A0A5K4F3T4_SCHMA Loading...

DNA helicase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3T4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,046 aa.

						>A0A5K4F3T4_SCHMA|A0A5K4F3T4
MDDDFYNDSIGDQILLELNITNFTPTVTDKNKEITGSTENEINSVNDKLHSLITTPDQFIDFPYPKPYSQQLELMQTVYKTLESNCCGIFESPTGTGKSLSLLTATLRWLLDYNEKQIILLNSLQSQLKLMNHENKENNSKEYDWIMEYDKNRLLKQQIEPQIEDLLIYQSNLQLIEKIKSSSTSSSSLPFKHQTDFSNVDEMTLTEANSENIDIDQLKNIIDISNDQYDCDDELFLCKPDENLFDKHKISELDEIELDQQFESQQQSDNGLLRIIYCSRTHSQLGQVAKEFAKCKTLFNKVTIIQLSSRHLLCTNETIFQLKHPDLINIACLELNRSRNREQGESKSFRCPMRNSTAVNNLSKHLLIGNSALNITSTIRDRKSSKSSKSTSVLSNSSKECQKDEKNLNDTQLSSHIGCPYYANRKGLPLAQLVLVPYSSLLQPSNRLTSGLKLKNSIVIIDEAHNLLEATASSMSVSLSLVNDLYKLEELFSGYLQYYRSRLSSVLALRLRQIKHFIQQLKVYLNTTLKHIQLSISSMSDNVIIKTVNKLFSESNLDNINLGEFIDCLEYQHFIMKLIGFSKWYNNNNNTQQNSKQLDNVSISQTTCSQMTNLLNSMKRKYSNANSQCGDISQVCISNKKSKIDIEKSEGIGSSLFKFHSFLQALEFCEEDARIIIEPVKNSTKLNLSTSSSDLSSSSSNLADDSQDLCLRVVFLNPGRYLKDLVQEARSVLLVGGTMQPFNEAIEQIFIPSGKLSNQIVTFTCDHVINAKKQLAVYPLGVHSHQSNGEVFSLDFTYQNRSNPHMIDACGEVILQICQQLPAGIVVFTPSYEYQSILHNRWEATGLLNKIEKYKSLFHEPKTTTHLDQIMQAYGVAATQKLKHKHGALLLCVIGGKLSEGINFTDDLARVVIIIGMPYANPQSPILREKMIYLDKHFIRDSQSTQNPGRQYYETMCMRLINQAIGRSIRHAKDYAAVFLMDNRYYRSTIQSQLPKWVQQSVIRQQLNDKQSISLSSSDHHRKFLNLSEALEHAKRFFSCNKESLE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	43.8	Very low	57.9	Low	186 Å²	186	92.7 Å²	92.7	92%	0.916	49%	0.491	S	S	*	.				0	-77	0	-71.4	-62.2	-140.3	0	0	109.2	D3 D4 F5	M1-D3 PolarHBondContact O-N 3.48Å; M1-D4 PolarHBondContact N-OD2 3.23Å; M1-D4 PolarHBondContact O-N 3.31Å; M1-D4 VanDerWaalsContact O-N 3.17Å; M1-F5 PolarHBondContact O-N 3.33Å
2	D	42.4	Very low	58.9	Low	94 Å²	94	88.2 Å²	88.2	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-42.2	-180	-64.4	-2.5	0	0	0	112.6	D4 F5 Y6 N139	D2-D4 PolarHBondContact O-N 3.06Å; D2-F5 PolarHBondContact O-N 2.99Å; D2-Y6 WeakPolarHBondContact O-CD2 3.4Å; D2-Y6 PolarHBondContact O-N 3.32Å; D2-N139 PolarHBondContact OD2-ND2 3.23Å
3	D	45.6	Very low	59.5	Low	79 Å²	79	91 Å²	91	42%	0.422	48%	0.476	S	S	.	.	H	α-helix	trans	-62.7	-28	176.6	-90.8	-44.9	0	0	0	114.6	M1 N7 K136	M1-D3 PolarHBondContact O-N 3.48Å; D3-N7 PolarHBondContact O-ND2 3.46Å; D3-K136 WeakPolarHBondContact OD1-CE 3.24Å; D3-K136 IonicContact OD1-NZ 3.75Å; D3-K136 PolarHBondContact OD1-NZ 2.76Å; D3-K136 IonicContact OD2-NZ 3.27Å; D3-K136 PolarHBondContact OD2-NZ 2.82Å
4	D	57.7	Low	60.2	Low	115 Å²	115	90.9 Å²	90.9	62%	0.615	48%	0.475	S	S	*	.	H	α-helix	trans	-81.6	-34.5	-178.9	-54.9	-54.6	0	0	0	110.4	M1 D2 D8	M1-D4 PolarHBondContact N-OD2 3.23Å; M1-D4 PolarHBondContact O-N 3.31Å; M1-D4 VanDerWaalsContact O-N 3.17Å; D2-D4 PolarHBondContact O-N 3.06Å; D4-D8 PolarHBondContact O-N 3.4Å
5	F	58	Low	60.4	Low	127 Å²	127	90.3 Å²	90.3	56%	0.557	47%	0.472	S	S	*	.	H	α-helix	trans	-69.2	-40.1	178.2	-170.9	-98.3	0	0	0	112.3	M1 D2 N7	M1-F5 PolarHBondContact O-N 3.33Å; D2-F5 PolarHBondContact O-N 2.99Å; F5-N7 VanDerWaalsContact C-N 3.31Å; F5-N7 PolarHBondContact O-N 3.06Å
6	Y	51.3	Low	60.2	Low	44 Å²	44	91.8 Å²	91.8	17%	0.173	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.2	-178.4	-74.8	-70.1	0	0	0	115	D2 N135 Y149	D2-Y6 WeakPolarHBondContact O-CD2 3.4Å; D2-Y6 PolarHBondContact O-N 3.32Å; Y6-N135 HydrophobicContact CD1-CB 3.92Å; Y6-N135 HydrophobicContact CD2-CB 4.3Å; Y6-N135 HydrophobicContact CE1-CB 3.7Å; Y6-N135 HydrophobicContact CE2-CB 4.13Å; Y6-N135 HydrophobicContact CG-CB 4.23Å; Y6-N135 PolarHBondContact OH-O 2.95Å; Y6-Y149 HydrophobicContact CD1-CD2 4.25Å; Y6-Y149 HydrophobicContact CD1-CE2 4.27Å; Y6-Y149 HydrophobicContact CE1-CD2 4.13Å
7	N	55.6	Low	60.6	Low	90 Å²	90	95.8 Å²	95.8	48%	0.481	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	12.9	-179.1	-64.2	-51	0	0	0	112.7	D3 F5 S9	D3-N7 PolarHBondContact O-ND2 3.46Å; F5-N7 VanDerWaalsContact C-N 3.31Å; F5-N7 PolarHBondContact O-N 3.06Å; N7-S9 VanDerWaalsContact C-N 3.29Å; N7-S9 PolarHBondContact O-N 3.33Å
8	D	69.8	Low	59.9	Low	72 Å²	72	96.1 Å²	96.1	39%	0.385	50%	0.497	S	S	.	.			trans	-77.8	76.2	-179.7	-171	9.7	0	0	0	112.1	D4 I10 G11 D12	D4-D8 PolarHBondContact O-N 3.4Å; D8-I10 PolarHBondContact O-N 2.95Å; D8-I10 VanDerWaalsContact O-N 3.1Å; D8-I10 WeakPolarHBondContact OD1-CB 3.49Å; D8-I10 PolarHBondContact OD1-N 2.94Å; D8-G11 PolarHBondContact O-N 3.3Å; D8-G11 VanDerWaalsContact O-N 3.1Å; D8-G11 PolarHBondContact OD1-N 3.25Å; D8-G11 WeakPolarHBondContact OD2-CA 3.33Å; D8-G11 PolarHBondContact OD2-N 3.44Å; D8-D12 PolarHBondContact O-N 2.95Å
9	S	69.5	Low	59.2	Low	86 Å²	86	98.6 Å²	98.6	60%	0.601	51%	0.512	S	S	*	.	H	α-helix	trans	-53.6	-26.3	172.9	58.6	0	0	0	0	113.5	N7 Q13	N7-S9 VanDerWaalsContact C-N 3.29Å; N7-S9 PolarHBondContact O-N 3.33Å; S9-Q13 PolarHBondContact O-N 3.14Å
10	I	72.1	Confident	58.4	Low	108 Å²	108	100 Å²	100	55%	0.554	52%	0.519	S	S	*	.	H	α-helix	trans	-77.5	-45	178.4	-62.4	167.2	0	0	0	109.8	D8 D12 Q13 I14	D8-I10 PolarHBondContact O-N 2.95Å; D8-I10 VanDerWaalsContact O-N 3.1Å; D8-I10 WeakPolarHBondContact OD1-CB 3.49Å; D8-I10 PolarHBondContact OD1-N 2.94Å; I10-D12 VanDerWaalsContact C-N 3.28Å; I10-D12 PolarHBondContact O-N 3.03Å; I10-Q13 WeakPolarHBondContact O-CB 3.19Å; I10-Q13 PolarHBondContact O-N 2.89Å; I10-Q13 VanDerWaalsContact O-N 3.09Å; I10-I14 HydrophobicContact CG2-CD1 4.14Å; I10-I14 WeakPolarHBondContact O-CG1 3.09Å; I10-I14 PolarHBondContact O-N 3.43Å
11	G	71.3	Confident	57.6	Low	19 Å²	19	100.3 Å²	100.3	20%	0.196	53%	0.525	C	S	.	.	H	α-helix	trans	-57.4	-41.1	172.5	0	0	0	0	0	112.5	D8 Q13 I14 L15	D8-G11 PolarHBondContact O-N 3.3Å; D8-G11 VanDerWaalsContact O-N 3.1Å; D8-G11 PolarHBondContact OD1-N 3.25Å; D8-G11 WeakPolarHBondContact OD2-CA 3.33Å; D8-G11 PolarHBondContact OD2-N 3.44Å; G11-Q13 VanDerWaalsContact C-N 3.3Å; G11-Q13 PolarHBondContact O-N 3.14Å; G11-I14 PolarHBondContact O-N 3.02Å; G11-L15 WeakPolarHBondContact O-CG 3.37Å; G11-L15 PolarHBondContact O-N 2.94Å
12	D	69.9	Low	57.3	Low	38 Å²	38	97.8 Å²	97.8	20%	0.203	52%	0.515	C	S	.	.	H	α-helix	trans	-60.6	-38.6	173.3	-88.9	-39.9	0	0	0	112.9	D8 I10 L16 Y149 R153	D8-D12 PolarHBondContact O-N 2.95Å; I10-D12 VanDerWaalsContact C-N 3.28Å; I10-D12 PolarHBondContact O-N 3.03Å; D12-L16 PolarHBondContact O-N 2.88Å; D12-L16 VanDerWaalsContact O-N 3.12Å; D12-Y149 PolarHBondContact OD1-OH 2.82Å; D12-R153 PolarHBondContact O-NH2 3.08Å; D12-R153 WeakPolarHBondContact OD1-CD 3.4Å; D12-R153 IonicContact OD1-CZ 3.72Å; D12-R153 IonicContact OD1-NE 3.01Å; D12-R153 PolarHBondContact OD1-NE 3.05Å; D12-R153 IonicContact OD1-NH2 3.51Å
13	Q	67	Low	56.9	Low	125 Å²	125	102.9 Å²	102.9	58%	0.584	53%	0.533	S	S	*	.	H	α-helix	trans	-70.9	-36	177.4	-157.9	171.5	16.3	0	0	111.9	S9 I10 G11 L16 E17	S9-Q13 PolarHBondContact O-N 3.14Å; I10-Q13 WeakPolarHBondContact O-CB 3.19Å; I10-Q13 PolarHBondContact O-N 2.89Å; I10-Q13 VanDerWaalsContact O-N 3.09Å; G11-Q13 VanDerWaalsContact C-N 3.3Å; G11-Q13 PolarHBondContact O-N 3.14Å; Q13-L16 WeakPolarHBondContact O-CB 3.44Å; Q13-L16 PolarHBondContact O-N 3.41Å; Q13-E17 PolarHBondContact O-N 3.34Å
