.245	C	C	.	.			trans	-92.8	116.3	177.2	-176.4	55	-96.9	0	0	111	Y384 N878 Y889 Q893	Y384-E891 PolarHBondContact OH-OE1 3.41Å; Y384-E891 PolarHBondContact OH-OE2 3.19Å; Y384-E891 VanDerWaalsContact OH-OE2 3.1Å; N878-E891 HydrophobicContact CB-CB 3.89Å; N878-E891 HydrophobicContact CB-CG 4.49Å; N878-E891 WeakPolarHBondContact OD1-CG 3.29Å; Y889-E891 HydrophobicContact CE1-CB 3.87Å; Y889-E891 PolarHBondContact OH-OE2 3.12Å; E891-Q893 WeakPolarHBondContact OE1-CA 3.3Å; E891-Q893 PolarHBondContact OE1-N 2.67Å
892	E	90.2	Very high	94	Very high	94 Å²	94	41.3 Å²	41.3	44%	0.439	22%	0.218	S	C	.	.	S	Bend	trans	-89.3	-23	175.5	-64.9	-177	-173	0	0	112.6	K784	K784-E892 PolarHBondContact NZ-O 2.92Å
893	Q	94	Very high	94.5	Very high	5 Å²	5	39.9 Å²	39.9	2%	0.023	21%	0.21	C	C	.	.			trans	-114.4	76.6	178.1	-58	-63.1	-22	0	0	110.1	S381 Y384 K784 E891 I895 T896 G897	S381-Q893 VanDerWaalsContact O-CG 3.24Å; S381-Q893 WeakPolarHBondContact O-CG 3.23Å; S381-Q893 PolarHBondContact O-NE2 2.95Å; Y384-Q893 HydrophobicContact CD2-CB 3.91Å; Y384-Q893 HydrophobicContact CD2-CG 3.81Å; Y384-Q893 HydrophobicContact CE2-CB 3.52Å; Y384-Q893 HydrophobicContact CE2-CG 3.47Å; Y384-Q893 VanDerWaalsContact CE2-CG 3.47Å; K784-Q893 VanDerWaalsContact CE-NE2 3.31Å; E891-Q893 WeakPolarHBondContact OE1-CA 3.3Å; E891-Q893 PolarHBondContact OE1-N 2.67Å; Q893-I895 PolarHBondContact O-N 2.86Å; Q893-T896 VanDerWaalsContact CB-OG1 3.27Å; Q893-T896 WeakPolarHBondContact CB-OG1 3.42Å; Q893-T896 PolarHBondContact O-N 3.39Å; Q893-G897 WeakPolarHBondContact O-CA 3.47Å; Q893-G897 PolarHBondContact O-N 3.33Å
894	N	94.4	Very high	94.8	Very high	72 Å²	72	39.3 Å²	39.3	39%	0.385	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-9.4	-175.9	65.1	-4.1	0	0	0	115.4	N898	N894-N898 PolarHBondContact O-ND2 3.43Å
895	I	97.7	Very high	95.3	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-69.2	171.6	-62.5	162.2	0	0	0	109.2	Y764 F779 P781 S785 Q893 G897 N898 Y899 L937	Y764-I895 HydrophobicContact CE1-CD1 4.12Å; Y764-I895 HydrophobicContact CE1-CG2 4.08Å; F779-I895 HydrophobicContact CE1-CG2 4.04Å; F779-I895 HydrophobicContact CZ-CG2 4.24Å; P781-I895 HydrophobicContact CG-CD1 4.43Å; P781-I895 HydrophobicContact CG-CG2 4.14Å; S785-I895 WeakPolarHBondContact O-CD1 3.41Å; Q893-I895 PolarHBondContact O-N 2.86Å; I895-G897 VanDerWaalsContact C-N 3.34Å; I895-G897 PolarHBondContact O-N 3.32Å; I895-N898 PolarHBondContact O-N 3.27Å; I895-Y899 HydrophobicContact CG2-CD2 4.45Å; I895-Y899 HydrophobicContact CG2-CE2 4.05Å; I895-Y899 WeakPolarHBondContact O-CD2 3.48Å; I895-L937 HydrophobicContact CG1-CD1 4.35Å; I895-L937 HydrophobicContact CG2-CD1 4.3Å
896	T	97.3	Very high	95.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-69.4	-31.6	-168.9	62.4	0	0	0	0	112.6	Y384 F779 P781 Q893 N898 Y899	Y384-T896 WeakPolarHBondContact CD2-OG1 3.41Å; F779-T896 HydrophobicContact CD1-CG2 3.67Å; F779-T896 HydrophobicContact CE1-CG2 3.89Å; F779-T896 HydrophobicContact CG-CG2 4.06Å; F779-T896 HydrophobicContact CZ-CG2 4.47Å; F779-T896 WeakPolarHBondContact O-CB 3.09Å; F779-T896 WeakPolarHBondContact O-CG2 3.43Å; P781-T896 HydrophobicContact CG-CG2 4.12Å; Q893-T896 VanDerWaalsContact CB-OG1 3.27Å; Q893-T896 WeakPolarHBondContact CB-OG1 3.42Å; Q893-T896 PolarHBondContact O-N 3.39Å; T896-N898 PolarHBondContact O-N 3Å; T896-Y899 PolarHBondContact O-N 2.92Å
897	G	97.2	Very high	95.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-71.6	-2.2	172.7	0	0	0	0	0	114.6	R880 Q893 I895	R880-G897 PolarHBondContact NH2-O 3.22Å; Q893-G897 WeakPolarHBondContact O-CA 3.47Å; Q893-G897 PolarHBondContact O-N 3.33Å; I895-G897 VanDerWaalsContact C-N 3.34Å; I895-G897 PolarHBondContact O-N 3.32Å
898	N	97.9	Very high	96.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-114.9	5.5	172.1	-67.7	-63.1	0	0	0	113.5	R877 N878 N894 I895 T896 Y900 T935 L937	R877-N898 WeakPolarHBondContact CA-OD1 3.45Å; N878-N898 PolarHBondContact N-OD1 2.78Å; N878-N898 PolarHBondContact OD1-ND2 3.2Å; N894-N898 PolarHBondContact O-ND2 3.43Å; I895-N898 PolarHBondContact O-N 3.27Å; T896-N898 PolarHBondContact O-N 3Å; N898-Y900 WeakPolarHBondContact O-CD2 3.46Å; N898-Y900 VanDerWaalsContact O-CE2 3.25Å; N898-Y900 WeakPolarHBondContact O-CE2 3.47Å; N898-T935 WeakPolarHBondContact CB-OG1 3.33Å; N898-T935 WeakPolarHBondContact O-CB 3.23Å; N898-T935 PolarHBondContact O-OG1 3.16Å; N898-L937 HydrophobicContact CB-CD2 4.33Å
899	Y	98.5	Very high	96.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.			trans	-82.1	136	170.5	-93.6	-107	0	0	0	110.2	P376 F779 I895 T896 G934 T935 E943 M945	P376-Y899 WeakPolarHBondContact CB-O 3.39Å; F779-Y899 HydrophobicContact CD1-CD1 4.48Å; F779-Y899 HydrophobicContact CD1-CD2 4.23Å; F779-Y899 HydrophobicContact CD1-CE2 4.43Å; F779-Y899 HydrophobicContact CD1-CG 4.25Å; F779-Y899 HydrophobicContact CE1-CD1 4.45Å; F779-Y899 AromaticContact CE1-CD2 3.79Å; F779-Y899 HydrophobicContact CE1-CD2 3.79Å; F779-Y899 HydrophobicContact CE1-CE1 4.28Å; F779-Y899 AromaticContact CE1-CE2 3.6Å; F779-Y899 HydrophobicContact CE1-CE2 3.6Å; F779-Y899 HydrophobicContact CE1-CG 4.21Å; F779-Y899 AromaticContact CE1-CZ 3.85Å; F779-Y899 HydrophobicContact CZ-CE2 4.44Å; I895-Y899 HydrophobicContact CG2-CD2 4.45Å; I895-Y899 HydrophobicContact CG2-CE2 4.05Å; I895-Y899 WeakPolarHBondContact O-CD2 3.48Å; T896-Y899 PolarHBondContact O-N 2.92Å; Y899-G934 WeakPolarHBondContact CA-O 3.44Å; Y899-T935 HydrophobicContact CD2-CG2 3.77Å; Y899-T935 HydrophobicContact CE1-CG2 4.44Å; Y899-T935 HydrophobicContact CE2-CG2 3.37Å; Y899-T935 HydrophobicContact CG-CG2 4.46Å; Y899-E943 PolarHBondContact OH-OE1 3.07Å; Y899-M945 HydrophobicContact CE1-CB 4.04Å; Y899-M945 HydrophobicContact CE1-CE 3.92Å
900	Y	98.7	Very high	96.6	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.016	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.1	-179.2	-65.6	-87	0	0	0	109.9	F375 Y389 F863 R875 R880 N898 I902 G934	F375-Y900 HydrophobicContact CB-CD1 4.35Å; F375-Y900 WeakPolarHBondContact O-CE1 3.39Å; Y389-Y900 VanDerWaalsContact CE2-C 3.48Å; F863-Y900 HydrophobicContact CE1-CE2 4.32Å; F863-Y900 AromaticContact CE2-CD2 3.89Å; F863-Y900 HydrophobicContact CE2-CD2 3.89Å; F863-Y900 HydrophobicContact CE2-CE2 4.28Å; F863-Y900 AromaticContact CZ-CD2 3.55Å; F863-Y900 HydrophobicContact CZ-CD2 3.55Å; F863-Y900 AromaticContact CZ-CE2 3.53Å; F863-Y900 HydrophobicContact CZ-CE2 3.53Å; R875-Y900 HydrophobicContact CB-CD2 4.37Å; R875-Y900 HydrophobicContact CB-CE2 3.98Å; R875-Y900 HydrophobicContact CG-CD1 4.3Å; R875-Y900 HydrophobicContact CG-CD2 3.98Å; R875-Y900 HydrophobicContact CG-CE1 4.29Å; R875-Y900 HydrophobicContact CG-CE2 4.01Å; R875-Y900 HydrophobicContact CG-CG 4.13Å; R875-Y900 VanDerWaalsContact NE-CD1 3.29Å; R880-Y900 PolarHBondContact NH1-OH 3.37Å; N898-Y900 WeakPolarHBondContact O-CD2 3.46Å; N898-Y900 VanDerWaalsContact O-CE2 3.25Å; N898-Y900 WeakPolarHBondContact O-CE2 3.47Å; Y900-I902 PolarHBondContact O-N 3.41Å; Y900-G934 PolarHBondContact N-O 3.02Å; Y900-G934 PolarHBondContact O-N 2.77Å
901	P	98.7	Very high	96.7	Very high	6 Å²	6	12.5 Å²	12.5	4%	0.039	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.9	175	25	-31.1	0	0	0	111.3	A146 F375 Y389	A146-P901 HydrophobicContact CB-CB 3.91Å; A146-P901 HydrophobicContact CB-CG 4.28Å; A146-P901 WeakPolarHBondContact O-CB 3.4Å; F375-P901 HydrophobicContact CB-CG 4.41Å; F375-P901 HydrophobicContact CD1-CG 4.4Å; F375-P901 HydrophobicContact CD2-CG 3.74Å; F375-P901 HydrophobicContact CE2-CG 4.05Å; F375-P901 HydrophobicContact CG-CG 3.93Å; Y389-P901 HydrophobicContact CD1-CB 4.09Å; Y389-P901 HydrophobicContact CE1-CB 4.12Å; Y389-P901 HydrophobicContact CE1-CG 4.38Å; Y389-P901 HydrophobicContact CG-CB 4.34Å
902	I	98.8	Very high	96.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	93.9	172.7	-48.4	-49.2	0	0	0	106.6	T865 Y900 N904 I906 T928 S931 Q932 L944	T865-I902 HydrophobicContact CG2-CD1 3.34Å; Y900-I902 PolarHBondContact O-N 3.41Å; I902-N904 VanDerWaalsContact C-N 3.34Å; I902-I906 HydrophobicContact CD1-CB 3.8Å; I902-I906 HydrophobicContact CD1-CD1 4Å; I902-I906 HydrophobicContact CD1-CG1 4.13Å; I902-I906 HydrophobicContact CG1-CB 4.28Å; I902-I906 HydrophobicContact CG2-CB 4.23Å; I902-I906 HydrophobicContact CG2-CG2 4.39Å; I902-T928 HydrophobicContact CG2-CG2 4.08Å; I902-S931 CarbonylContact O-C 3.52Å; I902-S931 VanDerWaalsContact O-CA 3.26Å; I902-S931 WeakPolarHBondContact O-CA 3.45Å; I902-Q932 WeakPolarHBondContact CA-O 3.46Å; I902-Q932 WeakPolarHBondContact CB-O 3.49Å; I902-Q932 PolarHBondContact N-O 3.07Å; I902-Q932 PolarHBondContact O-N 3.15Å; I902-L944 HydrophobicContact CG2-CD2 4.19Å
903	V	98.5	Very high	96.4	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.012	4%	0.042	C	C	.	.	S	Bend	trans	-75.2	-34.1	179.7	-171.1	0	0	0	0	110.2	A146 Y149 D866	A146-V903 WeakPolarHBondContact O-CG2 3.26Å; Y149-V903 HydrophobicContact CD2-CG1 3.84Å; D866-V903 WeakPolarHBondContact OD1-CB 3.22Å; D866-V903 WeakPolarHBondContact OD1-CG2 3.4Å; D866-V903 PolarHBondContact OD1-N 3.23Å; D866-V903 PolarHBondContact OD2-N 2.94Å
904	N	97.6	Very high	95.7	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.011	7%	0.065	C	C	.	.	S	Bend	trans	-149.4	-25.6	-176.2	-175.1	-107	0	0	0	114.7	Y149 D866 I902 Y927 T928 A996	Y149-N904 HydrophobicContact CD2-CB 4.41Å; Y149-N904 HydrophobicContact CE2-CB 3.89Å; D866-N904 PolarHBondContact OD2-N 2.89Å; I902-N904 VanDerWaalsContact C-N 3.34Å; N904-Y927 CarbonylContact O-C 3.52Å; N904-Y927 VanDerWaalsContact O-CA 3.24Å; N904-Y927 WeakPolarHBondContact O-CA 3.26Å; N904-T928 WeakPolarHBondContact CA-OG1 3.31Å; N904-T928 PolarHBondContact O-N 2.86Å; N904-A996 PolarHBondContact ND2-O 2.86Å; N904-A996 VanDerWaalsContact OD1-CA 3.25Å; N904-A996 WeakPolarHBondContact OD1-CA 3.41Å; N904-A996 WeakPolarHBondContact OD1-CB 3.45Å; N904-A996 PolarHBondContact OD1-O 2.9Å
905	R	98.4	Very high	94.4	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.015	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	149.5	-179.5	64.2	-165.7	-169.1	-74.9	3.7	117	D866 G869 R870 L872 I926 Y927 D992	D866-R905 HydrophobicContact CB-CG 4.03Å; D866-R905 PolarHBondContact N-O 2.99Å; D866-R905 PolarHBondContact OD2-N 2.75Å; D866-R905 VanDerWaalsContact OD2-O 3.05Å; G869-R905 PolarHBondContact O-NH1 3.08Å; G869-R905 VanDerWaalsContact O-NH1 3.13Å; R870-R905 PolarHBondContact O-NH1 2.84Å; R870-R905 PolarHBondContact O-NH2 2.86Å; L872-R905 HydrophobicContact CD2-CG 4.11Å; R905-I926 CarbonylContact C-O 3.59Å; R905-I926 WeakPolarHBondContact CA-O 3.46Å; R905-I926 WeakPolarHBondContact CB-O 3.42Å; R905-Y927 HydrophobicContact CB-CD1 3.74Å; R905-Y927 HydrophobicContact CB-CE1 4.14Å; R905-Y927 HydrophobicContact CB-CG 4.39Å; R905-D992 WeakPolarHBondContact CD-OD1 3.39Å; R905-D992 IonicContact CZ-OD1 2.61Å; R905-D992 IonicContact CZ-OD2 2.82Å; R905-D992 VanDerWaalsContact NE-CG 3.27Å; R905-D992 IonicContact NE-OD1 3.67Å; R905-D992 PolarHBondContact NE-OD1 2.71Å; R905-D992 IonicContact NE-OD2 3.9Å; R905-D992 PolarHBondContact NE-OD2 3.16Å; R905-D992 IonicContact NH2-OD2 3.63Å; R905-D992 PolarHBondContact NH2-OD2 2.96Å; R905-D992 VanDerWaalsContact NH2-OD2 3.08Å
906	I	98.8	Very high	93	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.9	174.2	-176	174.3	0	0	0	109.7	F863 F864 T865 I902 I926 L942 L944	F863-I906 HydrophobicContact CD2-CD1 4.13Å; F863-I906 HydrophobicContact CD2-CG1 4.32Å; F863-I906 HydrophobicContact CE2-CD1 4.32Å; F864-I906 CarbonylContact O-C 3.53Å; F864-I906 WeakPolarHBondContact O-CA 2.88Å; F864-I906 WeakPolarHBondContact O-CG1 3.46Å; T865-I906 HydrophobicContact CG2-CD1 4.39Å; T865-I906 HydrophobicContact CG2-CG1 4.2Å; I902-I906 HydrophobicContact CD1-CB 3.8Å; I902-I906 HydrophobicContact CD1-CD1 4Å; I902-I906 HydrophobicContact CD1-CG1 4.13Å; I902-I906 HydrophobicContact CG1-CB 4.28Å; I902-I906 HydrophobicContact CG2-CB 4.23Å; I902-I906 HydrophobicContact CG2-CG2 4.39Å; I906-I926 HydrophobicContact CG2-CB 3.87Å; I906-I926 HydrophobicContact CG2-CG1 4.23Å; I906-I926 PolarHBondContact N-O 3.46Å; I906-I926 PolarHBondContact O-N 2.96Å; I906-L942 HydrophobicContact CD1-CD2 3.74Å; I906-L942 HydrophobicContact CG1-CD1 4.35Å; I906-L942 HydrophobicContact CG1-CD2 3.83Å; I906-L942 HydrophobicContact CG2-CD1 4.3Å; I906-L944 HydrophobicContact CG2-CD1 3.94Å; I906-L944 HydrophobicContact CG2-CD2 3.88Å; I906-L944 HydrophobicContact CG2-CG 4.12Å
907	M	98.3	Very high	91.6	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.4	-173	-40.5	-168.9	-22.6	0	0	114	F863 F864 L872 K909 L924 A925 D992	F863-M907 CarbonylContact C-O 3.59Å; F864-M907 HydrophobicContact CB-CB 4.45Å; F864-M907 PolarHBondContact N-O 2.71Å; F864-M907 PolarHBondContact O-N 3.27Å; L872-M907 HydrophobicContact CD1-CE 3.28Å; L872-M907 HydrophobicContact CD1-SD 3.77Å; L872-M907 HydrophobicContact CD2-CG 4.36Å; L872-M907 HydrophobicContact CD2-SD 4.26Å; M907-K909 HydrophobicContact CE-CD 4.32Å; M907-K909 HydrophobicContact CE-CG 4.07Å; M907-L924 CarbonylContact C-O 3.43Å; M907-L924 WeakPolarHBondContact CA-O 3.32Å; M907-L924 WeakPolarHBondContact CB-O 3.44Å; M907-A925 HydrophobicContact CB-CB 4.35Å; M907-A925 HydrophobicContact CG-CB 3.79Å; M907-A925 HydrophobicContact SD-CB 3.8Å; M907-D992 VanDerWaalsContact SD-OD1 3.42Å
908	I	97.9	Very high	90.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	161.1	-58.7	176.7	0	0	0	107	F863 I911 G923 L924 L942	F863-I908 HydrophobicContact CB-CG1 4.31Å; I908-I911 HydrophobicContact CB-CD1 4.17Å; I908-I911 HydrophobicContact CB-CG1 4.44Å; I908-I911 HydrophobicContact CG2-CD1 3.94Å; I908-I911 HydrophobicContact CG2-CG1 3.69Å; I908-G923 CarbonylContact O-C 3.49Å; I908-G923 VanDerWaalsContact O-CA 3.31Å; I908-G923 WeakPolarHBondContact O-CA 3.36Å; I908-L924 PolarHBondContact N-O 2.93Å; I908-L924 PolarHBondContact O-N 2.89Å; I908-L942 HydrophobicContact CD1-CD2 3.85Å; I908-L942 HydrophobicContact CD1-CG 3.81Å; I908-L942 HydrophobicContact CG1-CD1 4.12Å; I908-L942 HydrophobicContact CG1-CD2 3.55Å; I908-L942 HydrophobicContact CG1-CG 3.79Å
909	K	95.4	Very high	89.7	Confident	28 Å²	28	39.2 Å²	39.2	12%	0.122	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	163.8	174.4	-60.2	-173	176.4	-161.9	0	110.2	F864 M907 I911 L985 E989	F864-K909 HydrophobicContact CD2-CB 4.18Å; F864-K909 HydrophobicContact CD2-CD 3.96Å; F864-K909 HydrophobicContact CD2-CG 3.69Å; F864-K909 HydrophobicContact CE1-CD 4.33Å; F864-K909 HydrophobicContact CE2-CB 3.72Å; F864-K909 HydrophobicContact CE2-CD 3.74Å; F864-K909 HydrophobicContact CE2-CG 3.65Å; F864-K909 HydrophobicContact CG-CD 4.39Å; F864-K909 HydrophobicContact CG-CG 4.47Å; F864-K909 HydrophobicContact CZ-CB 4.47Å; F864-K909 HydrophobicContact CZ-CD 3.93Å; F864-K909 HydrophobicContact CZ-CG 4.36Å; M907-K909 HydrophobicContact CE-CD 4.32Å; M907-K909 HydrophobicContact CE-CG 4.07Å; K909-I911 VanDerWaalsContact C-N 3.33Å; K909-I911 PolarHBondContact O-N 2.97Å; K909-L985 HydrophobicContact CB-CD1 3.88Å; K909-L985 HydrophobicContact CB-CD2 4.41Å; K909-L985 HydrophobicContact CD-CD1 4.38Å; K909-L985 HydrophobicContact CG-CD1 3.93Å; K909-E989 WeakPolarHBondContact CD-OE1 3.33Å; K909-E989 WeakPolarHBondContact CE-OE1 3.49Å; K909-E989 IonicContact NZ-OE1 3.71Å; K909-E989 PolarHBondContact NZ-OE1 2.85Å
910	N	94.4	Very high	89.1	Confident	19 Å²	19	40.2 Å²	40.2	10%	0.102	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.1	41.8	171.9	-55.5	-71.7	0	0	0	114.4	R858 L912 F922 L985	R858-N910 HydrophobicContact CB-CB 3.8Å; R858-N910 PolarHBondContact N-O 2.78Å; R858-N910 VanDerWaalsContact NH1-CG 3.26Å; R858-N910 PolarHBondContact NH1-ND2 3.04Å; R858-N910 VanDerWaalsContact NH1-ND2 3.18Å; R858-N910 PolarHBondContact NH1-OD1 2.86Å; R858-N910 PolarHBondContact NH2-ND2 3.46Å; N910-L912 WeakPolarHBondContact O-CG 3.33Å; N910-L912 PolarHBondContact O-N 3.01Å; N910-F922 PolarHBondContact N-O 2.83Å; N910-F922 VanDerWaalsContact N-O 3.12Å; N910-L985 WeakPolarHBondContact OD1-CD2 3.33Å
911	I	94.4	Very high	88.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	109.7	164.4	-56.3	173.3	0	0	0	106.6	I850 V855 Y857 I908 K909 F922 L924 F982	I850-I911 HydrophobicContact CG1-CD1 4.33Å; V855-I911 HydrophobicContact CG1-CG2 3.6Å; Y857-I911 HydrophobicContact CD1-CG1 4.26Å; Y857-I911 HydrophobicContact CE1-CG1 4.14Å; Y857-I911 HydrophobicContact CE1-CG2 4.16Å; I908-I911 HydrophobicContact CB-CD1 4.17Å; I908-I911 HydrophobicContact CB-CG1 4.44Å; I908-I911 HydrophobicContact CG2-CD1 3.94Å; I908-I911 HydrophobicContact CG2-CG1 3.69Å; K909-I911 VanDerWaalsContact C-N 3.33Å; K909-I911 PolarHBondContact O-N 2.97Å; I911-F922 HydrophobicContact CB-CB 4.12Å; I911-F922 PolarHBondContact N-O 3.12Å; I911-F922 WeakPolarHBondContact O-CB 3.37Å; I911-F922 PolarHBondContact O-N 2.85Å; I911-L924 HydrophobicContact CD1-CB 3.97Å; I911-F982 HydrophobicContact CD1-CE2 3.96Å
912	L	91.9	Very high	88.6	Confident	19 Å²	19	42.1 Å²	42.1	10%	0.099	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.3	-171.1	-54.3	-178.6	0	0	0	110.5	Q856 R858 N910 K919 P921	Q856-L912 HydrophobicContact CB-CB 4.33Å; Q856-L912 PolarHBondContact N-O 3.47Å; Q856-L912 PolarHBondContact O-N 2.84Å; R858-L912 HydrophobicContact CB-CD1 4.01Å; R858-L912 HydrophobicContact CB-CG 4.39Å; N910-L912 WeakPolarHBondContact O-CG 3.33Å; N910-L912 PolarHBondContact O-N 3.01Å; L912-K919 HydrophobicContact CB-CB 4.29Å; L912-K919 HydrophobicContact CB-CD 4.2Å; L912-K919 HydrophobicContact CD1-CB 4.47Å; L912-K919 HydrophobicContact CD1-CD 3.6Å; L912-K919 HydrophobicContact CD2-CB 4.41Å; L912-K919 HydrophobicContact CG-CD 4.43Å; L912-P921 HydrophobicContact CD2-CB 4.14Å
913	L	86.8	Confident	88.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.9	168.4	-56.7	-177.3	0	0	0	110.4	H748 I753 I755 V855 W915 I920 F922	H748-L913 HydrophobicContact CB-CD1 4.44Å; I753-L913 HydrophobicContact CD1-CB 4.09Å; I753-L913 HydrophobicContact CG2-CD2 4.48Å; I755-L913 HydrophobicContact CD1-CD1 3.55Å; I755-L913 HydrophobicContact CD1-CD2 3.5Å; I755-L913 HydrophobicContact CD1-CG 4.1Å; I755-L913 HydrophobicContact CG1-CD2 3.95Å; V855-L913 HydrophobicContact CG2-CD2 3.93Å; L913-W915 PolarHBondContact O-N 3.06Å; L913-I920 PolarHBondContact N-O 2.88Å; L913-I920 VanDerWaalsContact N-O 3.15Å; L913-I920 PolarHBondContact O-N 2.81Å; L913-F922 HydrophobicContact CB-CD2 4.47Å; L913-F922 HydrophobicContact CB-CE2 4.3Å; L913-F922 HydrophobicContact CD1-CD2 3.61Å; L913-F922 HydrophobicContact CD1-CE1 4.18Å; L913-F922 HydrophobicContact CD1-CE2 3.18Å; L913-F922 HydrophobicContact CD1-CG 4.29Å; L913-F922 HydrophobicContact CD1-CZ 3.52Å; L913-F922 HydrophobicContact CG-CD2 3.63Å; L913-F922 HydrophobicContact CG-CE2 3.67Å; L913-F922 HydrophobicContact CG-CG 4.4Å; L913-F922 HydrophobicContact CG-CZ 4.45Å
914	K	77.8	Confident	88.5	Confident	120 Å²	120	42 Å²	42	52%	0.522	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	109.9	178.5	-173.2	-178.3	178.2	-174.7	0	111	I753 D854	I753-K914 WeakPolarHBondContact CD1-O 3.49Å; D854-K914 PolarHBondContact O-N 2.72Å
915	W	67.7	Low	88.5	Confident	61 Å²	61	42 Å²	42	23%	0.231	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	119.6	178.7	176.5	67.4	0	0	0	112.3	Q750 S751 I753 L913 N917 K918 I920	Q750-W915 HydrophobicContact CG-CH2 4.11Å; Q750-W915 HydrophobicContact CG-CZ2 4.42Å; S751-W915 VanDerWaalsContact CB-CD1 3.47Å; S751-W915 VanDerWaalsContact CB-CG 3.47Å; I753-W915 HydrophobicContact CD1-CB 3.97Å; L913-W915 PolarHBondContact O-N 3.06Å; W915-N917 VanDerWaalsContact C-N 3.26Å; W915-N917 PolarHBondContact O-N 3.1Å; W915-N917 VanDerWaalsContact O-N 3.11Å; W915-K918 HydrophobicContact CE3-CB 4.45Å; W915-K918 HydrophobicContact CZ3-CD 4.43Å; W915-K918 PolarHBondContact N-O 3.28Å; W915-K918 CarbonylContact O-C 3.55Å; W915-K918 WeakPolarHBondContact O-CA 3.37Å; W915-K918 WeakPolarHBondContact O-CB 3.18Å; W915-K918 PolarHBondContact O-N 3.21Å; W915-I920 HydrophobicContact CE3-CD1 4.01Å; W915-I920 HydrophobicContact CZ3-CD1 4.5Å
916	L	67.4	Low	88.5	Confident	134 Å²	134	41.8 Å²	41.8	70%	0.702	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.7	44.4	176.2	-62.9	176	0	0	0	114.1	K918	L916-K918 PolarHBondContact O-N 3.29Å; L916-K918 VanDerWaalsContact O-N 3.07Å
917	N	69.2	Low	88.5	Confident	162 Å²	162	41.8 Å²	41.8	87%	0.866	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	1.8	-173.5	-60.5	-25.6	0	0	0	116.4	W915	W915-N917 VanDerWaalsContact C-N 3.26Å; W915-N917 PolarHBondContact O-N 3.1Å; W915-N917 VanDerWaalsContact O-N 3.11Å
918	K	76	Confident	88.5	Confident	140 Å²	140	41.7 Å²	41.7	61%	0.609	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	144.9	166.7	-63.3	-176.3	178.9	-177.6	0	109.6	W915 L916	W915-K918 HydrophobicContact CE3-CB 4.45Å; W915-K918 HydrophobicContact CZ3-CD 4.43Å; W915-K918 PolarHBondContact N-O 3.28Å; W915-K918 CarbonylContact O-C 3.55Å; W915-K918 WeakPolarHBondContact O-CA 3.37Å; W915-K918 WeakPolarHBondContact O-CB 3.18Å; W915-K918 PolarHBondContact O-N 3.21Å; L916-K918 PolarHBondContact O-N 3.29Å; L916-K918 VanDerWaalsContact O-N 3.07Å
919	K	78.4	Confident	88.5	Confident	117 Å²	117	42.2 Å²	42.2	51%	0.509	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	109.5	171.8	-62.4	-165	-173.4	-163.5	0	107.6	L912	L912-K919 HydrophobicContact CB-CB 4.29Å; L912-K919 HydrophobicContact CB-CD 4.2Å; L912-K919 HydrophobicContact CD1-CB 4.47Å; L912-K919 HydrophobicContact CD1-CD 3.6Å; L912-K919 HydrophobicContact CD2-CB 4.41Å; L912-K919 HydrophobicContact CG-CD 4.43Å
920	I	85.9	Confident	88.6	Confident	20 Å²	20	40.9 Å²	40.9	10%	0.103	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.3	174.6	-55.1	175.6	0	0	0	106.8	L913 W915 F922 E984	L913-I920 PolarHBondContact N-O 2.88Å; L913-I920 VanDerWaalsContact N-O 3.15Å; L913-I920 PolarHBondContact O-N 2.81Å; W915-I920 HydrophobicContact CE3-CD1 4.01Å; W915-I920 HydrophobicContact CZ3-CD1 4.5Å; I920-F922 HydrophobicContact CB-CD2 4.46Å; I920-F922 HydrophobicContact CB-CE2 3.84Å; I920-F922 HydrophobicContact CG2-CD2 4.13Å; I920-F922 HydrophobicContact CG2-CE2 3.46Å; I920-F922 VanDerWaalsContact CG2-CE2 3.46Å; I920-F922 HydrophobicContact CG2-CZ 4.19Å; I920-F922 WeakPolarHBondContact O-CD2 3.31Å; I920-E984 HydrophobicContact CG2-CG 4.19Å