14	I	68.5	Low	56.3	Low	90 Å²	90	105.2 Å²	105.2	46%	0.462	55%	0.551	S	S	.	*	H	α-helix	trans	-69.2	-39.5	174.1	-66.7	167.6	0	0	0	111	I10 G11 L16 E17 L18	I10-I14 HydrophobicContact CG2-CD1 4.14Å; I10-I14 WeakPolarHBondContact O-CG1 3.09Å; I10-I14 PolarHBondContact O-N 3.43Å; G11-I14 PolarHBondContact O-N 3.02Å; I14-L16 VanDerWaalsContact C-N 3.26Å; I14-L16 PolarHBondContact O-N 3.01Å; I14-E17 PolarHBondContact O-N 3.37Å; I14-E17 VanDerWaalsContact O-N 3.14Å; I14-L18 HydrophobicContact CG2-CD1 4.12Å; I14-L18 PolarHBondContact O-N 2.72Å; I14-L18 VanDerWaalsContact O-N 3.14Å
15	L	63	Low	55.1	Low	81 Å²	81	105.4 Å²	105.4	42%	0.424	56%	0.558	S	S	.	*	H	α-helix	trans	-64.1	-30.8	174.5	-79	166.4	0	0	0	112.4	G11 E17 L18	G11-L15 WeakPolarHBondContact O-CG 3.37Å; G11-L15 PolarHBondContact O-N 2.94Å; L15-E17 VanDerWaalsContact C-N 3.32Å; L15-L18 PolarHBondContact O-N 3.16Å
16	L	57.4	Low	53.9	Low	114 Å²	114	105.4 Å²	105.4	60%	0.597	57%	0.569	S	S	*	*	H	α-helix	trans	-65.1	-34.2	172.3	-87.7	156.6	0	0	0	112.7	D12 Q13 I14	D12-L16 PolarHBondContact O-N 2.88Å; D12-L16 VanDerWaalsContact O-N 3.12Å; Q13-L16 WeakPolarHBondContact O-CB 3.44Å; Q13-L16 PolarHBondContact O-N 3.41Å; I14-L16 VanDerWaalsContact C-N 3.26Å; I14-L16 PolarHBondContact O-N 3.01Å
17	E	66.7	Low	52.9	Low	160 Å²	160	109.6 Å²	109.6	75%	0.748	60%	0.598	S	S	*	*	H	α-helix	trans	-78	-26.6	177.6	-67.5	-175.5	170.2	0	0	112.3	Q13 I14 L15 N19	Q13-E17 PolarHBondContact O-N 3.34Å; I14-E17 PolarHBondContact O-N 3.37Å; I14-E17 VanDerWaalsContact O-N 3.14Å; L15-E17 VanDerWaalsContact C-N 3.32Å; E17-N19 PolarHBondContact O-N 3.15Å
18	L	48.8	Very low	51.8	Low	101 Å²	101	111.3 Å²	111.3	53%	0.529	61%	0.612	S	S	.	*			trans	-86.7	85	176.4	-67.1	170	0	0	0	110	I14 L15 I20	I14-L18 HydrophobicContact CG2-CD1 4.12Å; I14-L18 PolarHBondContact O-N 2.72Å; I14-L18 VanDerWaalsContact O-N 3.14Å; L15-L18 PolarHBondContact O-N 3.16Å; L18-I20 HydrophobicContact CB-CG1 4.29Å; L18-I20 PolarHBondContact O-N 3.33Å
19	N	45.9	Very low	49.9	Very low	145 Å²	145	114.5 Å²	114.5	78%	0.775	63%	0.63	S	S	*	*			trans	-58	76.6	165.9	-97.8	-34.3	0	0	0	111.3	E17 T21	E17-N19 PolarHBondContact O-N 3.15Å; N19-T21 PolarHBondContact O-N 3.39Å
20	I	44.6	Very low	48.1	Very low	126 Å²	126	120 Å²	120	65%	0.646	64%	0.642	S	S	*	*			trans	-78.9	77.3	174.7	-56.4	171.9	0	0	0	108	L18	L18-I20 HydrophobicContact CB-CG1 4.29Å; L18-I20 PolarHBondContact O-N 3.33Å
21	T	40.6	Very low	46	Very low	106 Å²	106	122.5 Å²	122.5	65%	0.65	66%	0.657	S	S	*	*			trans	-70.8	120.4	159.4	51.1	0	0	0	0	108.2	N19	N19-T21 PolarHBondContact O-N 3.39Å
22	N	37	Very low	44	Very low	134 Å²	134	130.7 Å²	130.7	72%	0.717	69%	0.687	S	S	*	*			trans	133.9	76.2	155.6	-65.8	-22.3	0	0	0	113.5
23	F	34.2	Very low	41.9	Very low	201 Å²	201	138.1 Å²	138.1	88%	0.882	72%	0.721	S	S	*	*			trans	-133.2	80.8	146.9	-87.8	-81.3	0	0	0	108.2	P25	F23-P25 WeakPolarHBondContact O-CD 3.47Å
24	T	33.1	Very low	40.1	Very low	128 Å²	128	139.8 Å²	139.8	79%	0.785	73%	0.732	S	S	*	*			trans	-71	114.2	163	41.7	0	0	0	0	107.9	T26	T24-T26 PolarHBondContact O-N 3.32Å
25	P	32.9	Very low	38.2	Very low	119 Å²	119	141.6 Å²	141.6	77%	0.773	75%	0.748	S	S	*	*			trans	-73.6	119.4	178.6	4.7	10.1	0	0	0	108.5	F23 V27	F23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-V27 PolarHBondContact O-N 3.39Å; P25-V27 VanDerWaalsContact O-N 3.1Å
26	T	32.3	Very low	36.6	Very low	127 Å²	127	141.6 Å²	141.6	78%	0.779	77%	0.767	S	S	*	*			trans	-64.5	109.9	169.8	43.1	0	0	0	0	109.1	T24 T28	T24-T26 PolarHBondContact O-N 3.32Å; T26-T28 PolarHBondContact O-N 3.09Å
27	V	30.6	Very low	35.4	Very low	131 Å²	131	140.5 Å²	140.5	79%	0.794	77%	0.769	S	S	*	*			trans	-53.2	112	169.4	178.3	0	0	0	0	109.3	P25	P25-V27 PolarHBondContact O-N 3.39Å; P25-V27 VanDerWaalsContact O-N 3.1Å
28	T	32.2	Very low	33.6	Very low	126 Å²	126	137.8 Å²	137.8	77%	0.773	76%	0.763	S	S	*	*			trans	-125.1	114.3	160.2	50.3	0	0	0	0	109.1	T26 K30	T26-T28 PolarHBondContact O-N 3.09Å; T28-K30 PolarHBondContact O-N 3.08Å
29	D	30.4	Very low	32.8	Very low	140 Å²	140	140.8 Å²	140.8	75%	0.749	77%	0.774	S	S	*	*			trans	-44.9	114.7	175.5	-72.7	-48	0	0	0	113.4
30	K	31.8	Very low	32.3	Very low	200 Å²	200	140.3 Å²	140.3	87%	0.87	77%	0.772	S	S	*	*			trans	-146.1	90.4	143	-73.4	-162.8	179.5	169.4	0	109.9	T28 K32	T28-K30 PolarHBondContact O-N 3.08Å; K30-K32 PolarHBondContact O-N 3.48Å; K30-K32 VanDerWaalsContact O-N 3.08Å
31	N	27.3	Very low	31.8	Very low	161 Å²	161	141 Å²	141	86%	0.861	77%	0.772	S	S	*	*			trans	-53.6	108.2	158.9	-75.6	-27.3	0	0	0	109.6
32	K	29.4	Very low	31.5	Very low	192 Å²	192	141.6 Å²	141.6	84%	0.835	77%	0.77	S	S	*	*			trans	-135.6	110.8	151.4	-88.9	-169.4	174.6	-177.2	0	108.1	K30 I34	K30-K32 PolarHBondContact O-N 3.48Å; K30-K32 VanDerWaalsContact O-N 3.08Å; K32-I34 PolarHBondContact O-N 3.17Å; K32-I34 VanDerWaalsContact O-N 3.16Å
33	E	26.2	Very low	31.4	Very low	193 Å²	193	140 Å²	140	90%	0.902	76%	0.762	S	S	*	*			trans	-46.8	112.8	168.6	-64.6	168.4	153.9	0	0	109.7
34	I	29.6	Very low	31.5	Very low	160 Å²	160	132.9 Å²	132.9	82%	0.821	74%	0.737	S	S	*	*			trans	-115.9	104.5	160	-61.2	179.3	0	0	0	105.5	K32	K32-I34 PolarHBondContact O-N 3.17Å; K32-I34 VanDerWaalsContact O-N 3.16Å
35	T	28.2	Very low	31.7	Very low	129 Å²	129	130.1 Å²	130.1	79%	0.791	72%	0.72	S	S	*	*			trans	-58.2	137.9	179.9	45.6	0	0	0	0	112.2
36	G	29.3	Very low	32	Very low	80 Å²	80	128.2 Å²	128.2	83%	0.825	70%	0.703	S	S	*	*			trans	-68.6	145	-171.7	0	0	0	0	0	116.3
37	S	31.6	Very low	32.5	Very low	91 Å²	91	128 Å²	128	64%	0.636	70%	0.698	S	S	*	*			trans	-149	-14.2	160.1	54.6	0	0	0	0	114
38	T	30.8	Very low	33.1	Very low	103 Å²	103	129.5 Å²	129.5	63%	0.632	69%	0.693	S	S	*	*	S	Bend	trans	-89.8	-27.5	-171.5	41.8	0	0	0	0	115.7	N40 E41	T38-N40 VanDerWaalsContact C-N 3.28Å; T38-N40 PolarHBondContact O-N 2.74Å; T38-E41 PolarHBondContact O-N 3.5Å
39	E	31.9	Very low	33.8	Very low	164 Å²	164	125.5 Å²	125.5	77%	0.766	67%	0.667	S	S	*	*	H	α-helix	trans	-70.2	-22.1	179.3	-77.8	-175.4	158.7	0	0	113.8
40	N	34.5	Very low	34.8	Very low	135 Å²	135	125.6 Å²	125.6	72%	0.722	66%	0.663	S	S	*	*	H	α-helix	trans	-78.9	-25.1	-179.9	-77	-21.1	0	0	0	113.4	T38 S44	T38-N40 VanDerWaalsContact C-N 3.28Å; T38-N40 PolarHBondContact O-N 2.74Å; N40-S44 PolarHBondContact O-N 2.78Å
41	E	33	Very low	36.2	Very low	141 Å²	141	119.7 Å²	119.7	66%	0.659	65%	0.647	S	S	*	*	H	α-helix	trans	-78.6	-37.2	-177.4	-73.1	-172.4	159.2	0	0	112.5	T38 S44 V45	T38-E41 PolarHBondContact O-N 3.5Å; E41-S44 PolarHBondContact O-N 3.41Å; E41-S44 PolarHBondContact O-OG 3.49Å; E41-V45 PolarHBondContact O-N 2.86Å