921	P	92.6	Very high	88.8	Confident	51 Å²	51	40.1 Å²	40.1	33%	0.331	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.1	178.3	32.5	-33	0	0	0	110.8	L912 L985	L912-P921 HydrophobicContact CD2-CB 4.14Å; P921-L985 HydrophobicContact CB-CB 4.05Å; P921-L985 HydrophobicContact CB-CD2 4.23Å; P921-L985 HydrophobicContact CG-CB 4.28Å; P921-L985 WeakPolarHBondContact O-CB 3.48Å; P921-L985 PolarHBondContact O-N 2.96Å
922	F	95.1	Very high	89.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157	174.4	-76.1	-107.3	0	0	0	110.5	M727 H748 N910 I911 L913 I920 F982 D983 E984	M727-F922 HydrophobicContact SD-CE1 3.94Å; H748-F922 HydrophobicContact CB-CZ 4.29Å; H748-F922 AromaticContact CD2-CZ 3.7Å; H748-F922 AromaticContact CG-CZ 3.77Å; H748-F922 AromaticContact NE2-CZ 3.99Å; N910-F922 PolarHBondContact N-O 2.83Å; N910-F922 VanDerWaalsContact N-O 3.12Å; I911-F922 HydrophobicContact CB-CB 4.12Å; I911-F922 PolarHBondContact N-O 3.12Å; I911-F922 WeakPolarHBondContact O-CB 3.37Å; I911-F922 PolarHBondContact O-N 2.85Å; L913-F922 HydrophobicContact CB-CD2 4.47Å; L913-F922 HydrophobicContact CB-CE2 4.3Å; L913-F922 HydrophobicContact CD1-CD2 3.61Å; L913-F922 HydrophobicContact CD1-CE1 4.18Å; L913-F922 HydrophobicContact CD1-CE2 3.18Å; L913-F922 HydrophobicContact CD1-CG 4.29Å; L913-F922 HydrophobicContact CD1-CZ 3.52Å; L913-F922 HydrophobicContact CG-CD2 3.63Å; L913-F922 HydrophobicContact CG-CE2 3.67Å; L913-F922 HydrophobicContact CG-CG 4.4Å; L913-F922 HydrophobicContact CG-CZ 4.45Å; I920-F922 HydrophobicContact CB-CD2 4.46Å; I920-F922 HydrophobicContact CB-CE2 3.84Å; I920-F922 HydrophobicContact CG2-CD2 4.13Å; I920-F922 HydrophobicContact CG2-CE2 3.46Å; I920-F922 VanDerWaalsContact CG2-CE2 3.46Å; I920-F922 HydrophobicContact CG2-CZ 4.19Å; I920-F922 WeakPolarHBondContact O-CD2 3.31Å; F922-F982 HydrophobicContact CB-CE2 4.26Å; F922-F982 HydrophobicContact CB-CZ 3.95Å; F922-F982 HydrophobicContact CD1-CD1 4.36Å; F922-F982 AromaticContact CD1-CE1 3.64Å; F922-F982 HydrophobicContact CD1-CE1 3.64Å; F922-F982 AromaticContact CD1-CZ 3.85Å; F922-F982 HydrophobicContact CD1-CZ 3.85Å; F922-F982 HydrophobicContact CE1-CE1 4.29Å; F922-F982 HydrophobicContact CG-CE1 4.36Å; F922-F982 HydrophobicContact CG-CZ 4.12Å; F922-D983 CarbonylContact C-O 3.58Å; F922-D983 VanDerWaalsContact CA-O 3.22Å; F922-D983 WeakPolarHBondContact CA-O 3.27Å; F922-D983 WeakPolarHBondContact CB-O 3.46Å; F922-D983 WeakPolarHBondContact CD1-O 3.49Å; F922-E984 HydrophobicContact CE1-CG 4.17Å; F922-E984 HydrophobicContact CE2-CG 4.47Å; F922-E984 HydrophobicContact CZ-CG 3.95Å
923	G	96.1	Very high	89.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.8	170.4	0	0	0	0	0	111.6	I908 F982 D983	I908-G923 CarbonylContact O-C 3.49Å; I908-G923 VanDerWaalsContact O-CA 3.31Å; I908-G923 WeakPolarHBondContact O-CA 3.36Å; G923-F982 WeakPolarHBondContact O-CA 3.4Å; G923-D983 PolarHBondContact N-O 2.9Å; G923-D983 PolarHBondContact O-N 3.35Å
924	L	97.8	Very high	89.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.4	163.1	175	64.8	0	0	0	107.7	L757 I850 M907 I908 I911 I926 L942 I980 R981 F982	L757-L924 HydrophobicContact CD1-CD1 4.41Å; L757-L924 HydrophobicContact CD1-CD2 4.46Å; I850-L924 HydrophobicContact CD1-CD2 4.24Å; I850-L924 HydrophobicContact CG1-CD2 3.98Å; M907-L924 CarbonylContact C-O 3.43Å; M907-L924 WeakPolarHBondContact CA-O 3.32Å; M907-L924 WeakPolarHBondContact CB-O 3.44Å; I908-L924 PolarHBondContact N-O 2.93Å; I908-L924 PolarHBondContact O-N 2.89Å; I911-L924 HydrophobicContact CD1-CB 3.97Å; L924-I926 HydrophobicContact CD1-CD1 3.96Å; L924-I926 HydrophobicContact CG-CD1 4.21Å; L924-L942 HydrophobicContact CD2-CD1 3.92Å; L924-L942 HydrophobicContact CD2-CG 4.24Å; L924-L942 HydrophobicContact CG-CD1 4.08Å; L924-I980 HydrophobicContact CD1-CG2 4.03Å; L924-R981 CarbonylContact C-O 3.47Å; L924-R981 WeakPolarHBondContact CA-O 3.49Å; L924-F982 HydrophobicContact CB-CD2 4.08Å; L924-F982 HydrophobicContact CD1-CB 4.21Å; L924-F982 HydrophobicContact CD1-CD2 4.25Å
925	A	98.4	Very high	90.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.7	176.1	0	0	0	0	0	110.6	M907 Y927 I980 R981 I988	M907-A925 HydrophobicContact CB-CB 4.35Å; M907-A925 HydrophobicContact CG-CB 3.79Å; M907-A925 HydrophobicContact SD-CB 3.8Å; A925-Y927 HydrophobicContact CB-CE2 3.79Å; A925-I980 WeakPolarHBondContact O-CA 3.37Å; A925-R981 PolarHBondContact N-O 2.84Å; A925-R981 PolarHBondContact O-N 3.18Å; A925-I988 HydrophobicContact CB-CG2 4.05Å
926	I	98.8	Very high	92.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.7	173.2	-44.1	-51.7	0	0	0	107.7	Y848 R905 I906 L924 L942 L944 H978 K979 I980	Y848-I926 HydrophobicContact CD1-CD1 4.48Å; Y848-I926 HydrophobicContact CD2-CD1 4.05Å; Y848-I926 HydrophobicContact CD2-CG1 3.96Å; Y848-I926 HydrophobicContact CE2-CD1 4.37Å; Y848-I926 HydrophobicContact CE2-CG1 4.25Å; Y848-I926 HydrophobicContact CE2-CG2 4.02Å; Y848-I926 HydrophobicContact CG-CD1 4.09Å; Y848-I926 HydrophobicContact CG-CG1 4.46Å; R905-I926 CarbonylContact C-O 3.59Å; R905-I926 WeakPolarHBondContact CA-O 3.46Å; R905-I926 WeakPolarHBondContact CB-O 3.42Å; I906-I926 HydrophobicContact CG2-CB 3.87Å; I906-I926 HydrophobicContact CG2-CG1 4.23Å; I906-I926 PolarHBondContact N-O 3.46Å; I906-I926 PolarHBondContact O-N 2.96Å; L924-I926 HydrophobicContact CD1-CD1 3.96Å; L924-I926 HydrophobicContact CG-CD1 4.21Å; I926-L942 HydrophobicContact CG1-CD1 3.86Å; I926-L944 HydrophobicContact CB-CD1 4.35Å; I926-L944 HydrophobicContact CG1-CD1 4.37Å; I926-L944 HydrophobicContact CG2-CD1 4.05Å; I926-H978 HydrophobicContact CG2-CB 3.88Å; I926-K979 WeakPolarHBondContact CA-O 3.3Å; I926-I980 HydrophobicContact CD1-CB 4.19Å; I926-I980 HydrophobicContact CD1-CD1 4.46Å; I926-I980 HydrophobicContact CD1-CG1 3.95Å; I926-I980 HydrophobicContact CD1-CG2 3.66Å
927	Y	98.7	Very high	93.8	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.7	176.3	-53.1	-96	0	0	0	109.6	N904 R905 A925 H978 K979 R981 D992 T995 A996 M999	N904-Y927 CarbonylContact O-C 3.52Å; N904-Y927 VanDerWaalsContact O-CA 3.24Å; N904-Y927 WeakPolarHBondContact O-CA 3.26Å; R905-Y927 HydrophobicContact CB-CD1 3.74Å; R905-Y927 HydrophobicContact CB-CE1 4.14Å; R905-Y927 HydrophobicContact CB-CG 4.39Å; A925-Y927 HydrophobicContact CB-CE2 3.79Å; Y927-H978 CarbonylContact O-C 3.09Å; Y927-H978 VanDerWaalsContact O-CA 3.23Å; Y927-H978 WeakPolarHBondContact O-CA 3.08Å; Y927-K979 HydrophobicContact CD2-CB 4.48Å; Y927-K979 PolarHBondContact N-O 2.93Å; Y927-K979 PolarHBondContact O-N 2.56Å; Y927-R981 HydrophobicContact CE2-CB 4.41Å; Y927-R981 HydrophobicContact CE2-CG 3.96Å; Y927-D992 WeakPolarHBondContact CE1-O 3.34Å; Y927-D992 WeakPolarHBondContact CE1-OD1 3.5Å; Y927-D992 WeakPolarHBondContact OH-CA 3.35Å; Y927-D992 PolarHBondContact OH-OD1 3.01Å; Y927-T995 HydrophobicContact CD1-CG2 4.09Å; Y927-T995 HydrophobicContact CD2-CG2 3.71Å; Y927-T995 HydrophobicContact CE1-CG2 3.96Å; Y927-T995 HydrophobicContact CE2-CG2 3.59Å; Y927-T995 HydrophobicContact CG-CG2 3.98Å; Y927-A996 HydrophobicContact CD1-CB 4.25Å; Y927-A996 HydrophobicContact CE1-CB 4.27Å; Y927-M999 HydrophobicContact CG-CG 4.46Å
928	T	98.6	Very high	95.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.9	-174.1	63	0	0	0	0	111.2	I902 N904 R930 L944	I902-T928 HydrophobicContact CG2-CG2 4.08Å; N904-T928 WeakPolarHBondContact CA-OG1 3.31Å; N904-T928 PolarHBondContact O-N 2.86Å; T928-R930 VanDerWaalsContact C-N 3.25Å; T928-R930 VanDerWaalsContact CB-O 3.27Å; T928-R930 WeakPolarHBondContact CB-O 3.37Å; T928-R930 PolarHBondContact O-N 2.76Å; T928-R930 PolarHBondContact OG1-O 2.78Å; T928-L944 HydrophobicContact CG2-CD2 3.46Å; T928-L944 VanDerWaalsContact CG2-CD2 3.46Å
929	D	97.8	Very high	96.1	Very high	14 Å²	14	17 Å²	17	8%	0.075	9%	0.088	C	C	.	.	S	Bend	trans	-78.3	-9.4	175.4	65.7	-1.9	0	0	0	113.6	Y397 G976 T977 M999	Y397-D929 HydrophobicContact CD2-CB 4.33Å; Y397-D929 HydrophobicContact CE2-CB 4.17Å; D929-G976 WeakPolarHBondContact OD2-CA 3.34Å; D929-T977 PolarHBondContact N-O 2.76Å; D929-T977 PolarHBondContact OD2-N 2.7Å; D929-T977 PolarHBondContact OD2-OG1 2.9Å; D929-T977 VanDerWaalsContact OD2-OG1 3.07Å; D929-M999 HydrophobicContact CB-CE 4.43Å
930	R	98	Very high	96.9	Very high	1 Å²	1	11.5 Å²	11.5	0%	0.004	6%	0.064	C	C	.	.	S	Bend	trans	-157.5	168.8	-179.8	70.4	-161.1	76.4	-168.7	1.9	110.9	P393 K396 Y397 T928 Q932 R975	P393-R930 WeakPolarHBondContact O-CD 3.4Å; P393-R930 PolarHBondContact O-NH1 2.88Å; K396-R930 HydrophobicContact CB-CB 4.29Å; Y397-R930 VanDerWaalsContact CD2-CZ 3.42Å; Y397-R930 VanDerWaalsContact CG-NH2 3.26Å; T928-R930 VanDerWaalsContact C-N 3.25Å; T928-R930 VanDerWaalsContact CB-O 3.27Å; T928-R930 WeakPolarHBondContact CB-O 3.37Å; T928-R930 PolarHBondContact O-N 2.76Å; T928-R930 PolarHBondContact OG1-O 2.78Å; R930-Q932 HydrophobicContact CG-CG 4.47Å; R930-R975 PolarHBondContact NH1-O 2.67Å; R930-R975 PolarHBondContact NH2-O 3.12Å
931	S	98.6	Very high	97.4	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.014	6%	0.062	C	C	.	.			trans	-70.5	136.8	178.8	-50.2	0	0	0	0	111.7	T147 Y389 R400 I902	T147-S931 PolarHBondContact O-OG 3.45Å; Y389-S931 CarbonylContact O-C 3.6Å; R400-S931 PolarHBondContact NH2-OG 3.04Å; I902-S931 CarbonylContact O-C 3.52Å; I902-S931 VanDerWaalsContact O-CA 3.26Å; I902-S931 WeakPolarHBondContact O-CA 3.45Å
932	Q	98.8	Very high	97.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	167.5	-177.1	-70.7	177.5	-16.9	0	0	110.7	Y389 I902 R930 M945 H978	Y389-Q932 CarbonylContact O-C 3.58Å; Y389-Q932 WeakPolarHBondContact O-CA 3.38Å; Y389-Q932 PolarHBondContact O-N 3.04Å; I902-Q932 WeakPolarHBondContact CA-O 3.46Å; I902-Q932 WeakPolarHBondContact CB-O 3.49Å; I902-Q932 PolarHBondContact N-O 3.07Å; I902-Q932 PolarHBondContact O-N 3.15Å; R930-Q932 HydrophobicContact CG-CG 4.47Å; Q932-M945 WeakPolarHBondContact CB-O 3.49Å; Q932-M945 WeakPolarHBondContact CG-O 3.47Å; Q932-H978 PolarHBondContact NE2-NE2 2.92Å; Q932-H978 PolarHBondContact OE1-NE2 3.03Å
933	G	98.7	Very high	97.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.9	165.1	0	0	0	0	0	110.9	T390 L944 M945	T390-G933 PolarHBondContact OG1-N 3.31Å; G933-L944 CarbonylContact O-C 3.48Å; G933-L944 WeakPolarHBondContact O-CA 3.27Å; G933-M945 PolarHBondContact O-N 2.8Å
934	G	98.7	Very high	98	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	160.2	-179.7	0	0	0	0	0	114.6	Y899 Y900 E943	Y899-G934 WeakPolarHBondContact CA-O 3.44Å; Y900-G934 PolarHBondContact N-O 3.02Å; Y900-G934 PolarHBondContact O-N 2.77Å; G934-E943 CarbonylContact C-O 3.6Å; G934-E943 WeakPolarHBondContact CA-O 3.29Å
935	T	98.6	Very high	98.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	169.9	-173.5	-169.9	0	0	0	0	113	N898 Y899 L937 L942 E943	N898-T935 WeakPolarHBondContact CB-OG1 3.33Å; N898-T935 WeakPolarHBondContact O-CB 3.23Å; N898-T935 PolarHBondContact O-OG1 3.16Å; Y899-T935 HydrophobicContact CD2-CG2 3.77Å; Y899-T935 HydrophobicContact CE1-CG2 4.44Å; Y899-T935 HydrophobicContact CE2-CG2 3.37Å; Y899-T935 HydrophobicContact CG-CG2 4.46Å; T935-L937 HydrophobicContact CG2-CD1 4.36Å; T935-L937 HydrophobicContact CG2-CD2 3.88Å; T935-L937 HydrophobicContact CG2-CG 3.7Å; T935-L942 WeakPolarHBondContact O-CA 3.4Å; T935-E943 HydrophobicContact CG2-CB 3.95Å; T935-E943 PolarHBondContact N-O 2.68Å; T935-E943 PolarHBondContact O-N 2.82Å
936	S	98.3	Very high	98.1	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.007	5%	0.047	C	C	.	.			trans	-124.9	93.2	162.9	-174.6	0	0	0	0	110.6	F863 R877 N938 Q941	F863-S936 VanDerWaalsContact CD1-CB 3.47Å; R877-S936 WeakPolarHBondContact CD-O 3.47Å; R877-S936 PolarHBondContact NH1-O 3.4Å; S936-N938 PolarHBondContact OG-O 2.83Å; S936-Q941 VanDerWaalsContact CA-O 3.26Å; S936-Q941 WeakPolarHBondContact CA-O 3.43Å; S936-Q941 WeakPolarHBondContact CB-O 3.49Å; S936-Q941 PolarHBondContact OG-O 2.85Å
937	L	97.3	Very high	98.1	Very high	13 Å²	13	9 Å²	9	7%	0.068	5%	0.048	C	C	.	.	S	Bend	trans	-77.2	-22.5	-178.5	-61.6	-177.9	0	0	0	113.5	Y764 R877 I895 N898 T935	Y764-L937 WeakPolarHBondContact OH-CD1 3.18Å; R877-L937 VanDerWaalsContact CD-O 3.3Å; R877-L937 WeakPolarHBondContact CD-O 3.19Å; R877-L937 PolarHBondContact NE-O 2.96Å; R877-L937 VanDerWaalsContact NH1-C 3.31Å; R877-L937 PolarHBondContact NH1-O 2.93Å; I895-L937 HydrophobicContact CG1-CD1 4.35Å; I895-L937 HydrophobicContact CG2-CD1 4.3Å; N898-L937 HydrophobicContact CB-CD2 4.33Å; T935-L937 HydrophobicContact CG2-CD1 4.36Å; T935-L937 HydrophobicContact CG2-CD2 3.88Å; T935-L937 HydrophobicContact CG2-CG 3.7Å
938	N	96.9	Very high	98	Very high	85 Å²	85	9.1 Å²	9.1	46%	0.455	5%	0.048	S	C	.	.	S	Bend	trans	-138.6	156.7	174.7	-62.5	-79.3	0	0	0	109.8	R877 S936 G940 Q941	R877-N938 VanDerWaalsContact NH1-C 3.31Å; R877-N938 VanDerWaalsContact NH1-CA 3.32Å; S936-N938 PolarHBondContact OG-O 2.83Å; N938-G940 PolarHBondContact O-N 2.95Å; N938-Q941 HydrophobicContact CB-CB 4.18Å; N938-Q941 PolarHBondContact ND2-OE1 2.96Å; N938-Q941 VanDerWaalsContact O-CB 3.29Å; N938-Q941 WeakPolarHBondContact O-CB 3.18Å; N938-Q941 PolarHBondContact O-N 3.35Å; N938-Q941 VanDerWaalsContact O-N 3.09Å
939	D	95.7	Very high	97.9	Very high	51 Å²	51	9.8 Å²	9.8	27%	0.273	5%	0.051	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	135.8	179.1	-59.9	-12	0	0	0	110.4	Y857 T860 G861 R877 Q941	Y857-D939 HydrophobicContact CD1-CB 4.49Å; Y857-D939 HydrophobicContact CD2-CB 3.49Å; Y857-D939 VanDerWaalsContact CD2-CB 3.49Å; Y857-D939 HydrophobicContact CE2-CB 3.66Å; Y857-D939 HydrophobicContact CG-CB 3.95Å; T860-D939 VanDerWaalsContact CB-OD2 3.3Å; T860-D939 WeakPolarHBondContact CB-OD2 3.47Å; T860-D939 WeakPolarHBondContact CG2-OD2 3.34Å; G861-D939 WeakPolarHBondContact CA-OD1 3.4Å; G861-D939 PolarHBondContact N-OD1 3.47Å; R877-D939 IonicContact CZ-OD1 3.86Å; R877-D939 IonicContact NH1-OD1 2.82Å; R877-D939 PolarHBondContact NH1-OD1 3.38Å; R877-D939 IonicContact NH2-OD1 3.43Å; R877-D939 PolarHBondContact NH2-OD1 2.86Å; D939-Q941 PolarHBondContact O-N 3.32Å
940	G	95.5	Very high	97.8	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.01	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	7.1	-173.6	0	0	0	0	0	115.5	T849 I850 Y857 N938	T849-G940 WeakPolarHBondContact CA-O 3.31Å; I850-G940 PolarHBondContact N-O 2.81Å; Y857-G940 VanDerWaalsContact CE1-CA 3.42Å; Y857-G940 VanDerWaalsContact CZ-CA 3.42Å; Y857-G940 WeakPolarHBondContact OH-CA 3.45Å; N938-G940 PolarHBondContact O-N 2.95Å
941	Q	97.3	Very high	97.7	Very high	14 Å²	14	11.3 Å²	11.3	7%	0.065	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.9	-179.7	-176.5	171.8	83.9	0	0	110.7	R847 Y848 T849 S936 N938 D939	R847-Q941 VanDerWaalsContact CD-NE2 3.27Å; R847-Q941 HydrophobicContact CG-CG 3.72Å; Y848-Q941 CarbonylContact O-C 3.47Å; Y848-Q941 VanDerWaalsContact O-CA 3.28Å; Y848-Q941 WeakPolarHBondContact O-CA 3.27Å; T849-Q941 PolarHBondContact OG1-NE2 2.94Å; S936-Q941 VanDerWaalsContact CA-O 3.26Å; S936-Q941 WeakPolarHBondContact CA-O 3.43Å; S936-Q941 WeakPolarHBondContact CB-O 3.49Å; S936-Q941 PolarHBondContact OG-O 2.85Å; N938-Q941 HydrophobicContact CB-CB 4.18Å; N938-Q941 PolarHBondContact ND2-OE1 2.96Å; N938-Q941 VanDerWaalsContact O-CB 3.29Å; N938-Q941 WeakPolarHBondContact O-CB 3.18Å; N938-Q941 PolarHBondContact O-N 3.35Å; N938-Q941 VanDerWaalsContact O-N 3.09Å; D939-Q941 PolarHBondContact O-N 3.32Å
942	L	98.7	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.9	164.6	-65.9	179.6	0	0	0	108.4	R847 Y848 F863 I906 I908 L924 I926 T935	R847-L942 CarbonylContact C-O 3.56Å; R847-L942 WeakPolarHBondContact CA-O 3.4Å; Y848-L942 PolarHBondContact N-O 2.89Å; Y848-L942 PolarHBondContact O-N 2.77Å; F863-L942 HydrophobicContact CB-CD2 4.42Å; I906-L942 HydrophobicContact CD1-CD2 3.74Å; I906-L942 HydrophobicContact CG1-CD1 4.35Å; I906-L942 HydrophobicContact CG1-CD2 3.83Å; I906-L942 HydrophobicContact CG2-CD1 4.3Å; I908-L942 HydrophobicContact CD1-CD2 3.85Å; I908-L942 HydrophobicContact CD1-CG 3.81Å; I908-L942 HydrophobicContact CG1-CD1 4.12Å; I908-L942 HydrophobicContact CG1-CD2 3.55Å; I908-L942 HydrophobicContact CG1-CG 3.79Å; L924-L942 HydrophobicContact CD2-CD1 3.92Å; L924-L942 HydrophobicContact CD2-CG 4.24Å; L924-L942 HydrophobicContact CG-CD1 4.08Å; I926-L942 HydrophobicContact CG1-CD1 3.86Å; T935-L942 WeakPolarHBondContact O-CA 3.4Å
943	E	98.6	Very high	97.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.7	176.9	180	174.6	95.4	0	0	108.8	Y764 V845 V846 R847 Y899 G934 T935	Y764-E943 WeakPolarHBondContact CE2-OE1 3.34Å; Y764-E943 PolarHBondContact OH-OE1 3.28Å; Y764-E943 VanDerWaalsContact OH-OE1 3.12Å; V845-E943 HydrophobicContact CB-CG 3.83Å; V845-E943 HydrophobicContact CG1-CG 4.35Å; V845-E943 HydrophobicContact CG2-CG 3.91Å; V846-E943 WeakPolarHBondContact O-CA 3.42Å; R847-E943 IonicContact CZ-OE2 3.28Å; R847-E943 IonicContact NE-OE2 3.37Å; R847-E943 PolarHBondContact NE-OE2 3.48Å; R847-E943 IonicContact NH2-OE2 3.6Å; R847-E943 PolarHBondContact NH2-OE2 3.47Å; Y899-E943 PolarHBondContact OH-OE1 3.07Å; G934-E943 CarbonylContact C-O 3.6Å; G934-E943 WeakPolarHBondContact CA-O 3.29Å; T935-E943 HydrophobicContact CG2-CB 3.95Å; T935-E943 PolarHBondContact N-O 2.68Å; T935-E943 PolarHBondContact O-N 2.82Å
944	L	98.9	Very high	97.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.3	176	-64.5	97.1	0	0	0	110	V845 V846 Y848 I902 I906 I926 T928 G933	V845-L944 CarbonylContact C-O 3.49Å; V845-L944 WeakPolarHBondContact CA-O 3.49Å; V845-L944 WeakPolarHBondContact CB-O 3.46Å; V846-L944 HydrophobicContact CG1-CB 4.35Å; V846-L944 PolarHBondContact N-O 3.25Å; V846-L944 PolarHBondContact O-N 3.14Å; Y848-L944 HydrophobicContact CD2-CD1 3.91Å; Y848-L944 HydrophobicContact CE2-CD1 3.74Å; I902-L944 HydrophobicContact CG2-CD2 4.19Å; I906-L944 HydrophobicContact CG2-CD1 3.94Å; I906-L944 HydrophobicContact CG2-CD2 3.88Å; I906-L944 HydrophobicContact CG2-CG 4.12Å; I926-L944 HydrophobicContact CB-CD1 4.35Å; I926-L944 HydrophobicContact CG1-CD1 4.37Å; I926-L944 HydrophobicContact CG2-CD1 4.05Å; T928-L944 HydrophobicContact CG2-CD2 3.46Å; T928-L944 VanDerWaalsContact CG2-CD2 3.46Å; G933-L944 CarbonylContact O-C 3.48Å; G933-L944 WeakPolarHBondContact O-CA 3.27Å
945	M	98.8	Very high	97	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	134.8	174.6	-172.3	178.5	-76	0	0	110.1	T390 F779 E843 V845 Y899 Q932 G933 R948	T390-M945 HydrophobicContact CG2-CB 4.28Å; T390-M945 HydrophobicContact CG2-CG 3.92Å; T390-M945 VanDerWaalsContact CG2-O 3.31Å; T390-M945 WeakPolarHBondContact CG2-O 3.42Å; T390-M945 WeakPolarHBondContact OG1-CB 3.17Å; T390-M945 PolarHBondContact OG1-O 3.35Å; F779-M945 HydrophobicContact CD1-CE 3.66Å; F779-M945 HydrophobicContact CD2-CE 3.71Å; F779-M945 HydrophobicContact CE1-CE 3.55Å; F779-M945 HydrophobicContact CE2-CE 3.59Å; F779-M945 HydrophobicContact CG-CE 3.75Å; F779-M945 HydrophobicContact CZ-CE 3.51Å; E843-M945 HydrophobicContact CB-CE 4.38Å; V845-M945 HydrophobicContact CG1-CB 4.08Å; V845-M945 HydrophobicContact CG1-CE 4.42Å; V845-M945 HydrophobicContact CG1-CG 4.24Å; Y899-M945 HydrophobicContact CE1-CB 4.04Å; Y899-M945 HydrophobicContact CE1-CE 3.92Å; Q932-M945 WeakPolarHBondContact CB-O 3.49Å; Q932-M945 WeakPolarHBondContact CG-O 3.47Å; G933-M945 PolarHBondContact O-N 2.8Å; M945-R948 HydrophobicContact CG-CG 4.13Å; M945-R948 WeakPolarHBondContact SD-CD 3.36Å; M945-R948 HydrophobicContact SD-CG 3.82Å
946	L	98.7	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-45.8	-166.3	-60.7	-176.3	0	0	0	113	T390 P393 L761 W830 I832 T844 V846 H978	T390-L946 VanDerWaalsContact CG2-C 3.46Å; T390-L946 WeakPolarHBondContact CG2-O 3.47Å; P393-L946 WeakPolarHBondContact CG-O 3.44Å; L761-L946 HydrophobicContact CD1-CD1 3.72Å; W830-L946 HydrophobicContact CB-CD1 3.88Å; W830-L946 HydrophobicContact CD2-CB 4.21Å; W830-L946 HydrophobicContact CD2-CD1 3.95Å; W830-L946 HydrophobicContact CD2-CD2 4.13Å; W830-L946 HydrophobicContact CD2-CG 4.33Å; W830-L946 HydrophobicContact CE3-CB 4.25Å; W830-L946 HydrophobicContact CG-CD1 3.65Å; W830-L946 HydrophobicContact CG-CD2 4.22Å; W830-L946 HydrophobicContact CG-CG 4.43Å; W830-L946 HydrophobicContact CH2-CB 4.49Å; W830-L946 HydrophobicContact CZ2-CB 4.46Å; W830-L946 HydrophobicContact CZ2-CD2 4.18Å; W830-L946 HydrophobicContact CZ3-CB 4.38Å; I832-L946 HydrophobicContact CD1-CB 3.45Å; I832-L946 VanDerWaalsContact CD1-CB 3.45Å; I832-L946 HydrophobicContact CD1-CD1 3.67Å; I832-L946 HydrophobicContact CD1-CG 4.23Å; T844-L946 PolarHBondContact O-N 2.79Å; V846-L946 HydrophobicContact CB-CD1 3.84Å; V846-L946 HydrophobicContact CB-CG 4.43Å; V846-L946 HydrophobicContact CG1-CD1 3.9Å; V846-L946 HydrophobicContact CG1-CD2 3.81Å; V846-L946 HydrophobicContact CG1-CG 4.08Å; L946-H978 VanDerWaalsContact CD2-CE1 3.45Å; L946-H978 WeakPolarHBondContact CD2-CE1 3.38Å
947	H	98.1	Very high	96.6	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.023	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	152.3	-179.8	-167	21.3	0	0	0	110.1	P393 I832 F835 T844 E964 V974	P393-H947 HydrophobicContact CG-CB 4.23Å; P393-H947 WeakPolarHBondContact CG-ND1 3.41Å; I832-H947 HydrophobicContact CB-CB 4.31Å; I832-H947 HydrophobicContact CD1-CB 4.29Å; I832-H947 HydrophobicContact CG2-CB 4.1Å; F835-H947 AromaticContact CE2-CD2 3.47Å; F835-H947 VanDerWaalsContact CE2-CD2 3.47Å; F835-H947 WeakPolarHBondContact CE2-CD2 3.28Å; F835-H947 AromaticContact CE2-CG 3.91Å; F835-H947 AromaticContact CE2-NE2 3.72Å; F835-H947 HydrophobicContact CZ-CB 4.32Å; T844-H947 PolarHBondContact N-O 2.94Å; H947-E964 IonicContact CE1-OE2 3.08Å; H947-V974 WeakPolarHBondContact NE2-CG2 3.16Å
948	R	97.6	Very high	96.5	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.011	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.4	-172.5	-47.5	-167.9	-41.5	144	-9.4	109.6	G387 T390 S391 G775 A776 I778 E843 M945 L962	G387-R948 VanDerWaalsContact O-CZ 3.26Å; G387-R948 PolarHBondContact O-NE 3.08Å; G387-R948 PolarHBondContact O-NH2 3Å; T390-R948 HydrophobicContact CG2-CG 4.43Å; S391-R948 PolarHBondContact OG-NH2 2.8Å; G775-R948 PolarHBondContact O-NH2 2.79Å; A776-R948 PolarHBondContact O-NH2 3.16Å; I778-R948 PolarHBondContact O-NH1 2.83Å; E843-R948 HydrophobicContact CB-CG 4.24Å; E843-R948 HydrophobicContact CG-CB 4.12Å; E843-R948 HydrophobicContact CG-CG 4.25Å; E843-R948 WeakPolarHBondContact OE1-CD 3.38Å; E843-R948 IonicContact OE1-CZ 3.73Å; E843-R948 IonicContact OE1-NE 2.61Å; E843-R948 IonicContact OE1-NH1 3.58Å; E843-R948 PolarHBondContact OE1-NH1 2.64Å; M945-R948 HydrophobicContact CG-CG 4.13Å; M945-R948 WeakPolarHBondContact SD-CD 3.36Å; M945-R948 HydrophobicContact SD-CG 3.82Å; R948-L962 HydrophobicContact CB-CD2 3.91Å