42	I	34.6	Very low	38.2	Very low	118 Å²	118	118 Å²	118	61%	0.605	64%	0.637	S	S	*	*	H	α-helix	trans	-68	-40	-178.1	-59.9	174.3	0	0	0	111.4	S44 N46	I42-S44 VanDerWaalsContact C-N 3.33Å; I42-S44 PolarHBondContact O-N 2.89Å; I42-N46 PolarHBondContact O-N 2.89Å
43	N	35.9	Very low	40.6	Very low	100 Å²	100	110.4 Å²	110.4	54%	0.535	61%	0.605	S	S	.	*	H	α-helix	trans	-67.3	-33.7	174.5	-74.1	-29.6	0	0	0	112	V45 N46 D47	N43-V45 VanDerWaalsContact C-N 3.31Å; N43-V45 PolarHBondContact O-N 2.96Å; N43-N46 PolarHBondContact O-N 3.19Å; N43-D47 WeakPolarHBondContact O-CB 3.4Å; N43-D47 VanDerWaalsContact O-CG 3.28Å; N43-D47 PolarHBondContact O-N 3.01Å
44	S	35.2	Very low	43.3	Very low	53 Å²	53	107.1 Å²	107.1	37%	0.371	60%	0.598	S	S	.	*	H	α-helix	trans	-66.8	-29.3	-178.6	87.8	0	0	0	0	114.1	N40 E41 I42 K48	N40-S44 PolarHBondContact O-N 2.78Å; E41-S44 PolarHBondContact O-N 3.41Å; E41-S44 PolarHBondContact O-OG 3.49Å; I42-S44 VanDerWaalsContact C-N 3.33Å; I42-S44 PolarHBondContact O-N 2.89Å; S44-K48 PolarHBondContact O-N 3.07Å
45	V	37.9	Very low	46	Very low	69 Å²	69	101 Å²	101	42%	0.418	57%	0.568	S	S	.	*	H	α-helix	trans	-81	-41.4	-179.9	178.9	0	0	0	0	110.7	E41 N43 D47 K48 L49	E41-V45 PolarHBondContact O-N 2.86Å; N43-V45 VanDerWaalsContact C-N 3.31Å; N43-V45 PolarHBondContact O-N 2.96Å; V45-D47 VanDerWaalsContact C-N 3.33Å; V45-D47 PolarHBondContact O-N 3.32Å; V45-K48 PolarHBondContact O-N 3.3Å; V45-L49 PolarHBondContact O-N 3.37Å
46	N	39.2	Very low	48.7	Very low	80 Å²	80	96.1 Å²	96.1	43%	0.428	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-36.8	173.1	-87.4	-10.4	0	0	0	112.2	I42 N43 K48 L49 H50	I42-N46 PolarHBondContact O-N 2.89Å; N43-N46 PolarHBondContact O-N 3.19Å; N46-K48 VanDerWaalsContact C-N 3.33Å; N46-K48 PolarHBondContact O-N 3.43Å; N46-L49 PolarHBondContact O-N 3.16Å; N46-H50 PolarHBondContact O-CD2 3.49Å; N46-H50 PolarHBondContact O-N 2.9Å; N46-H50 VanDerWaalsContact O-N 3.13Å
47	D	42.7	Very low	51.3	Low	123 Å²	123	98.7 Å²	98.7	66%	0.658	53%	0.534	S	S	*	.	H	α-helix	trans	-65.5	-34.6	175.7	-77.8	-19.6	0	0	0	112.5	N43 V45 S51	N43-D47 WeakPolarHBondContact O-CB 3.4Å; N43-D47 VanDerWaalsContact O-CG 3.28Å; N43-D47 PolarHBondContact O-N 3.01Å; V45-D47 VanDerWaalsContact C-N 3.33Å; V45-D47 PolarHBondContact O-N 3.32Å; D47-S51 PolarHBondContact O-N 3.32Å
48	K	43.7	Very low	53.8	Low	161 Å²	161	101.9 Å²	101.9	70%	0.7	54%	0.538	S	S	*	.	H	α-helix	trans	-71.6	-36.7	172.7	-78.8	179.3	180	173.7	0	112.4	S44 V45 N46 H50 S51	S44-K48 PolarHBondContact O-N 3.07Å; V45-K48 PolarHBondContact O-N 3.3Å; N46-K48 VanDerWaalsContact C-N 3.33Å; N46-K48 PolarHBondContact O-N 3.43Å; K48-H50 VanDerWaalsContact C-N 3.27Å; K48-H50 PolarHBondContact O-N 3.33Å; K48-S51 VanDerWaalsContact O-CB 3.31Å; K48-S51 WeakPolarHBondContact O-CB 3.49Å; K48-S51 PolarHBondContact O-N 2.99Å; K48-S51 VanDerWaalsContact O-N 3.16Å; K48-S51 PolarHBondContact O-OG 2.99Å
49	L	46	Very low	56.6	Low	43 Å²	43	97.5 Å²	97.5	23%	0.225	51%	0.511	C	S	.	.	H	α-helix	trans	-65.2	-32.1	180	-145.7	80.4	0	0	0	112	V45 N46 L120 S123	V45-L49 PolarHBondContact O-N 3.37Å; N46-L49 PolarHBondContact O-N 3.16Å; L49-L120 HydrophobicContact CD1-CD1 4.21Å; L49-L120 HydrophobicContact CD2-CD1 3.54Å; L49-L120 HydrophobicContact CG-CD1 3.73Å; L49-S123 WeakPolarHBondContact CD1-OG 3.29Å
50	H	51.9	Low	59.2	Low	142 Å²	142	96 Å²	96	66%	0.657	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	10.3	175.3	-74.1	-66.1	0	0	0	114.8	N46 K48 L52	N46-H50 PolarHBondContact O-CD2 3.49Å; N46-H50 PolarHBondContact O-N 2.9Å; N46-H50 VanDerWaalsContact O-N 3.13Å; K48-H50 VanDerWaalsContact C-N 3.27Å; K48-H50 PolarHBondContact O-N 3.33Å; H50-L52 PolarHBondContact O-N 3.34Å; H50-L52 VanDerWaalsContact O-N 3.11Å
51	S	62.2	Low	61.7	Low	76 Å²	76	90 Å²	90	53%	0.531	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-50.8	123.3	178.3	54.8	0	0	0	0	111.4	D47 K48 K116	D47-S51 PolarHBondContact O-N 3.32Å; K48-S51 VanDerWaalsContact O-CB 3.31Å; K48-S51 WeakPolarHBondContact O-CB 3.49Å; K48-S51 PolarHBondContact O-N 2.99Å; K48-S51 VanDerWaalsContact O-N 3.16Å; K48-S51 PolarHBondContact O-OG 2.99Å; S51-K116 PolarHBondContact O-NZ 2.86Å
52	L	68.6	Low	64.5	Low	125 Å²	125	83.9 Å²	83.9	65%	0.654	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-62.7	137.8	179.8	-70.8	158.1	0	0	0	108.8	H50 T54 E83	H50-L52 PolarHBondContact O-N 3.34Å; H50-L52 VanDerWaalsContact O-N 3.11Å; L52-T54 PolarHBondContact O-N 3.49Å; L52-E83 WeakPolarHBondContact CA-OE1 3.27Å; L52-E83 HydrophobicContact CB-CG 4.26Å; L52-E83 HydrophobicContact CD2-CG 3.6Å
53	I	79.8	Confident	67.1	Low	32 Å²	32	80.4 Å²	80.4	16%	0.164	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-64.5	121.7	176	-51	172.1	0	0	0	108.5	T55 Y79 E83 D112 K116	I53-T55 PolarHBondContact O-N 3.38Å; I53-Y79 HydrophobicContact CB-CE1 4.45Å; I53-Y79 HydrophobicContact CG2-CE1 4.37Å; I53-Y79 WeakPolarHBondContact CG2-OH 3.37Å; I53-E83 PolarHBondContact N-OE1 3.45Å; I53-D112 HydrophobicContact CD1-CB 4.29Å; I53-D112 HydrophobicContact CG2-CB 4.22Å; I53-K116 HydrophobicContact CD1-CB 4.39Å; I53-K116 HydrophobicContact CD1-CD 3.93Å; I53-K116 HydrophobicContact CG1-CD 3.74Å
54	T	83.3	Confident	69.6	Low	124 Å²	124	81.3 Å²	81.3	76%	0.761	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-59.7	128.8	178.4	-51.9	0	0	0	0	109.9	L52 P56	L52-T54 PolarHBondContact O-N 3.49Å; T54-P56 WeakPolarHBondContact O-CD 3.27Å
55	T	84.8	Confident	71.9	Confident	32 Å²	32	85.6 Å²	85.6	20%	0.196	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-64.8	128.6	177.5	-50	0	0	0	0	109.9	I53 D57 Q76 Y79 K80	I53-T55 PolarHBondContact O-N 3.38Å; T55-D57 PolarHBondContact O-N 2.84Å; T55-Q76 HydrophobicContact CG2-CB 4.07Å; T55-Q76 HydrophobicContact CG2-CG 4.07Å; T55-Y79 HydrophobicContact CG2-CD1 3.91Å; T55-Y79 HydrophobicContact CG2-CG 4.17Å; T55-K80 HydrophobicContact CG2-CG 4.2Å; T55-K80 WeakPolarHBondContact OG1-CE 3.4Å; T55-K80 VanDerWaalsContact OG1-CG 3.22Å; T55-K80 WeakPolarHBondContact OG1-CG 3.4Å
56	P	85	Confident	74.2	Confident	27 Å²	27	90.9 Å²	90.9	18%	0.175	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-62.9	134.6	177.6	-22.7	32.6	0	0	0	112.5	T54 Q58 F59 Q76 Y79	T54-P56 WeakPolarHBondContact O-CD 3.27Å; P56-Q58 VanDerWaalsContact C-N 3.28Å; P56-F59 HydrophobicContact CB-CZ 4.41Å; P56-F59 HydrophobicContact CG-CE1 4.31Å; P56-F59 HydrophobicContact CG-CZ 4.41Å; P56-Q76 PolarHBondContact O-NE2 2.8Å; P56-Y79 HydrophobicContact CG-CE2 4.08Å
57	D	83.8	Confident	76.6	Confident	133 Å²	133	88.6 Å²	88.6	71%	0.711	46%	0.461	S	S	*	.	S	Bend	trans	-69.9	-30.5	170.7	-70.6	-32.2	0	0	0	111.7	T55	T55-D57 PolarHBondContact O-N 2.84Å
58	Q	84.5	Confident	78.8	Confident	158 Å²	158	87.6 Å²	87.6	74%	0.738	45%	0.449	S	S	*	.	S	Bend	trans	-136	138.7	177.7	-64.1	-174.2	-0.5	0	0	110.6	P56	P56-Q58 VanDerWaalsContact C-N 3.28Å
59	F	90	Very high	80.9	Confident	11 Å²	11	84 Å²	84	5%	0.048	44%	0.444	C	S	.	.			trans	-100	92.3	176.7	-69.6	-96.4	0	0	0	109.3	P56 D61 F62 L72 M75 Q76 Y79 T104 A105 R108	P56-F59 HydrophobicContact CB-CZ 4.41Å; P56-F59 HydrophobicContact CG-CE1 4.31Å; P56-F59 HydrophobicContact CG-CZ 4.41Å; F59-D61 PolarHBondContact O-N 3.31Å; F59-D61 VanDerWaalsContact O-N 3.13Å; F59-F62 VanDerWaalsContact O-CB 3.25Å; F59-F62 WeakPolarHBondContact O-CB 3.45Å; F59-F62 PolarHBondContact O-N 3.3Å; F59-L72 HydrophobicContact CD2-CD1 4Å; F59-L72 HydrophobicContact CE2-CD1 4.36Å; F59-M75 HydrophobicContact CB-CE 4.22Å; F59-M75 HydrophobicContact CB-SD 4.1Å; F59-M75 HydrophobicContact CD1-SD 4.43Å; F59-M75 HydrophobicContact CD2-CB 3.89Å; F59-M75 HydrophobicContact CD2-CE 3.92Å; F59-M75 HydrophobicContact CD2-SD 4.09Å; F59-M75 HydrophobicContact CE1-CB 4.28Å; F59-M75 HydrophobicContact CE2-CB 3.56Å; F59-M75 HydrophobicContact CG-CB 4.39Å; F59-M75 HydrophobicContact CG-CE 4.22Å; F59-M75 HydrophobicContact CG-SD 3.94Å; F59-M75 HydrophobicContact CZ-CB 3.77Å; F59-Q76 HydrophobicContact CE2-CG 3.95Å; F59-Y79 HydrophobicContact CE1-CD2 4.03Å; F59-Y79 HydrophobicContact CZ-CD2 4.27Å; F59-T104 HydrophobicContact CB-CG2 3.79Å; F59-T104 HydrophobicContact CD1-CG2 4.08Å; F59-T104 HydrophobicContact CG-CG2 4.25Å; F59-A105 HydrophobicContact CE1-CB 4.45Å; F59-R108 HydrophobicContact CD1-CB 4.32Å; F59-R108 HydrophobicContact CD1-CG 4.29Å; F59-R108 HydrophobicContact CE1-CB 4.5Å; F59-R108 HydrophobicContact CE1-CG 4.48Å
60	I	85.8	Confident	83	Confident	133 Å²	133	83.5 Å²	83.5	68%	0.682	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.3	-178.8	-56.5	167.6	0	0	0	111.7	F62	I60-F62 PolarHBondContact O-N 3.18Å
61	D	88.6	Confident	84.9	Confident	10 Å²	10	77.2 Å²	77.2	5%	0.053	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.8	179.5	-61	-72.2	0	0	0	114.8	F59 T104 R108 T297 L298	F59-D61 PolarHBondContact O-N 3.31Å; F59-D61 VanDerWaalsContact O-N 3.13Å; D61-T104 HydrophobicContact CB-CG2 4.11Å; D61-R108 WeakPolarHBondContact OD2-CD 3.33Å; D61-R108 IonicContact OD2-CZ 3.99Å; D61-R108 IonicContact OD2-NE 2.88Å; D61-R108 PolarHBondContact OD2-NE 2.88Å; D61-R108 IonicContact OD2-NH2 3.73Å; D61-T297 WeakPolarHBondContact CA-OG1 3.3Å; D61-T297 WeakPolarHBondContact CB-OG1 3.28Å; D61-T297 WeakPolarHBondContact OD1-CB 3.35Å; D61-T297 PolarHBondContact OD1-OG1 3.13Å; D61-L298 HydrophobicContact CB-CD1 3.7Å; D61-L298 HydrophobicContact CB-CD2 4.03Å; D61-L298 HydrophobicContact CB-CG 3.69Å
62	F	91.5	Very high	86.3	Confident	12 Å²	12	75.9 Å²	75.9	5%	0.053	40%	0.398	C	S	.	.	S	Bend	trans	-69	128.8	174.9	-162.2	-104.6	0	0	0	109.2	F59 I60 Y64 P67 Q71 M75 L100 T104	F59-F62 VanDerWaalsContact O-CB 3.25Å; F59-F62 WeakPolarHBondContact O-CB 3.45Å; F59-F62 PolarHBondContact O-N 3.3Å; I60-F62 PolarHBondContact O-N 3.18Å; F62-Y64 HydrophobicContact CD1-CD2 4.35Å; F62-Y64 WeakPolarHBondContact CD1-O 3.43Å; F62-Y64 AromaticContact CE1-CD2 3.7Å; F62-Y64 HydrophobicContact CE1-CD2 3.7Å; F62-Y64 HydrophobicContact CE1-CG 4.31Å; F62-Y64 HydrophobicContact CZ-CD2 4.16Å; F62-Y64 PolarHBondContact O-N 2.94Å; F62-Y64 VanDerWaalsContact O-N 3.11Å; F62-P67 HydrophobicContact CD1-CB 3.88Å; F62-P67 HydrophobicContact CE1-CB 3.79Å; F62-P67 HydrophobicContact CG-CB 4.37Å; F62-P67 HydrophobicContact CZ-CB 4.23Å; F62-Q71 VanDerWaalsContact CZ-OE1 3.3Å; F62-M75 HydrophobicContact CD2-CE 4.13Å; F62-M75 HydrophobicContact CD2-SD 3.89Å; F62-M75 HydrophobicContact CE2-CE 4.46Å; F62-M75 HydrophobicContact CE2-SD 4.34Å; F62-L100 HydrophobicContact CD2-CD2 4.24Å; F62-L100 HydrophobicContact CD2-CG 4.2Å; F62-L100 HydrophobicContact CE1-CD2 4.27Å; F62-L100 HydrophobicContact CE2-CB 4.39Å; F62-L100 HydrophobicContact CE2-CD2 3.5Å; F62-L100 HydrophobicContact CE2-CG 3.65Å; F62-L100 HydrophobicContact CZ-CD2 3.52Å; F62-L100 HydrophobicContact CZ-CG 4.2Å; F62-T104 HydrophobicContact CB-CG2 4.26Å; F62-T104 HydrophobicContact CD2-CG2 4.3Å
63	P	88.5	Confident	87.5	Confident	44 Å²	44	74.5 Å²	74.5	29%	0.286	39%	0.388	S	S	.	.	S	Bend	trans	-73.1	-8.6	-168.9	31.6	-40	0	0	0	114.3	L100 K294	P63-L100 HydrophobicContact CG-CD1 3.62Å; P63-L100 HydrophobicContact CG-CD2 3.55Å; P63-L100 HydrophobicContact CG-CG 4.06Å; P63-K294 HydrophobicContact CB-CB 4.21Å; P63-K294 WeakPolarHBondContact CB-O 3.4Å; P63-K294 HydrophobicContact CG-CB 4.34Å
64	Y	88.4	Confident	88.2	Confident	120 Å²	120	73 Å²	73	47%	0.471	38%	0.38	S	S	.	.	S	Bend	trans	-110	146.7	177.8	-56	-72.2	0	0	0	110.6	F62 K66 L100	F62-Y64 HydrophobicContact CD1-CD2 4.35Å; F62-Y64 WeakPolarHBondContact CD1-O 3.43Å; F62-Y64 AromaticContact CE1-CD2 3.7Å; F62-Y64 HydrophobicContact CE1-CD2 3.7Å; F62-Y64 HydrophobicContact CE1-CG 4.31Å; F62-Y64 HydrophobicContact CZ-CD2 4.16Å; F62-Y64 PolarHBondContact O-N 2.94Å; F62-Y64 VanDerWaalsContact O-N 3.11Å; Y64-K66 VanDerWaalsContact C-N 3.25Å; Y64-K66 PolarHBondContact O-N 3.42Å; Y64-K66 VanDerWaalsContact O-N 3.14Å; Y64-L100 HydrophobicContact CD2-CD2 3.84Å; Y64-L100 HydrophobicContact CE2-CD2 3.55Å
65	P	83.2	Confident	88.8	Confident	142 Å²	142	67.1 Å²	67.1	92%	0.922	34%	0.344	S	S	*	.	S	Bend	trans	-59.6	-32.3	-173.1	-24.2	32.5	0	0	0	114.7
66	K	85.9	Confident	89.3	Confident	180 Å²	180	67.8 Å²	67.8	78%	0.783	35%	0.345	S	S	*	.	S	Bend	trans	-136.8	109.9	-178.8	-169.9	173.3	-177.4	176.5	0	110.2	Y64	Y64-K66 VanDerWaalsContact C-N 3.25Å; Y64-K66 PolarHBondContact O-N 3.42Å; Y64-K66 VanDerWaalsContact O-N 3.14Å
67	P	89.7	Confident	89.8	Confident	33 Å²	33	68 Å²	68	21%	0.214	35%	0.346	C	S	.	.			trans	-66.7	152.2	171	28.3	-32.9	0	0	0	110.2	F62 Q71 L72 M75	F62-P67 HydrophobicContact CD1-CB 3.88Å; F62-P67 HydrophobicContact CE1-CB 3.79Å; F62-P67 HydrophobicContact CG-CB 4.37Å; F62-P67 HydrophobicContact CZ-CB 4.23Å; P67-Q71 HydrophobicContact CB-CB 4.17Å; P67-L72 HydrophobicContact CG-CD1 4.47Å; P67-M75 HydrophobicContact CB-CE 3.99Å; P67-M75 HydrophobicContact CG-CE 4.3Å
68	Y	89.3	Confident	90.4	Very high	101 Å²	101	61.6 Å²	61.6	40%	0.396	31%	0.312	S	S	.	.			trans	-64.7	153.6	168.2	-57.4	-56.6	0	0	0	110.2	Q70 Q71 L72 V768 A972	Y68-Q70 PolarHBondContact O-N 3.45Å; Y68-Q71 VanDerWaalsContact CD2-CD 3.5Å; Y68-Q71 HydrophobicContact CD2-CG 4.22Å; Y68-Q71 WeakPolarHBondContact O-CB 3.37Å; Y68-Q71 PolarHBondContact O-N 3.13Å; Y68-L72 PolarHBondContact O-N 3.29Å; Y68-V768 HydrophobicContact CD1-CG1 3.7Å; Y68-V768 HydrophobicContact CD2-CB 4.34Å; Y68-V768 HydrophobicContact CD2-CG1 3.57Å; Y68-V768 HydrophobicContact CD2-CG2 3.73Å; Y68-V768 HydrophobicContact CE1-CG1 3.77Å; Y68-V768 HydrophobicContact CE2-CG1 3.64Å; Y68-V768 HydrophobicContact CE2-CG2 4.33Å; Y68-V768 HydrophobicContact CG-CG1 3.61Å; Y68-V768 HydrophobicContact CG-CG2 4.09Å; Y68-A972 HydrophobicContact CE1-CB 4.16Å; Y68-A972 WeakPolarHBondContact OH-CB 3.46Å