949	Q	96.8	Very high	96.4	Very high	14 Å²	14	25 Å²	25	7%	0.065	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.5	161.5	-179.4	-164.9	42.5	0	0	107.3	F835 G841 R842 L962 E963	F835-Q949 HydrophobicContact CB-CB 4.3Å; F835-Q949 HydrophobicContact CD2-CB 3.49Å; F835-Q949 VanDerWaalsContact CD2-CB 3.49Å; F835-Q949 HydrophobicContact CD2-CG 4.4Å; F835-Q949 HydrophobicContact CE2-CB 3.81Å; F835-Q949 HydrophobicContact CG-CB 3.87Å; F835-Q949 HydrophobicContact CZ-CB 4.45Å; G841-Q949 CarbonylContact C-O 3.51Å; G841-Q949 WeakPolarHBondContact CA-O 3.43Å; R842-Q949 PolarHBondContact N-O 2.03Å; R842-Q949 PolarHBondContact O-N 2.93Å; Q949-L962 WeakPolarHBondContact CA-O 3.44Å; Q949-E963 HydrophobicContact CG-CB 4.48Å; Q949-E963 HydrophobicContact CG-CG 4.39Å; Q949-E963 PolarHBondContact NE2-OE1 3.12Å
950	T	96.3	Very high	96.4	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.031	13%	0.132	C	C	.	.			trans	-106.2	153	171.9	75.8	0	0	0	0	109.4	N952 L962	T950-N952 PolarHBondContact OG1-O 3.11Å; T950-L962 HydrophobicContact CG2-CB 4.16Å; T950-L962 PolarHBondContact N-O 3.26Å; T950-L962 WeakPolarHBondContact OG1-CB 3.33Å; T950-L962 PolarHBondContact OG1-N 3.12Å
951	I	94.4	Very high	96.4	Very high	42 Å²	42	26.6 Å²	26.6	22%	0.215	15%	0.146	C	C	.	.	S	Bend	trans	-104	-15.1	179.1	62.4	169.6	0	0	0	112.6	T768 M839	T768-I951 HydrophobicContact CG2-CD1 3.45Å; T768-I951 VanDerWaalsContact CG2-CD1 3.45Å; T768-I951 HydrophobicContact CG2-CG1 3.45Å; T768-I951 VanDerWaalsContact CG2-CG1 3.45Å; M839-I951 WeakPolarHBondContact O-CD1 3.48Å
952	N	94.8	Very high	96.3	Very high	59 Å²	59	26 Å²	26	32%	0.316	14%	0.144	S	C	.	.	S	Bend	trans	-121.2	153.6	175.5	-71	23.2	0	0	0	109.2	T768 T950	T768-N952 PolarHBondContact O-ND2 3.16Å; T950-N952 PolarHBondContact OG1-O 3.11Å
953	D	95.5	Very high	96	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.102	16%	0.164	C	C	.	.			trans	-73.4	148.6	161.3	-176.9	78.9	0	0	0	109.2	N955 N959 E960	D953-N955 PolarHBondContact O-N 3.06Å; D953-N955 WeakPolarHBondContact OD2-CA 3.44Å; D953-N955 PolarHBondContact OD2-N 2.89Å; D953-N959 WeakPolarHBondContact OD1-CA 2.78Å; D953-N959 PolarHBondContact OD1-N 3.49Å; D953-E960 PolarHBondContact OD1-N 2.72Å; D953-E960 VanDerWaalsContact OD1-O 3.1Å
954	D	96.4	Very high	95.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.011	17%	0.168	C	C	.	.			trans	-84.2	4.8	177	48.9	17.1	0	0	0	113.5	Q772 S773 G775 A776 Y777 I778 L956	Q772-D954 PolarHBondContact NE2-O 3.27Å; S773-D954 WeakPolarHBondContact O-CB 3.48Å; G775-D954 VanDerWaalsContact C-OD2 3.27Å; G775-D954 WeakPolarHBondContact CA-OD2 3.31Å; A776-D954 PolarHBondContact N-OD2 3.19Å; A776-D954 VanDerWaalsContact N-OD2 3.16Å; Y777-D954 WeakPolarHBondContact CA-OD2 3.44Å; Y777-D954 WeakPolarHBondContact CB-OD2 3.42Å; Y777-D954 PolarHBondContact N-OD2 2.92Å; I778-D954 HydrophobicContact CB-CB 4.15Å; I778-D954 HydrophobicContact CG1-CB 3.99Å; I778-D954 PolarHBondContact N-OD2 3.33Å; D954-L956 VanDerWaalsContact C-N 3.33Å; D954-L956 HydrophobicContact CB-CD1 4.28Å; D954-L956 HydrophobicContact CB-CG 4.44Å
955	N	94.6	Very high	95.3	Very high	123 Å²	123	35.2 Å²	35.2	66%	0.658	19%	0.189	S	C	*	.	S	Bend	trans	61.2	35.1	-177.9	-57.4	-62.2	0	0	0	113.6	D953	D953-N955 PolarHBondContact O-N 3.06Å; D953-N955 WeakPolarHBondContact OD2-CA 3.44Å; D953-N955 PolarHBondContact OD2-N 2.89Å
956	L	94.6	Very high	94.7	Very high	50 Å²	50	35.6 Å²	35.6	26%	0.262	19%	0.193	S	C	.	.	S	Bend	trans	-112	17.5	-178.7	-62.5	174.1	0	0	0	113.6	W385 Y777 I778 D954	W385-L956 HydrophobicContact CH2-CB 4.17Å; W385-L956 HydrophobicContact CH2-CD1 3.76Å; W385-L956 HydrophobicContact CH2-CD2 4.31Å; W385-L956 HydrophobicContact CH2-CG 4.3Å; W385-L956 HydrophobicContact CZ2-CD1 3.53Å; W385-L956 HydrophobicContact CZ2-CD2 3.92Å; W385-L956 HydrophobicContact CZ2-CG 4.21Å; W385-L956 HydrophobicContact CZ3-CD1 4.42Å; Y777-L956 HydrophobicContact CD2-CB 3.66Å; Y777-L956 HydrophobicContact CD2-CD1 4.09Å; Y777-L956 HydrophobicContact CE2-CB 3.86Å; Y777-L956 HydrophobicContact CG-CD1 4.31Å; I778-L956 HydrophobicContact CD1-CD1 3.8Å; I778-L956 HydrophobicContact CG1-CD1 3.56Å; D954-L956 VanDerWaalsContact C-N 3.33Å; D954-L956 HydrophobicContact CB-CD1 4.28Å; D954-L956 HydrophobicContact CB-CG 4.44Å
957	G	93.7	Very high	94.2	Very high	20 Å²	20	41.8 Å²	41.8	21%	0.206	23%	0.226	C	C	.	.	S	Bend	trans	119.8	-25.8	163.3	0	0	0	0	0	115.7	L63 N959	L63-G957 WeakPolarHBondContact CD2-O 3.44Å; G957-N959 VanDerWaalsContact C-N 3.28Å; G957-N959 PolarHBondContact O-N 2.78Å; G957-N959 PolarHBondContact O-ND2 2.85Å
958	V	95.6	Very high	93.8	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.237	C	C	.	.			trans	-65.8	-34	-179.9	-174.5	0	0	0	0	110.9	T451 K453 A776 Y777 E960	T451-V958 WeakPolarHBondContact O-CG2 3.44Å; K453-V958 WeakPolarHBondContact CE-O 3.48Å; K453-V958 HydrophobicContact CG-CG1 4.13Å; A776-V958 HydrophobicContact CB-CG2 4.4Å; Y777-V958 HydrophobicContact CE2-CG2 3.54Å; Y777-V958 WeakPolarHBondContact OH-CG2 3.48Å; V958-E960 VanDerWaalsContact C-N 3.25Å; V958-E960 HydrophobicContact CB-CG 4.45Å; V958-E960 HydrophobicContact CG1-CG 3.36Å; V958-E960 PolarHBondContact O-N 3.19Å
959	N	94.5	Very high	93.5	Very high	115 Å²	115	49.5 Å²	49.5	62%	0.615	27%	0.267	S	S	*	.			trans	59.7	34.9	178.5	-62.5	-68.9	0	0	0	112.5	D953 G957	D953-N959 WeakPolarHBondContact OD1-CA 2.78Å; D953-N959 PolarHBondContact OD1-N 3.49Å; G957-N959 VanDerWaalsContact C-N 3.28Å; G957-N959 PolarHBondContact O-N 2.78Å; G957-N959 PolarHBondContact O-ND2 2.85Å
960	E	95	Very high	93.2	Very high	39 Å²	39	55 Å²	55	18%	0.182	29%	0.291	C	S	.	.	S	Bend	trans	-150.3	143.1	171.4	57.8	175.6	-133.4	0	0	110.2	R392 K453 Q454 D953 V958	R392-E960 IonicContact NH2-OE1 3.56Å; R392-E960 PolarHBondContact NH2-OE1 3.22Å; K453-E960 VanDerWaalsContact CA-CD 3.49Å; K453-E960 VanDerWaalsContact CA-OE1 3.26Å; K453-E960 WeakPolarHBondContact CA-OE1 3.28Å; K453-E960 WeakPolarHBondContact CA-OE2 3.32Å; K453-E960 WeakPolarHBondContact CB-OE2 3.48Å; K453-E960 HydrophobicContact CG-CG 4.41Å; K453-E960 WeakPolarHBondContact CG-OE2 3.21Å; Q454-E960 PolarHBondContact N-OE1 2.76Å; Q454-E960 PolarHBondContact N-OE2 3.34Å; Q454-E960 VanDerWaalsContact N-OE2 3.12Å; D953-E960 PolarHBondContact OD1-N 2.72Å; D953-E960 VanDerWaalsContact OD1-O 3.1Å; V958-E960 VanDerWaalsContact C-N 3.25Å; V958-E960 HydrophobicContact CB-CG 4.45Å; V958-E960 HydrophobicContact CG1-CG 3.36Å; V958-E960 PolarHBondContact O-N 3.19Å
961	P	95.2	Very high	92.9	Very high	47 Å²	47	55 Å²	55	31%	0.305	29%	0.292	S	S	.	.			trans	-65.1	151.8	168.9	29.4	-34.3	0	0	0	110.7	E963	P961-E963 VanDerWaalsContact C-N 3.32Å; P961-E963 PolarHBondContact O-N 3.23Å
962	L	96.3	Very high	92.9	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	29%	0.29	C	S	.	.	S	Bend	trans	-74.9	87.2	173.4	-178.5	70.5	0	0	0	109.3	S391 R392 R948 Q949 T950	S391-L962 WeakPolarHBondContact OG-CD2 3.22Å; R392-L962 HydrophobicContact CG-CD1 3.93Å; R948-L962 HydrophobicContact CB-CD2 3.91Å; Q949-L962 WeakPolarHBondContact CA-O 3.44Å; T950-L962 HydrophobicContact CG2-CB 4.16Å; T950-L962 PolarHBondContact N-O 3.26Å; T950-L962 WeakPolarHBondContact OG1-CB 3.33Å; T950-L962 PolarHBondContact OG1-N 3.12Å
963	E	92.1	Very high	93	Very high	88 Å²	88	52.4 Å²	52.4	41%	0.411	28%	0.278	S	S	.	.			trans	-134.4	97.1	176.4	-177.2	167.7	-143.7	0	0	110.4	Q949 P961 L965	Q949-E963 HydrophobicContact CG-CB 4.48Å; Q949-E963 HydrophobicContact CG-CG 4.39Å; Q949-E963 PolarHBondContact NE2-OE1 3.12Å; P961-E963 VanDerWaalsContact C-N 3.32Å; P961-E963 PolarHBondContact O-N 3.23Å; E963-L965 HydrophobicContact CG-CD2 4.43Å
964	E	92.4	Very high	93	Very high	18 Å²	18	51.7 Å²	51.7	8%	0.084	27%	0.274	C	S	.	.			trans	-81.6	126.4	178	-64	179.4	107.4	0	0	110.4	R392 H947 G971 L972	R392-E964 WeakPolarHBondContact CA-OE1 3.46Å; R392-E964 WeakPolarHBondContact CA-OE2 3.37Å; R392-E964 VanDerWaalsContact CB-OE1 3.31Å; R392-E964 WeakPolarHBondContact CB-OE1 3.48Å; R392-E964 HydrophobicContact CG-CG 4.28Å; R392-E964 WeakPolarHBondContact CG-OE1 3.43Å; H947-E964 IonicContact CE1-OE2 3.08Å; E964-G971 CarbonylContact O-C 3.54Å; E964-G971 VanDerWaalsContact O-CA 3.31Å; E964-G971 WeakPolarHBondContact O-CA 3.46Å; E964-L972 HydrophobicContact CB-CB 3.85Å; E964-L972 HydrophobicContact CB-CD2 4.07Å; E964-L972 PolarHBondContact O-N 2.93Å
965	L	89.9	Confident	93	Very high	87 Å²	87	52.2 Å²	52.2	46%	0.455	28%	0.276	S	S	.	.			trans	-91.1	131.7	176.8	-58.3	-179.7	0	0	0	110.6	E963	E963-L965 HydrophobicContact CG-CD2 4.43Å
966	G	86.9	Confident	93.2	Very high	8 Å²	8	46.3 Å²	46.3	8%	0.082	25%	0.245	C	C	.	.			trans	-81.7	-178.9	166.7	0	0	0	0	0	112	D968 N969	G966-D968 PolarHBondContact O-N 2.77Å; G966-N969 PolarHBondContact O-N 2.91Å
967	L	87.5	Confident	93.3	Very high	130 Å²	130	45.2 Å²	45.2	68%	0.681	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27	-178.3	-74.2	-177.9	0	0	0	115	P608 E609	P608-L967 HydrophobicContact CB-CB 4.41Å; E609-L967 HydrophobicContact CB-CD1 4.17Å; E609-L967 HydrophobicContact CG-CD1 3.61Å; E609-L967 HydrophobicContact CG-CG 3.98Å; E609-L967 WeakPolarHBondContact OE1-CG 3.49Å; E609-L967 PolarHBondContact OE1-N 3.05Å
968	D	90.5	Very high	93.5	Very high	50 Å²	50	44.3 Å²	44.3	27%	0.267	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.7	178.9	71.5	-8.3	0	0	0	114	P608 G966 K970	P608-D968 HydrophobicContact CB-CB 4.09Å; P608-D968 HydrophobicContact CG-CB 4.06Å; P608-D968 VanDerWaalsContact CG-CG 3.42Å; P608-D968 WeakPolarHBondContact CG-OD2 3.44Å; G966-D968 PolarHBondContact O-N 2.77Å; D968-K970 PolarHBondContact O-N 3.21Å; D968-K970 WeakPolarHBondContact OD1-CB 3.3Å; D968-K970 PolarHBondContact OD1-N 2.93Å; D968-K970 WeakPolarHBondContact OD2-CD 3.37Å
969	N	90.6	Very high	93.7	Very high	120 Å²	120	45.3 Å²	45.3	64%	0.642	24%	0.235	S	C	*	.	S	Bend	trans	58.4	20.5	-176.3	-59.3	-49.2	0	0	0	115	G966	G966-N969 PolarHBondContact O-N 2.91Å
970	K	90	Very high	93.8	Very high	129 Å²	129	40 Å²	40	56%	0.561	21%	0.206	S	C	*	.	S	Bend	trans	-97.7	-6.8	179	-62.3	-175.5	-174.2	170.7	0	114.4	P834 D968	P834-K970 HydrophobicContact CB-CB 4.42Å; P834-K970 VanDerWaalsContact CB-O 3.27Å; P834-K970 WeakPolarHBondContact CB-O 3.06Å; D968-K970 PolarHBondContact O-N 3.21Å; D968-K970 WeakPolarHBondContact OD1-CB 3.3Å; D968-K970 PolarHBondContact OD1-N 2.93Å; D968-K970 WeakPolarHBondContact OD2-CD 3.37Å
971	G	91.2	Very high	93.9	Very high	5 Å²	5	40.4 Å²	40.4	5%	0.052	21%	0.206	C	C	.	.			trans	121	144.5	-174.2	0	0	0	0	0	111.7	E964	E964-G971 CarbonylContact O-C 3.54Å; E964-G971 VanDerWaalsContact O-CA 3.31Å; E964-G971 WeakPolarHBondContact O-CA 3.46Å
972	L	94.1	Very high	93.9	Very high	33 Å²	33	38.9 Å²	38.9	17%	0.173	20%	0.195	C	C	.	.			trans	-70.5	144.9	-179.4	-170.7	62.8	0	0	0	111	A394 E964 V974	A394-L972 HydrophobicContact CB-CD2 3.63Å; E964-L972 HydrophobicContact CB-CB 3.85Å; E964-L972 HydrophobicContact CB-CD2 4.07Å; E964-L972 PolarHBondContact O-N 2.93Å; L972-V974 HydrophobicContact CD2-CG2 4.05Å; L972-V974 HydrophobicContact CG-CG2 4.07Å
973	I	96.2	Very high	93.8	Very high	13 Å²	13	39.3 Å²	39.3	7%	0.067	20%	0.197	C	C	.	.			trans	-109.8	121.7	173	-54.4	155.9	0	0	0	107.4	I607 P608 T831 I832	I607-I973 HydrophobicContact CB-CD1 4.27Å; I607-I973 HydrophobicContact CD1-CG2 4.33Å; I607-I973 HydrophobicContact CG1-CB 4.22Å; I607-I973 HydrophobicContact CG1-CD1 3.99Å; I607-I973 HydrophobicContact CG1-CG2 3.9Å; P608-I973 HydrophobicContact CG-CD1 4.32Å; T831-I973 HydrophobicContact CG2-CG2 3.68Å; I832-I973 CarbonylContact O-C 3.59Å; I832-I973 WeakPolarHBondContact O-CA 3.1Å
974	V	96.1	Very high	93.9	Very high	4 Å²	4	37 Å²	37	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130	-176.3	-171.5	0	0	0	0	109.5	P393 A394 W830 T831 I832 H947 L972	P393-V974 HydrophobicContact CB-CG1 4.32Å; P393-V974 HydrophobicContact CG-CB 4.47Å; P393-V974 HydrophobicContact CG-CG1 4.03Å; P393-V974 HydrophobicContact CG-CG2 4.21Å; A394-V974 HydrophobicContact CB-CG2 4.23Å; W830-V974 HydrophobicContact CH2-CG1 3.76Å; W830-V974 HydrophobicContact CZ3-CB 4Å; W830-V974 HydrophobicContact CZ3-CG1 3.64Å; T831-V974 WeakPolarHBondContact CA-O 3.45Å; I832-V974 PolarHBondContact N-O 3.23Å; I832-V974 PolarHBondContact O-N 2.89Å; H947-V974 WeakPolarHBondContact NE2-CG2 3.16Å; L972-V974 HydrophobicContact CD2-CG2 4.05Å; L972-V974 HydrophobicContact CG-CG2 4.07Å
975	R	96.5	Very high	94	Very high	13 Å²	13	36.7 Å²	36.7	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.6	171.5	-177.6	167.9	174	-143.7	7.7	109.7	N503 S505 E620 E829 W830 T831 R930	N503-R975 VanDerWaalsContact O-CD 3.27Å; N503-R975 WeakPolarHBondContact O-CD 3.39Å; N503-R975 PolarHBondContact O-NH1 2.99Å; S505-R975 PolarHBondContact OG-NH1 2.76Å; E620-R975 IonicContact OE1-CZ 3.93Å; E620-R975 IonicContact OE1-NH1 3.82Å; E620-R975 PolarHBondContact OE1-NH1 2.61Å; E620-R975 IonicContact OE1-NH2 3.11Å; E620-R975 PolarHBondContact OE1-NH2 2.8Å; E620-R975 IonicContact OE2-NH2 3.56Å; E829-R975 HydrophobicContact CG-CG 4.15Å; E829-R975 IonicContact OE1-CZ 3.46Å; E829-R975 VanDerWaalsContact OE1-CZ 3.28Å; E829-R975 IonicContact OE1-NE 2.77Å; E829-R975 PolarHBondContact OE1-NE 2.8Å; E829-R975 IonicContact OE1-NH2 3.69Å; E829-R975 PolarHBondContact OE1-NH2 2.78Å; E829-R975 VanDerWaalsContact OE1-NH2 3.08Å; E829-R975 IonicContact OE2-CZ 2.73Å; E829-R975 IonicContact OE2-NE 2.69Å; E829-R975 PolarHBondContact OE2-NE 2.91Å; E829-R975 IonicContact OE2-NH2 3.48Å; E829-R975 PolarHBondContact OE2-NH2 2.88Å; W830-R975 VanDerWaalsContact O-CA 3.28Å; W830-R975 WeakPolarHBondContact O-CA 3.5Å; T831-R975 HydrophobicContact CG2-CB 4.46Å; R930-R975 PolarHBondContact NH1-O 2.67Å; R930-R975 PolarHBondContact NH2-O 3.12Å
976	G	97.3	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	174.4	176	0	0	0	0	0	113.2	E829 W830 D929	E829-G976 CarbonylContact C-O 3.43Å; E829-G976 WeakPolarHBondContact CA-O 3.48Å; W830-G976 PolarHBondContact N-O 3.1Å; W830-G976 PolarHBondContact O-N 3.41Å; D929-G976 WeakPolarHBondContact OD2-CA 3.34Å
977	T	97.8	Very high	94.5	Very high	27 Å²	27	39 Å²	39	17%	0.166	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.9	-167.6	58	0	0	0	0	112.8	V828 E829 D929	V828-T977 CarbonylContact O-C 3.41Å; V828-T977 WeakPolarHBondContact O-CA 3.27Å; E829-T977 HydrophobicContact CB-CG2 4.2Å; E829-T977 HydrophobicContact CG-CG2 4.1Å; D929-T977 PolarHBondContact N-O 2.76Å; D929-T977 PolarHBondContact OD2-N 2.7Å; D929-T977 PolarHBondContact OD2-OG1 2.9Å; D929-T977 VanDerWaalsContact OD2-OG1 3.07Å
978	H	98.7	Very high	94.8	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.4	168.2	-60.2	165.5	0	0	0	110.2	E827 V828 W830 Y848 I926 Y927 Q932 L946	E827-H978 CarbonylContact C-O 3.58Å; E827-H978 WeakPolarHBondContact CA-O 3.27Å; V828-H978 HydrophobicContact CB-CB 4.49Å; V828-H978 PolarHBondContact N-O 2.93Å; V828-H978 PolarHBondContact O-N 3.02Å; W830-H978 AromaticContact NE1-CD2 3.9Å; W830-H978 AromaticContact NE1-NE2 3.52Å; Y848-H978 AromaticContact CE2-ND1 3.82Å; Y848-H978 AromaticContact CZ-ND1 3.78Å; Y848-H978 PolarHBondContact OH-ND1 2.93Å; I926-H978 HydrophobicContact CG2-CB 3.88Å; Y927-H978 CarbonylContact O-C 3.09Å; Y927-H978 VanDerWaalsContact O-CA 3.23Å; Y927-H978 WeakPolarHBondContact O-CA 3.08Å; Q932-H978 PolarHBondContact NE2-NE2 2.92Å; Q932-H978 PolarHBondContact OE1-NE2 3.03Å; L946-H978 VanDerWaalsContact CD2-CE1 3.45Å; L946-H978 WeakPolarHBondContact CD2-CE1 3.38Å
979	K	98	Very high	95	Very high	22 Å²	22	34.7 Å²	34.7	10%	0.096	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.5	165.5	-175	172.5	-173.6	171.1	0	108.9	E825 I926 Y927 T995 E998 M999	E825-K979 WeakPolarHBondContact OE1-CE 3.28Å; E825-K979 IonicContact OE1-NZ 3.18Å; E825-K979 PolarHBondContact OE1-NZ 2.96Å; I926-K979 WeakPolarHBondContact CA-O 3.3Å; Y927-K979 HydrophobicContact CD2-CB 4.48Å; Y927-K979 PolarHBondContact N-O 2.93Å; Y927-K979 PolarHBondContact O-N 2.56Å; K979-T995 HydrophobicContact CD-CG2 3.88Å; K979-E998 IonicContact NZ-OE2 3.1Å; K979-M999 HydrophobicContact CB-CE 4.12Å; K979-M999 HydrophobicContact CB-CG 4.21Å; K979-M999 HydrophobicContact CB-SD 3.54Å; K979-M999 VanDerWaalsContact CB-SD 3.54Å; K979-M999 HydrophobicContact CD-CG 4.22Å; K979-M999 HydrophobicContact CD-SD 3.85Å; K979-M999 HydrophobicContact CG-SD 4.35Å
980	I	97.8	Very high	95	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135	-173.5	-53.1	178.6	0	0	0	109.3	L757 I759 L826 V828 Y848 L924 A925 I926	L757-I980 HydrophobicContact CD2-CG2 3.88Å; I759-I980 HydrophobicContact CD1-CD1 4.29Å; L826-I980 HydrophobicContact CB-CB 4.18Å; L826-I980 HydrophobicContact CD2-CB 3.74Å; L826-I980 HydrophobicContact CD2-CD1 3.93Å; L826-I980 HydrophobicContact CD2-CG1 4.36Å; L826-I980 HydrophobicContact CD2-CG2 3.84Å; L826-I980 HydrophobicContact CG-CB 4.09Å; L826-I980 HydrophobicContact CG-CD1 4.3Å; L826-I980 PolarHBondContact O-N 3.48Å; V828-I980 HydrophobicContact CB-CD1 4.32Å; V828-I980 HydrophobicContact CG2-CD1 3.36Å; V828-I980 HydrophobicContact CG2-CG1 4.36Å; Y848-I980 HydrophobicContact CD1-CD1 3.77Å; Y848-I980 HydrophobicContact CE1-CD1 3.19Å; Y848-I980 HydrophobicContact CE1-CG1 4.28Å; L924-I980 HydrophobicContact CD1-CG2 4.03Å; A925-I980 WeakPolarHBondContact O-CA 3.37Å; I926-I980 HydrophobicContact CD1-CB 4.19Å; I926-I980 HydrophobicContact CD1-CD1 4.46Å; I926-I980 HydrophobicContact CD1-CG1 3.95Å; I926-I980 HydrophobicContact CD1-CG2 3.66Å
981	R	96	Very high	95.1	Very high	47 Å²	47	30.3 Å²	30.3	18%	0.177	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.2	173.1	-61.4	-62.9	-62.9	-83.7	-1.5	110.1	L924 A925 Y927 I988 E991	L924-R981 CarbonylContact C-O 3.47Å; L924-R981 WeakPolarHBondContact CA-O 3.49Å; A925-R981 PolarHBondContact N-O 2.84Å; A925-R981 PolarHBondContact O-N 3.18Å; Y927-R981 HydrophobicContact CE2-CB 4.41Å; Y927-R981 HydrophobicContact CE2-CG 3.96Å; R981-I988 HydrophobicContact CB-CD1 3.53Å; R981-E991 IonicContact CZ-OE2 3.34Å; R981-E991 IonicContact NH1-OE2 2.73Å; R981-E991 PolarHBondContact NH1-OE2 2.99Å; R981-E991 IonicContact NH2-OE2 2.7Å; R981-E991 PolarHBondContact NH2-OE2 2.91Å
982	F	95.5	Very high	95.3	Very high	16 Å²	16	30.6 Å²	30.6	7%	0.07	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	114.2	171.4	180	-87.9	0	0	0	108.7	M727 M746 I755 I850 I911 F922 G923 L924	M727-F982 HydrophobicContact CE-CD1 4.19Å; M727-F982 HydrophobicContact CE-CE1 4.11Å; M746-F982 HydrophobicContact CE-CB 4.26Å; M746-F982 HydrophobicContact CE-CD1 3.47Å; M746-F982 VanDerWaalsContact CE-CD1 3.47Å; M746-F982 HydrophobicContact CE-CD2 4.26Å; M746-F982 HydrophobicContact CE-CE1 3.85Å; M746-F982 HydrophobicContact CE-CG 3.71Å; M746-F982 HydrophobicContact CE-CZ 4.38Å; M746-F982 HydrophobicContact SD-CB 3.81Å; M746-F982 HydrophobicContact SD-CD1 3.55Å; M746-F982 VanDerWaalsContact SD-CD1 3.55Å; M746-F982 HydrophobicContact SD-CE1 4.41Å; M746-F982 HydrophobicContact SD-CG 3.82Å; I755-F982 HydrophobicContact CD1-CE1 3.61Å; I755-F982 HydrophobicContact CD1-CZ 3.72Å; I755-F982 HydrophobicContact CG2-CZ 4.29Å; I850-F982 HydrophobicContact CD1-CD2 3.66Å; I850-F982 HydrophobicContact CD1-CE2 3.69Å; I850-F982 HydrophobicContact CD1-CG 4.44Å; I850-F982 HydrophobicContact CG1-CD2 4.47Å; I850-F982 HydrophobicContact CG1-CE2 4.22Å; I911-F982 HydrophobicContact CD1-CE2 3.96Å; F922-F982 HydrophobicContact CB-CE2 4.26Å; F922-F982 HydrophobicContact CB-CZ 3.95Å; F922-F982 HydrophobicContact CD1-CD1 4.36Å; F922-F982 AromaticContact CD1-CE1 3.64Å; F922-F982 HydrophobicContact CD1-CE1 3.64Å; F922-F982 AromaticContact CD1-CZ 3.85Å; F922-F982 HydrophobicContact CD1-CZ 3.85Å; F922-F982 HydrophobicContact CE1-CE1 4.29Å; F922-F982 HydrophobicContact CG-CE1 4.36Å; F922-F982 HydrophobicContact CG-CZ 4.12Å; G923-F982 WeakPolarHBondContact O-CA 3.4Å; L924-F982 HydrophobicContact CB-CD2 4.08Å; L924-F982 HydrophobicContact CD1-CB 4.21Å; L924-F982 HydrophobicContact CD1-CD2 4.25Å
983	D	94.9	Very high	95.3	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.064	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	-179.2	-175.5	-140.9	-43.4	0	0	0	111	T726 F922 G923 L985 I988	T726-D983 WeakPolarHBondContact CB-OD1 3.47Å; T726-D983 PolarHBondContact OG1-OD1 2.73Å; T726-D983 PolarHBondContact OG1-OD2 2.82Å; F922-D983 CarbonylContact C-O 3.58Å; F922-D983 VanDerWaalsContact CA-O 3.22Å; F922-D983 WeakPolarHBondContact CA-O 3.27Å; F922-D983 WeakPolarHBondContact CB-O 3.46Å; F922-D983 WeakPolarHBondContact CD1-O 3.49Å; G923-D983 PolarHBondContact N-O 2.9Å; G923-D983 PolarHBondContact O-N 3.35Å; D983-L985 PolarHBondContact O-N 3.04Å; D983-I988 HydrophobicContact CB-CD1 3.79Å; D983-I988 HydrophobicContact CB-CG1 3.99Å
984	E	94.3	Very high	95.1	Very high	38 Å²	38	32.2 Å²	32.2	18%	0.178	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	137.4	167.9	-64.4	-171.9	-164.1	0	0	110.4	T726 H748 I920 F922 N986 L987 I988	T726-E984 HydrophobicContact CG2-CG 4.45Å; H748-E984 IonicContact CE1-OE1 3.94Å; H748-E984 IonicContact NE2-OE1 3.67Å; H748-E984 PolarHBondContact NE2-OE1 2.84Å; I920-E984 HydrophobicContact CG2-CG 4.19Å; F922-E984 HydrophobicContact CE1-CG 4.17Å; F922-E984 HydrophobicContact CE2-CG 4.47Å; F922-E984 HydrophobicContact CZ-CG 3.95Å; E984-N986 VanDerWaalsContact C-N 3.29Å; E984-N986 VanDerWaalsContact CB-OD1 3.24Å; E984-N986 WeakPolarHBondContact CB-OD1 3.28Å; E984-N986 PolarHBondContact O-N 2.8Å; E984-L987 HydrophobicContact CB-CD1 4.39Å; E984-L987 PolarHBondContact O-N 3Å; E984-L987 VanDerWaalsContact O-N 3.12Å; E984-I988 PolarHBondContact O-N 2.88Å
985	L	94.7	Very high	95	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.063	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-38.3	-168	-178.6	63.4	0	0	0	112.4	K909 N910 P921 D983 L987 I988 E989	K909-L985 HydrophobicContact CB-CD1 3.88Å; K909-L985 HydrophobicContact CB-CD2 4.41Å; K909-L985 HydrophobicContact CD-CD1 4.38Å; K909-L985 HydrophobicContact CG-CD1 3.93Å; N910-L985 WeakPolarHBondContact OD1-CD2 3.33Å; P921-L985 HydrophobicContact CB-CB 4.05Å; P921-L985 HydrophobicContact CB-CD2 4.23Å; P921-L985 HydrophobicContact CG-CB 4.28Å; P921-L985 WeakPolarHBondContact O-CB 3.48Å; P921-L985 PolarHBondContact O-N 2.96Å; D983-L985 PolarHBondContact O-N 3.04Å; L985-L987 VanDerWaalsContact C-N 3.32Å; L985-L987 PolarHBondContact O-N 3.43Å; L985-I988 PolarHBondContact O-N 2.82Å; L985-E989 HydrophobicContact CD1-CG 3.96Å; L985-E989 HydrophobicContact CG-CG 4.15Å; L985-E989 WeakPolarHBondContact O-CB 3.47Å; L985-E989 WeakPolarHBondContact O-CG 3.22Å; L985-E989 PolarHBondContact O-N 2.83Å
986	N	92.9	Very high	95.1	Very high	95 Å²	95	31.7 Å²	31.7	51%	0.508	16%	0.161	S	C	.	.	H	α-helix	trans	-58.8	-41	177.8	59.4	-17.4	0	0	0	112.5	E984 S990	E984-N986 VanDerWaalsContact C-N 3.29Å; E984-N986 VanDerWaalsContact CB-OD1 3.24Å; E984-N986 WeakPolarHBondContact CB-OD1 3.28Å; E984-N986 PolarHBondContact O-N 2.8Å; N986-S990 VanDerWaalsContact O-CB 3.26Å; N986-S990 WeakPolarHBondContact O-CB 3.42Å; N986-S990 PolarHBondContact O-N 2.83Å; N986-S990 PolarHBondContact O-OG 2.77Å
987	L	93.4	Very high	95	Very high	50 Å²	50	31.9 Å²	31.9	26%	0.262	16%	0.162	S	C	.	.	H	α-helix	trans	-67.3	-49	177.7	-66.5	175.2	0	0	0	110.4	T726 E984 L985 E989 S990 E991	T726-L987 HydrophobicContact CG2-CD1 3.71Å; E984-L987 HydrophobicContact CB-CD1 4.39Å; E984-L987 PolarHBondContact O-N 3Å; E984-L987 VanDerWaalsContact O-N 3.12Å; L985-L987 VanDerWaalsContact C-N 3.32Å; L985-L987 PolarHBondContact O-N 3.43Å; L987-E989 VanDerWaalsContact C-N 3.32Å; L987-E989 PolarHBondContact O-N 3.34Å; L987-S990 PolarHBondContact O-N 3.04Å; L987-S990 PolarHBondContact O-OG 2.81Å; L987-E991 PolarHBondContact O-N 2.99Å; L987-E991 VanDerWaalsContact O-N 3.12Å
988	I	94.9	Very high	94.8	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-55.6	-47.4	176.5	-61.6	-64.2	0	0	0	111	A925 R981 D983 E984 L985 E991 D992	A925-I988 HydrophobicContact CB-CG2 4.05Å; R981-I988 HydrophobicContact CB-CD1 3.53Å; D983-I988 HydrophobicContact CB-CD1 3.79Å; D983-I988 HydrophobicContact CB-CG1 3.99Å; E984-I988 PolarHBondContact O-N 2.88Å; L985-I988 PolarHBondContact O-N 2.82Å; I988-E991 PolarHBondContact O-N 2.94Å; I988-D992 WeakPolarHBondContact O-CA 3.39Å; I988-D992 WeakPolarHBondContact O-CB 3.35Å; I988-D992 PolarHBondContact O-N 2.83Å
989	E	93.2	Very high	94.6	Very high	87 Å²	87	33.9 Å²	33.9	41%	0.407	17%	0.17	S	C	.	.	H	α-helix	trans	-68.9	-37.4	-179.2	-71.5	-176.1	140.3	0	0	112.6	K909 L985 L987 E991	K909-E989 WeakPolarHBondContact CD-OE1 3.33Å; K909-E989 WeakPolarHBondContact CE-OE1 3.49Å; K909-E989 IonicContact NZ-OE1 3.71Å; K909-E989 PolarHBondContact NZ-OE1 2.85Å; L985-E989 HydrophobicContact CD1-CG 3.96Å; L985-E989 HydrophobicContact CG-CG 4.15Å; L985-E989 WeakPolarHBondContact O-CB 3.47Å; L985-E989 WeakPolarHBondContact O-CG 3.22Å; L985-E989 PolarHBondContact O-N 2.83Å; L987-E989 VanDerWaalsContact C-N 3.32Å; L987-E989 PolarHBondContact O-N 3.34Å; E989-E991 VanDerWaalsContact C-N 3.27Å; E989-E991 PolarHBondContact O-N 3.37Å
990	S	91.4	Very high	94.5	Very high	89 Å²	89	33.1 Å²	33.1	62%	0.622	17%	0.167	S	C	*	.	H	α-helix	trans	-66.9	-28.1	178.7	74	0	0	0	0	113.5	N986 L987	N986-S990 VanDerWaalsContact O-CB 3.26Å; N986-S990 WeakPolarHBondContact O-CB 3.42Å; N986-S990 PolarHBondContact O-N 2.83Å; N986-S990 PolarHBondContact O-OG 2.77Å; L987-S990 PolarHBondContact O-N 3.04Å; L987-S990 PolarHBondContact O-OG 2.81Å
991	E	91.8	Very high	94.3	Very high	68 Å²	68	33.2 Å²	33.2	32%	0.318	17%	0.167	S	C	.	.	H	α-helix	trans	-104.6	-7.9	-176.6	-65	-178.7	178.1	0	0	113.3	R981 L987 I988 E989 R993 K994 T995	R981-E991 IonicContact CZ-OE2 3.34Å; R981-E991 IonicContact NH1-OE2 2.73Å; R981-E991 PolarHBondContact NH1-OE2 2.99Å; R981-E991 IonicContact NH2-OE2 2.7Å; R981-E991 PolarHBondContact NH2-OE2 2.91Å; L987-E991 PolarHBondContact O-N 2.99Å; L987-E991 VanDerWaalsContact O-N 3.12Å; I988-E991 PolarHBondContact O-N 2.94Å; E989-E991 VanDerWaalsContact C-N 3.27Å; E989-E991 PolarHBondContact O-N 3.37Å; E991-R993 PolarHBondContact O-N 3.13Å; E991-K994 PolarHBondContact O-N 3.27Å; E991-T995 WeakPolarHBondContact O-CB 3.49Å; E991-T995 PolarHBondContact O-N 2.98Å; E991-T995 PolarHBondContact O-OG1 2.89Å
992	D	95	Very high	94.2	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-51.5	-62.5	-170.7	172.1	50.5	0	0	0	112.2	R905 M907 Y927 I988 K994 T995 A996	R905-D992 WeakPolarHBondContact CD-OD1 3.39Å; R905-D992 IonicContact CZ-OD1 2.61Å; R905-D992 IonicContact CZ-OD2 2.82Å; R905-D992 VanDerWaalsContact NE-CG 3.27Å; R905-D992 IonicContact NE-OD1 3.67Å; R905-D992 PolarHBondContact NE-OD1 2.71Å; R905-D992 IonicContact NE-OD2 3.9Å; R905-D992 PolarHBondContact NE-OD2 3.16Å; R905-D992 IonicContact NH2-OD2 3.63Å; R905-D992 PolarHBondContact NH2-OD2 2.96Å; R905-D992 VanDerWaalsContact NH2-OD2 3.08Å; M907-D992 VanDerWaalsContact SD-OD1 3.42Å; Y927-D992 WeakPolarHBondContact CE1-O 3.34Å; Y927-D992 WeakPolarHBondContact CE1-OD1 3.5Å; Y927-D992 WeakPolarHBondContact OH-CA 3.35Å; Y927-D992 PolarHBondContact OH-OD1 3.01Å; I988-D992 WeakPolarHBondContact O-CA 3.39Å; I988-D992 WeakPolarHBondContact O-CB 3.35Å; I988-D992 PolarHBondContact O-N 2.83Å; D992-K994 VanDerWaalsContact C-N 3.3Å; D992-K994 PolarHBondContact O-N 2.87Å; D992-T995 PolarHBondContact O-N 3.43Å; D992-A996 WeakPolarHBondContact O-CB 3.44Å; D992-A996 PolarHBondContact O-N 2.69Å
993	R	94.1	Very high	94.2	Very high	25 Å²	25	33.2 Å²	33.2	9%	0.094	17%	0.173	C	C	.	.	H	α-helix	trans	-69.5	-29.7	-174.4	-65.9	-174.2	67.5	170.4	7.3	112.6	E991 A996 Q997 E1060 L1062 D1135	E991-R993 PolarHBondContact O-N 3.13Å; R993-A996 WeakPolarHBondContact O-CB 3.21Å; R993-Q997 WeakPolarHBondContact O-CG 3.36Å; R993-Q997 PolarHBondContact O-N 2.96Å; R993-E1060 IonicContact CZ-OE1 3.37Å; R993-E1060 IonicContact NH2-OE1 3.1Å; R993-E1060 PolarHBondContact NH2-OE1 3.4Å; R993-E1060 IonicContact NH2-OE2 2.77Å; R993-E1060 PolarHBondContact NH2-OE2 3.3Å; R993-L1062 HydrophobicContact CB-CB 4.03Å; R993-L1062 HydrophobicContact CB-CD1 4.11Å; R993-L1062 HydrophobicContact CB-CD2 4.14Å; R993-L1062 HydrophobicContact CB-CG 4.33Å; R993-L1062 VanDerWaalsContact CD-O 3.29Å; R993-L1062 WeakPolarHBondContact CD-O 3.12Å; R993-D1135 IonicContact NH1-OD1 3.64Å; R993-D1135 PolarHBondContact NH1-OD1 3.08Å
994	K	93.2	Very high	94.1	Very high	56 Å²	56	33.6 Å²	33.6	24%	0.243	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-56.4	172.1	-174.4	-178.6	179.9	-177.7	0	109.2	W546 E991 D992 A996 Q997 E998	W546-K994 HydrophobicContact CE3-CG 4.07Å; W546-K994 HydrophobicContact CH2-CG 4.23Å; W546-K994 HydrophobicContact CZ3-CB 4.46Å; W546-K994 HydrophobicContact CZ3-CG 3.7Å; E991-K994 PolarHBondContact O-N 3.27Å; D992-K994 VanDerWaalsContact C-N 3.3Å; D992-K994 PolarHBondContact O-N 2.87Å; K994-A996 PolarHBondContact O-N 2.86Å; K994-Q997 WeakPolarHBondContact O-CA 3.41Å; K994-Q997 WeakPolarHBondContact O-CB 3.34Å; K994-Q997 PolarHBondContact O-N 3.26Å; K994-E998 VanDerWaalsContact CE-OE1 3.3Å; K994-E998 WeakPolarHBondContact CE-OE1 3.43Å; K994-E998 HydrophobicContact CG-CG 4.44Å; K994-E998 WeakPolarHBondContact O-CG 3.3Å; K994-E998 PolarHBondContact O-N 3.34Å
995	T	94.8	Very high	94.1	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-54.9	-40	179.5	-54.3	0	0	0	0	111.8	Y927 K979 E991 D992 Q997 E998 M999	Y927-T995 HydrophobicContact CD1-CG2 4.09Å; Y927-T995 HydrophobicContact CD2-CG2 3.71Å; Y927-T995 HydrophobicContact CE1-CG2 3.96Å; Y927-T995 HydrophobicContact CE2-CG2 3.59Å; Y927-T995 HydrophobicContact CG-CG2 3.98Å; K979-T995 HydrophobicContact CD-CG2 3.88Å; E991-T995 WeakPolarHBondContact O-CB 3.49Å; E991-T995 PolarHBondContact O-N 2.98Å; E991-T995 PolarHBondContact O-OG1 2.89Å; D992-T995 PolarHBondContact O-N 3.43Å; T995-Q997 PolarHBondContact O-N 2.73Å; T995-E998 PolarHBondContact O-N 2.84Å; T995-M999 WeakPolarHBondContact O-CG 3.43Å; T995-M999 PolarHBondContact O-N 3.22Å
996	A	96.6	Very high	94.1	Very high	1 Å²	1	32 Å²	32	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-57	-44.8	173	0	0	0	0	0	113.2	N904 Y927 D992 R993 K994 R1000	N904-A996 PolarHBondContact ND2-O 2.86Å; N904-A996 VanDerWaalsContact OD1-CA 3.25Å; N904-A996 WeakPolarHBondContact OD1-CA 3.41Å; N904-A996 WeakPolarHBondContact OD1-CB 3.45Å; N904-A996 PolarHBondContact OD1-O 2.9Å; Y927-A996 HydrophobicContact CD1-CB 4.25Å; Y927-A996 HydrophobicContact CE1-CB 4.27Å; D992-A996 WeakPolarHBondContact O-CB 3.44Å; D992-A996 PolarHBondContact O-N 2.69Å; R993-A996 WeakPolarHBondContact O-CB 3.21Å; K994-A996 PolarHBondContact O-N 2.86Å; A996-R1000 WeakPolarHBondContact O-CB 3.19Å; A996-R1000 PolarHBondContact O-N 3.31Å; A996-R1000 VanDerWaalsContact O-N 3.08Å
997	Q	95.5	Very high	94	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.019	15%	0.145	C	C	.	.	H	α-helix	trans	-67.8	-40.5	176	-66.5	-46.5	-55.5	0	0	112.1	Y149 Y150 L544 W546 R993 K994 T995 M999 R1000 R1001 N1034	Y149-Q997 PolarHBondContact OH-NE2 3.27Å; Y150-Q997 PolarHBondContact OH-NE2 3.28Å; L544-Q997 HydrophobicContact CD2-CB 4.21Å; W546-Q997 HydrophobicContact CH2-CB 4.14Å; W546-Q997 HydrophobicContact CH2-CG 4.08Å; W546-Q997 HydrophobicContact CZ3-CB 4.01Å; W546-Q997 HydrophobicContact CZ3-CG 4.46Å; R993-Q997 WeakPolarHBondContact O-CG 3.36Å; R993-Q997 PolarHBondContact O-N 2.96Å; K994-Q997 WeakPolarHBondContact O-CA 3.41Å; K994-Q997 WeakPolarHBondContact O-CB 3.34Å; K994-Q997 PolarHBondContact O-N 3.26Å; T995-Q997 PolarHBondContact O-N 2.73Å; Q997-M999 VanDerWaalsContact C-N 3.31Å; Q997-M999 PolarHBondContact O-N 3.18Å; Q997-R1000 PolarHBondContact O-N 2.88Å; Q997-R1000 VanDerWaalsContact O-N 3.14Å; Q997-R1001 PolarHBondContact O-N 2.96Å; Q997-N1034 PolarHBondContact OE1-ND2 3.04Å
998	E	94.3	Very high	93.7	Very high	35 Å²	35	25.4 Å²	25.4	16%	0.164	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-38.4	178.2	-53.3	-173.5	147.4	0	0	111.6	L544 Q548 K979 K994 T995 R1001	L544-E998 HydrophobicContact CD1-CG 4.42Å; Q548-E998 PolarHBondContact NE2-OE1 2.85Å; K979-E998 IonicContact NZ-OE2 3.1Å; K994-E998 VanDerWaalsContact CE-OE1 3.3Å; K994-E998 WeakPolarHBondContact CE-OE1 3.43Å; K994-E998 HydrophobicContact CG-CG 4.44Å; K994-E998 WeakPolarHBondContact O-CG 3.3Å; K994-E998 PolarHBondContact O-N 3.34Å; T995-E998 PolarHBondContact O-N 2.84Å; E998-R1001 CarbonylContact O-C 3.52Å
999	M	94.9	Very high	93.1	Very high	35 Å²	35	31.4 Å²	31.4	17%	0.172	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-34.1	173.7	-75.1	-62.5	-60	0	0	112.8	Y927 D929 K979 T995 Q997	Y927-M999 HydrophobicContact CG-CG 4.46Å; D929-M999 HydrophobicContact CB-CE 4.43Å; K979-M999 HydrophobicContact CB-CE 4.12Å; K979-M999 HydrophobicContact CB-CG 4.21Å; K979-M999 HydrophobicContact CB-SD 3.54Å; K979-M999 VanDerWaalsContact CB-SD 3.54Å; K979-M999 HydrophobicContact CD-CG 4.22Å; K979-M999 HydrophobicContact CD-SD 3.85Å; K979-M999 HydrophobicContact CG-SD 4.35Å; T995-M999 WeakPolarHBondContact O-CG 3.43Å; T995-M999 PolarHBondContact O-N 3.22Å; Q997-M999 VanDerWaalsContact C-N 3.31Å; Q997-M999 PolarHBondContact O-N 3.18Å
1000	R	94.9	Very high	92.4	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-75.6	-31.2	-180	175.6	59.9	179.7	76.2	1.1	113.2	Y149 D152 R400 S403 A996 Q997 P1002	Y149-R1000 HydrophobicContact CD1-CG 4.12Å; Y149-R1000 HydrophobicContact CE1-CB 4.47Å; Y149-R1000 HydrophobicContact CE1-CG 3.61Å; Y149-R1000 HydrophobicContact CE2-CB 4.48Å; Y149-R1000 HydrophobicContact CE2-CG 4.19Å; D152-R1000 IonicContact OD1-NH2 3.41Å; D152-R1000 PolarHBondContact OD1-NH2 2.73Å; D152-R1000 VanDerWaalsContact OD1-NH2 3.11Å; D152-R1000 IonicContact OD2-CZ 2.66Å; D152-R1000 IonicContact OD2-NH2 3.89Å; D152-R1000 PolarHBondContact OD2-NH2 3.13Å; R400-R1000 PolarHBondContact O-NH1 3.27Å; S403-R1000 PolarHBondContact OG-NH2 3Å; A996-R1000 WeakPolarHBondContact O-CB 3.19Å; A996-R1000 PolarHBondContact O-N 3.31Å; A996-R1000 VanDerWaalsContact O-N 3.08Å; Q997-R1000 PolarHBondContact O-N 2.88Å; Q997-R1000 VanDerWaalsContact O-N 3.14Å; R1000-P1002 VanDerWaalsContact C-CD 3.43Å; R1000-P1002 WeakPolarHBondContact O-CD 3.4Å
1001	R	94.5	Very high	91.4	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.015	14%	0.138	C	C	.	.	S	Bend	trans	-124.3	65.8	-175.1	-66.1	-179.5	174.1	-75.9	8	110.3	N404 S407 P543 L544 Q997 E998 L1036	N404-R1001 WeakPolarHBondContact OD1-CA 3.29Å; N404-R1001 WeakPolarHBondContact OD1-CB 3.34Å; S407-R1001 PolarHBondContact OG-NH1 3.4Å; S407-R1001 PolarHBondContact OG-NH2 3.38Å; S407-R1001 VanDerWaalsContact OG-NH2 3.09Å; P543-R1001 HydrophobicContact CG-CB 3.97Å; L544-R1001 HydrophobicContact CD2-CB 4.19Å; L544-R1001 HydrophobicContact CD2-CG 4.44Å; L544-R1001 HydrophobicContact CG-CB 4.38Å; Q997-R1001 PolarHBondContact O-N 2.96Å; E998-R1001 CarbonylContact O-C 3.52Å; R1001-L1036 PolarHBondContact NH2-O 2.92Å
1002	P	93.8	Very high	90	Very high	48 Å²	48	30.9 Å²	30.9	31%	0.312	15%	0.147	S	C	.	.			trans	-60	152.2	176.7	27.9	-35.5	0	0	0	110.6	N404 R1000 I1004	N404-P1002 PolarHBondContact ND2-O 3.16Å; R1000-P1002 VanDerWaalsContact C-CD 3.43Å; R1000-P1002 WeakPolarHBondContact O-CD 3.4Å; P1002-I1004 PolarHBondContact O-N 3.02Å
1003	I	95.9	Very high	88.3	Confident	15 Å²	15	32.4 Å²	32.4	8%	0.077	15%	0.154	C	C	.	.			trans	-58.9	132.8	174.9	-63	-56	0	0	0	109.8	L540 N542 V551 I553 L628 P1005	L540-I1003 HydrophobicContact CB-CG2 3.81Å; L540-I1003 HydrophobicContact CD2-CG2 4.11Å; L540-I1003 HydrophobicContact CG-CG2 4.42Å; N542-I1003 HydrophobicContact CB-CD1 3.58Å; V551-I1003 HydrophobicContact CB-CG1 4.41Å; V551-I1003 HydrophobicContact CG1-CB 4.26Å; V551-I1003 HydrophobicContact CG1-CG1 3.67Å; V551-I1003 HydrophobicContact CG2-CG1 4.13Å; I553-I1003 HydrophobicContact CD1-CB 3.91Å; I553-I1003 HydrophobicContact CD1-CG2 3.8Å; L628-I1003 HydrophobicContact CD1-CD1 3.73Å; L628-I1003 HydrophobicContact CD1-CG1 3.62Å; L628-I1003 HydrophobicContact CD1-CG2 4.17Å; I1003-P1005 VanDerWaalsContact O-CD 3.26Å; I1003-P1005 WeakPolarHBondContact O-CD 3.28Å
1004	I	92.2	Very high	86.9	Confident	20 Å²	20	34.9 Å²	34.9	10%	0.103	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.5	179.1	-57.4	174.2	0	0	0	108.2	N404 M408 F498 Y541 P1002	N404-I1004 WeakPolarHBondContact ND2-CG1 3.42Å; M408-I1004 HydrophobicContact CB-CD1 4.01Å; M408-I1004 HydrophobicContact CE-CD1 4.07Å; M408-I1004 HydrophobicContact CE-CG2 4.02Å; M408-I1004 HydrophobicContact SD-CB 4.02Å; M408-I1004 HydrophobicContact SD-CD1 3.81Å; M408-I1004 HydrophobicContact SD-CG1 4.48Å; M408-I1004 HydrophobicContact SD-CG2 4.13Å; F498-I1004 HydrophobicContact CD1-CG2 4.49Å; F498-I1004 HydrophobicContact CE1-CG2 4.32Å; Y541-I1004 PolarHBondContact N-O 3.3Å; Y541-I1004 VanDerWaalsContact N-O 3.14Å; Y541-I1004 PolarHBondContact O-N 3.15Å; P1002-I1004 PolarHBondContact O-N 3.02Å
1005	P	94.5	Very high	85.7	Confident	18 Å²	18	33.8 Å²	33.8	12%	0.117	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	136.5	173.4	33.3	-34.6	0	0	0	110.6	L502 L539 L540 I1003 F1007	L502-P1005 HydrophobicContact CD1-CG 3.46Å; L502-P1005 VanDerWaalsContact CD1-CG 3.46Å; L539-P1005 CarbonylContact O-C 3.57Å; L539-P1005 WeakPolarHBondContact O-CA 3.41Å; L540-P1005 HydrophobicContact CD2-CB 3.81Å; I1003-P1005 VanDerWaalsContact O-CD 3.26Å; I1003-P1005 WeakPolarHBondContact O-CD 3.28Å; P1005-F1007 HydrophobicContact CB-CE2 4.1Å; P1005-F1007 HydrophobicContact CB-CZ 3.97Å; P1005-F1007 HydrophobicContact CG-CE2 4.39Å; P1005-F1007 HydrophobicContact CG-CZ 4.46Å
1006	M	94.1	Very high	84.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.9	167.9	-55.6	166.5	-68.2	0	0	109.3	M408 I475 Y479 V496 F498 I538 L539	M408-M1006 HydrophobicContact CE-SD 4.24Å; M408-M1006 HydrophobicContact SD-SD 4.49Å; I475-M1006 HydrophobicContact CG2-SD 4.14Å; Y479-M1006 HydrophobicContact CD2-CE 4.37Å; Y479-M1006 HydrophobicContact CD2-SD 4.39Å; Y479-M1006 HydrophobicContact CE1-CE 4.21Å; Y479-M1006 HydrophobicContact CE2-CE 3.37Å; Y479-M1006 HydrophobicContact CE2-SD 3.69Å; Y479-M1006 WeakPolarHBondContact OH-CE 3.41Å; V496-M1006 HydrophobicContact CG1-CB 3.54Å; V496-M1006 HydrophobicContact CG1-CG 3.92Å; V496-M1006 HydrophobicContact CG1-SD 3.6Å; F498-M1006 HydrophobicContact CD1-CG 3.93Å; F498-M1006 HydrophobicContact CE1-CG 3.49Å; F498-M1006 VanDerWaalsContact CE1-CG 3.49Å; F498-M1006 HydrophobicContact CE1-SD 3.65Å; F498-M1006 HydrophobicContact CE2-SD 4.35Å; F498-M1006 HydrophobicContact CZ-CG 3.84Å; F498-M1006 HydrophobicContact CZ-SD 3.49Å; F498-M1006 WeakPolarHBondContact CZ-SD 3.47Å; I538-M1006 WeakPolarHBondContact CA-O 3.38Å; L539-M1006 HydrophobicContact CB-CB 4.3Å; L539-M1006 HydrophobicContact CB-CE 3.76Å; L539-M1006 HydrophobicContact CD2-CE 4.35Å; L539-M1006 PolarHBondContact N-O 3.11Å; L539-M1006 PolarHBondContact O-N 3.1Å
1007	F	91.7	Very high	82.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.5	-171.8	-57.5	-85.4	0	0	0	111.4	T497 C499 L502 T509 T510 I536 F537 I538 F555 P1005	T497-F1007 PolarHBondContact N-O 2.87Å; T497-F1007 PolarHBondContact O-N 2.95Å; C499-F1007 HydrophobicContact CB-CD2 4.47Å; C499-F1007 HydrophobicContact CB-CE2 4.2Å; L502-F1007 HydrophobicContact CD1-CE2 4.46Å; T509-F1007 HydrophobicContact CG2-CB 3.63Å; T510-F1007 HydrophobicContact CG2-CD1 3.67Å; T510-F1007 HydrophobicContact CG2-CE1 3.53Å; T510-F1007 HydrophobicContact CG2-CG 4.23Å; T510-F1007 HydrophobicContact CG2-CZ 4Å; I536-F1007 HydrophobicContact CG2-CB 4.04Å; I536-F1007 HydrophobicContact CG2-CD1 3.89Å; I536-F1007 HydrophobicContact CG2-CG 4.45Å; F537-F1007 WeakPolarHBondContact O-CA 3.41Å; I538-F1007 HydrophobicContact CD1-CE1 4.47Å; I538-F1007 HydrophobicContact CG1-CD1 4.02Å; I538-F1007 HydrophobicContact CG1-CE1 4Å; I538-F1007 HydrophobicContact CG2-CD1 4.41Å; I538-F1007 HydrophobicContact CG2-CE1 4.05Å; F555-F1007 HydrophobicContact CB-CE1 4.45Å; F555-F1007 HydrophobicContact CB-CZ 3.94Å; F555-F1007 HydrophobicContact CD1-CE1 4.25Å; F555-F1007 HydrophobicContact CD1-CZ 4.39Å; F555-F1007 HydrophobicContact CG-CE1 4.19Å; F555-F1007 HydrophobicContact CG-CZ 4.18Å; P1005-F1007 HydrophobicContact CB-CE2 4.1Å; P1005-F1007 HydrophobicContact CB-CZ 3.97Å; P1005-F1007 HydrophobicContact CG-CE2 4.39Å; P1005-F1007 HydrophobicContact CG-CZ 4.46Å
1008	I	86.4	Confident	81.5	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.1	178.6	-45.2	-176.8	0	0	0	107.9	F494 V496 I536 F537 L539	F494-I1008 HydrophobicContact CD1-CD1 4.07Å; F494-I1008 HydrophobicContact CD2-CG2 4.07Å; F494-I1008 HydrophobicContact CE1-CD1 3.23Å; F494-I1008 HydrophobicContact CE2-CD1 3.88Å; F494-I1008 HydrophobicContact CE2-CG2 3.9Å; F494-I1008 HydrophobicContact CG-CG2 4.46Å; F494-I1008 HydrophobicContact CZ-CD1 3.11Å; F494-I1008 HydrophobicContact CZ-CG1 4.42Å; F494-I1008 HydrophobicContact CZ-CG2 4.2Å; V496-I1008 HydrophobicContact CG2-CD1 3.86Å; V496-I1008 HydrophobicContact CG2-CG1 4.33Å; I536-I1008 CarbonylContact C-O 3.57Å; I536-I1008 WeakPolarHBondContact CA-O 3.41Å; F537-I1008 HydrophobicContact CB-CB 4.23Å; F537-I1008 PolarHBondContact N-O 2.63Å; F537-I1008 PolarHBondContact O-N 2.88Å; L539-I1008 HydrophobicContact CD1-CD1 3.51Å; L539-I1008 HydrophobicContact CD1-CG1 3.85Å; L539-I1008 HydrophobicContact CD2-CD1 3.98Å; L539-I1008 HydrophobicContact CG-CD1 4.42Å
1009	R	83	Confident	80.7	Confident	128 Å²	128	44.7 Å²	44.7	48%	0.483	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.8	173.8	-66.6	-173.3	-179.8	-177.1	1.2	109.8	T509	T509-R1009 HydrophobicContact CG2-CG 4.38Å
1010	A	78.3	Confident	80.1	Confident	5 Å²	5	46.1 Å²	46.1	4%	0.041	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.9	175.4	0	0	0	0	0	109.3	D534 G535 F537 Y637	D534-A1010 WeakPolarHBondContact CA-O 3.3Å; G535-A1010 PolarHBondContact N-O 3.12Å; G535-A1010 PolarHBondContact O-N 2.7Å; F537-A1010 HydrophobicContact CD2-CB 3.76Å; F537-A1010 HydrophobicContact CE2-CB 3.42Å; F537-A1010 VanDerWaalsContact CE2-CB 3.42Å; F537-A1010 HydrophobicContact CZ-CB 3.9Å; Y637-A1010 HydrophobicContact CD2-CB 4.47Å; Y637-A1010 HydrophobicContact CE2-CB 3.88Å
1011	N	69.8	Low	79.8	Confident	111 Å²	111	46.2 Å²	46.2	59%	0.594	25%	0.249	S	C	*	.			trans	-102.1	109	176.7	-67.4	-13.4	0	0	0	109.7	Q1013	N1011-Q1013 PolarHBondContact O-N 3Å
1012	K	61.5	Low	79.6	Confident	117 Å²	117	46.7 Å²	46.7	51%	0.509	25%	0.251	S	S	.	.	S	Bend	trans	31.3	49	172.1	-59.8	-169.5	175.1	-173.4	0	115	D528 D532	D528-K1012 IonicContact OD1-NZ 2.88Å; D528-K1012 PolarHBondContact OD1-NZ 3.44Å; D528-K1012 VanDerWaalsContact OD1-NZ 3.1Å; D528-K1012 IonicContact OD2-NZ 2.91Å; D528-K1012 PolarHBondContact OD2-NZ 3.38Å; D532-K1012 WeakPolarHBondContact O-CG 3.28Å
1013	Q	61.2	Low	79.6	Confident	43 Å²	43	45.5 Å²	45.5	20%	0.201	24%	0.243	C	C	.	.			trans	-104	135.1	-177.7	-92.9	173.6	3.2	0	0	110.6	F488 N1011 L1015	F488-Q1013 PolarHBondContact O-NE2 2.75Å; N1011-Q1013 PolarHBondContact O-N 3Å; Q1013-L1015 PolarHBondContact O-N 3.27Å
1014	S	64.4	Low	79.5	Confident	76 Å²	76	44.8 Å²	44.8	53%	0.531	24%	0.239	S	C	.	.			trans	-59.3	128.3	169.1	173.7	0	0	0	0	110.2	A1016	S1014-A1016 VanDerWaalsContact C-N 3.28Å; S1014-A1016 PolarHBondContact OG-N 3.4Å
1015	L	66.4	Low	79.6	Confident	34 Å²	34	44.2 Å²	44.2	18%	0.178	24%	0.236	C	C	.	.			trans	-83.6	-0.4	174.8	-60.2	176.8	0	0	0	113.2	F537 K581 Y637 Q1013	F537-L1015 HydrophobicContact CE1-CD2 3.86Å; F537-L1015 HydrophobicContact CZ-CD2 4.22Å; K581-L1015 HydrophobicContact CD-CD1 4.22Å; Y637-L1015 HydrophobicContact CD1-CD1 3.65Å; Y637-L1015 HydrophobicContact CD1-CD2 4.43Å; Y637-L1015 HydrophobicContact CD2-CD1 4.37Å; Y637-L1015 HydrophobicContact CD2-CD2 3.69Å; Y637-L1015 HydrophobicContact CE1-CD1 3.72Å; Y637-L1015 HydrophobicContact CE2-CD1 4.42Å; Y637-L1015 HydrophobicContact CE2-CD2 3.97Å; Y637-L1015 HydrophobicContact CG-CD1 3.96Å; Y637-L1015 HydrophobicContact CG-CD2 3.91Å; Q1013-L1015 PolarHBondContact O-N 3.27Å
1016	A	62.3	Low	79.6	Confident	62 Å²	62	47.6 Å²	47.6	51%	0.512	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	138	176.1	0	0	0	0	0	110	S1014 L1018	S1014-A1016 VanDerWaalsContact C-N 3.28Å; S1014-A1016 PolarHBondContact OG-N 3.4Å; A1016-L1018 PolarHBondContact O-N 3.18Å; A1016-L1018 VanDerWaalsContact O-N 3.14Å
1017	D	65.4	Low	79.5	Confident	152 Å²	152	55 Å²	55	81%	0.813	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	18.3	176.3	-50.3	-42.3	0	0	0	115.6	Q487	Q487-D1017 PolarHBondContact NE2-O 2.88Å