69	S	89	Confident	90.9	Very high	85 Å²	85	54.1 Å²	54.1	59%	0.594	28%	0.277	S	S	*	.	H	α-helix	trans	-57.5	-38.5	179.8	50.5	0	0	0	0	111.9	Q71 L72 E73	S69-Q71 VanDerWaalsContact C-N 3.33Å; S69-Q71 PolarHBondContact O-N 2.83Å; S69-L72 PolarHBondContact O-N 3.39Å; S69-E73 WeakPolarHBondContact O-CB 3.18Å; S69-E73 PolarHBondContact O-N 2.98Å
70	Q	89	Confident	91.2	Very high	33 Å²	33	59.2 Å²	59.2	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-67	-33.3	177.5	-55.7	89.2	-12.9	0	0	112.6	Y68 L74 C765 D766 H767	Y68-Q70 PolarHBondContact O-N 3.45Å; Q70-L74 VanDerWaalsContact O-CB 3.3Å; Q70-L74 WeakPolarHBondContact O-CB 3.48Å; Q70-L74 PolarHBondContact O-N 2.82Å; Q70-C765 HydrophobicContact CB-CB 4.01Å; Q70-C765 HydrophobicContact CG-CB 4.34Å; Q70-D766 WeakPolarHBondContact CG-O 3.5Å; Q70-H767 PolarHBondContact NE2-O 3.47Å
71	Q	91.9	Very high	91.6	Very high	11 Å²	11	53 Å²	53	5%	0.051	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-43.6	174.2	-69.6	175.1	-33.5	0	0	110.3	F62 P67 Y68 S69 L74 M75 T96 S101	F62-Q71 VanDerWaalsContact CZ-OE1 3.3Å; P67-Q71 HydrophobicContact CB-CB 4.17Å; Y68-Q71 VanDerWaalsContact CD2-CD 3.5Å; Y68-Q71 HydrophobicContact CD2-CG 4.22Å; Y68-Q71 WeakPolarHBondContact O-CB 3.37Å; Y68-Q71 PolarHBondContact O-N 3.13Å; S69-Q71 VanDerWaalsContact C-N 3.33Å; S69-Q71 PolarHBondContact O-N 2.83Å; Q71-L74 PolarHBondContact O-N 3.29Å; Q71-M75 HydrophobicContact CB-CE 4.45Å; Q71-M75 WeakPolarHBondContact O-CB 3.39Å; Q71-M75 WeakPolarHBondContact O-CG 3.18Å; Q71-M75 PolarHBondContact O-N 3Å; Q71-T96 WeakPolarHBondContact CG-O 3.42Å; Q71-T96 PolarHBondContact NE2-O 2.94Å; Q71-S101 WeakPolarHBondContact CB-OG 3.36Å; Q71-S101 WeakPolarHBondContact CG-OG 3.32Å
72	L	92.6	Very high	91.9	Very high	47 Å²	47	52.5 Å²	52.5	25%	0.246	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-46.8	177.9	-172.5	67.3	0	0	0	111.3	F59 P67 Y68 S69 L74 M75 Q76	F59-L72 HydrophobicContact CD2-CD1 4Å; F59-L72 HydrophobicContact CE2-CD1 4.36Å; P67-L72 HydrophobicContact CG-CD1 4.47Å; Y68-L72 PolarHBondContact O-N 3.29Å; S69-L72 PolarHBondContact O-N 3.39Å; L72-L74 PolarHBondContact O-N 2.81Å; L72-M75 HydrophobicContact CD1-CE 4.29Å; L72-M75 PolarHBondContact O-N 3.36Å; L72-Q76 WeakPolarHBondContact O-CB 3.39Å; L72-Q76 WeakPolarHBondContact O-CG 3.02Å; L72-Q76 PolarHBondContact O-N 2.86Å
73	E	92.8	Very high	92.1	Very high	96 Å²	96	53 Å²	53	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-41.6	178.3	-162.3	-169	169.8	0	0	112.2	S69 T77 F763	S69-E73 WeakPolarHBondContact O-CB 3.18Å; S69-E73 PolarHBondContact O-N 2.98Å; E73-T77 WeakPolarHBondContact O-CB 3.43Å; E73-T77 PolarHBondContact O-N 3.44Å; E73-T77 PolarHBondContact O-OG1 2.81Å; E73-F763 HydrophobicContact CB-CE2 4.34Å; E73-F763 HydrophobicContact CB-CZ 4.12Å; E73-F763 HydrophobicContact CG-CE2 3.68Å; E73-F763 HydrophobicContact CG-CZ 3.96Å
74	L	94.4	Very high	92.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-48.4	173.4	176.1	61.8	0	0	0	110.6	Q70 Q71 L72 Q76 T77 V78 F90 F763	Q70-L74 VanDerWaalsContact O-CB 3.3Å; Q70-L74 WeakPolarHBondContact O-CB 3.48Å; Q70-L74 PolarHBondContact O-N 2.82Å; Q71-L74 PolarHBondContact O-N 3.29Å; L72-L74 PolarHBondContact O-N 2.81Å; L74-Q76 PolarHBondContact O-N 2.95Å; L74-T77 PolarHBondContact O-N 3.44Å; L74-V78 HydrophobicContact CD1-CG2 3.95Å; L74-V78 HydrophobicContact CG-CG2 4.44Å; L74-V78 WeakPolarHBondContact O-CB 3.46Å; L74-V78 VanDerWaalsContact O-CG2 3.22Å; L74-V78 WeakPolarHBondContact O-CG2 3.45Å; L74-V78 PolarHBondContact O-N 3.42Å; L74-F90 HydrophobicContact CD1-CB 4.17Å; L74-F90 HydrophobicContact CD1-CD1 3.69Å; L74-F90 HydrophobicContact CD1-CG 4.26Å; L74-F763 HydrophobicContact CB-CE1 3.8Å; L74-F763 HydrophobicContact CB-CZ 4.13Å; L74-F763 HydrophobicContact CD1-CD1 3.69Å; L74-F763 HydrophobicContact CD1-CE1 3.65Å; L74-F763 HydrophobicContact CG-CE1 4.31Å
75	M	95.6	Very high	92.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-44.7	-179.3	-71.9	-174.4	-66.3	0	0	112	F59 F62 P67 Q71 L72 V78 Y79 S101 T104 A105	F59-M75 HydrophobicContact CB-CE 4.22Å; F59-M75 HydrophobicContact CB-SD 4.1Å; F59-M75 HydrophobicContact CD1-SD 4.43Å; F59-M75 HydrophobicContact CD2-CB 3.89Å; F59-M75 HydrophobicContact CD2-CE 3.92Å; F59-M75 HydrophobicContact CD2-SD 4.09Å; F59-M75 HydrophobicContact CE1-CB 4.28Å; F59-M75 HydrophobicContact CE2-CB 3.56Å; F59-M75 HydrophobicContact CG-CB 4.39Å; F59-M75 HydrophobicContact CG-CE 4.22Å; F59-M75 HydrophobicContact CG-SD 3.94Å; F59-M75 HydrophobicContact CZ-CB 3.77Å; F62-M75 HydrophobicContact CD2-CE 4.13Å; F62-M75 HydrophobicContact CD2-SD 3.89Å; F62-M75 HydrophobicContact CE2-CE 4.46Å; F62-M75 HydrophobicContact CE2-SD 4.34Å; P67-M75 HydrophobicContact CB-CE 3.99Å; P67-M75 HydrophobicContact CG-CE 4.3Å; Q71-M75 HydrophobicContact CB-CE 4.45Å; Q71-M75 WeakPolarHBondContact O-CB 3.39Å; Q71-M75 WeakPolarHBondContact O-CG 3.18Å; Q71-M75 PolarHBondContact O-N 3Å; L72-M75 HydrophobicContact CD1-CE 4.29Å; L72-M75 PolarHBondContact O-N 3.36Å; M75-V78 PolarHBondContact O-N 3.3Å; M75-Y79 VanDerWaalsContact O-CB 3.29Å; M75-Y79 WeakPolarHBondContact O-CB 3.34Å; M75-Y79 PolarHBondContact O-N 2.91Å; M75-S101 WeakPolarHBondContact CG-O 3.12Å; M75-T104 HydrophobicContact SD-CG2 3.79Å; M75-A105 HydrophobicContact CB-CB 3.9Å; M75-A105 HydrophobicContact CG-CB 4.01Å; M75-A105 WeakPolarHBondContact O-CB 3.4Å
76	Q	95.6	Very high	92.9	Very high	46 Å²	46	46.2 Å²	46.2	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-42.4	178.6	-71.5	177.9	-18.3	0	0	112.1	T55 P56 F59 L72 L74 Y79 K80	T55-Q76 HydrophobicContact CG2-CB 4.07Å; T55-Q76 HydrophobicContact CG2-CG 4.07Å; P56-Q76 PolarHBondContact O-NE2 2.8Å; F59-Q76 HydrophobicContact CE2-CG 3.95Å; L72-Q76 WeakPolarHBondContact O-CB 3.39Å; L72-Q76 WeakPolarHBondContact O-CG 3.02Å; L72-Q76 PolarHBondContact O-N 2.86Å; L74-Q76 PolarHBondContact O-N 2.95Å; Q76-Y79 PolarHBondContact O-N 3.15Å; Q76-K80 WeakPolarHBondContact O-CG 3.38Å; Q76-K80 PolarHBondContact O-N 3.27Å
77	T	95.3	Very high	93.4	Very high	31 Å²	31	37.6 Å²	37.6	19%	0.19	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-42.9	178.5	-52.2	0	0	0	0	111.4	E73 L74 K80 T81 F90 V761 F763	E73-T77 WeakPolarHBondContact O-CB 3.43Å; E73-T77 PolarHBondContact O-N 3.44Å; E73-T77 PolarHBondContact O-OG1 2.81Å; L74-T77 PolarHBondContact O-N 3.44Å; T77-K80 PolarHBondContact O-N 3.44Å; T77-T81 WeakPolarHBondContact O-CB 3.46Å; T77-T81 PolarHBondContact O-N 3.38Å; T77-T81 PolarHBondContact O-OG1 3.3Å; T77-F90 HydrophobicContact CG2-CE1 3.92Å; T77-V761 HydrophobicContact CG2-CG1 3.95Å; T77-F763 HydrophobicContact CG2-CB 4.16Å; T77-F763 HydrophobicContact CG2-CD2 3.89Å; T77-F763 HydrophobicContact CG2-CG 4.24Å