1018	L	71	Confident	79.7	Confident	19 Å²	19	57.6 Å²	57.6	10%	0.099	31%	0.307	C	S	.	.			trans	-73.5	142.2	175.9	-147.5	79.6	0	0	0	111.4	Q487 F488 F537 L583 A1016 N1020	Q487-L1018 HydrophobicContact CB-CD1 4.05Å; F488-L1018 HydrophobicContact CD1-CD2 4.48Å; F488-L1018 HydrophobicContact CE1-CD1 4.43Å; F488-L1018 HydrophobicContact CE1-CD2 3.57Å; F488-L1018 HydrophobicContact CE1-CG 4.05Å; F488-L1018 HydrophobicContact CZ-CD1 4.46Å; F488-L1018 HydrophobicContact CZ-CD2 3.78Å; F488-L1018 HydrophobicContact CZ-CG 3.85Å; F537-L1018 HydrophobicContact CD1-CD2 4.44Å; F537-L1018 HydrophobicContact CE1-CD2 3.56Å; F537-L1018 HydrophobicContact CZ-CD2 3.74Å; L583-L1018 HydrophobicContact CD1-CB 4.46Å; L583-L1018 HydrophobicContact CD1-CD2 3.62Å; A1016-L1018 PolarHBondContact O-N 3.18Å; A1016-L1018 VanDerWaalsContact O-N 3.14Å; L1018-N1020 PolarHBondContact O-N 3.43Å
1019	F	77.6	Confident	80.2	Confident	40 Å²	40	57.8 Å²	57.8	18%	0.175	31%	0.308	C	S	.	.			trans	-51	132.8	168.8	-168.8	-105	0	0	0	110.3	L483 P484 F488 F633 I635 G1021 W1022	L483-F1019 HydrophobicContact CD2-CD1 3.9Å; L483-F1019 HydrophobicContact CD2-CE1 4.09Å; P484-F1019 HydrophobicContact CG-CB 4.03Å; P484-F1019 HydrophobicContact CG-CD2 3.57Å; P484-F1019 HydrophobicContact CG-CE2 4.1Å; P484-F1019 HydrophobicContact CG-CG 3.87Å; F488-F1019 HydrophobicContact CE2-CB 3.68Å; F488-F1019 HydrophobicContact CE2-CD1 4.49Å; F488-F1019 HydrophobicContact CE2-CG 4.46Å; F488-F1019 HydrophobicContact CZ-CB 4.04Å; F633-F1019 HydrophobicContact CE2-CD1 4.42Å; F633-F1019 AromaticContact CE2-CE1 3.96Å; F633-F1019 HydrophobicContact CE2-CE1 3.96Å; F633-F1019 AromaticContact CZ-CE1 3.88Å; F633-F1019 HydrophobicContact CZ-CE1 3.88Å; I635-F1019 HydrophobicContact CD1-CD1 4.17Å; F1019-G1021 VanDerWaalsContact CE1-O 3.25Å; F1019-G1021 WeakPolarHBondContact CE1-O 3.49Å; F1019-G1021 WeakPolarHBondContact CZ-O 3.38Å; F1019-W1022 HydrophobicContact CE1-CB 3.95Å; F1019-W1022 HydrophobicContact CZ-CB 3.77Å
1020	N	83.4	Confident	80.7	Confident	64 Å²	64	54 Å²	54	34%	0.342	30%	0.3	S	S	.	.			trans	-113.6	-7.1	-167.6	61.8	28.8	0	0	0	114.3	L583 R584 I635 L1018	L583-N1020 VanDerWaalsContact C-CB 3.42Å; L583-N1020 HydrophobicContact CB-CB 4.09Å; L583-N1020 VanDerWaalsContact O-CB 3.29Å; L583-N1020 WeakPolarHBondContact O-CB 3.45Å; R584-N1020 HydrophobicContact CB-CB 4.3Å; R584-N1020 HydrophobicContact CG-CB 3.81Å; I635-N1020 PolarHBondContact N-O 2.52Å; L1018-N1020 PolarHBondContact O-N 3.43Å
1021	G	88.3	Confident	81.2	Confident	9 Å²	9	58.8 Å²	58.8	9%	0.093	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155	173.4	179	0	0	0	0	0	112.8	F633 F1019	F633-G1021 CarbonylContact O-C 3.5Å; F633-G1021 WeakPolarHBondContact O-CA 3.48Å; F1019-G1021 VanDerWaalsContact CE1-O 3.25Å; F1019-G1021 WeakPolarHBondContact CE1-O 3.49Å; F1019-G1021 WeakPolarHBondContact CZ-O 3.38Å
1022	W	90.6	Very high	82.3	Confident	15 Å²	15	54.7 Å²	54.7	6%	0.057	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.8	-177.1	175.2	79.6	0	0	0	110.2	F415 L482 G632 F633 F1019 G1024 Y1080	F415-W1022 HydrophobicContact CB-CH2 3.44Å; F415-W1022 VanDerWaalsContact CB-CH2 3.44Å; F415-W1022 HydrophobicContact CB-CZ2 3.72Å; F415-W1022 HydrophobicContact CD1-CH2 4.23Å; F415-W1022 HydrophobicContact CD1-CZ2 4.23Å; F415-W1022 AromaticContact CD2-CH2 3.45Å; F415-W1022 HydrophobicContact CD2-CH2 3.45Å; F415-W1022 VanDerWaalsContact CD2-CH2 3.45Å; F415-W1022 HydrophobicContact CD2-CZ2 4.25Å; F415-W1022 HydrophobicContact CD2-CZ3 4.34Å; F415-W1022 HydrophobicContact CE2-CH2 4.24Å; F415-W1022 AromaticContact CG-CH2 3.45Å; F415-W1022 HydrophobicContact CG-CH2 3.45Å; F415-W1022 VanDerWaalsContact CG-CH2 3.45Å; F415-W1022 AromaticContact CG-CZ2 3.83Å; F415-W1022 HydrophobicContact CG-CZ2 3.83Å; L482-W1022 HydrophobicContact CD1-CE3 4.31Å; L482-W1022 HydrophobicContact CD1-CH2 4.21Å; L482-W1022 HydrophobicContact CD1-CZ3 4Å; L482-W1022 HydrophobicContact CD2-CH2 4.21Å; L482-W1022 HydrophobicContact CD2-CZ2 3.99Å; G632-W1022 CarbonylContact C-O 3.55Å; G632-W1022 WeakPolarHBondContact CA-O 3.48Å; F633-W1022 HydrophobicContact CD1-CB 4.27Å; F633-W1022 AromaticContact CD1-CE3 4Å; F633-W1022 HydrophobicContact CD1-CE3 4Å; F633-W1022 HydrophobicContact CE1-CB 3.67Å; F633-W1022 HydrophobicContact CE1-CD2 4.29Å; F633-W1022 AromaticContact CE1-CE3 3.75Å; F633-W1022 HydrophobicContact CE1-CE3 3.75Å; F633-W1022 HydrophobicContact CE1-CG 4.32Å; F633-W1022 HydrophobicContact CE2-CB 4.47Å; F633-W1022 HydrophobicContact CZ-CB 3.79Å; F633-W1022 PolarHBondContact N-O 2.84Å; F633-W1022 PolarHBondContact O-N 2.89Å; F1019-W1022 HydrophobicContact CE1-CB 3.95Å; F1019-W1022 HydrophobicContact CZ-CB 3.77Å; W1022-G1024 VanDerWaalsContact CH2-CA 3.46Å; W1022-Y1080 HydrophobicContact CZ2-CD1 4.18Å; W1022-Y1080 AromaticContact NE1-CD1 3.55Å; W1022-Y1080 AromaticContact NE1-CE1 3.64Å
1023	S	93.5	Very high	84	Confident	22 Å²	22	49.1 Å²	49.1	15%	0.154	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.3	172.9	-177.6	0	0	0	0	110.3	P630 I1025	P630-S1023 WeakPolarHBondContact O-CB 3.39Å; P630-S1023 PolarHBondContact O-OG 2.81Å; S1023-I1025 PolarHBondContact O-N 2.84Å; S1023-I1025 PolarHBondContact OG-N 2.91Å; S1023-I1025 PolarHBondContact OG-O 3.42Å
1024	G	93	Very high	85.6	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-75.3	-8.6	172.8	0	0	0	0	0	113.5	F415 V631 W1022 F1079 Y1080	F415-G1024 WeakPolarHBondContact CE1-O 3.18Å; F415-G1024 VanDerWaalsContact CZ-CA 3.49Å; F415-G1024 WeakPolarHBondContact CZ-O 3.38Å; V631-G1024 PolarHBondContact O-N 2.9Å; W1022-G1024 VanDerWaalsContact CH2-CA 3.46Å; G1024-F1079 WeakPolarHBondContact O-CA 3.26Å; G1024-Y1080 PolarHBondContact O-N 3.49Å
1025	I	95.2	Very high	87.2	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.041	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-119.2	137.6	172.6	64.4	175.1	0	0	0	111.4	P630 V631 S1023 K1027 L1029 L1078 F1079	P630-I1025 HydrophobicContact CB-CD1 3.65Å; P630-I1025 HydrophobicContact CB-CG1 4.03Å; P630-I1025 HydrophobicContact CG-CD1 3.68Å; P630-I1025 HydrophobicContact CG-CG1 3.67Å; V631-I1025 HydrophobicContact CB-CG1 4.41Å; V631-I1025 HydrophobicContact CB-CG2 4.28Å; V631-I1025 HydrophobicContact CG2-CD1 4.11Å; V631-I1025 HydrophobicContact CG2-CG1 4.34Å; V631-I1025 HydrophobicContact CG2-CG2 4.14Å; S1023-I1025 PolarHBondContact O-N 2.84Å; S1023-I1025 PolarHBondContact OG-N 2.91Å; S1023-I1025 PolarHBondContact OG-O 3.42Å; I1025-K1027 VanDerWaalsContact C-N 3.26Å; I1025-K1027 WeakPolarHBondContact CD1-O 3.34Å; I1025-K1027 PolarHBondContact O-N 2.82Å; I1025-L1029 HydrophobicContact CD1-CG 4.34Å; I1025-L1078 CarbonylContact C-O 3.36Å; I1025-L1078 WeakPolarHBondContact CA-O 3.34Å; I1025-L1078 HydrophobicContact CB-CD1 4.31Å; I1025-L1078 WeakPolarHBondContact CB-O 3.25Å; I1025-F1079 HydrophobicContact CG2-CD1 3.94Å; I1025-F1079 HydrophobicContact CG2-CE1 4.15Å
1026	T	93.7	Very high	88.7	Confident	89 Å²	89	42 Å²	42	55%	0.546	24%	0.236	S	C	.	.	S	Bend	trans	-75.4	-18.3	-176.3	58.9	0	0	0	0	112.9	H1077 L1078	T1026-H1077 VanDerWaalsContact CG2-O 3.26Å; T1026-H1077 WeakPolarHBondContact CG2-O 3.33Å; T1026-H1077 PolarHBondContact OG1-O 2.9Å; T1026-L1078 PolarHBondContact N-O 2.98Å; T1026-L1078 PolarHBondContact OG1-O 3.44Å
1027	K	93.2	Very high	90.3	Very high	156 Å²	156	39.4 Å²	39.4	68%	0.678	21%	0.214	S	C	*	.	S	Bend	trans	-147.1	135.1	-179.2	-172.9	178.9	179.1	179.1	0	110.4	I1025 L1029	I1025-K1027 VanDerWaalsContact C-N 3.26Å; I1025-K1027 WeakPolarHBondContact CD1-O 3.34Å; I1025-K1027 PolarHBondContact O-N 2.82Å; K1027-L1029 PolarHBondContact O-N 3.08Å
1028	C	95.2	Very high	91.8	Very high	55 Å²	55	32.3 Å²	32.3	37%	0.372	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-55.2	136.7	171.6	-61.9	0	0	0	0	110.8
1029	L	96.6	Very high	92.9	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.042	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-67.9	152.9	171.8	-60.2	-179.1	0	0	0	110	G545 I1025 K1027 I1033 L1035 F1059 I1073 L1078	G545-L1029 WeakPolarHBondContact O-CB 3.46Å; G545-L1029 PolarHBondContact O-N 2.73Å; I1025-L1029 HydrophobicContact CD1-CG 4.34Å; K1027-L1029 PolarHBondContact O-N 3.08Å; L1029-I1033 HydrophobicContact CB-CB 4.41Å; L1029-I1033 HydrophobicContact CB-CG2 4.39Å; L1029-I1033 HydrophobicContact CD1-CG2 4.03Å; L1029-L1035 HydrophobicContact CD1-CB 3.87Å; L1029-F1059 HydrophobicContact CD1-CD1 4.15Å; L1029-F1059 HydrophobicContact CD1-CE1 3.74Å; L1029-F1059 HydrophobicContact CD2-CE1 4.26Å; L1029-I1073 HydrophobicContact CD2-CG2 4.29Å; L1029-L1078 HydrophobicContact CD2-CD1 4.03Å; L1029-L1078 HydrophobicContact CD2-CD2 4.07Å
1030	P	94	Very high	93.5	Very high	49 Å²	49	30.6 Å²	30.6	32%	0.318	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-52.6	142.7	168.8	-24.8	34.8	0	0	0	111.1	W546 N1032 I1033 T1071	W546-P1030 PolarHBondContact NE1-O 2.88Å; P1030-N1032 WeakPolarHBondContact CB-OD1 3.26Å; P1030-N1032 PolarHBondContact O-N 2.83Å; P1030-I1033 HydrophobicContact CB-CG1 4.23Å; P1030-I1033 HydrophobicContact CG-CG1 4.35Å; P1030-I1033 PolarHBondContact O-N 2.91Å; P1030-T1071 HydrophobicContact CB-CG2 4.14Å; P1030-T1071 HydrophobicContact CG-CG2 3.88Å
1031	N	89.9	Confident	93.8	Very high	106 Å²	106	28.6 Å²	28.6	57%	0.567	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.9	-176.4	-76.2	-24	0	0	0	114.3	W546	W546-N1031 WeakPolarHBondContact CZ2-O 3.44Å
1032	N	92.3	Very high	93.7	Very high	24 Å²	24	29.5 Å²	29.5	13%	0.128	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.2	177.1	70.8	-74.3	0	0	0	113.7	P1030 N1061 L1062 H1063 T1071	P1030-N1032 WeakPolarHBondContact CB-OD1 3.26Å; P1030-N1032 PolarHBondContact O-N 2.83Å; N1032-N1061 PolarHBondContact ND2-OD1 3.37Å; N1032-N1061 CarbonylContact O-C 3.58Å; N1032-N1061 WeakPolarHBondContact O-CA 3.43Å; N1032-L1062 WeakPolarHBondContact O-CB 3.29Å; N1032-L1062 WeakPolarHBondContact O-CG 3.47Å; N1032-L1062 PolarHBondContact O-N 3.28Å; N1032-H1063 VanDerWaalsContact CB-CE1 3.42Å; N1032-H1063 WeakPolarHBondContact CB-CE1 3.49Å; N1032-H1063 WeakPolarHBondContact CB-NE2 3.48Å; N1032-H1063 PolarHBondContact ND2-CE1 3.11Å; N1032-H1063 PolarHBondContact ND2-ND1 3.05Å; N1032-T1071 PolarHBondContact ND2-OG1 2.7Å
1033	I	95.9	Very high	93.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.1	179	-64.5	-53.7	0	0	0	109.7	W546 L1029 P1030 F1059 E1060 N1061 T1071 I1073 I1132	W546-I1033 VanDerWaalsContact CE2-O 3.26Å; W546-I1033 WeakPolarHBondContact CZ2-O 3.28Å; W546-I1033 PolarHBondContact NE1-O 3.14Å; L1029-I1033 HydrophobicContact CB-CB 4.41Å; L1029-I1033 HydrophobicContact CB-CG2 4.39Å; L1029-I1033 HydrophobicContact CD1-CG2 4.03Å; P1030-I1033 HydrophobicContact CB-CG1 4.23Å; P1030-I1033 HydrophobicContact CG-CG1 4.35Å; P1030-I1033 PolarHBondContact O-N 2.91Å; I1033-F1059 HydrophobicContact CG2-CB 4.26Å; I1033-F1059 HydrophobicContact CG2-CD1 3.68Å; I1033-F1059 HydrophobicContact CG2-CE1 4.47Å; I1033-F1059 HydrophobicContact CG2-CG 4.32Å; I1033-E1060 WeakPolarHBondContact CA-O 3.49Å; I1033-N1061 HydrophobicContact CD1-CB 3.96Å; I1033-T1071 HydrophobicContact CD1-CG2 3.93Å; I1033-T1071 HydrophobicContact CG1-CG2 3.64Å; I1033-I1073 HydrophobicContact CB-CD1 4.46Å; I1033-I1073 HydrophobicContact CG1-CD1 4.17Å; I1033-I1073 HydrophobicContact CG2-CD1 3.65Å; I1033-I1132 HydrophobicContact CD1-CB 3.98Å; I1033-I1132 HydrophobicContact CD1-CG1 4.28Å; I1033-I1132 HydrophobicContact CD1-CG2 4.15Å
1034	N	96.3	Very high	92.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129	171.8	-177.9	33.3	0	0	0	110.3	Y150 W546 Q997 L1036 F1059 E1060 L1062	Y150-N1034 PolarHBondContact OH-ND2 2.69Å; W546-N1034 HydrophobicContact CH2-CB 4.32Å; W546-N1034 HydrophobicContact CZ2-CB 4.09Å; Q997-N1034 PolarHBondContact OE1-ND2 3.04Å; N1034-L1036 PolarHBondContact O-N 3.05Å; N1034-F1059 WeakPolarHBondContact O-CA 3.37Å; N1034-E1060 HydrophobicContact CB-CB 4.24Å; N1034-E1060 PolarHBondContact N-O 3.1Å; N1034-E1060 PolarHBondContact O-N 2.72Å; N1034-L1062 HydrophobicContact CB-CD1 4.19Å; N1034-L1062 HydrophobicContact CB-CD2 3.88Å; N1034-L1062 HydrophobicContact CB-CG 4.11Å
1035	L	97.6	Very high	92.1	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	99.4	167.7	-180	64.4	0	0	0	108.1	V631 L1029 L1038 V1057 F1059	V631-L1035 HydrophobicContact CG2-CD2 3.56Å; L1029-L1035 HydrophobicContact CD1-CB 3.87Å; L1035-L1038 HydrophobicContact CD1-CB 4.33Å; L1035-L1038 HydrophobicContact CD2-CB 4.3Å; L1035-L1038 HydrophobicContact CD2-CD2 4.23Å; L1035-V1057 HydrophobicContact CD1-CG2 3.67Å; L1035-F1059 HydrophobicContact CD1-CD1 4.14Å; L1035-F1059 HydrophobicContact CD1-CE1 3.66Å; L1035-F1059 HydrophobicContact CD1-CZ 4.23Å
1036	L	96.7	Very high	91.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-47.6	-171.1	-167.6	80.4	0	0	0	112.1	Y150 V151 I154 R1001 N1034 R1058 I1137	Y150-L1036 HydrophobicContact CD2-CD1 4.4Å; Y150-L1036 HydrophobicContact CE2-CD1 3.36Å; Y150-L1036 HydrophobicContact CE2-CD2 4.4Å; Y150-L1036 HydrophobicContact CE2-CG 4.5Å; Y150-L1036 VanDerWaalsContact OH-CD1 3.26Å; Y150-L1036 WeakPolarHBondContact OH-CD1 3.29Å; V151-L1036 HydrophobicContact CG2-CD1 3.47Å; V151-L1036 VanDerWaalsContact CG2-CD1 3.47Å; V151-L1036 HydrophobicContact CG2-CG 4.1Å; I154-L1036 HydrophobicContact CD1-CD2 3.81Å; R1001-L1036 PolarHBondContact NH2-O 2.92Å; N1034-L1036 PolarHBondContact O-N 3.05Å; L1036-R1058 HydrophobicContact CB-CB 3.82Å; L1036-R1058 WeakPolarHBondContact CB-O 3.45Å; L1036-R1058 HydrophobicContact CD2-CB 4.03Å; L1036-R1058 HydrophobicContact CG-CB 4.46Å; L1036-R1058 PolarHBondContact N-O 3.04Å; L1036-I1137 HydrophobicContact CD2-CD1 4.11Å; L1036-I1137 HydrophobicContact CD2-CG1 4.44Å; L1036-I1137 HydrophobicContact CD2-CG2 3.75Å
1037	S	96.5	Very high	89.8	Confident	7 Å²	7	35.3 Å²	35.3	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.1	179.5	-47.6	0	0	0	0	109.7	V1057 R1058	S1037-V1057 WeakPolarHBondContact O-CA 3.4Å; S1037-R1058 PolarHBondContact O-N 2.79Å; S1037-R1058 PolarHBondContact OG-NH1 2.9Å
1038	L	97.1	Very high	88.5	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	108.3	171.3	176.2	62.1	0	0	0	108.8	Q411 L414 F415 V631 L1035 I1055 V1057 F1079	Q411-L1038 HydrophobicContact CG-CB 4.32Å; Q411-L1038 HydrophobicContact CG-CD2 4.31Å; L414-L1038 HydrophobicContact CD2-CD1 3.77Å; L414-L1038 HydrophobicContact CD2-CD2 4.23Å; L414-L1038 HydrophobicContact CD2-CG 3.71Å; F415-L1038 HydrophobicContact CE2-CD2 4Å; F415-L1038 HydrophobicContact CZ-CD2 3.91Å; V631-L1038 HydrophobicContact CG1-CD2 4.27Å; L1035-L1038 HydrophobicContact CD1-CB 4.33Å; L1035-L1038 HydrophobicContact CD2-CB 4.3Å; L1035-L1038 HydrophobicContact CD2-CD2 4.23Å; L1038-I1055 HydrophobicContact CD1-CD1 4.12Å; L1038-V1057 HydrophobicContact CD1-CG2 4.48Å; L1038-F1079 HydrophobicContact CD1-CD1 4.17Å; L1038-F1079 HydrophobicContact CD1-CE1 3.57Å; L1038-F1079 HydrophobicContact CD1-CZ 3.83Å; L1038-F1079 HydrophobicContact CD2-CD1 4.03Å; L1038-F1079 HydrophobicContact CD2-CE1 3.7Å; L1038-F1079 HydrophobicContact CG-CE1 4.29Å
1039	T	93.6	Very high	87	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.4	-177	179.9	0	0	0	0	112	R436 L1043 I1055 L1056	R436-T1039 PolarHBondContact NH2-OG1 3.1Å; T1039-L1043 HydrophobicContact CG2-CD2 4.13Å; T1039-I1055 CarbonylContact O-C 3.47Å; T1039-I1055 VanDerWaalsContact O-CA 3.31Å; T1039-I1055 WeakPolarHBondContact O-CA 3.31Å; T1039-L1056 HydrophobicContact CG2-CB 3.97Å; T1039-L1056 HydrophobicContact CG2-CD2 4.27Å; T1039-L1056 HydrophobicContact CG2-CG 4.43Å; T1039-L1056 PolarHBondContact N-O 3.37Å; T1039-L1056 VanDerWaalsContact N-O 3.11Å; T1039-L1056 PolarHBondContact O-N 3.32Å
1040	S	91	Very high	85.4	Confident	17 Å²	17	41.3 Å²	41.3	12%	0.119	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	148.3	165.2	55.9	0	0	0	0	111.1	E429	E429-S1040 PolarHBondContact OE1-OG 3.44Å
1041	W	90.4	Very high	84	Confident	21 Å²	21	44.1 Å²	44.1	8%	0.08	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.1	179.3	-171	-95.6	0	0	0	112.4	T158 N162 L1043 Q1054 L1056 A1094 I1141	T158-W1041 HydrophobicContact CG2-CH2 4.48Å; T158-W1041 HydrophobicContact CG2-CZ3 4.25Å; N162-W1041 HydrophobicContact CB-CH2 4.11Å; W1041-L1043 HydrophobicContact CE3-CD2 4.37Å; W1041-L1043 HydrophobicContact CE3-CG 3.98Å; W1041-L1043 HydrophobicContact CZ3-CD1 4.16Å; W1041-L1043 HydrophobicContact CZ3-CG 3.76Å; W1041-Q1054 HydrophobicContact CB-CB 4.35Å; W1041-Q1054 PolarHBondContact N-O 3.38Å; W1041-Q1054 WeakPolarHBondContact O-CB 2.99Å; W1041-L1056 HydrophobicContact CB-CB 3.97Å; W1041-L1056 HydrophobicContact CD2-CB 4.01Å; W1041-L1056 HydrophobicContact CD2-CD2 4.4Å; W1041-L1056 HydrophobicContact CE3-CB 3.72Å; W1041-L1056 HydrophobicContact CE3-CD2 3.53Å; W1041-L1056 HydrophobicContact CE3-CG 4.19Å; W1041-L1056 HydrophobicContact CG-CB 4.15Å; W1041-L1056 HydrophobicContact CH2-CD2 4.4Å; W1041-L1056 HydrophobicContact CZ3-CD2 3.53Å; W1041-A1094 HydrophobicContact CH2-CB 3.74Å; W1041-A1094 HydrophobicContact CZ2-CB 3.82Å; W1041-A1094 WeakPolarHBondContact CZ2-O 3.37Å; W1041-A1094 HydrophobicContact CZ3-CB 4.32Å; W1041-I1141 HydrophobicContact CG-CG1 4.32Å; W1041-I1141 HydrophobicContact CZ2-CD1 4.47Å
1042	P	86.3	Confident	83.1	Confident	28 Å²	28	44.9 Å²	44.9	18%	0.182	23%	0.231	C	C	.	.	S	Bend	cis	-67.3	157.2	-9.6	31.6	-37.6	0	0	0	112.9	Y1044 P1049	P1042-Y1044 PolarHBondContact O-N 3.02Å; P1042-P1049 HydrophobicContact CG-CB 3.9Å; P1042-P1049 HydrophobicContact CG-CG 3.47Å; P1042-P1049 VanDerWaalsContact CG-CG 3.47Å
1043	L	88.3	Confident	82.9	Confident	9 Å²	9	46.7 Å²	46.7	5%	0.047	24%	0.241	C	C	.	.			trans	-66.7	130.6	174.1	-52	175.2	0	0	0	109.4	Y159 N162 Q166 T1039 W1041 V1045	Y159-L1043 HydrophobicContact CD2-CD1 4Å; N162-L1043 PolarHBondContact ND2-O 3.11Å; Q166-L1043 PolarHBondContact NE2-O 2.93Å; T1039-L1043 HydrophobicContact CG2-CD2 4.13Å; W1041-L1043 HydrophobicContact CE3-CD2 4.37Å; W1041-L1043 HydrophobicContact CE3-CG 3.98Å; W1041-L1043 HydrophobicContact CZ3-CD1 4.16Å; W1041-L1043 HydrophobicContact CZ3-CG 3.76Å; L1043-V1045 HydrophobicContact CB-CG2 4.18Å; L1043-V1045 PolarHBondContact O-N 2.83Å
1044	Y	77.7	Confident	82.8	Confident	82 Å²	82	48.3 Å²	48.3	32%	0.322	25%	0.249	S	C	.	.			trans	-73.1	95.3	172.8	176.3	-139.9	0	0	0	110.4	E429 N433 P1042 D1047 K1048	E429-Y1044 WeakPolarHBondContact OE2-CB 3.46Å; N433-Y1044 PolarHBondContact ND2-O 2.83Å; P1042-Y1044 PolarHBondContact O-N 3.02Å; Y1044-D1047 VanDerWaalsContact CD2-C 3.43Å; Y1044-D1047 WeakPolarHBondContact CD2-O 3.05Å; Y1044-K1048 HydrophobicContact CD2-CB 4.16Å; Y1044-K1048 VanDerWaalsContact CE2-CA 3.48Å; Y1044-K1048 HydrophobicContact CE2-CB 3.87Å
1045	V	77.3	Confident	82.8	Confident	6 Å²	6	48.3 Å²	48.3	4%	0.036	25%	0.249	C	C	.	.	S	Bend	trans	-104.6	-43.1	177.6	-172.4	0	0	0	0	111.8	Y110 Y159 N162 L163 L1043	Y110-V1045 HydrophobicContact CE2-CG1 4.21Å; Y110-V1045 PolarHBondContact OH-O 3.38Å; Y159-V1045 HydrophobicContact CD2-CG2 4.36Å; Y159-V1045 HydrophobicContact CE1-CG1 3.86Å; Y159-V1045 HydrophobicContact CE1-CG2 4.18Å; Y159-V1045 HydrophobicContact CE2-CG2 3.85Å; N162-V1045 WeakPolarHBondContact ND2-CG2 3.24Å; L163-V1045 HydrophobicContact CB-CG1 4.13Å; L163-V1045 HydrophobicContact CD1-CG1 3.74Å; L163-V1045 HydrophobicContact CG-CG1 4.44Å; L1043-V1045 HydrophobicContact CB-CG2 4.18Å; L1043-V1045 PolarHBondContact O-N 2.83Å
1046	V	72.7	Confident	82.7	Confident	31 Å²	31	48.2 Å²	48.2	19%	0.188	25%	0.248	C	C	.	.	S	Bend	trans	-114.5	-69.9	-174.3	-174.8	0	0	0	0	111.9	Y110 L163 Q166 L167	Y110-V1046 HydrophobicContact CE2-CG2 4.24Å; L163-V1046 HydrophobicContact CD1-CG2 3.35Å; Q166-V1046 HydrophobicContact CB-CG2 4.49Å; L167-V1046 HydrophobicContact CD2-CB 4.26Å; L167-V1046 HydrophobicContact CD2-CG1 3.79Å; L167-V1046 HydrophobicContact CD2-CG2 3.65Å; L167-V1046 HydrophobicContact CG-CG2 4.06Å
1047	D	68.3	Low	82.8	Confident	128 Å²	128	48.2 Å²	48.2	68%	0.684	25%	0.248	S	C	*	.	S	Bend	trans	-117.2	143.8	-179.6	-70.3	-43.1	0	0	0	108.8	Y1044 P1049	Y1044-D1047 VanDerWaalsContact CD2-C 3.43Å; Y1044-D1047 WeakPolarHBondContact CD2-O 3.05Å; D1047-P1049 WeakPolarHBondContact O-CD 3.45Å; D1047-P1049 VanDerWaalsContact O-N 3.07Å
1048	K	64.6	Low	82.9	Confident	127 Å²	127	48 Å²	48	55%	0.552	25%	0.246	S	C	*	.			trans	-67.2	111.9	179.3	-175.5	170.3	175.5	170.1	0	107	D427 Y1044	D427-K1048 WeakPolarHBondContact OD2-CE 3.33Å; D427-K1048 IonicContact OD2-NZ 3.63Å; D427-K1048 PolarHBondContact OD2-NZ 2.86Å; Y1044-K1048 HydrophobicContact CD2-CB 4.16Å; Y1044-K1048 VanDerWaalsContact CE2-CA 3.48Å; Y1044-K1048 HydrophobicContact CE2-CB 3.87Å
1049	P	63.5	Low	82.9	Confident	45 Å²	45	47.9 Å²	47.9	29%	0.292	25%	0.245	S	C	.	.			trans	-64.9	156.2	178.6	15.8	-10.2	0	0	0	108.8	P1042 D1047 S1051	P1042-P1049 HydrophobicContact CG-CB 3.9Å; P1042-P1049 HydrophobicContact CG-CG 3.47Å; P1042-P1049 VanDerWaalsContact CG-CG 3.47Å; D1047-P1049 WeakPolarHBondContact O-CD 3.45Å; D1047-P1049 VanDerWaalsContact O-N 3.07Å; P1049-S1051 PolarHBondContact O-N 3.13Å; P1049-S1051 VanDerWaalsContact O-N 3.08Å
1050	E	63.7	Low	83	Confident	173 Å²	173	47.5 Å²	47.5	81%	0.808	24%	0.243	S	C	*	.			trans	-49.2	124.8	162.2	-73.5	-176.7	172.7	0	0	107.5	K1052	E1050-K1052 PolarHBondContact O-N 2.84Å
1051	S	63.5	Low	83.2	Confident	109 Å²	109	46.7 Å²	46.7	76%	0.762	24%	0.238	S	C	*	.			trans	-56.5	110.5	-175.6	177.9	0	0	0	0	108.6	P1049	P1049-S1051 PolarHBondContact O-N 3.13Å; P1049-S1051 VanDerWaalsContact O-N 3.08Å
1052	K	72.1	Confident	83.3	Confident	121 Å²	121	46.5 Å²	46.5	53%	0.526	24%	0.238	S	C	.	.			trans	-97.1	129.1	168.4	-64.3	-174.9	-177.2	-179.4	0	106	E1050 Q1054	E1050-K1052 PolarHBondContact O-N 2.84Å; K1052-Q1054 HydrophobicContact CB-CB 4.19Å; K1052-Q1054 HydrophobicContact CB-CG 3.91Å; K1052-Q1054 PolarHBondContact O-N 2.79Å
1053	N	87.9	Confident	83.4	Confident	62 Å²	62	48.1 Å²	48.1	33%	0.332	24%	0.243	S	C	.	.			trans	-70.8	73.9	167.2	-69.7	-16.2	0	0	0	108.1	T1143 Y1144	N1053-T1143 CarbonylContact O-C 3.51Å; N1053-T1143 WeakPolarHBondContact O-CA 3.42Å; N1053-Y1144 HydrophobicContact CB-CD1 4.19Å; N1053-Y1144 HydrophobicContact CB-CD2 3.89Å; N1053-Y1144 HydrophobicContact CB-CE1 4.02Å; N1053-Y1144 HydrophobicContact CB-CE2 3.7Å; N1053-Y1144 HydrophobicContact CB-CG 4.12Å; N1053-Y1144 WeakPolarHBondContact CB-O 3.3Å; N1053-Y1144 WeakPolarHBondContact O-CD1 3.48Å; N1053-Y1144 WeakPolarHBondContact O-CE1 3.39Å; N1053-Y1144 PolarHBondContact O-N 2.68Å
1054	Q	93.6	Very high	82.7	Confident	35 Å²	35	50.6 Å²	50.6	16%	0.164	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.7	-177.6	-76.2	-178.6	-23.8	0	0	110.8	W1041 K1052 I1141 L1142 T1143 Y1144	W1041-Q1054 HydrophobicContact CB-CB 4.35Å; W1041-Q1054 PolarHBondContact N-O 3.38Å; W1041-Q1054 WeakPolarHBondContact O-CB 2.99Å; K1052-Q1054 HydrophobicContact CB-CB 4.19Å; K1052-Q1054 HydrophobicContact CB-CG 3.91Å; K1052-Q1054 PolarHBondContact O-N 2.79Å; Q1054-I1141 HydrophobicContact CB-CG2 4.17Å; Q1054-I1141 HydrophobicContact CG-CG2 4.16Å; Q1054-L1142 CarbonylContact C-O 3.52Å; Q1054-L1142 VanDerWaalsContact CA-O 3.25Å; Q1054-L1142 WeakPolarHBondContact CA-O 3.43Å; Q1054-T1143 HydrophobicContact CG-CG2 4.19Å; Q1054-T1143 PolarHBondContact NE2-OG1 3.2Å; Q1054-Y1144 VanDerWaalsContact N-CE1 3.32Å
1055	I	95.5	Very high	82	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143	171.8	59.6	177.6	0	0	0	110.1	L414 L1038 T1039 F1079 I1082 I1084 I1141 L1142 Y1144	L414-I1055 HydrophobicContact CD1-CG2 3.61Å; L414-I1055 HydrophobicContact CD2-CG2 4Å; L414-I1055 HydrophobicContact CG-CG2 4.42Å; L1038-I1055 HydrophobicContact CD1-CD1 4.12Å; T1039-I1055 CarbonylContact O-C 3.47Å; T1039-I1055 VanDerWaalsContact O-CA 3.31Å; T1039-I1055 WeakPolarHBondContact O-CA 3.31Å; I1055-F1079 HydrophobicContact CD1-CD2 3.56Å; I1055-F1079 HydrophobicContact CD1-CE2 3.47Å; I1055-F1079 VanDerWaalsContact CD1-CE2 3.47Å; I1055-F1079 HydrophobicContact CD1-CG 4.26Å; I1055-F1079 HydrophobicContact CD1-CZ 4.09Å; I1055-I1082 HydrophobicContact CD1-CD1 4.38Å; I1055-I1084 HydrophobicContact CD1-CD1 4.37Å; I1055-I1141 WeakPolarHBondContact O-CA 3.43Å; I1055-L1142 HydrophobicContact CD1-CB 4.26Å; I1055-L1142 HydrophobicContact CD1-CD1 4.08Å; I1055-L1142 HydrophobicContact CG1-CB 3.74Å; I1055-L1142 HydrophobicContact CG1-CD1 4.32Å; I1055-L1142 HydrophobicContact CG1-CG 4.35Å; I1055-L1142 PolarHBondContact N-O 3.14Å; I1055-L1142 PolarHBondContact O-N 2.95Å; I1055-Y1144 HydrophobicContact CG2-CD1 4.05Å; I1055-Y1144 HydrophobicContact CG2-CE1 3.67Å
1056	L	97.2	Very high	81.4	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.9	166.2	172.1	62.9	0	0	0	107.8	T158 T1039 W1041 A1094 T1139	T158-L1056 HydrophobicContact CG2-CD2 4.22Å; T1039-L1056 HydrophobicContact CG2-CB 3.97Å; T1039-L1056 HydrophobicContact CG2-CD2 4.27Å; T1039-L1056 HydrophobicContact CG2-CG 4.43Å; T1039-L1056 PolarHBondContact N-O 3.37Å; T1039-L1056 VanDerWaalsContact N-O 3.11Å; T1039-L1056 PolarHBondContact O-N 3.32Å; W1041-L1056 HydrophobicContact CB-CB 3.97Å; W1041-L1056 HydrophobicContact CD2-CB 4.01Å; W1041-L1056 HydrophobicContact CD2-CD2 4.4Å; W1041-L1056 HydrophobicContact CE3-CB 3.72Å; W1041-L1056 HydrophobicContact CE3-CD2 3.53Å; W1041-L1056 HydrophobicContact CE3-CG 4.19Å; W1041-L1056 HydrophobicContact CG-CB 4.15Å; W1041-L1056 HydrophobicContact CH2-CD2 4.4Å; W1041-L1056 HydrophobicContact CZ3-CD2 3.53Å; L1056-A1094 HydrophobicContact CD1-CB 3.64Å; L1056-A1094 HydrophobicContact CD2-CB 4.19Å; L1056-T1139 HydrophobicContact CD1-CG2 3.47Å; L1056-T1139 VanDerWaalsContact CD1-CG2 3.47Å
1057	V	98.1	Very high	80.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.2	175.9	67.8	0	0	0	0	110.7	L1035 S1037 L1038 F1059 F1079 Y1140 L1142	L1035-V1057 HydrophobicContact CD1-CG2 3.67Å; S1037-V1057 WeakPolarHBondContact O-CA 3.4Å; L1038-V1057 HydrophobicContact CD1-CG2 4.48Å; V1057-F1059 HydrophobicContact CB-CE2 4.34Å; V1057-F1059 HydrophobicContact CG1-CD2 4.46Å; V1057-F1059 HydrophobicContact CG1-CE2 3.87Å; V1057-F1059 HydrophobicContact CG2-CD2 4.08Å; V1057-F1059 HydrophobicContact CG2-CE1 4.14Å; V1057-F1059 HydrophobicContact CG2-CE2 3.48Å; V1057-F1059 VanDerWaalsContact CG2-CE2 3.48Å; V1057-F1059 HydrophobicContact CG2-CZ 3.52Å; V1057-F1079 HydrophobicContact CG2-CZ 4.13Å; V1057-Y1140 PolarHBondContact N-O 2.76Å; V1057-Y1140 PolarHBondContact O-N 3.25Å; V1057-L1142 HydrophobicContact CG1-CD1 3.63Å; V1057-L1142 HydrophobicContact CG1-CG 3.92Å
1058	R	98.4	Very high	80.7	Confident	3 Å²	3	56.2 Å²	56.2	1%	0.011	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.8	172.6	-67	-175	-175	95.6	-0.2	110	D155 T158 L1036 S1037 L1092 I1137 I1138 T1139	D155-R1058 IonicContact OD1-NH1 3.44Å; T158-R1058 PolarHBondContact OG1-NH2 3.29Å; L1036-R1058 HydrophobicContact CB-CB 3.82Å; L1036-R1058 WeakPolarHBondContact CB-O 3.45Å; L1036-R1058 HydrophobicContact CD2-CB 4.03Å; L1036-R1058 HydrophobicContact CG-CB 4.46Å; L1036-R1058 PolarHBondContact N-O 3.04Å; S1037-R1058 PolarHBondContact O-N 2.79Å; S1037-R1058 PolarHBondContact OG-NH1 2.9Å; R1058-L1092 VanDerWaalsContact CZ-O 3.25Å; R1058-L1092 PolarHBondContact NE-O 2.85Å; R1058-L1092 PolarHBondContact NH2-O 2.7Å; R1058-I1137 HydrophobicContact CB-CG2 4.39Å; R1058-I1138 WeakPolarHBondContact CA-O 3.37Å; R1058-T1139 HydrophobicContact CG-CG2 3.97Å; R1058-T1139 PolarHBondContact NE-OG1 3.45Å
1059	F	97.9	Very high	81.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.7	173.3	-65.2	-72.8	0	0	0	109.7	L1029 I1033 N1034 L1035 V1057 I1073 L1078 F1079 L1130 I1132 I1137 I1138	L1029-F1059 HydrophobicContact CD1-CD1 4.15Å; L1029-F1059 HydrophobicContact CD1-CE1 3.74Å; L1029-F1059 HydrophobicContact CD2-CE1 4.26Å; I1033-F1059 HydrophobicContact CG2-CB 4.26Å; I1033-F1059 HydrophobicContact CG2-CD1 3.68Å; I1033-F1059 HydrophobicContact CG2-CE1 4.47Å; I1033-F1059 HydrophobicContact CG2-CG 4.32Å; N1034-F1059 WeakPolarHBondContact O-CA 3.37Å; L1035-F1059 HydrophobicContact CD1-CD1 4.14Å; L1035-F1059 HydrophobicContact CD1-CE1 3.66Å; L1035-F1059 HydrophobicContact CD1-CZ 4.23Å; V1057-F1059 HydrophobicContact CB-CE2 4.34Å; V1057-F1059 HydrophobicContact CG1-CD2 4.46Å; V1057-F1059 HydrophobicContact CG1-CE2 3.87Å; V1057-F1059 HydrophobicContact CG2-CD2 4.08Å; V1057-F1059 HydrophobicContact CG2-CE1 4.14Å; V1057-F1059 HydrophobicContact CG2-CE2 3.48Å; V1057-F1059 VanDerWaalsContact CG2-CE2 3.48Å; V1057-F1059 HydrophobicContact CG2-CZ 3.52Å; F1059-I1073 HydrophobicContact CD1-CD1 4.03Å; F1059-I1073 HydrophobicContact CD2-CD1 4.4Å; F1059-I1073 HydrophobicContact CE1-CD1 4.23Å; F1059-I1073 HydrophobicContact CG-CD1 4.11Å; F1059-L1078 HydrophobicContact CZ-CD2 4.09Å; F1059-F1079 HydrophobicContact CZ-CZ 4.48Å; F1059-L1130 HydrophobicContact CD2-CD1 4.09Å; F1059-L1130 HydrophobicContact CE2-CD1 3.62Å; F1059-I1132 HydrophobicContact CB-CD1 3.92Å; F1059-I1132 HydrophobicContact CB-CG1 4.1Å; F1059-I1132 HydrophobicContact CB-CG2 4.34Å; F1059-I1132 HydrophobicContact CD2-CD1 4.24Å; F1059-I1132 HydrophobicContact CG-CD1 4.39Å; F1059-I1137 CarbonylContact O-C 3.54Å; F1059-I1137 WeakPolarHBondContact O-CA 3.33Å; F1059-I1138 PolarHBondContact N-O 3.42Å; F1059-I1138 PolarHBondContact O-N 2.87Å
1060	E	96.1	Very high	82.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.9	171.4	-174.7	-178.8	-140.7	0	0	110.3	Y150 R870 R993 I1033 N1034 L1062 K1136 I1137	Y150-E1060 PolarHBondContact OH-OE2 2.9Å; Y150-E1060 VanDerWaalsContact OH-OE2 3.06Å; R870-E1060 IonicContact NE-OE1 2.87Å; R870-E1060 PolarHBondContact NE-OE1 2.86Å; R870-E1060 VanDerWaalsContact NE-OE1 3.16Å; R993-E1060 IonicContact CZ-OE1 3.37Å; R993-E1060 IonicContact NH2-OE1 3.1Å; R993-E1060 PolarHBondContact NH2-OE1 3.4Å; R993-E1060 IonicContact NH2-OE2 2.77Å; R993-E1060 PolarHBondContact NH2-OE2 3.3Å; I1033-E1060 WeakPolarHBondContact CA-O 3.49Å; N1034-E1060 HydrophobicContact CB-CB 4.24Å; N1034-E1060 PolarHBondContact N-O 3.1Å; N1034-E1060 PolarHBondContact O-N 2.72Å; E1060-L1062 HydrophobicContact CG-CD2 4.19Å; E1060-L1062 WeakPolarHBondContact OE2-CD2 3.47Å; E1060-K1136 WeakPolarHBondContact CA-O 3.2Å; E1060-I1137 HydrophobicContact CB-CG1 3.99Å; E1060-I1137 HydrophobicContact CG-CG1 3.77Å
1061	N	94.6	Very high	83.8	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115.6	169.7	-164.8	-24	0	0	0	110.2	N1032 I1033 H1063 T1071 I1132 P1133 D1135 K1136	N1032-N1061 PolarHBondContact ND2-OD1 3.37Å; N1032-N1061 CarbonylContact O-C 3.58Å; N1032-N1061 WeakPolarHBondContact O-CA 3.43Å; I1033-N1061 HydrophobicContact CD1-CB 3.96Å; N1061-H1063 VanDerWaalsContact C-N 3.29Å; N1061-H1063 PolarHBondContact O-N 2.92Å; N1061-H1063 WeakPolarHBondContact OD1-CB 3.29Å; N1061-H1063 PolarHBondContact OD1-N 2.94Å; N1061-H1063 VanDerWaalsContact OD1-N 3.11Å; N1061-T1071 PolarHBondContact ND2-OG1 2.87Å; N1061-I1132 HydrophobicContact CB-CG2 3.81Å; N1061-I1132 PolarHBondContact ND2-O 2.95Å; N1061-P1133 WeakPolarHBondContact CB-O 3.43Å; N1061-D1135 WeakPolarHBondContact O-CA 3.42Å; N1061-D1135 PolarHBondContact O-N 3.19Å; N1061-D1135 VanDerWaalsContact O-N 3.08Å; N1061-K1136 PolarHBondContact N-O 3.26Å; N1061-K1136 VanDerWaalsContact N-O 3.09Å
1062	L	92.6	Very high	85.3	Confident	16 Å²	16	52 Å²	52	8%	0.084	26%	0.256	C	S	.	.			trans	-78.1	-10.1	-177.2	-55.8	-175.6	0	0	0	113.5	W546 R993 N1032 N1034 E1060	W546-L1062 HydrophobicContact CH2-CD1 3.55Å; W546-L1062 HydrophobicContact CZ2-CD1 3.66Å; R993-L1062 HydrophobicContact CB-CB 4.03Å; R993-L1062 HydrophobicContact CB-CD1 4.11Å; R993-L1062 HydrophobicContact CB-CD2 4.14Å; R993-L1062 HydrophobicContact CB-CG 4.33Å; R993-L1062 VanDerWaalsContact CD-O 3.29Å; R993-L1062 WeakPolarHBondContact CD-O 3.12Å; N1032-L1062 WeakPolarHBondContact O-CB 3.29Å; N1032-L1062 WeakPolarHBondContact O-CG 3.47Å; N1032-L1062 PolarHBondContact O-N 3.28Å; N1034-L1062 HydrophobicContact CB-CD1 4.19Å; N1034-L1062 HydrophobicContact CB-CD2 3.88Å; N1034-L1062 HydrophobicContact CB-CG 4.11Å; E1060-L1062 HydrophobicContact CG-CD2 4.19Å; E1060-L1062 WeakPolarHBondContact OE2-CD2 3.47Å
1063	H	87	Confident	86.4	Confident	63 Å²	63	46.6 Å²	46.6	29%	0.292	23%	0.233	S	C	.	.	S	Bend	trans	-64.2	146.4	172.6	-68.7	155.1	0	0	0	111.8	N1032 N1061 N1067 P1134 D1135	N1032-H1063 VanDerWaalsContact CB-CE1 3.42Å; N1032-H1063 WeakPolarHBondContact CB-CE1 3.49Å; N1032-H1063 WeakPolarHBondContact CB-NE2 3.48Å; N1032-H1063 PolarHBondContact ND2-CE1 3.11Å; N1032-H1063 PolarHBondContact ND2-ND1 3.05Å; N1061-H1063 VanDerWaalsContact C-N 3.29Å; N1061-H1063 PolarHBondContact O-N 2.92Å; N1061-H1063 WeakPolarHBondContact OD1-CB 3.29Å; N1061-H1063 PolarHBondContact OD1-N 2.94Å; N1061-H1063 VanDerWaalsContact OD1-N 3.11Å; H1063-N1067 HydrophobicContact CB-CB 4.09Å; H1063-N1067 PolarHBondContact CE1-ND2 2.81Å; H1063-N1067 PolarHBondContact ND1-ND2 3.02Å; H1063-N1067 VanDerWaalsContact ND1-ND2 3.15Å; H1063-P1134 HydrophobicContact CB-CB 4.3Å; H1063-D1135 PolarHBondContact O-N 2.85Å
1064	T	73.8	Confident	86.8	Confident	61 Å²	61	48 Å²	48	37%	0.374	24%	0.241	S	C	.	.			trans	-73.7	164.6	169.6	61.1	0	0	0	0	111	D1066 N1067	T1064-D1066 PolarHBondContact O-N 3.19Å; T1064-D1066 VanDerWaalsContact O-N 3.1Å; T1064-D1066 PolarHBondContact OG1-OD2 3.37Å; T1064-N1067 PolarHBondContact O-N 3.1Å
1065	L	64.4	Low	87	Confident	68 Å²	68	46.3 Å²	46.3	36%	0.356	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.9	178.5	-71.7	166.4	0	0	0	114	N1067 D1135	L1065-N1067 PolarHBondContact O-N 2.83Å; L1065-D1135 HydrophobicContact CD2-CB 4.43Å; L1065-D1135 HydrophobicContact CG-CB 4.26Å
1066	D	63.4	Low	87	Confident	94 Å²	94	46.5 Å²	46.5	50%	0.503	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.5	175.1	-48	-51.7	0	0	0	111.8	T230 T1064	T230-D1066 PolarHBondContact OG1-OD1 2.84Å; T1064-D1066 PolarHBondContact O-N 3.19Å; T1064-D1066 VanDerWaalsContact O-N 3.1Å; T1064-D1066 PolarHBondContact OG1-OD2 3.37Å
1067	N	61.2	Low	86.8	Confident	57 Å²	57	51.3 Å²	51.3	31%	0.305	26%	0.257	S	S	.	.			trans	-99.1	85	172.9	-165.2	-6.3	0	0	0	110.4	H1063 T1064 L1065 K1069 P1134	H1063-N1067 HydrophobicContact CB-CB 4.09Å; H1063-N1067 PolarHBondContact CE1-ND2 2.81Å; H1063-N1067 PolarHBondContact ND1-ND2 3.02Å; H1063-N1067 VanDerWaalsContact ND1-ND2 3.15Å; T1064-N1067 PolarHBondContact O-N 3.1Å; L1065-N1067 PolarHBondContact O-N 2.83Å; N1067-K1069 PolarHBondContact O-N 2.9Å; N1067-P1134 VanDerWaalsContact O-CB 3.29Å; N1067-P1134 WeakPolarHBondContact O-CB 3.29Å; N1067-P1134 VanDerWaalsContact O-CG 3.25Å; N1067-P1134 WeakPolarHBondContact O-CG 3.45Å
1068	L	65.6	Low	86.7	Confident	146 Å²	146	51.7 Å²	51.7	76%	0.764	26%	0.259	S	S	*	.			trans	-64.3	2	-176.7	-65.4	170.3	0	0	0	115.3
1069	K	76.8	Confident	86.5	Confident	159 Å²	159	51.7 Å²	51.7	69%	0.691	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-87.5	125.3	-175.1	-67.4	-174.4	-179.7	-179.8	0	111.6	N1067	N1067-K1069 PolarHBondContact O-N 2.9Å
1070	H	87.7	Confident	86.2	Confident	77 Å²	77	54.2 Å²	54.2	36%	0.356	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-62.7	138.5	165.9	-66.1	71.7	0	0	0	109.7	H1072 K1131	H1070-H1072 PolarHBondContact O-ND1 3.12Å; H1070-K1131 HydrophobicContact CB-CB 4.45Å
1071	T	93.5	Very high	85.8	Confident	20 Å²	20	54.5 Å²	54.5	12%	0.123	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.7	168.8	-57.7	0	0	0	0	108.9	P1030 N1032 I1033 N1061 I1132	P1030-T1071 HydrophobicContact CB-CG2 4.14Å; P1030-T1071 HydrophobicContact CG-CG2 3.88Å; N1032-T1071 PolarHBondContact ND2-OG1 2.7Å; I1033-T1071 HydrophobicContact CD1-CG2 3.93Å; I1033-T1071 HydrophobicContact CG1-CG2 3.64Å; N1061-T1071 PolarHBondContact ND2-OG1 2.87Å; T1071-I1132 PolarHBondContact N-O 2.86Å; T1071-I1132 PolarHBondContact O-N 2.85Å
1072	H	94.4	Very high	85.7	Confident	108 Å²	108	54.5 Å²	54.5	50%	0.5	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135	-178.7	-62.4	71.2	0	0	0	109.4	H1070 I1129 L1130	H1070-H1072 PolarHBondContact O-ND1 3.12Å; H1072-I1129 HydrophobicContact CB-CG2 4.18Å; H1072-L1130 CarbonylContact C-O 3.6Å; H1072-L1130 VanDerWaalsContact CA-O 3.3Å; H1072-L1130 WeakPolarHBondContact CA-O 3.22Å
1073	I	95.6	Very high	85.7	Confident	8 Å²	8	54.8 Å²	54.8	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.4	177	-56	169.9	0	0	0	107.1	L1029 I1033 F1059 A1075 L1078 I1129 L1130 I1132	L1029-I1073 HydrophobicContact CD2-CG2 4.29Å; I1033-I1073 HydrophobicContact CB-CD1 4.46Å; I1033-I1073 HydrophobicContact CG1-CD1 4.17Å; I1033-I1073 HydrophobicContact CG2-CD1 3.65Å; F1059-I1073 HydrophobicContact CD1-CD1 4.03Å; F1059-I1073 HydrophobicContact CD2-CD1 4.4Å; F1059-I1073 HydrophobicContact CE1-CD1 4.23Å; F1059-I1073 HydrophobicContact CG-CD1 4.11Å; I1073-A1075 PolarHBondContact O-N 3.05Å; I1073-L1078 HydrophobicContact CG2-CD2 3.97Å; I1073-I1129 WeakPolarHBondContact O-CA 3.43Å; I1073-L1130 HydrophobicContact CB-CB 4.42Å; I1073-L1130 PolarHBondContact N-O 2.96Å; I1073-L1130 PolarHBondContact O-N 3.23Å; I1073-I1132 HydrophobicContact CD1-CD1 4.39Å; I1073-I1132 HydrophobicContact CD1-CG1 3.71Å; I1073-I1132 HydrophobicContact CG1-CG1 4.42Å
1074	D	96.2	Very high	86.2	Confident	92 Å²	92	52.2 Å²	52.2	49%	0.492	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	107.2	168.1	-172.8	-11.7	0	0	0	108.5	S1076 I1129	D1074-S1076 VanDerWaalsContact OD1-CB 3.24Å; D1074-S1076 WeakPolarHBondContact OD1-CB 3.3Å; D1074-S1076 PolarHBondContact OD1-N 2.93Å; D1074-S1076 PolarHBondContact OD1-OG 3.07Å; D1074-I1129 HydrophobicContact CB-CD1 3.73Å
1075	A	96.4	Very high	87.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.			trans	-89.4	-10.2	-178.1	0	0	0	0	0	112.8	I1073 H1077 L1078 I1084 V1128 L1130	I1073-A1075 PolarHBondContact O-N 3.05Å; A1075-H1077 VanDerWaalsContact C-N 3.27Å; A1075-H1077 PolarHBondContact O-N 2.79Å; A1075-H1077 VanDerWaalsContact O-N 3.13Å; A1075-L1078 PolarHBondContact O-N 3.23Å; A1075-I1084 WeakPolarHBondContact O-CG1 3.33Å; A1075-V1128 HydrophobicContact CB-CG1 4.31Å; A1075-V1128 PolarHBondContact N-O 3.44Å; A1075-L1130 HydrophobicContact CB-CD1 3.82Å; A1075-L1130 HydrophobicContact CB-CG 3.92Å
1076	S	96.1	Very high	88.7	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.021	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-43.6	-167.8	-42.4	0	0	0	0	113.3	D1074 T1083 I1084 S1127 V1128	D1074-S1076 VanDerWaalsContact OD1-CB 3.24Å; D1074-S1076 WeakPolarHBondContact OD1-CB 3.3Å; D1074-S1076 PolarHBondContact OD1-N 2.93Å; D1074-S1076 PolarHBondContact OD1-OG 3.07Å; S1076-T1083 WeakPolarHBondContact O-CA 3.49Å; S1076-I1084 PolarHBondContact O-N 3.19Å; S1076-S1127 VanDerWaalsContact OG-CA 3.25Å; S1076-S1127 WeakPolarHBondContact OG-CA 3.36Å; S1076-V1128 PolarHBondContact OG-N 3.39Å
1077	H	94.1	Very high	90.3	Very high	103 Å²	103	48 Å²	48	48%	0.477	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	28	178.2	-57.8	-70.2	0	0	0	111.5	T1026 A1075 T1083	T1026-H1077 VanDerWaalsContact CG2-O 3.26Å; T1026-H1077 WeakPolarHBondContact CG2-O 3.33Å; T1026-H1077 PolarHBondContact OG1-O 2.9Å; A1075-H1077 VanDerWaalsContact C-N 3.27Å; A1075-H1077 PolarHBondContact O-N 2.79Å; A1075-H1077 VanDerWaalsContact O-N 3.13Å; H1077-T1083 PolarHBondContact CE1-OG1 2.92Å; H1077-T1083 PolarHBondContact ND1-OG1 3.16Å
1078	L	95.6	Very high	91.9	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.042	24%	0.238	C	C	.	.			trans	-66.9	-39.4	-175.4	175.4	62.7	0	0	0	111.8	I1025 T1026 L1029 F1059 I1073 A1075	I1025-L1078 CarbonylContact C-O 3.36Å; I1025-L1078 WeakPolarHBondContact CA-O 3.34Å; I1025-L1078 HydrophobicContact CB-CD1 4.31Å; I1025-L1078 WeakPolarHBondContact CB-O 3.25Å; T1026-L1078 PolarHBondContact N-O 2.98Å; T1026-L1078 PolarHBondContact OG1-O 3.44Å; L1029-L1078 HydrophobicContact CD2-CD1 4.03Å; L1029-L1078 HydrophobicContact CD2-CD2 4.07Å; F1059-L1078 HydrophobicContact CZ-CD2 4.09Å; I1073-L1078 HydrophobicContact CG2-CD2 3.97Å; A1075-L1078 PolarHBondContact O-N 3.23Å
1079	F	94.8	Very high	93.4	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.013	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-95.6	133.5	-176.5	-59.6	-68.2	0	0	0	110.7	F415 G1024 I1025 L1038 I1055 V1057 F1059 G1081 I1082 I1084 L1142	F415-F1079 HydrophobicContact CE1-CB 4.13Å; F415-F1079 HydrophobicContact CE1-CD1 4.46Å; F415-F1079 HydrophobicContact CZ-CD1 4.13Å; G1024-F1079 WeakPolarHBondContact O-CA 3.26Å; I1025-F1079 HydrophobicContact CG2-CD1 3.94Å; I1025-F1079 HydrophobicContact CG2-CE1 4.15Å; L1038-F1079 HydrophobicContact CD1-CD1 4.17Å; L1038-F1079 HydrophobicContact CD1-CE1 3.57Å; L1038-F1079 HydrophobicContact CD1-CZ 3.83Å; L1038-F1079 HydrophobicContact CD2-CD1 4.03Å; L1038-F1079 HydrophobicContact CD2-CE1 3.7Å; L1038-F1079 HydrophobicContact CG-CE1 4.29Å; I1055-F1079 HydrophobicContact CD1-CD2 3.56Å; I1055-F1079 HydrophobicContact CD1-CE2 3.47Å; I1055-F1079 VanDerWaalsContact CD1-CE2 3.47Å; I1055-F1079 HydrophobicContact CD1-CG 4.26Å; I1055-F1079 HydrophobicContact CD1-CZ 4.09Å; V1057-F1079 HydrophobicContact CG2-CZ 4.13Å; F1059-F1079 HydrophobicContact CZ-CZ 4.48Å; F1079-G1081 PolarHBondContact O-N 3.11Å; F1079-I1082 HydrophobicContact CB-CD1 3.73Å; F1079-I1082 HydrophobicContact CB-CG1 3.65Å; F1079-I1082 HydrophobicContact CD2-CD1 4.43Å; F1079-I1082 HydrophobicContact CG-CD1 4.42Å; F1079-I1082 PolarHBondContact O-N 3.1Å; F1079-I1084 HydrophobicContact CD2-CD1 4.23Å; F1079-L1142 HydrophobicContact CE2-CD1 3.93Å
1080	Y	90.4	Very high	94.4	Very high	53 Å²	53	34.6 Å²	34.6	21%	0.208	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	132.3	-174.2	-177.3	-101.6	0	0	0	112.6	W1022 G1024 I1082 S1150 Y1151	W1022-Y1080 HydrophobicContact CZ2-CD1 4.18Å; W1022-Y1080 AromaticContact NE1-CD1 3.55Å; W1022-Y1080 AromaticContact NE1-CE1 3.64Å; G1024-Y1080 PolarHBondContact O-N 3.49Å; Y1080-I1082 VanDerWaalsContact C-N 3.29Å; Y1080-I1082 PolarHBondContact O-N 3.39Å; Y1080-S1150 PolarHBondContact OH-O 2.82Å; Y1080-Y1151 HydrophobicContact CE1-CD1 4.29Å; Y1080-Y1151 PolarHBondContact OH-O 3.1Å
1081	G	88.5	Confident	94.8	Very high	5 Å²	5	31 Å²	31	5%	0.052	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	3.9	176.2	0	0	0	0	0	115.3	F1079 D1147 Y1151	F1079-G1081 PolarHBondContact O-N 3.11Å; G1081-D1147 PolarHBondContact O-N 2.86Å; G1081-Y1151 PolarHBondContact O-OH 2.93Å
1082	I	91.5	Very high	95	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.7	179.5	62.9	165.7	0	0	0	112	H418 I1055 F1079 Y1080 I1084 Y1144 K1145 I1146 D1147	H418-I1082 HydrophobicContact CB-CG2 4.4Å; I1055-I1082 HydrophobicContact CD1-CD1 4.38Å; F1079-I1082 HydrophobicContact CB-CD1 3.73Å; F1079-I1082 HydrophobicContact CB-CG1 3.65Å; F1079-I1082 HydrophobicContact CD2-CD1 4.43Å; F1079-I1082 HydrophobicContact CG-CD1 4.42Å; F1079-I1082 PolarHBondContact O-N 3.1Å; Y1080-I1082 VanDerWaalsContact C-N 3.29Å; Y1080-I1082 PolarHBondContact O-N 3.39Å; I1082-I1084 HydrophobicContact CD1-CD1 4.13Å; I1082-Y1144 HydrophobicContact CB-CD2 3.73Å; I1082-Y1144 HydrophobicContact CB-CE2 4.45Å; I1082-Y1144 HydrophobicContact CB-CG 4.15Å; I1082-Y1144 HydrophobicContact CD1-CD1 4.01Å; I1082-Y1144 HydrophobicContact CD1-CD2 3.99Å; I1082-Y1144 HydrophobicContact CD1-CG 3.71Å; I1082-Y1144 HydrophobicContact CG1-CD2 4.48Å; I1082-Y1144 HydrophobicContact CG2-CD2 3.47Å; I1082-Y1144 VanDerWaalsContact CG2-CD2 3.47Å; I1082-Y1144 HydrophobicContact CG2-CE2 3.71Å; I1082-Y1144 HydrophobicContact CG2-CG 4.29Å; I1082-K1145 VanDerWaalsContact CA-O 3.32Å; I1082-K1145 WeakPolarHBondContact CA-O 3.49Å; I1082-I1146 HydrophobicContact CG2-CG1 4.43Å; I1082-D1147 PolarHBondContact N-OD2 3.38Å
1083	T	93.9	Very high	95.1	Very high	21 Å²	21	25.1 Å²	25.1	13%	0.129	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	170.9	-63.1	0	0	0	0	109.7	S1076 H1077 Y1144 K1145 D1147	S1076-T1083 WeakPolarHBondContact O-CA 3.49Å; H1077-T1083 PolarHBondContact CE1-OG1 2.92Å; H1077-T1083 PolarHBondContact ND1-OG1 3.16Å; T1083-Y1144 CarbonylContact O-C 3.55Å; T1083-Y1144 VanDerWaalsContact O-CA 3.25Å; T1083-Y1144 WeakPolarHBondContact O-CA 3.49Å; T1083-Y1144 WeakPolarHBondContact O-CB 3.45Å; T1083-K1145 PolarHBondContact N-O 3.36Å; T1083-K1145 PolarHBondContact O-N 2.95Å; T1083-D1147 WeakPolarHBondContact CB-OD1 3.13Å; T1083-D1147 PolarHBondContact N-OD1 2.87Å; T1083-D1147 PolarHBondContact OG1-OD1 2.98Å
1084	I	95.9	Very high	95.2	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.051	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	131.5	176.3	-52.9	-53.5	0	0	0	109.9	I1055 A1075 S1076 F1079 I1082 V1128 L1142	I1055-I1084 HydrophobicContact CD1-CD1 4.37Å; A1075-I1084 WeakPolarHBondContact O-CG1 3.33Å; S1076-I1084 PolarHBondContact O-N 3.19Å; F1079-I1084 HydrophobicContact CD2-CD1 4.23Å; I1082-I1084 HydrophobicContact CD1-CD1 4.13Å; I1084-V1128 HydrophobicContact CB-CG2 4.33Å; I1084-V1128 HydrophobicContact CG2-CB 4.37Å; I1084-V1128 HydrophobicContact CG2-CG1 4.31Å; I1084-V1128 HydrophobicContact CG2-CG2 3.97Å; I1084-L1142 HydrophobicContact CD1-CB 4.07Å; I1084-L1142 HydrophobicContact CD1-CD1 4.24Å; I1084-L1142 HydrophobicContact CG1-CD1 4.39Å; I1084-L1142 HydrophobicContact CG2-CB 4.03Å; I1084-L1142 HydrophobicContact CG2-CD2 4.35Å