78	V	96.4	Very high	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-48.8	174.9	168.3	0	0	0	0	110.3	L74 M75 K80 T81 L82 F90 L102 A105 T106 L733	L74-V78 HydrophobicContact CD1-CG2 3.95Å; L74-V78 HydrophobicContact CG-CG2 4.44Å; L74-V78 WeakPolarHBondContact O-CB 3.46Å; L74-V78 VanDerWaalsContact O-CG2 3.22Å; L74-V78 WeakPolarHBondContact O-CG2 3.45Å; L74-V78 PolarHBondContact O-N 3.42Å; M75-V78 PolarHBondContact O-N 3.3Å; V78-K80 PolarHBondContact O-N 2.94Å; V78-T81 WeakPolarHBondContact O-CB 3.38Å; V78-T81 PolarHBondContact O-N 3.48Å; V78-L82 HydrophobicContact CG1-CD1 4.23Å; V78-L82 HydrophobicContact CG1-CG 4.49Å; V78-L82 WeakPolarHBondContact O-CG 3.32Å; V78-L82 PolarHBondContact O-N 3.06Å; V78-F90 HydrophobicContact CB-CE1 4.4Å; V78-F90 HydrophobicContact CG2-CD1 3.8Å; V78-F90 HydrophobicContact CG2-CE1 3.48Å; V78-F90 VanDerWaalsContact CG2-CE1 3.48Å; V78-F90 HydrophobicContact CG2-CE2 4.45Å; V78-F90 HydrophobicContact CG2-CG 4.41Å; V78-F90 HydrophobicContact CG2-CZ 3.85Å; V78-L102 HydrophobicContact CG2-CD2 4.07Å; V78-A105 HydrophobicContact CB-CB 4.08Å; V78-A105 HydrophobicContact CG1-CB 3.89Å; V78-T106 HydrophobicContact CG1-CG2 3.72Å; V78-L733 HydrophobicContact CG1-CD1 3.88Å
79	Y	96.3	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.1	-49.2	178.6	-167.8	-75.8	0	0	0	112	I53 T55 P56 F59 M75 Q76 T81 L82 E83 W109 D112	I53-Y79 HydrophobicContact CB-CE1 4.45Å; I53-Y79 HydrophobicContact CG2-CE1 4.37Å; I53-Y79 WeakPolarHBondContact CG2-OH 3.37Å; T55-Y79 HydrophobicContact CG2-CD1 3.91Å; T55-Y79 HydrophobicContact CG2-CG 4.17Å; P56-Y79 HydrophobicContact CG-CE2 4.08Å; F59-Y79 HydrophobicContact CE1-CD2 4.03Å; F59-Y79 HydrophobicContact CZ-CD2 4.27Å; M75-Y79 VanDerWaalsContact O-CB 3.29Å; M75-Y79 WeakPolarHBondContact O-CB 3.34Å; M75-Y79 PolarHBondContact O-N 2.91Å; Q76-Y79 PolarHBondContact O-N 3.15Å; Y79-T81 VanDerWaalsContact C-N 3.34Å; Y79-T81 PolarHBondContact O-N 2.99Å; Y79-L82 PolarHBondContact O-N 3.02Å; Y79-E83 PolarHBondContact O-N 3.48Å; Y79-W109 AromaticContact CD1-CD1 3.96Å; Y79-W109 HydrophobicContact CD2-CB 3.62Å; Y79-W109 HydrophobicContact CD2-CG 4.24Å; Y79-W109 AromaticContact CE1-CD1 3.69Å; Y79-W109 HydrophobicContact CE2-CB 3.54Å; Y79-W109 AromaticContact CE2-CD1 3.82Å; Y79-W109 HydrophobicContact CE2-CG 4.08Å; Y79-W109 HydrophobicContact CG-CB 4.35Å; Y79-W109 AromaticContact CZ-CD1 3.59Å; Y79-D112 PolarHBondContact OH-OD2 3.47Å; Y79-D112 VanDerWaalsContact OH-OD2 3.05Å
80	K	94.9	Very high	94.5	Very high	119 Å²	119	27.2 Å²	27.2	52%	0.517	14%	0.14	S	C	.	.	H	α-helix	trans	-61.2	-41.5	177.3	-73.2	174.8	-178.3	177.7	0	112.6	T55 Q76 T77 V78 L82 E83 S84	T55-K80 HydrophobicContact CG2-CG 4.2Å; T55-K80 WeakPolarHBondContact OG1-CE 3.4Å; T55-K80 VanDerWaalsContact OG1-CG 3.22Å; T55-K80 WeakPolarHBondContact OG1-CG 3.4Å; Q76-K80 WeakPolarHBondContact O-CG 3.38Å; Q76-K80 PolarHBondContact O-N 3.27Å; T77-K80 PolarHBondContact O-N 3.44Å; V78-K80 PolarHBondContact O-N 2.94Å; K80-L82 VanDerWaalsContact C-N 3.31Å; K80-L82 PolarHBondContact O-N 3.43Å; K80-E83 PolarHBondContact O-N 3.22Å; K80-S84 WeakPolarHBondContact O-CB 3.47Å; K80-S84 PolarHBondContact O-N 2.8Å; K80-S84 PolarHBondContact O-OG 3.29Å
81	T	95.6	Very high	94.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-40.7	178.8	-56.6	0	0	0	0	111.3	T77 V78 Y79 S84 C86 F90 L733 V761	T77-T81 WeakPolarHBondContact O-CB 3.46Å; T77-T81 PolarHBondContact O-N 3.38Å; T77-T81 PolarHBondContact O-OG1 3.3Å; V78-T81 WeakPolarHBondContact O-CB 3.38Å; V78-T81 PolarHBondContact O-N 3.48Å; Y79-T81 VanDerWaalsContact C-N 3.34Å; Y79-T81 PolarHBondContact O-N 2.99Å; T81-S84 PolarHBondContact O-OG 2.96Å; T81-C86 HydrophobicContact CG2-CB 3.96Å; T81-C86 PolarHBondContact O-N 3.4Å; T81-F90 HydrophobicContact CG2-CZ 4.23Å; T81-L733 HydrophobicContact CG2-CD2 4.01Å; T81-V761 HydrophobicContact CG2-CB 4.04Å; T81-V761 HydrophobicContact CG2-CG2 3.98Å
82	L	95.1	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-45.9	176.7	-66.5	-178.8	0	0	0	111.3	V78 Y79 K80 S84 N85 T106 W109 I458 R730 L733	V78-L82 HydrophobicContact CG1-CD1 4.23Å; V78-L82 HydrophobicContact CG1-CG 4.49Å; V78-L82 WeakPolarHBondContact O-CG 3.32Å; V78-L82 PolarHBondContact O-N 3.06Å; Y79-L82 PolarHBondContact O-N 3.02Å; K80-L82 VanDerWaalsContact C-N 3.31Å; K80-L82 PolarHBondContact O-N 3.43Å; L82-S84 VanDerWaalsContact C-N 3.29Å; L82-S84 PolarHBondContact O-N 2.78Å; L82-N85 PolarHBondContact O-N 3.18Å; L82-N85 VanDerWaalsContact O-N 3.17Å; L82-T106 HydrophobicContact CD1-CG2 3.79Å; L82-W109 HydrophobicContact CB-CD2 3.73Å; L82-W109 HydrophobicContact CB-CE3 4.15Å; L82-W109 HydrophobicContact CB-CG 4.05Å; L82-W109 HydrophobicContact CB-CZ2 4.25Å; L82-W109 HydrophobicContact CD1-CB 4.29Å; L82-W109 HydrophobicContact CD1-CD2 4.04Å; L82-W109 HydrophobicContact CD1-CE3 3.95Å; L82-W109 HydrophobicContact CD1-CG 4.19Å; L82-I458 HydrophobicContact CD1-CD1 4.03Å; L82-I458 HydrophobicContact CD2-CB 4.46Å; L82-I458 HydrophobicContact CD2-CD1 3.71Å; L82-I458 HydrophobicContact CD2-CG1 3.98Å; L82-I458 HydrophobicContact CD2-CG2 3.62Å; L82-I458 HydrophobicContact CG-CD1 4.34Å; L82-R730 VanDerWaalsContact O-CZ 3.23Å; L82-R730 PolarHBondContact O-NH1 2.96Å; L82-R730 PolarHBondContact O-NH2 2.99Å; L82-L733 HydrophobicContact CD2-CD1 4.06Å; L82-L733 HydrophobicContact CD2-CD2 4.16Å; L82-L733 HydrophobicContact CD2-CG 4.38Å
83	E	93.9	Very high	94.4	Very high	21 Å²	21	23.8 Å²	23.8	10%	0.098	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-40.5	178.3	-173.1	62.5	-170	0	0	112	L52 I53 Y79 K80 N85 W109 K116	L52-E83 WeakPolarHBondContact CA-OE1 3.27Å; L52-E83 HydrophobicContact CB-CG 4.26Å; L52-E83 HydrophobicContact CD2-CG 3.6Å; I53-E83 PolarHBondContact N-OE1 3.45Å; Y79-E83 PolarHBondContact O-N 3.48Å; K80-E83 PolarHBondContact O-N 3.22Å; E83-N85 PolarHBondContact O-N 2.9Å; E83-N85 VanDerWaalsContact O-N 3.16Å; E83-W109 PolarHBondContact OE2-NE1 2.87Å; E83-K116 IonicContact OE1-NZ 3.5Å; E83-K116 PolarHBondContact OE1-NZ 3.41Å
84	S	91.4	Very high	93.7	Very high	60 Å²	60	20.3 Å²	20.3	42%	0.42	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	8	-179.9	71	0	0	0	0	115	K80 T81 L82 C86	K80-S84 WeakPolarHBondContact O-CB 3.47Å; K80-S84 PolarHBondContact O-N 2.8Å; K80-S84 PolarHBondContact O-OG 3.29Å; T81-S84 PolarHBondContact O-OG 2.96Å; L82-S84 VanDerWaalsContact C-N 3.29Å; L82-S84 PolarHBondContact O-N 2.78Å; S84-C86 PolarHBondContact O-N 2.98Å; S84-C86 VanDerWaalsContact O-N 3.08Å; S84-C86 PolarHBondContact O-SG 2.95Å; S84-C86 WeakPolarHBondContact OG-CB 3.44Å; S84-C86 PolarHBondContact OG-SG 3.3Å
85	N	91.5	Very high	92.9	Very high	91 Å²	91	21.6 Å²	21.6	49%	0.487	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	22.8	-173.8	-70.6	-46.7	0	0	0	113.7	L82 E83 R730	L82-N85 PolarHBondContact O-N 3.18Å; L82-N85 VanDerWaalsContact O-N 3.17Å; E83-N85 PolarHBondContact O-N 2.9Å; E83-N85 VanDerWaalsContact O-N 3.16Å; N85-R730 PolarHBondContact OD1-NE 2.7Å; N85-R730 VanDerWaalsContact OD1-NE 3.08Å; N85-R730 PolarHBondContact OD1-NH1 3.02Å; N85-R730 PolarHBondContact OD1-NH2 2.78Å
86	C	95.2	Very high	92.2	Very high	13 Å²	13	21.7 Å²	21.7	9%	0.088	12%	0.122	C	C	.	.			trans	-87.5	158.4	-178	-70.4	0	0	0	0	110.9	T81 S84 S731 Q759 V761	T81-C86 HydrophobicContact CG2-CB 3.96Å; T81-C86 PolarHBondContact O-N 3.4Å; S84-C86 PolarHBondContact O-N 2.98Å; S84-C86 VanDerWaalsContact O-N 3.08Å; S84-C86 PolarHBondContact O-SG 2.95Å; S84-C86 WeakPolarHBondContact OG-CB 3.44Å; S84-C86 PolarHBondContact OG-SG 3.3Å; C86-S731 WeakPolarHBondContact O-CB 3.27Å; C86-S731 PolarHBondContact O-OG 2.82Å; C86-Q759 WeakPolarHBondContact CA-O 3.22Å; C86-Q759 WeakPolarHBondContact CB-O 3.45Å; C86-V761 HydrophobicContact CB-CG2 3.97Å
87	C	96.7	Very high	91.8	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	163.2	162.9	-64	0	0	0	0	109.2	V732 F750 Q759 I760 V761	C87-V732 WeakPolarHBondContact CA-O 3.19Å; C87-V732 WeakPolarHBondContact CB-O 3.47Å; C87-V732 PolarHBondContact SG-N 3.48Å; C87-F750 HydrophobicContact CB-CD1 3.91Å; C87-F750 HydrophobicContact CB-CE1 3.34Å; C87-F750 HydrophobicContact CB-CZ 3.82Å; C87-Q759 PolarHBondContact N-O 3.31Å; C87-I760 WeakPolarHBondContact O-CA 3.47Å; C87-V761 PolarHBondContact O-N 3.49Å
88	G	96.2	Very high	91.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.2	177.9	0	0	0	0	0	116	V732 L733 L734 V761	G88-V732 PolarHBondContact N-O 3.28Å; G88-L733 CarbonylContact O-C 3.54Å; G88-L733 WeakPolarHBondContact O-CA 3.43Å; G88-L734 PolarHBondContact O-N 3.46Å; G88-V761 CarbonylContact C-O 3.41Å; G88-V761 WeakPolarHBondContact CA-O 3.45Å
89	I	97.6	Very high	91.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.7	177.3	-53.3	165.4	0	0	0	107.9	L734 M739 F742 A745 I746 F750 I760 V761 T762 F763	I89-L734 CarbonylContact C-O 3.54Å; I89-L734 WeakPolarHBondContact CA-O 3.41Å; I89-L734 HydrophobicContact CG1-CB 4.42Å; I89-L734 HydrophobicContact CG1-CD1 4.42Å; I89-M739 HydrophobicContact CG2-CB 4.06Å; I89-M739 HydrophobicContact CG2-CE 3.71Å; I89-M739 HydrophobicContact CG2-CG 4.33Å; I89-F742 HydrophobicContact CB-CD1 4.22Å; I89-F742 HydrophobicContact CB-CE1 4.43Å; I89-F742 HydrophobicContact CD1-CB 4.24Å; I89-F742 HydrophobicContact CG2-CD1 3.48Å; I89-F742 VanDerWaalsContact CG2-CD1 3.48Å; I89-F742 HydrophobicContact CG2-CE1 3.67Å; I89-F742 HydrophobicContact CG2-CG 4.39Å; I89-A745 HydrophobicContact CD1-CB 3.83Å; I89-I746 HydrophobicContact CD1-CD1 4.26Å; I89-I746 HydrophobicContact CD1-CG1 3.54Å; I89-F750 HydrophobicContact CD1-CD2 4.17Å; I89-F750 HydrophobicContact CD1-CE2 3.94Å; I89-F750 HydrophobicContact CG1-CD2 4.34Å; I89-F750 HydrophobicContact CG1-CE2 3.62Å; I89-I760 HydrophobicContact CD1-CG2 4.38Å; I89-V761 PolarHBondContact N-O 2.94Å; I89-T762 HydrophobicContact CD1-CG2 4.45Å; I89-T762 CarbonylContact O-C 3.52Å; I89-T762 WeakPolarHBondContact O-CA 3.3Å; I89-F763 PolarHBondContact O-N 3.01Å
90	F	96.7	Very high	91.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.5	-173.2	-59	-96.3	0	0	0	109.9	L74 T77 V78 T81 L733 L734 V735 G736 F763	L74-F90 HydrophobicContact CD1-CB 4.17Å; L74-F90 HydrophobicContact CD1-CD1 3.69Å; L74-F90 HydrophobicContact CD1-CG 4.26Å; T77-F90 HydrophobicContact CG2-CE1 3.92Å; V78-F90 HydrophobicContact CB-CE1 4.4Å; V78-F90 HydrophobicContact CG2-CD1 3.8Å; V78-F90 HydrophobicContact CG2-CE1 3.48Å; V78-F90 VanDerWaalsContact CG2-CE1 3.48Å; V78-F90 HydrophobicContact CG2-CE2 4.45Å; V78-F90 HydrophobicContact CG2-CG 4.41Å; V78-F90 HydrophobicContact CG2-CZ 3.85Å; T81-F90 HydrophobicContact CG2-CZ 4.23Å; F90-L733 HydrophobicContact CD2-CB 4.33Å; F90-L733 HydrophobicContact CE2-CB 4.12Å; F90-L733 HydrophobicContact CE2-CD2 3.75Å; F90-L733 HydrophobicContact CE2-CG 4.34Å; F90-L733 HydrophobicContact CZ-CD2 4.33Å; F90-L734 PolarHBondContact N-O 3.44Å; F90-V735 HydrophobicContact CB-CG1 4.4Å; F90-V735 HydrophobicContact CB-CG2 4.33Å; F90-V735 HydrophobicContact CD2-CG2 4.46Å; F90-V735 WeakPolarHBondContact O-CA 3.35Å; F90-G736 PolarHBondContact O-N 3.18Å; F90-F763 HydrophobicContact CD1-CB 3.5Å; F90-F763 AromaticContact CD1-CD1 3.91Å; F90-F763 HydrophobicContact CD1-CD1 3.91Å; F90-F763 AromaticContact CD1-CG 3.94Å; F90-F763 HydrophobicContact CD1-CG 3.94Å; F90-F763 HydrophobicContact CE1-CB 3.95Å; F90-F763 HydrophobicContact CE1-CG 4.48Å; F90-F763 HydrophobicContact CG-CB 4.29Å
91	E	94.2	Very high	91.1	Very high	14 Å²	14	16.5 Å²	16.5	7%	0.065	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.6	166.3	-170.2	168.7	139.2	0	0	110.2	G736 M739 Q740 F742 F763 T764 C765	E91-G736 WeakPolarHBondContact CA-O 3.35Å; E91-M739 HydrophobicContact CB-CB 4.15Å; E91-M739 PolarHBondContact OE2-N 3.41Å; E91-Q740 WeakPolarHBondContact OE2-CB 3.43Å; E91-Q740 VanDerWaalsContact OE2-CG 3.27Å; E91-Q740 WeakPolarHBondContact OE2-CG 3.45Å; E91-Q740 PolarHBondContact OE2-N 2.99Å; E91-F742 HydrophobicContact CB-CE1 4.29Å; E91-F742 HydrophobicContact CB-CZ 4.33Å; E91-F763 PolarHBondContact N-O 3.14Å; E91-T764 HydrophobicContact CB-CG2 4.02Å; E91-C765 PolarHBondContact O-N 3.3Å
92	S	91.4	Very high	91.1	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	11%	0.108	C	C	.	.			trans	-140.1	118.3	170.1	-178.4	0	0	0	0	109.3	T96 K98 G736 G737 C765	S92-T96 WeakPolarHBondContact OG-CB 3.37Å; S92-T96 PolarHBondContact OG-OG1 3.26Å; S92-K98 VanDerWaalsContact CB-CG 3.5Å; S92-K98 WeakPolarHBondContact O-CD 3.44Å; S92-K98 WeakPolarHBondContact O-CE 3.36Å; S92-K98 PolarHBondContact O-NZ 3.2Å; S92-K98 WeakPolarHBondContact OG-CG 3.42Å; S92-G736 PolarHBondContact N-O 2.95Å; S92-G737 WeakPolarHBondContact O-CA 3.43Å; S92-C765 PolarHBondContact OG-SG 3Å; S92-C765 VanDerWaalsContact OG-SG 3.39Å
93	P	85.6	Confident	91.1	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.032	11%	0.108	C	C	.	.			trans	-54.2	167.1	-177.4	-29.3	35.3	0	0	0	114.5	T96 K98 C765	P93-T96 HydrophobicContact CB-CG2 4.1Å; P93-T96 WeakPolarHBondContact O-CG2 3.34Å; P93-T96 PolarHBondContact O-OG1 3.38Å; P93-K98 VanDerWaalsContact C-NZ 3.31Å; P93-K98 PolarHBondContact O-NZ 2.93Å; P93-C765 WeakPolarHBondContact CD-O 3.45Å
94	T	79.1	Confident	91.2	Very high	23 Å²	23	15.4 Å²	15.4	14%	0.141	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	153.5	171.5	43.6	0	0	0	0	111	T96 H767 G966	T94-T96 PolarHBondContact O-N 3.45Å; T94-T96 VanDerWaalsContact O-N 3.12Å; T94-H767 PolarHBondContact O-NE2 3.16Å; T94-H767 VanDerWaalsContact O-NE2 3.07Å; T94-G966 WeakPolarHBondContact CB-O 3.33Å; T94-G966 WeakPolarHBondContact OG1-CA 3.43Å; T94-G966 PolarHBondContact OG1-O 3.09Å