1085	T	94.9	Very high	95.1	Very high	70 Å²	70	21.1 Å²	21.1	43%	0.429	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-24.4	-174.4	57.6	0	0	0	0	113.4	T1143 K1145	T1085-T1143 PolarHBondContact N-O 3.08Å; T1085-T1143 PolarHBondContact OG1-O 3.21Å; T1085-K1145 HydrophobicContact CG2-CB 4.27Å; T1085-K1145 HydrophobicContact CG2-CD 4.16Å; T1085-K1145 HydrophobicContact CG2-CG 3.93Å
1086	D	95.9	Very high	94.9	Very high	61 Å²	61	22.1 Å²	22.1	33%	0.326	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154.6	178.3	-170.9	44.2	0	0	0	111.1	M1123 L1142 T1143	D1086-M1123 WeakPolarHBondContact OD1-CE 3.45Å; D1086-L1142 WeakPolarHBondContact O-CA 3.42Å; D1086-T1143 PolarHBondContact N-O 2.73Å; D1086-T1143 PolarHBondContact O-N 3.04Å
1087	V	96.8	Very high	94.9	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132.9	-179.9	52.3	0	0	0	0	111	Y1121 M1123 V1128 L1130 Y1140 L1142	V1087-Y1121 HydrophobicContact CB-CD2 4.49Å; V1087-Y1121 HydrophobicContact CG1-CD2 3.33Å; V1087-Y1121 HydrophobicContact CG1-CE2 3.71Å; V1087-Y1121 HydrophobicContact CG1-CG 3.92Å; V1087-Y1121 HydrophobicContact CG2-CD1 4.43Å; V1087-Y1121 HydrophobicContact CG2-CD2 4.37Å; V1087-Y1121 HydrophobicContact CG2-CG 4.13Å; V1087-M1123 HydrophobicContact CG1-CB 4.2Å; V1087-M1123 HydrophobicContact CG1-SD 3.99Å; V1087-V1128 HydrophobicContact CB-CG1 3.98Å; V1087-V1128 HydrophobicContact CG1-CG1 3.78Å; V1087-L1130 HydrophobicContact CG2-CD2 3.87Å; V1087-Y1140 HydrophobicContact CG2-CD1 3.51Å; V1087-Y1140 HydrophobicContact CG2-CE1 4.05Å; V1087-Y1140 HydrophobicContact CG2-CG 4.16Å; V1087-L1142 HydrophobicContact CB-CD2 3.73Å; V1087-L1142 HydrophobicContact CG2-CD2 3.56Å
1088	T	96.1	Very high	94.9	Very high	42 Å²	42	22.9 Å²	22.9	26%	0.258	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.4	173.9	-59.3	0	0	0	0	110.4	M1090 L1097 Y1140 I1141	T1088-M1090 HydrophobicContact CG2-SD 3.57Å; T1088-M1090 VanDerWaalsContact CG2-SD 3.57Å; T1088-L1097 HydrophobicContact CG2-CD2 3.24Å; T1088-Y1140 VanDerWaalsContact O-CA 3.32Å; T1088-Y1140 WeakPolarHBondContact O-CA 3.31Å; T1088-I1141 PolarHBondContact N-O 2.82Å; T1088-I1141 PolarHBondContact O-N 2.69Å
1089	E	97.1	Very high	94.7	Very high	19 Å²	19	28.2 Å²	28.2	9%	0.089	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.6	174.5	-172.4	176.3	174.9	0	0	110.9	K1098 N1120 Y1121 I1138 Y1140	E1089-K1098 HydrophobicContact CG-CB 4.06Å; E1089-K1098 PolarHBondContact O-N 3.44Å; E1089-N1120 PolarHBondContact OE1-ND2 2.78Å; E1089-N1120 PolarHBondContact OE2-N 3.46Å; E1089-Y1121 HydrophobicContact CB-CD1 4.28Å; E1089-Y1121 HydrophobicContact CB-CE1 4.07Å; E1089-I1138 HydrophobicContact CG-CG2 4.25Å; E1089-Y1140 HydrophobicContact CB-CD1 4.09Å; E1089-Y1140 HydrophobicContact CB-CE1 3.82Å; E1089-Y1140 HydrophobicContact CG-CD1 4.48Å; E1089-Y1140 HydrophobicContact CG-CE1 4.02Å
1090	M	97.2	Very high	94.5	Very high	20 Å²	20	30.9 Å²	30.9	10%	0.099	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	167.3	-173.5	-54.9	-63.3	-74.9	0	0	112.3	T1088 A1094 R1096 L1097 T1139 I1141	T1088-M1090 HydrophobicContact CG2-SD 3.57Å; T1088-M1090 VanDerWaalsContact CG2-SD 3.57Å; M1090-A1094 HydrophobicContact CB-CB 4.37Å; M1090-A1094 WeakPolarHBondContact CE-O 3.38Å; M1090-R1096 CarbonylContact C-O 3.59Å; M1090-R1096 WeakPolarHBondContact CA-O 3.28Å; M1090-R1096 VanDerWaalsContact CE-C 3.49Å; M1090-R1096 WeakPolarHBondContact CE-O 3.5Å; M1090-L1097 HydrophobicContact SD-CD2 3.83Å; M1090-T1139 HydrophobicContact CB-CG2 4.15Å; M1090-T1139 PolarHBondContact N-O 2.79Å; M1090-I1141 HydrophobicContact CE-CD1 3.78Å; M1090-I1141 HydrophobicContact CG-CB 4.5Å; M1090-I1141 HydrophobicContact CG-CD1 3.7Å; M1090-I1141 HydrophobicContact CG-CG1 3.85Å; M1090-I1141 HydrophobicContact SD-CD1 3.89Å
1091	T	96.6	Very high	94.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.151	C	C	.	.			trans	-59.1	167.4	161.5	53.9	0	0	0	0	111.2	V196 T1093 A1094 D1095 R1096 A1101 T1139	V196-T1091 WeakPolarHBondContact O-CB 3.31Å; T1091-T1093 PolarHBondContact O-N 2.88Å; T1091-T1093 VanDerWaalsContact O-N 3.15Å; T1091-A1094 PolarHBondContact O-N 3.15Å; T1091-D1095 PolarHBondContact OG1-OD1 3.21Å; T1091-D1095 VanDerWaalsContact OG1-OD1 3.06Å; T1091-R1096 HydrophobicContact CG2-CB 4Å; T1091-R1096 PolarHBondContact N-O 2.89Å; T1091-R1096 PolarHBondContact OG1-N 3.09Å; T1091-R1096 PolarHBondContact OG1-O 2.65Å; T1091-A1101 HydrophobicContact CG2-CB 3.43Å; T1091-A1101 VanDerWaalsContact CG2-CB 3.43Å; T1091-T1139 WeakPolarHBondContact O-CB 3.3Å; T1091-T1139 WeakPolarHBondContact O-CG2 3.44Å; T1091-T1139 PolarHBondContact O-OG1 3.24Å
1092	L	97.3	Very high	94.6	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.026	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.9	-178.1	-171.8	57.6	0	0	0	112.9	I154 L192 D195 V196 R1058 I1137 T1139	I154-L1092 HydrophobicContact CD1-CD1 3.98Å; I154-L1092 HydrophobicContact CD1-CD2 4.24Å; I154-L1092 HydrophobicContact CD1-CG 4.4Å; I154-L1092 HydrophobicContact CG1-CD1 4.18Å; I154-L1092 HydrophobicContact CG1-CD2 3.84Å; I154-L1092 HydrophobicContact CG1-CG 4.07Å; I154-L1092 HydrophobicContact CG2-CD1 4.18Å; I154-L1092 HydrophobicContact CG2-CG 4.12Å; L192-L1092 HydrophobicContact CB-CD2 3.8Å; L192-L1092 HydrophobicContact CD2-CD2 3.87Å; L192-L1092 HydrophobicContact CG-CD2 4.37Å; D195-L1092 HydrophobicContact CB-CB 4.02Å; D195-L1092 HydrophobicContact CB-CD2 3.91Å; D195-L1092 PolarHBondContact O-N 3.17Å; V196-L1092 HydrophobicContact CG2-CB 4.02Å; V196-L1092 HydrophobicContact CG2-CD2 4.15Å; V196-L1092 HydrophobicContact CG2-CG 4.48Å; R1058-L1092 VanDerWaalsContact CZ-O 3.25Å; R1058-L1092 PolarHBondContact NE-O 2.85Å; R1058-L1092 PolarHBondContact NH2-O 2.7Å; L1092-I1137 HydrophobicContact CD1-CB 4.32Å; L1092-I1137 HydrophobicContact CD1-CG2 3.75Å; L1092-T1139 PolarHBondContact O-OG1 3.43Å
1093	T	97	Very high	94.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.2	-179.7	36.8	0	0	0	0	114.9	L157 N161 V196 T1091 D1095	L157-T1093 HydrophobicContact CB-CG2 3.82Å; N161-T1093 HydrophobicContact CB-CG2 4.36Å; V196-T1093 HydrophobicContact CB-CG2 4.48Å; V196-T1093 HydrophobicContact CG1-CG2 4.07Å; V196-T1093 HydrophobicContact CG2-CG2 3.7Å; T1091-T1093 PolarHBondContact O-N 2.88Å; T1091-T1093 VanDerWaalsContact O-N 3.15Å; T1093-D1095 VanDerWaalsContact CB-OD1 3.31Å; T1093-D1095 WeakPolarHBondContact CB-OD1 3.35Å; T1093-D1095 PolarHBondContact O-N 2.95Å; T1093-D1095 PolarHBondContact OG1-OD1 3.42Å
1094	A	96.6	Very high	94.2	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.025	20%	0.203	C	C	.	.	S	Bend	trans	58.3	15.3	177.8	0	0	0	0	0	116.2	W1041 L1056 M1090 T1091 T1139	W1041-A1094 HydrophobicContact CH2-CB 3.74Å; W1041-A1094 HydrophobicContact CZ2-CB 3.82Å; W1041-A1094 WeakPolarHBondContact CZ2-O 3.37Å; W1041-A1094 HydrophobicContact CZ3-CB 4.32Å; L1056-A1094 HydrophobicContact CD1-CB 3.64Å; L1056-A1094 HydrophobicContact CD2-CB 4.19Å; M1090-A1094 HydrophobicContact CB-CB 4.37Å; M1090-A1094 WeakPolarHBondContact CE-O 3.38Å; T1091-A1094 PolarHBondContact O-N 3.15Å; A1094-T1139 HydrophobicContact CB-CG2 4.08Å
1095	D	93.9	Very high	94	Very high	13 Å²	13	41 Å²	41	7%	0.07	21%	0.211	C	C	.	.	S	Bend	trans	-88.8	-14.3	179.6	66.3	-61.9	0	0	0	113	N161 T1091 T1093	N161-D1095 HydrophobicContact CB-CB 4.23Å; T1091-D1095 PolarHBondContact OG1-OD1 3.21Å; T1091-D1095 VanDerWaalsContact OG1-OD1 3.06Å; T1093-D1095 VanDerWaalsContact CB-OD1 3.31Å; T1093-D1095 WeakPolarHBondContact CB-OD1 3.35Å; T1093-D1095 PolarHBondContact O-N 2.95Å; T1093-D1095 PolarHBondContact OG1-OD1 3.42Å
1096	R	93.7	Very high	94	Very high	21 Å²	21	39 Å²	39	8%	0.079	20%	0.197	C	C	.	.	S	Bend	trans	-148	151.7	-174.9	-165.1	175.3	-174.2	-164.8	-2.2	113.5	M1090 T1091 E1100 A1101	M1090-R1096 CarbonylContact C-O 3.59Å; M1090-R1096 WeakPolarHBondContact CA-O 3.28Å; M1090-R1096 VanDerWaalsContact CE-C 3.49Å; M1090-R1096 WeakPolarHBondContact CE-O 3.5Å; T1091-R1096 HydrophobicContact CG2-CB 4Å; T1091-R1096 PolarHBondContact N-O 2.89Å; T1091-R1096 PolarHBondContact OG1-N 3.09Å; T1091-R1096 PolarHBondContact OG1-O 2.65Å; R1096-E1100 IonicContact CZ-OE1 3.75Å; R1096-E1100 VanDerWaalsContact CZ-OE1 3.27Å; R1096-E1100 IonicContact NE-OE1 3.23Å; R1096-E1100 PolarHBondContact NE-OE1 2.94Å; R1096-E1100 IonicContact NE-OE2 2.96Å; R1096-E1100 PolarHBondContact NH2-O 3.31Å; R1096-E1100 IonicContact NH2-OE1 3.11Å; R1096-E1100 PolarHBondContact NH2-OE1 2.86Å; R1096-A1101 HydrophobicContact CG-CB 4.41Å
1097	L	95.5	Very high	93.9	Very high	80 Å²	80	39.8 Å²	39.8	42%	0.419	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-63.2	135.2	169.8	-64.2	177.1	0	0	0	110.5	T1088 M1090 E1099 E1100 A1101	T1088-L1097 HydrophobicContact CG2-CD2 3.24Å; M1090-L1097 HydrophobicContact SD-CD2 3.83Å; L1097-E1099 VanDerWaalsContact C-N 3.32Å; L1097-E1099 PolarHBondContact O-N 2.72Å; L1097-E1100 HydrophobicContact CB-CB 3.98Å; L1097-E1100 PolarHBondContact O-N 3.07Å; L1097-A1101 WeakPolarHBondContact O-CB 3.33Å; L1097-A1101 PolarHBondContact O-N 3.07Å
1098	K	93.5	Very high	93.8	Very high	42 Å²	42	39.6 Å²	39.6	18%	0.183	20%	0.198	C	C	.	.	H	α-helix	trans	-59.3	-43.3	179.7	-177.3	62.6	173	-174.8	0	112.3	D195 E1089 A1101 M1102 V1117	D195-K1098 IonicContact OD1-NZ 3.47Å; E1089-K1098 HydrophobicContact CG-CB 4.06Å; E1089-K1098 PolarHBondContact O-N 3.44Å; K1098-A1101 PolarHBondContact O-N 2.93Å; K1098-M1102 HydrophobicContact CD-CG 4.35Å; K1098-M1102 HydrophobicContact CD-SD 4.27Å; K1098-M1102 HydrophobicContact CG-SD 4.26Å; K1098-M1102 WeakPolarHBondContact O-CG 3.44Å; K1098-M1102 PolarHBondContact O-N 3.48Å; K1098-V1117 HydrophobicContact CG-CG1 4.42Å
1099	E	91.3	Very high	93.5	Very high	119 Å²	119	38 Å²	38	56%	0.556	19%	0.188	S	C	*	.	H	α-helix	trans	-60.8	-46.3	179.6	-174.5	173.3	-175.5	0	0	111.9	L1097 M1102 S1103 V1117	L1097-E1099 VanDerWaalsContact C-N 3.32Å; L1097-E1099 PolarHBondContact O-N 2.72Å; E1099-M1102 PolarHBondContact O-N 3.31Å; E1099-S1103 WeakPolarHBondContact O-CB 3.35Å; E1099-S1103 PolarHBondContact O-N 3.28Å; E1099-S1103 PolarHBondContact O-OG 3.45Å; E1099-V1117 HydrophobicContact CB-CG2 4.43Å; E1099-V1117 HydrophobicContact CG-CB 4.5Å; E1099-V1117 HydrophobicContact CG-CG2 4.36Å
1100	E	90.9	Very high	92.9	Very high	60 Å²	60	39.9 Å²	39.9	28%	0.28	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-45.1	178.1	-161.9	-155.1	130.4	0	0	111.1	R1096 L1097 M1102 S1103 Q1104	R1096-E1100 IonicContact CZ-OE1 3.75Å; R1096-E1100 VanDerWaalsContact CZ-OE1 3.27Å; R1096-E1100 IonicContact NE-OE1 3.23Å; R1096-E1100 PolarHBondContact NE-OE1 2.94Å; R1096-E1100 IonicContact NE-OE2 2.96Å; R1096-E1100 PolarHBondContact NH2-O 3.31Å; R1096-E1100 IonicContact NH2-OE1 3.11Å; R1096-E1100 PolarHBondContact NH2-OE1 2.86Å; L1097-E1100 HydrophobicContact CB-CB 3.98Å; L1097-E1100 PolarHBondContact O-N 3.07Å; E1100-M1102 PolarHBondContact O-N 3.09Å; E1100-S1103 PolarHBondContact O-N 3Å; E1100-S1103 PolarHBondContact O-OG 2.91Å; E1100-Q1104 PolarHBondContact O-N 2.91Å
1101	A	92	Very high	92.4	Very high	8 Å²	8	39 Å²	39	7%	0.066	20%	0.197	C	C	.	.	H	α-helix	trans	-58.1	-45.7	177.7	0	0	0	0	0	112.6	T1091 R1096 L1097 K1098 R1105	T1091-A1101 HydrophobicContact CG2-CB 3.43Å; T1091-A1101 VanDerWaalsContact CG2-CB 3.43Å; R1096-A1101 HydrophobicContact CG-CB 4.41Å; L1097-A1101 WeakPolarHBondContact O-CB 3.33Å; L1097-A1101 PolarHBondContact O-N 3.07Å; K1098-A1101 PolarHBondContact O-N 2.93Å; A1101-R1105 PolarHBondContact O-N 3.45Å
1102	M	88.7	Confident	91.7	Very high	62 Å²	62	40.4 Å²	40.4	31%	0.305	21%	0.206	S	C	.	.	H	α-helix	trans	-69.5	-36.2	178.9	-68.2	-175.2	71.9	0	0	112.7	K1098 E1099 E1100 Q1104 F1114 V1117	K1098-M1102 HydrophobicContact CD-CG 4.35Å; K1098-M1102 HydrophobicContact CD-SD 4.27Å; K1098-M1102 HydrophobicContact CG-SD 4.26Å; K1098-M1102 WeakPolarHBondContact O-CG 3.44Å; K1098-M1102 PolarHBondContact O-N 3.48Å; E1099-M1102 PolarHBondContact O-N 3.31Å; E1100-M1102 PolarHBondContact O-N 3.09Å; M1102-Q1104 VanDerWaalsContact C-N 3.3Å; M1102-Q1104 PolarHBondContact O-N 3.36Å; M1102-F1114 HydrophobicContact CB-CE2 3.78Å; M1102-F1114 HydrophobicContact CB-CZ 4.27Å; M1102-F1114 HydrophobicContact CE-CE2 4.07Å; M1102-V1117 HydrophobicContact CB-CG2 3.82Å; M1102-V1117 HydrophobicContact CE-CG2 4.22Å; M1102-V1117 HydrophobicContact CG-CG2 4.14Å; M1102-V1117 HydrophobicContact SD-CB 4.35Å; M1102-V1117 HydrophobicContact SD-CG1 4.03Å; M1102-V1117 HydrophobicContact SD-CG2 3.44Å; M1102-V1117 WeakPolarHBondContact SD-CG2 3.45Å
1103	S	88.6	Confident	90.8	Very high	70 Å²	70	45.3 Å²	45.3	49%	0.49	24%	0.236	S	C	.	.	H	α-helix	trans	-68.2	-27.6	179.8	72.6	0	0	0	0	114	E1099 E1100	E1099-S1103 WeakPolarHBondContact O-CB 3.35Å; E1099-S1103 PolarHBondContact O-N 3.28Å; E1099-S1103 PolarHBondContact O-OG 3.45Å; E1100-S1103 PolarHBondContact O-N 3Å; E1100-S1103 PolarHBondContact O-OG 2.91Å
1104	Q	89.5	Confident	89.9	Confident	104 Å²	104	49 Å²	49	49%	0.486	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.1	-177.4	-66.1	-171.3	7.9	0	0	113.9	E1100 M1102	E1100-Q1104 PolarHBondContact O-N 2.91Å; M1102-Q1104 VanDerWaalsContact C-N 3.3Å; M1102-Q1104 PolarHBondContact O-N 3.36Å
1105	R	91.9	Very high	88.6	Confident	59 Å²	59	57.4 Å²	57.4	22%	0.223	29%	0.291	C	S	.	.	S	Bend	trans	-61.5	139.7	176.1	-172	-171.8	167.6	-90.5	10	110.3	D199 G245 A1101 H1107 E1111	D199-R1105 WeakPolarHBondContact OD1-CA 3.34Å; D199-R1105 WeakPolarHBondContact OD1-CG 3.32Å; G245-R1105 PolarHBondContact O-NH2 2.92Å; A1101-R1105 PolarHBondContact O-N 3.45Å; R1105-H1107 PolarHBondContact O-N 3.37Å; R1105-E1111 IonicContact CZ-OE1 2.75Å; R1105-E1111 IonicContact CZ-OE2 3.88Å; R1105-E1111 IonicContact NH1-OE1 3.51Å; R1105-E1111 PolarHBondContact NH1-OE1 3.08Å; R1105-E1111 IonicContact NH1-OE2 3.51Å; R1105-E1111 PolarHBondContact NH1-OE2 2.82Å; R1105-E1111 IonicContact NH2-OE1 2.73Å; R1105-E1111 PolarHBondContact NH2-OE1 3.1Å; R1105-E1111 IonicContact NH2-OE2 2.87Å
1106	L	94.7	Very high	87.8	Confident	26 Å²	26	61 Å²	61	14%	0.136	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-63.6	132.3	171	-64.9	-177.1	0	0	0	110.4	Y37 D199 T354 N358	Y37-L1106 HydrophobicContact CD2-CD2 4.36Å; Y37-L1106 HydrophobicContact CE1-CD1 4.11Å; Y37-L1106 HydrophobicContact CE2-CD1 4Å; Y37-L1106 HydrophobicContact CE2-CD2 4.11Å; Y37-L1106 HydrophobicContact CE2-CG 3.88Å; Y37-L1106 WeakPolarHBondContact OH-CD1 3.37Å; D199-L1106 HydrophobicContact CB-CB 4.33Å; D199-L1106 HydrophobicContact CB-CD1 4.12Å; D199-L1106 HydrophobicContact CB-CG 4.22Å; D199-L1106 PolarHBondContact OD1-N 3.18Å; T354-L1106 HydrophobicContact CG2-CD1 3.89Å; N358-L1106 HydrophobicContact CB-CD1 4.11Å
1107	H	93.6	Very high	87	Confident	78 Å²	78	61.3 Å²	61.3	36%	0.361	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-92.5	128.1	175.1	-178.6	67.1	0	0	0	109.9	N358 N362 R1105 E1111 P1112	N358-H1107 PolarHBondContact ND2-O 3.22Å; N362-H1107 PolarHBondContact ND2-O 2.85Å; R1105-H1107 PolarHBondContact O-N 3.37Å; H1107-E1111 PolarHBondContact CE1-O 3.28Å; H1107-E1111 IonicContact ND1-OE2 3.82Å; H1107-P1112 PolarHBondContact CE1-O 3.07Å
1108	W	94.3	Very high	86.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-99.3	154.8	176.8	-62.8	91	0	0	0	111.1	L223 F247 T354 V357 N358 F361 I367 E1111	L223-W1108 HydrophobicContact CD1-CB 4.35Å; L223-W1108 HydrophobicContact CD1-CG 4.16Å; L223-W1108 HydrophobicContact CD2-CB 4.11Å; F247-W1108 HydrophobicContact CB-CD2 4.15Å; F247-W1108 VanDerWaalsContact CB-CE2 3.43Å; F247-W1108 HydrophobicContact CB-CH2 3.69Å; F247-W1108 HydrophobicContact CB-CZ2 3.2Å; F247-W1108 HydrophobicContact CB-CZ3 4.34Å; F247-W1108 AromaticContact CD1-CH2 3.8Å; F247-W1108 HydrophobicContact CD1-CH2 3.8Å; F247-W1108 HydrophobicContact CD1-CZ2 4Å; F247-W1108 HydrophobicContact CD2-CD2 4.29Å; F247-W1108 AromaticContact CD2-CE3 3.86Å; F247-W1108 HydrophobicContact CD2-CE3 3.86Å; F247-W1108 AromaticContact CD2-CH2 3.24Å; F247-W1108 HydrophobicContact CD2-CH2 3.24Å; F247-W1108 AromaticContact CD2-CZ2 3.74Å; F247-W1108 HydrophobicContact CD2-CZ2 3.74Å; F247-W1108 AromaticContact CD2-CZ3 3.3Å; F247-W1108 HydrophobicContact CD2-CZ3 3.3Å; F247-W1108 HydrophobicContact CE1-CH2 4.24Å; F247-W1108 HydrophobicContact CE2-CE3 4.5Å; F247-W1108 AromaticContact CE2-CH2 3.73Å; F247-W1108 HydrophobicContact CE2-CH2 3.73Å; F247-W1108 AromaticContact CE2-CZ3 3.66Å; F247-W1108 HydrophobicContact CE2-CZ3 3.66Å; F247-W1108 AromaticContact CG-CE2 3.99Å; F247-W1108 HydrophobicContact CG-CE3 4.45Å; F247-W1108 AromaticContact CG-CH2 3.27Å; F247-W1108 HydrophobicContact CG-CH2 3.27Å; F247-W1108 AromaticContact CG-CZ2 3.36Å; F247-W1108 HydrophobicContact CG-CZ2 3.36Å; F247-W1108 AromaticContact CG-CZ3 3.86Å; F247-W1108 HydrophobicContact CG-CZ3 3.86Å; F247-W1108 HydrophobicContact CZ-CH2 4.21Å; F247-W1108 HydrophobicContact CZ-CZ3 4.47Å; T354-W1108 HydrophobicContact CG2-CH2 4.16Å; T354-W1108 HydrophobicContact CG2-CZ2 3.84Å; V357-W1108 HydrophobicContact CG2-CH2 3.99Å; V357-W1108 HydrophobicContact CG2-CZ3 4.35Å; N358-W1108 HydrophobicContact CB-CE3 4.41Å; N358-W1108 HydrophobicContact CB-CH2 3.64Å; N358-W1108 HydrophobicContact CB-CZ2 4.03Å; N358-W1108 HydrophobicContact CB-CZ3 3.86Å; F361-W1108 HydrophobicContact CB-CE3 4.38Å; F361-W1108 HydrophobicContact CB-CZ3 4.41Å; F361-W1108 AromaticContact CD2-CZ3 3.98Å; F361-W1108 HydrophobicContact CD2-CZ3 3.98Å; I367-W1108 HydrophobicContact CD1-CE3 3.94Å; I367-W1108 HydrophobicContact CD1-CZ3 4.32Å; W1108-E1111 HydrophobicContact CB-CG 4.02Å; W1108-E1111 PolarHBondContact N-OE2 2.89Å; W1108-E1111 WeakPolarHBondContact O-CB 2.98Å; W1108-E1111 PolarHBondContact O-N 2.99Å
1109	P	90.5	Very high	86	Confident	7 Å²	7	65.9 Å²	65.9	5%	0.045	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	150.1	173.7	-18.7	27.7	0	0	0	110.7	F361 I367 E1111	F361-P1109 HydrophobicContact CB-CG 3.94Å; F361-P1109 WeakPolarHBondContact O-CG 3.29Å; I367-P1109 HydrophobicContact CG2-CB 4.42Å; I367-P1109 WeakPolarHBondContact CG2-O 3.42Å; P1109-E1111 PolarHBondContact O-N 3.19Å
1110	T	84	Confident	86.1	Confident	59 Å²	59	61 Å²	61	36%	0.362	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	-10.6	-179.5	74.7	0	0	0	0	116.2	K242 H369	K242-T1110 WeakPolarHBondContact CB-O 3.29Å; K242-T1110 WeakPolarHBondContact CD-O 3.49Å; K242-T1110 VanDerWaalsContact CG-O 3.26Å; K242-T1110 WeakPolarHBondContact CG-O 3.43Å; H369-T1110 PolarHBondContact NE2-OG1 3.17Å
1111	E	87.3	Confident	86.3	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.009	32%	0.32	C	S	.	.	S	Bend	trans	-69.5	158.2	172.5	-67.8	-167	140.2	0	0	112.4	L223 G245 R1105 H1107 W1108 P1109	L223-E1111 HydrophobicContact CD2-CG 3.82Å; G245-E1111 PolarHBondContact N-OE1 3.24Å; G245-E1111 VanDerWaalsContact N-OE1 3.07Å; R1105-E1111 IonicContact CZ-OE1 2.75Å; R1105-E1111 IonicContact CZ-OE2 3.88Å; R1105-E1111 IonicContact NH1-OE1 3.51Å; R1105-E1111 PolarHBondContact NH1-OE1 3.08Å; R1105-E1111 IonicContact NH1-OE2 3.51Å; R1105-E1111 PolarHBondContact NH1-OE2 2.82Å; R1105-E1111 IonicContact NH2-OE1 2.73Å; R1105-E1111 PolarHBondContact NH2-OE1 3.1Å; R1105-E1111 IonicContact NH2-OE2 2.87Å; H1107-E1111 PolarHBondContact CE1-O 3.28Å; H1107-E1111 IonicContact ND1-OE2 3.82Å; W1108-E1111 HydrophobicContact CB-CG 4.02Å; W1108-E1111 PolarHBondContact N-OE2 2.89Å; W1108-E1111 WeakPolarHBondContact O-CB 2.98Å; W1108-E1111 PolarHBondContact O-N 2.99Å; P1109-E1111 PolarHBondContact O-N 3.19Å
1112	P	81.9	Confident	86.5	Confident	30 Å²	30	65.2 Å²	65.2	20%	0.195	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-70	147.3	173.9	29.9	-31.4	0	0	0	109.8	K242 Y244 H1107 F1114	K242-P1112 HydrophobicContact CB-CB 3.86Å; K242-P1112 HydrophobicContact CB-CG 4.1Å; K242-P1112 HydrophobicContact CD-CB 4.39Å; K242-P1112 WeakPolarHBondContact O-CD 3.32Å; K242-P1112 VanDerWaalsContact O-CG 3.29Å; K242-P1112 WeakPolarHBondContact O-CG 3.24Å; Y244-P1112 HydrophobicContact CD1-CG 4.49Å; Y244-P1112 HydrophobicContact CD2-CG 4.22Å; Y244-P1112 HydrophobicContact CE1-CG 4.09Å; Y244-P1112 HydrophobicContact CE2-CG 3.78Å; H1107-P1112 PolarHBondContact CE1-O 3.07Å; P1112-F1114 PolarHBondContact O-N 2.93Å
1113	T	78.6	Confident	86.8	Confident	108 Å²	108	66.3 Å²	66.3	66%	0.663	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-66.4	128.2	172.8	-50.1	0	0	0	0	108.9	Q1115	T1113-Q1115 PolarHBondContact O-N 2.83Å
1114	F	76.8	Confident	86.9	Confident	78 Å²	78	67.2 Å²	67.2	34%	0.342	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-58.6	130	175.3	176.9	-100.9	0	0	0	110.3	M1102 P1112 V1117	M1102-F1114 HydrophobicContact CB-CE2 3.78Å; M1102-F1114 HydrophobicContact CB-CZ 4.27Å; M1102-F1114 HydrophobicContact CE-CE2 4.07Å; P1112-F1114 PolarHBondContact O-N 2.93Å; F1114-V1117 HydrophobicContact CE2-CG2 3.94Å; F1114-V1117 HydrophobicContact CZ-CG2 3.84Å
1115	Q	70.6	Confident	86.7	Confident	179 Å²	179	68.6 Å²	68.6	84%	0.836	37%	0.367	S	S	*	.			trans	-103	-69.9	-179.7	-66.6	-176.6	-6.7	0	0	111	T1113	T1113-Q1115 PolarHBondContact O-N 2.83Å
1116	S	75.9	Confident	86.5	Confident	90 Å²	90	70.2 Å²	70.2	63%	0.629	39%	0.387	S	S	*	.			trans	-167.6	163.7	175.1	57.7	0	0	0	0	109.5
1117	V	76.9	Confident	86.4	Confident	26 Å²	26	70.3 Å²	70.3	16%	0.158	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-89.3	121	173.9	-174.6	0	0	0	0	109.5	K1098 E1099 M1102 F1114 K1119	K1098-V1117 HydrophobicContact CG-CG1 4.42Å; E1099-V1117 HydrophobicContact CB-CG2 4.43Å; E1099-V1117 HydrophobicContact CG-CB 4.5Å; E1099-V1117 HydrophobicContact CG-CG2 4.36Å; M1102-V1117 HydrophobicContact CB-CG2 3.82Å; M1102-V1117 HydrophobicContact CE-CG2 4.22Å; M1102-V1117 HydrophobicContact CG-CG2 4.14Å; M1102-V1117 HydrophobicContact SD-CB 4.35Å; M1102-V1117 HydrophobicContact SD-CG1 4.03Å; M1102-V1117 HydrophobicContact SD-CG2 3.44Å; M1102-V1117 WeakPolarHBondContact SD-CG2 3.45Å; F1114-V1117 HydrophobicContact CE2-CG2 3.94Å; F1114-V1117 HydrophobicContact CZ-CG2 3.84Å; V1117-K1119 PolarHBondContact O-N 2.94Å
1118	T	81.7	Confident	86.6	Confident	104 Å²	104	66.8 Å²	66.8	64%	0.638	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-67.2	119.9	169.3	-57.1	0	0	0	0	109	N1120	T1118-N1120 PolarHBondContact O-N 2.97Å
1119	K	87.3	Confident	86.7	Confident	115 Å²	115	68.5 Å²	68.5	50%	0.5	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-64.7	124.9	173.3	-69.2	-167.9	176.9	-167.7	0	110.3	V1117 Y1121	V1117-K1119 PolarHBondContact O-N 2.94Å; K1119-Y1121 HydrophobicContact CB-CE1 4.49Å; K1119-Y1121 HydrophobicContact CD-CE1 4.45Å; K1119-Y1121 PolarHBondContact O-N 3.23Å
1120	N	93.2	Very high	87	Confident	16 Å²	16	68.1 Å²	68.1	9%	0.086	38%	0.38	C	S	.	.	S	Bend	trans	-89.1	20.7	-179.9	-70.2	-52.5	0	0	0	112.8	E1089 T1118 K1131 P1133 I1138 Y1140	E1089-N1120 PolarHBondContact OE1-ND2 2.78Å; E1089-N1120 PolarHBondContact OE2-N 3.46Å; T1118-N1120 PolarHBondContact O-N 2.97Å; N1120-K1131 WeakPolarHBondContact CB-O 3.27Å; N1120-K1131 WeakPolarHBondContact O-CA 3.45Å; N1120-K1131 WeakPolarHBondContact O-CB 3.49Å; N1120-K1131 PolarHBondContact O-N 3.12Å; N1120-P1133 WeakPolarHBondContact OD1-CG 3.46Å; N1120-I1138 HydrophobicContact CB-CG2 4.47Å; N1120-Y1140 VanDerWaalsContact C-OH 3.29Å; N1120-Y1140 WeakPolarHBondContact CB-OH 3.36Å; N1120-Y1140 PolarHBondContact O-OH 3.12Å
1121	Y	95.2	Very high	87.6	Confident	50 Å²	50	67.3 Å²	67.3	20%	0.196	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158.1	176.9	65.8	-86.6	0	0	0	111.9	V1087 E1089 K1119 I1129 Y1140	V1087-Y1121 HydrophobicContact CB-CD2 4.49Å; V1087-Y1121 HydrophobicContact CG1-CD2 3.33Å; V1087-Y1121 HydrophobicContact CG1-CE2 3.71Å; V1087-Y1121 HydrophobicContact CG1-CG 3.92Å; V1087-Y1121 HydrophobicContact CG2-CD1 4.43Å; V1087-Y1121 HydrophobicContact CG2-CD2 4.37Å; V1087-Y1121 HydrophobicContact CG2-CG 4.13Å; E1089-Y1121 HydrophobicContact CB-CD1 4.28Å; E1089-Y1121 HydrophobicContact CB-CE1 4.07Å; K1119-Y1121 HydrophobicContact CB-CE1 4.49Å; K1119-Y1121 HydrophobicContact CD-CE1 4.45Å; K1119-Y1121 PolarHBondContact O-N 3.23Å; Y1121-I1129 CarbonylContact C-O 3.56Å; Y1121-I1129 VanDerWaalsContact CA-O 3.26Å; Y1121-I1129 WeakPolarHBondContact CA-O 3.36Å; Y1121-Y1140 AromaticContact CD1-CE1 3.98Å; Y1121-Y1140 HydrophobicContact CD1-CE1 3.98Å; Y1121-Y1140 HydrophobicContact CG-CE1 4.5Å
1122	E	95.4	Very high	87.9	Confident	106 Å²	106	67.2 Å²	67.2	50%	0.495	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.6	168.9	-73.2	175.2	-175.3	0	0	108.6	I1129 K1131	E1122-I1129 HydrophobicContact CB-CB 4.46Å; E1122-I1129 PolarHBondContact N-O 3.15Å; E1122-I1129 PolarHBondContact O-N 3.48Å; E1122-K1131 VanDerWaalsContact CD-CE 3.48Å; E1122-K1131 WeakPolarHBondContact OE1-CE 3.37Å; E1122-K1131 IonicContact OE1-NZ 3.55Å; E1122-K1131 PolarHBondContact OE1-NZ 3.24Å
1123	M	94.2	Very high	88.4	Confident	85 Å²	85	66.7 Å²	66.7	42%	0.419	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.2	179.3	-177.6	174.4	81.8	0	0	110.5	D1086 V1087 S1127 V1128	D1086-M1123 WeakPolarHBondContact OD1-CE 3.45Å; V1087-M1123 HydrophobicContact CG1-CB 4.2Å; V1087-M1123 HydrophobicContact CG1-SD 3.99Å; M1123-S1127 WeakPolarHBondContact CA-O 3.04Å; M1123-V1128 HydrophobicContact CG-CG2 3.98Å; M1123-V1128 HydrophobicContact SD-CG2 4.17Å
1124	N	92.3	Very high	89	Confident	90 Å²	90	62.1 Å²	62.1	48%	0.481	34%	0.34	S	S	.	.			trans	-128.6	-173.6	166.4	67.9	38.6	0	0	0	109.4	S1126 S1127	N1124-S1126 PolarHBondContact O-N 3.21Å; N1124-S1126 VanDerWaalsContact O-N 3.08Å; N1124-S1126 PolarHBondContact OD1-N 3.12Å; N1124-S1126 PolarHBondContact OD1-OG 3.48Å; N1124-S1127 PolarHBondContact N-O 3.23Å; N1124-S1127 PolarHBondContact ND2-OG 3.18Å; N1124-S1127 PolarHBondContact OD1-N 2.79Å; N1124-S1127 PolarHBondContact OD1-OG 3.46Å
1125	S	85.3	Confident	89.6	Confident	133 Å²	133	58.6 Å²	58.6	93%	0.93	33%	0.325	S	S	*	.	S	Bend	trans	-61.2	-17.8	-175.8	54.5	0	0	0	0	115.5
1126	S	86.4	Confident	90.5	Very high	93 Å²	93	53.8 Å²	53.8	65%	0.65	30%	0.301	S	S	*	.	S	Bend	trans	-130.5	-9.9	-174.9	52.7	0	0	0	0	114.6	N1124	N1124-S1126 PolarHBondContact O-N 3.21Å; N1124-S1126 VanDerWaalsContact O-N 3.08Å; N1124-S1126 PolarHBondContact OD1-N 3.12Å; N1124-S1126 PolarHBondContact OD1-OG 3.48Å
1127	S	94.1	Very high	91.5	Very high	27 Å²	27	50.1 Å²	50.1	19%	0.189	27%	0.274	C	S	.	.			trans	-139.3	138.4	-176.2	72	0	0	0	0	113.2	S1076 M1123 N1124	S1076-S1127 VanDerWaalsContact OG-CA 3.25Å; S1076-S1127 WeakPolarHBondContact OG-CA 3.36Å; M1123-S1127 WeakPolarHBondContact CA-O 3.04Å; N1124-S1127 PolarHBondContact N-O 3.23Å; N1124-S1127 PolarHBondContact ND2-OG 3.18Å; N1124-S1127 PolarHBondContact OD1-N 2.79Å; N1124-S1127 PolarHBondContact OD1-OG 3.46Å
1128	V	96.8	Very high	92.4	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	104.8	172.1	-178.8	0	0	0	0	108.1	A1075 S1076 I1084 V1087 M1123 L1130	A1075-V1128 HydrophobicContact CB-CG1 4.31Å; A1075-V1128 PolarHBondContact N-O 3.44Å; S1076-V1128 PolarHBondContact OG-N 3.39Å; I1084-V1128 HydrophobicContact CB-CG2 4.33Å; I1084-V1128 HydrophobicContact CG2-CB 4.37Å; I1084-V1128 HydrophobicContact CG2-CG1 4.31Å; I1084-V1128 HydrophobicContact CG2-CG2 3.97Å; V1087-V1128 HydrophobicContact CB-CG1 3.98Å; V1087-V1128 HydrophobicContact CG1-CG1 3.78Å; M1123-V1128 HydrophobicContact CG-CG2 3.98Å; M1123-V1128 HydrophobicContact SD-CG2 4.17Å; V1128-L1130 HydrophobicContact CG1-CD2 4.05Å
1129	I	97.1	Very high	93.2	Very high	36 Å²	36	44.7 Å²	44.7	19%	0.185	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.4	178.9	-54.5	-56.3	0	0	0	109.2	H1072 I1073 D1074 Y1121 E1122	H1072-I1129 HydrophobicContact CB-CG2 4.18Å; I1073-I1129 WeakPolarHBondContact O-CA 3.43Å; D1074-I1129 HydrophobicContact CB-CD1 3.73Å; Y1121-I1129 CarbonylContact C-O 3.56Å; Y1121-I1129 VanDerWaalsContact CA-O 3.26Å; Y1121-I1129 WeakPolarHBondContact CA-O 3.36Å; E1122-I1129 HydrophobicContact CB-CB 4.46Å; E1122-I1129 PolarHBondContact N-O 3.15Å; E1122-I1129 PolarHBondContact O-N 3.48Å
1130	L	97	Very high	93.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.7	174.4	-48.8	179.6	0	0	0	109.6	F1059 H1072 I1073 A1075 V1087 V1128 I1132 Y1140	F1059-L1130 HydrophobicContact CD2-CD1 4.09Å; F1059-L1130 HydrophobicContact CE2-CD1 3.62Å; H1072-L1130 CarbonylContact C-O 3.6Å; H1072-L1130 VanDerWaalsContact CA-O 3.3Å; H1072-L1130 WeakPolarHBondContact CA-O 3.22Å; I1073-L1130 HydrophobicContact CB-CB 4.42Å; I1073-L1130 PolarHBondContact N-O 2.96Å; I1073-L1130 PolarHBondContact O-N 3.23Å; A1075-L1130 HydrophobicContact CB-CD1 3.82Å; A1075-L1130 HydrophobicContact CB-CG 3.92Å; V1087-L1130 HydrophobicContact CG2-CD2 3.87Å; V1128-L1130 HydrophobicContact CG1-CD2 4.05Å; L1130-I1132 HydrophobicContact CB-CD1 4.12Å; L1130-Y1140 HydrophobicContact CB-CE2 4.22Å; L1130-Y1140 HydrophobicContact CD1-CD2 3.99Å; L1130-Y1140 HydrophobicContact CD1-CE2 4.08Å; L1130-Y1140 HydrophobicContact CD2-CD1 4.45Å; L1130-Y1140 HydrophobicContact CD2-CD2 4.27Å; L1130-Y1140 HydrophobicContact CD2-CE1 4.29Å; L1130-Y1140 HydrophobicContact CD2-CE2 4.09Å; L1130-Y1140 HydrophobicContact CD2-CG 4.43Å; L1130-Y1140 HydrophobicContact CG-CE2 4.36Å
1131	K	95.1	Very high	93.9	Very high	41 Å²	41	39.1 Å²	39.1	18%	0.178	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.2	177.1	-55.7	174.7	177.7	171.9	0	107.9	H1070 N1120 E1122 P1133	H1070-K1131 HydrophobicContact CB-CB 4.45Å; N1120-K1131 WeakPolarHBondContact CB-O 3.27Å; N1120-K1131 WeakPolarHBondContact O-CA 3.45Å; N1120-K1131 WeakPolarHBondContact O-CB 3.49Å; N1120-K1131 PolarHBondContact O-N 3.12Å; E1122-K1131 VanDerWaalsContact CD-CE 3.48Å; E1122-K1131 WeakPolarHBondContact OE1-CE 3.37Å; E1122-K1131 IonicContact OE1-NZ 3.55Å; E1122-K1131 PolarHBondContact OE1-NZ 3.24Å; K1131-P1133 WeakPolarHBondContact O-CD 3.37Å
1132	I	95	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	107.6	-178.1	-43.1	-55.4	0	0	0	108.8	I1033 F1059 N1061 T1071 I1073 L1130 I1138 Y1140	I1033-I1132 HydrophobicContact CD1-CB 3.98Å; I1033-I1132 HydrophobicContact CD1-CG1 4.28Å; I1033-I1132 HydrophobicContact CD1-CG2 4.15Å; F1059-I1132 HydrophobicContact CB-CD1 3.92Å; F1059-I1132 HydrophobicContact CB-CG1 4.1Å; F1059-I1132 HydrophobicContact CB-CG2 4.34Å; F1059-I1132 HydrophobicContact CD2-CD1 4.24Å; F1059-I1132 HydrophobicContact CG-CD1 4.39Å; N1061-I1132 HydrophobicContact CB-CG2 3.81Å; N1061-I1132 PolarHBondContact ND2-O 2.95Å; T1071-I1132 PolarHBondContact N-O 2.86Å; T1071-I1132 PolarHBondContact O-N 2.85Å; I1073-I1132 HydrophobicContact CD1-CD1 4.39Å; I1073-I1132 HydrophobicContact CD1-CG1 3.71Å; I1073-I1132 HydrophobicContact CG1-CG1 4.42Å; L1130-I1132 HydrophobicContact CB-CD1 4.12Å; I1132-I1138 HydrophobicContact CD1-CB 4.39Å; I1132-I1138 HydrophobicContact CD1-CG1 4.47Å; I1132-I1138 HydrophobicContact CG2-CG1 4.13Å; I1132-Y1140 HydrophobicContact CD1-CE2 3.96Å
1133	P	91.6	Very high	94	Very high	19 Å²	19	33.3 Å²	33.3	12%	0.123	19%	0.193	C	C	.	.			trans	-63.5	150.3	177.2	-15.4	28.5	0	0	0	111.4	N1061 N1120 K1131 K1136 I1138	N1061-P1133 WeakPolarHBondContact CB-O 3.43Å; N1120-P1133 WeakPolarHBondContact OD1-CG 3.46Å; K1131-P1133 WeakPolarHBondContact O-CD 3.37Å; P1133-K1136 HydrophobicContact CB-CB 4.27Å; P1133-K1136 HydrophobicContact CB-CG 4.06Å; P1133-K1136 PolarHBondContact O-N 2.75Å; P1133-I1138 HydrophobicContact CG-CD1 4.22Å
1134	P	90.6	Very high	94	Very high	12 Å²	12	30.4 Å²	30.4	8%	0.078	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	144.2	175.9	28.4	-38.3	0	0	0	111.7	H1063 N1067 K1136	H1063-P1134 HydrophobicContact CB-CB 4.3Å; N1067-P1134 VanDerWaalsContact O-CB 3.29Å; N1067-P1134 WeakPolarHBondContact O-CB 3.29Å; N1067-P1134 VanDerWaalsContact O-CG 3.25Å; N1067-P1134 WeakPolarHBondContact O-CG 3.45Å; P1134-K1136 PolarHBondContact O-N 3.43Å
1135	D	89.1	Confident	94	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	15.4	176.4	-160.2	44.2	0	0	0	116.1	R870 R871 R993 N1061 H1063 L1065	R870-D1135 PolarHBondContact NH2-O 3.44Å; R871-D1135 WeakPolarHBondContact CD-OD1 3.2Å; R871-D1135 VanDerWaalsContact CD-OD2 3.28Å; R871-D1135 WeakPolarHBondContact CD-OD2 3.49Å; R871-D1135 IonicContact CZ-OD2 3.72Å; R871-D1135 IonicContact NE-OD2 3.98Å; R871-D1135 IonicContact NH1-OD2 3.84Å; R871-D1135 PolarHBondContact NH1-OD2 3.29Å; R993-D1135 IonicContact NH1-OD1 3.64Å; R993-D1135 PolarHBondContact NH1-OD1 3.08Å; N1061-D1135 WeakPolarHBondContact O-CA 3.42Å; N1061-D1135 PolarHBondContact O-N 3.19Å; N1061-D1135 VanDerWaalsContact O-N 3.08Å; H1063-D1135 PolarHBondContact O-N 2.85Å; L1065-D1135 HydrophobicContact CD2-CB 4.43Å; L1065-D1135 HydrophobicContact CG-CB 4.26Å
1136	K	91.3	Very high	94.1	Very high	79 Å²	79	27.8 Å²	27.8	34%	0.343	15%	0.147	S	C	.	.			trans	-111.7	145.7	178.9	-64.6	-59.6	-173.5	175.5	0	112.1	E1060 N1061 P1133 P1134 I1138	E1060-K1136 WeakPolarHBondContact CA-O 3.2Å; N1061-K1136 PolarHBondContact N-O 3.26Å; N1061-K1136 VanDerWaalsContact N-O 3.09Å; P1133-K1136 HydrophobicContact CB-CB 4.27Å; P1133-K1136 HydrophobicContact CB-CG 4.06Å; P1133-K1136 PolarHBondContact O-N 2.75Å; P1134-K1136 PolarHBondContact O-N 3.43Å; K1136-I1138 HydrophobicContact CB-CD1 3.99Å
1137	I	95.3	Very high	94.1	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.062	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.5	163.6	-59.4	168.9	0	0	0	106.2	Y150 I154 L192 L1036 R1058 F1059 E1060 L1092	Y150-I1137 HydrophobicContact CD2-CD1 4.04Å; Y150-I1137 HydrophobicContact CE2-CD1 4Å; I154-I1137 HydrophobicContact CD1-CD1 3.87Å; L192-I1137 HydrophobicContact CD2-CD1 4.28Å; L1036-I1137 HydrophobicContact CD2-CD1 4.11Å; L1036-I1137 HydrophobicContact CD2-CG1 4.44Å; L1036-I1137 HydrophobicContact CD2-CG2 3.75Å; R1058-I1137 HydrophobicContact CB-CG2 4.39Å; F1059-I1137 CarbonylContact O-C 3.54Å; F1059-I1137 WeakPolarHBondContact O-CA 3.33Å; E1060-I1137 HydrophobicContact CB-CG1 3.99Å; E1060-I1137 HydrophobicContact CG-CG1 3.77Å; L1092-I1137 HydrophobicContact CD1-CB 4.32Å; L1092-I1137 HydrophobicContact CD1-CG2 3.75Å
1138	I	96.3	Very high	93	Very high	14 Å²	14	32 Å²	32	7%	0.072	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.6	175.5	-47.8	-64.6	0	0	0	109.1	R1058 F1059 E1089 N1120 I1132 P1133 K1136 Y1140	R1058-I1138 WeakPolarHBondContact CA-O 3.37Å; F1059-I1138 PolarHBondContact N-O 3.42Å; F1059-I1138 PolarHBondContact O-N 2.87Å; E1089-I1138 HydrophobicContact CG-CG2 4.25Å; N1120-I1138 HydrophobicContact CB-CG2 4.47Å; I1132-I1138 HydrophobicContact CD1-CB 4.39Å; I1132-I1138 HydrophobicContact CD1-CG1 4.47Å; I1132-I1138 HydrophobicContact CG2-CG1 4.13Å; P1133-I1138 HydrophobicContact CG-CD1 4.22Å; K1136-I1138 HydrophobicContact CB-CD1 3.99Å; I1138-Y1140 HydrophobicContact CB-CE2 3.99Å; I1138-Y1140 HydrophobicContact CG2-CD2 4.13Å; I1138-Y1140 HydrophobicContact CG2-CE1 4.04Å; I1138-Y1140 HydrophobicContact CG2-CE2 3.39Å; I1138-Y1140 WeakPolarHBondContact CG2-OH 3.15Å
1139	T	98.1	Very high	91	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.6	-178.3	-56.9	0	0	0	0	109.9	L1056 R1058 M1090 T1091 L1092 A1094	L1056-T1139 HydrophobicContact CD1-CG2 3.47Å; L1056-T1139 VanDerWaalsContact CD1-CG2 3.47Å; R1058-T1139 HydrophobicContact CG-CG2 3.97Å; R1058-T1139 PolarHBondContact NE-OG1 3.45Å; M1090-T1139 HydrophobicContact CB-CG2 4.15Å; M1090-T1139 PolarHBondContact N-O 2.79Å; T1091-T1139 WeakPolarHBondContact O-CB 3.3Å; T1091-T1139 WeakPolarHBondContact O-CG2 3.44Å; T1091-T1139 PolarHBondContact O-OG1 3.24Å; L1092-T1139 PolarHBondContact O-OG1 3.43Å; A1094-T1139 HydrophobicContact CB-CG2 4.08Å
1140	Y	98.2	Very high	88.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.1	175.2	-63.3	-73.6	0	0	0	111.5	V1057 V1087 T1088 E1089 N1120 Y1121 L1130 I1132 I1138	V1057-Y1140 PolarHBondContact N-O 2.76Å; V1057-Y1140 PolarHBondContact O-N 3.25Å; V1087-Y1140 HydrophobicContact CG2-CD1 3.51Å; V1087-Y1140 HydrophobicContact CG2-CE1 4.05Å; V1087-Y1140 HydrophobicContact CG2-CG 4.16Å; T1088-Y1140 VanDerWaalsContact O-CA 3.32Å; T1088-Y1140 WeakPolarHBondContact O-CA 3.31Å; E1089-Y1140 HydrophobicContact CB-CD1 4.09Å; E1089-Y1140 HydrophobicContact CB-CE1 3.82Å; E1089-Y1140 HydrophobicContact CG-CD1 4.48Å; E1089-Y1140 HydrophobicContact CG-CE1 4.02Å; N1120-Y1140 VanDerWaalsContact C-OH 3.29Å; N1120-Y1140 WeakPolarHBondContact CB-OH 3.36Å; N1120-Y1140 PolarHBondContact O-OH 3.12Å; Y1121-Y1140 AromaticContact CD1-CE1 3.98Å; Y1121-Y1140 HydrophobicContact CD1-CE1 3.98Å; Y1121-Y1140 HydrophobicContact CG-CE1 4.5Å; L1130-Y1140 HydrophobicContact CB-CE2 4.22Å; L1130-Y1140 HydrophobicContact CD1-CD2 3.99Å; L1130-Y1140 HydrophobicContact CD1-CE2 4.08Å; L1130-Y1140 HydrophobicContact CD2-CD1 4.45Å; L1130-Y1140 HydrophobicContact CD2-CD2 4.27Å; L1130-Y1140 HydrophobicContact CD2-CE1 4.29Å; L1130-Y1140 HydrophobicContact CD2-CE2 4.09Å; L1130-Y1140 HydrophobicContact CD2-CG 4.43Å; L1130-Y1140 HydrophobicContact CG-CE2 4.36Å; I1132-Y1140 HydrophobicContact CD1-CE2 3.96Å; I1138-Y1140 HydrophobicContact CB-CE2 3.99Å; I1138-Y1140 HydrophobicContact CG2-CD2 4.13Å; I1138-Y1140 HydrophobicContact CG2-CE1 4.04Å; I1138-Y1140 HydrophobicContact CG2-CE2 3.39Å; I1138-Y1140 WeakPolarHBondContact CG2-OH 3.15Å
1141	I	97.6	Very high	87	Confident	14 Å²	14	38.6 Å²	38.6	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.9	155.7	-64.8	166.6	0	0	0	106.7	W1041 Q1054 I1055 T1088 M1090	W1041-I1141 HydrophobicContact CG-CG1 4.32Å; W1041-I1141 HydrophobicContact CZ2-CD1 4.47Å; Q1054-I1141 HydrophobicContact CB-CG2 4.17Å; Q1054-I1141 HydrophobicContact CG-CG2 4.16Å; I1055-I1141 WeakPolarHBondContact O-CA 3.43Å; T1088-I1141 PolarHBondContact N-O 2.82Å; T1088-I1141 PolarHBondContact O-N 2.69Å; M1090-I1141 HydrophobicContact CE-CD1 3.78Å; M1090-I1141 HydrophobicContact CG-CB 4.5Å; M1090-I1141 HydrophobicContact CG-CD1 3.7Å; M1090-I1141 HydrophobicContact CG-CG1 3.85Å; M1090-I1141 HydrophobicContact SD-CD1 3.89Å
1142	L	97.4	Very high	84.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.8	177.5	-53.5	179.3	0	0	0	109.4	Q1054 I1055 V1057 F1079 I1084 D1086 V1087	Q1054-L1142 CarbonylContact C-O 3.52Å; Q1054-L1142 VanDerWaalsContact CA-O 3.25Å; Q1054-L1142 WeakPolarHBondContact CA-O 3.43Å; I1055-L1142 HydrophobicContact CD1-CB 4.26Å; I1055-L1142 HydrophobicContact CD1-CD1 4.08Å; I1055-L1142 HydrophobicContact CG1-CB 3.74Å; I1055-L1142 HydrophobicContact CG1-CD1 4.32Å; I1055-L1142 HydrophobicContact CG1-CG 4.35Å; I1055-L1142 PolarHBondContact N-O 3.14Å; I1055-L1142 PolarHBondContact O-N 2.95Å; V1057-L1142 HydrophobicContact CG1-CD1 3.63Å; V1057-L1142 HydrophobicContact CG1-CG 3.92Å; F1079-L1142 HydrophobicContact CE2-CD1 3.93Å; I1084-L1142 HydrophobicContact CD1-CB 4.07Å; I1084-L1142 HydrophobicContact CD1-CD1 4.24Å; I1084-L1142 HydrophobicContact CG1-CD1 4.39Å; I1084-L1142 HydrophobicContact CG2-CB 4.03Å; I1084-L1142 HydrophobicContact CG2-CD2 4.35Å; D1086-L1142 WeakPolarHBondContact O-CA 3.42Å; V1087-L1142 HydrophobicContact CB-CD2 3.73Å; V1087-L1142 HydrophobicContact CG2-CD2 3.56Å
1143	T	96	Very high	82.3	Confident	33 Å²	33	45.1 Å²	45.1	20%	0.202	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135	172.9	-51.3	0	0	0	0	109.1	N1053 Q1054 T1085 D1086	N1053-T1143 CarbonylContact O-C 3.51Å; N1053-T1143 WeakPolarHBondContact O-CA 3.42Å; Q1054-T1143 HydrophobicContact CG-CG2 4.19Å; Q1054-T1143 PolarHBondContact NE2-OG1 3.2Å; T1085-T1143 PolarHBondContact N-O 3.08Å; T1085-T1143 PolarHBondContact OG1-O 3.21Å; D1086-T1143 PolarHBondContact N-O 2.73Å; D1086-T1143 PolarHBondContact O-N 3.04Å
1144	Y	93.4	Very high	79.5	Confident	24 Å²	24	53.6 Å²	53.6	9%	0.094	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	164.5	-174	68.5	-94.6	0	0	0	113.2	H418 N1053 Q1054 I1055 I1082 T1083 I1146	H418-Y1144 AromaticContact CD2-CE2 3.97Å; H418-Y1144 AromaticContact CD2-CZ 3.95Å; H418-Y1144 AromaticContact NE2-CE2 3.79Å; H418-Y1144 AromaticContact NE2-CZ 3.51Å; H418-Y1144 PolarHBondContact NE2-OH 2.97Å; N1053-Y1144 HydrophobicContact CB-CD1 4.19Å; N1053-Y1144 HydrophobicContact CB-CD2 3.89Å; N1053-Y1144 HydrophobicContact CB-CE1 4.02Å; N1053-Y1144 HydrophobicContact CB-CE2 3.7Å; N1053-Y1144 HydrophobicContact CB-CG 4.12Å; N1053-Y1144 WeakPolarHBondContact CB-O 3.3Å; N1053-Y1144 WeakPolarHBondContact O-CD1 3.48Å; N1053-Y1144 WeakPolarHBondContact O-CE1 3.39Å; N1053-Y1144 PolarHBondContact O-N 2.68Å; Q1054-Y1144 VanDerWaalsContact N-CE1 3.32Å; I1055-Y1144 HydrophobicContact CG2-CD1 4.05Å; I1055-Y1144 HydrophobicContact CG2-CE1 3.67Å; I1082-Y1144 HydrophobicContact CB-CD2 3.73Å; I1082-Y1144 HydrophobicContact CB-CE2 4.45Å; I1082-Y1144 HydrophobicContact CB-CG 4.15Å; I1082-Y1144 HydrophobicContact CD1-CD1 4.01Å; I1082-Y1144 HydrophobicContact CD1-CD2 3.99Å; I1082-Y1144 HydrophobicContact CD1-CG 3.71Å; I1082-Y1144 HydrophobicContact CG1-CD2 4.48Å; I1082-Y1144 HydrophobicContact CG2-CD2 3.47Å; I1082-Y1144 VanDerWaalsContact CG2-CD2 3.47Å; I1082-Y1144 HydrophobicContact CG2-CE2 3.71Å; I1082-Y1144 HydrophobicContact CG2-CG 4.29Å; T1083-Y1144 CarbonylContact O-C 3.55Å; T1083-Y1144 VanDerWaalsContact O-CA 3.25Å; T1083-Y1144 WeakPolarHBondContact O-CA 3.49Å; T1083-Y1144 WeakPolarHBondContact O-CB 3.45Å; Y1144-I1146 HydrophobicContact CE2-CG1 4.16Å
1145	K	91.5	Very high	78.9	Confident	114 Å²	114	55.7 Å²	55.7	50%	0.496	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.9	163.9	63.4	178.1	-176.6	173.9	0	109.3	I1082 T1083 T1085	I1082-K1145 VanDerWaalsContact CA-O 3.32Å; I1082-K1145 WeakPolarHBondContact CA-O 3.49Å; T1083-K1145 PolarHBondContact N-O 3.36Å; T1083-K1145 PolarHBondContact O-N 2.95Å; T1085-K1145 HydrophobicContact CG2-CB 4.27Å; T1085-K1145 HydrophobicContact CG2-CD 4.16Å; T1085-K1145 HydrophobicContact CG2-CG 3.93Å
1146	I	88	Confident	78.4	Confident	55 Å²	55	58.4 Å²	58.4	28%	0.282	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.2	172.2	-70.9	169.4	0	0	0	108.3	P420 I1082 Y1144 Y1151	P420-I1146 HydrophobicContact CG-CG2 4.43Å; I1082-I1146 HydrophobicContact CG2-CG1 4.43Å; Y1144-I1146 HydrophobicContact CE2-CG1 4.16Å; I1146-Y1151 HydrophobicContact CG2-CE2 3.87Å; I1146-Y1151 WeakPolarHBondContact CG2-OH 3.26Å
1147	D	86.6	Confident	77.7	Confident	37 Å²	37	57.3 Å²	57.3	20%	0.198	32%	0.315	C	S	.	.			trans	-82.1	123.4	176.3	-61.8	-26.9	0	0	0	109.6	G1081 I1082 T1083 S1149	G1081-D1147 PolarHBondContact O-N 2.86Å; I1082-D1147 PolarHBondContact N-OD2 3.38Å; T1083-D1147 WeakPolarHBondContact CB-OD1 3.13Å; T1083-D1147 PolarHBondContact N-OD1 2.87Å; T1083-D1147 PolarHBondContact OG1-OD1 2.98Å; D1147-S1149 PolarHBondContact O-N 2.95Å; D1147-S1149 VanDerWaalsContact O-N 3.08Å
1148	D	70.5	Confident	76.7	Confident	172 Å²	172	59.9 Å²	59.9	92%	0.92	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.9	-173	-70.6	-37.8	0	0	0	114.8
1149	S	56	Low	75.4	Confident	115 Å²	115	62.8 Å²	62.8	80%	0.804	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	15	-158.1	69.1	0	0	0	0	117.6	D1147	D1147-S1149 PolarHBondContact O-N 2.95Å; D1147-S1149 VanDerWaalsContact O-N 3.08Å
1150	S	52.7	Low	73.9	Confident	38 Å²	38	66.8 Å²	66.8	27%	0.266	37%	0.367	S	S	.	.			trans	-138.1	2.3	-160.3	59.5	0	0	0	0	119.4	Y1080 F1152	Y1080-S1150 PolarHBondContact OH-O 2.82Å; S1150-F1152 PolarHBondContact O-N 3.37Å
1151	Y	56.5	Low	72.2	Confident	25 Å²	25	71.6 Å²	71.6	10%	0.098	39%	0.394	C	S	.	.	S	Bend	trans	-69.9	-31.8	-167.3	-76.9	-72.9	0	0	0	116.3	H418 I419 P420 Y1080 G1081 I1146	H418-Y1151 HydrophobicContact CB-CE1 3.74Å; H418-Y1151 VanDerWaalsContact CB-OH 3.25Å; H418-Y1151 WeakPolarHBondContact CB-OH 3.36Å; H418-Y1151 WeakPolarHBondContact O-CE2 3.42Å; H418-Y1151 PolarHBondContact O-OH 3.14Å; I419-Y1151 HydrophobicContact CB-CD1 4.22Å; I419-Y1151 HydrophobicContact CB-CG 4.41Å; I419-Y1151 HydrophobicContact CD1-CD1 4.44Å; I419-Y1151 HydrophobicContact CG1-CD1 3.34Å; I419-Y1151 HydrophobicContact CG1-CE1 3.89Å; I419-Y1151 HydrophobicContact CG1-CG 3.87Å; P420-Y1151 HydrophobicContact CG-CE2 4.31Å; Y1080-Y1151 HydrophobicContact CE1-CD1 4.29Å; Y1080-Y1151 PolarHBondContact OH-O 3.1Å; G1081-Y1151 PolarHBondContact O-OH 2.93Å; I1146-Y1151 HydrophobicContact CG2-CE2 3.87Å; I1146-Y1151 WeakPolarHBondContact CG2-OH 3.26Å
1152	F	52.4	Low	70.2	Confident	62 Å²	62	76 Å²	76	27%	0.272	42%	0.418	S	S	.	.			trans	-153.5	119	167.6	-66.2	-77.4	0	0	0	107.9	I419 L482 P484 S1150 D1154	I419-F1152 HydrophobicContact CD1-CE2 3.91Å; I419-F1152 HydrophobicContact CD1-CZ 4.26Å; L482-F1152 VanDerWaalsContact C-CZ 3.47Å; L482-F1152 WeakPolarHBondContact O-CE1 3.18Å; L482-F1152 WeakPolarHBondContact O-CZ 3.2Å; P484-F1152 HydrophobicContact CG-CD1 4.43Å; S1150-F1152 PolarHBondContact O-N 3.37Å; F1152-D1154 PolarHBondContact O-N 3.1Å
1153	P	38.5	Very low	68	Low	116 Å²	116	82.3 Å²	82.3	75%	0.753	45%	0.453	S	S	*	.			trans	-60	131.8	152.6	-1.7	16.8	0	0	0	106.8
1154	D	33.6	Very low	65.4	Low	197 Å²	197	86.8 Å²	86.8	100%	1.053	48%	0.476	S	S	*	.			trans	-48.9	0	176.1	-81.3	-40.6	0	0	0	113.3	H486 F1152	H486-D1154 PolarHBondContact CE1-OXT 3.17Å; F1152-D1154 PolarHBondContact O-N 3.1Å

Retrieved 1,154 of 1,154 residues in 367.5 ms (Link to these results)

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