95	G	77.3	Confident	91.4	Very high	27 Å²	27	12.5 Å²	12.5	28%	0.278	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-3	178.4	0	0	0	0	0	116.6	G97 R970	G95-G97 VanDerWaalsContact C-N 3.31Å; G95-G97 PolarHBondContact O-N 2.93Å; G95-R970 WeakPolarHBondContact CA-O 3.43Å
96	T	81.2	Confident	91.7	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.018	6%	0.06	C	C	.	.	S	Bend	trans	-78.1	-10.6	178.4	60.4	0	0	0	0	114.3	Q71 S92 P93 T94 V768	Q71-T96 WeakPolarHBondContact CG-O 3.42Å; Q71-T96 PolarHBondContact NE2-O 2.94Å; S92-T96 WeakPolarHBondContact OG-CB 3.37Å; S92-T96 PolarHBondContact OG-OG1 3.26Å; P93-T96 HydrophobicContact CB-CG2 4.1Å; P93-T96 WeakPolarHBondContact O-CG2 3.34Å; P93-T96 PolarHBondContact O-OG1 3.38Å; T94-T96 PolarHBondContact O-N 3.45Å; T94-T96 VanDerWaalsContact O-N 3.12Å; T96-V768 HydrophobicContact CG2-CG2 4.13Å
97	G	85.9	Confident	91.7	Very high	30 Å²	30	7.6 Å²	7.6	31%	0.309	6%	0.056	S	C	.	.			trans	80.4	28.1	-174.1	0	0	0	0	0	114.7	G95 S99 L100 S101	G95-G97 VanDerWaalsContact C-N 3.31Å; G95-G97 PolarHBondContact O-N 2.93Å; G97-S99 PolarHBondContact O-N 3.03Å; G97-L100 WeakPolarHBondContact O-CB 3.25Å; G97-L100 PolarHBondContact O-N 3.13Å; G97-L100 VanDerWaalsContact O-N 3.14Å; G97-S101 PolarHBondContact O-N 3.2Å; G97-S101 PolarHBondContact O-OG 2.97Å
98	K	89.8	Confident	91.7	Very high	19 Å²	19	10.4 Å²	10.4	8%	0.083	7%	0.067	C	C	.	.	H	α-helix	trans	-33.7	-62.9	175.9	-80.8	-166	-74.8	-72.1	0	115.6	S92 P93 L100 S101 L102 V735	S92-K98 VanDerWaalsContact CB-CG 3.5Å; S92-K98 WeakPolarHBondContact O-CD 3.44Å; S92-K98 WeakPolarHBondContact O-CE 3.36Å; S92-K98 PolarHBondContact O-NZ 3.2Å; S92-K98 WeakPolarHBondContact OG-CG 3.42Å; P93-K98 VanDerWaalsContact C-NZ 3.31Å; P93-K98 PolarHBondContact O-NZ 2.93Å; K98-L100 PolarHBondContact O-N 3.38Å; K98-S101 PolarHBondContact O-N 3.36Å; K98-L102 WeakPolarHBondContact O-CB 3.38Å; K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.48Å; K98-L102 PolarHBondContact O-N 2.92Å; K98-V735 HydrophobicContact CD-CG1 4.17Å
99	S	92.2	Very high	91.6	Very high	29 Å²	29	10.4 Å²	10.4	20%	0.203	7%	0.067	C	C	.	.	H	α-helix	trans	-60.7	-39.3	-171.4	-47.5	0	0	0	0	111.2	G97 L103	G97-S99 PolarHBondContact O-N 3.03Å; S99-L103 WeakPolarHBondContact O-CB 3.2Å; S99-L103 WeakPolarHBondContact O-CG 3.3Å; S99-L103 PolarHBondContact O-N 3.39Å
100	L	92.7	Very high	91.6	Very high	7 Å²	7	10.4 Å²	10.4	4%	0.037	7%	0.067	C	C	.	.	H	α-helix	trans	-67.4	-48.3	177.9	-172.3	68.4	0	0	0	111.6	F62 P63 Y64 G97 K98 L102 L103 T104 C295	F62-L100 HydrophobicContact CD2-CD2 4.24Å; F62-L100 HydrophobicContact CD2-CG 4.2Å; F62-L100 HydrophobicContact CE1-CD2 4.27Å; F62-L100 HydrophobicContact CE2-CB 4.39Å; F62-L100 HydrophobicContact CE2-CD2 3.5Å; F62-L100 HydrophobicContact CE2-CG 3.65Å; F62-L100 HydrophobicContact CZ-CD2 3.52Å; F62-L100 HydrophobicContact CZ-CG 4.2Å; P63-L100 HydrophobicContact CG-CD1 3.62Å; P63-L100 HydrophobicContact CG-CD2 3.55Å; P63-L100 HydrophobicContact CG-CG 4.06Å; Y64-L100 HydrophobicContact CD2-CD2 3.84Å; Y64-L100 HydrophobicContact CE2-CD2 3.55Å; G97-L100 WeakPolarHBondContact O-CB 3.25Å; G97-L100 PolarHBondContact O-N 3.13Å; G97-L100 VanDerWaalsContact O-N 3.14Å; K98-L100 PolarHBondContact O-N 3.38Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-L102 PolarHBondContact O-N 2.91Å; L100-L103 PolarHBondContact O-N 2.91Å; L100-T104 WeakPolarHBondContact O-CB 3.18Å; L100-T104 PolarHBondContact O-N 2.9Å; L100-T104 PolarHBondContact O-OG1 3.18Å; L100-C295 WeakPolarHBondContact CD1-SG 3.42Å
101	S	94.3	Very high	91.5	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	7%	0.072	C	C	.	.	H	α-helix	trans	-59	-43.8	176	-64.1	0	0	0	0	112.3	Q71 M75 G97 K98 A105	Q71-S101 WeakPolarHBondContact CB-OG 3.36Å; Q71-S101 WeakPolarHBondContact CG-OG 3.32Å; M75-S101 WeakPolarHBondContact CG-O 3.12Å; G97-S101 PolarHBondContact O-N 3.2Å; G97-S101 PolarHBondContact O-OG 2.97Å; K98-S101 PolarHBondContact O-N 3.36Å; S101-A105 WeakPolarHBondContact O-CB 3.35Å; S101-A105 PolarHBondContact O-N 3.4Å
102	L	95.3	Very high	91.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-52.7	177.1	-71.8	166.2	0	0	0	111.2	V78 K98 L100 T104 A105 T106 Y277 I460 V735	V78-L102 HydrophobicContact CG2-CD2 4.07Å; K98-L102 WeakPolarHBondContact O-CB 3.38Å; K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.48Å; K98-L102 PolarHBondContact O-N 2.92Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-L102 PolarHBondContact O-N 2.91Å; L102-T104 VanDerWaalsContact C-N 3.35Å; L102-T104 PolarHBondContact O-N 3.43Å; L102-A105 PolarHBondContact O-N 2.94Å; L102-T106 WeakPolarHBondContact O-CB 3.32Å; L102-T106 WeakPolarHBondContact O-CG2 3.4Å; L102-T106 PolarHBondContact O-N 2.99Å; L102-T106 PolarHBondContact O-OG1 2.95Å; L102-Y277 HydrophobicContact CB-CE2 4.36Å; L102-Y277 HydrophobicContact CD1-CE2 4.41Å; L102-I460 HydrophobicContact CD1-CG2 4.35Å; L102-V735 HydrophobicContact CD1-CB 4.13Å; L102-V735 HydrophobicContact CD1-CG1 3.67Å; L102-V735 HydrophobicContact CD1-CG2 3.87Å; L102-V735 HydrophobicContact CD2-CG1 4.48Å; L102-V735 HydrophobicContact CD2-CG2 3.83Å
103	L	96	Very high	91.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.1	-47.2	179.3	-73.6	170	0	0	0	111.4	S99 L100 L107 Y277 V288 E291 F292 L433	S99-L103 WeakPolarHBondContact O-CB 3.2Å; S99-L103 WeakPolarHBondContact O-CG 3.3Å; S99-L103 PolarHBondContact O-N 3.39Å; L100-L103 PolarHBondContact O-N 2.91Å; L103-L107 HydrophobicContact CB-CD1 4.47Å; L103-L107 HydrophobicContact CD2-CD1 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.46Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 2.92Å; L103-Y277 HydrophobicContact CD2-CD2 4.18Å; L103-Y277 HydrophobicContact CD2-CE2 4.48Å; L103-V288 HydrophobicContact CD1-CG1 3.96Å; L103-V288 HydrophobicContact CD2-CG1 4.23Å; L103-V288 HydrophobicContact CG-CG1 4.39Å; L103-E291 HydrophobicContact CD1-CB 4.38Å; L103-F292 HydrophobicContact CD1-CB 3.83Å; L103-L433 HydrophobicContact CD2-CD1 4.32Å; L103-L433 HydrophobicContact CD2-CD2 3.97Å
104	T	95.4	Very high	92	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.7	-48.1	179.4	-61.6	0	0	0	0	111.4	F59 D61 F62 M75 L100 L102 R108	F59-T104 HydrophobicContact CB-CG2 3.79Å; F59-T104 HydrophobicContact CD1-CG2 4.08Å; F59-T104 HydrophobicContact CG-CG2 4.25Å; D61-T104 HydrophobicContact CB-CG2 4.11Å; F62-T104 HydrophobicContact CB-CG2 4.26Å; F62-T104 HydrophobicContact CD2-CG2 4.3Å; M75-T104 HydrophobicContact SD-CG2 3.79Å; L100-T104 WeakPolarHBondContact O-CB 3.18Å; L100-T104 PolarHBondContact O-N 2.9Å; L100-T104 PolarHBondContact O-OG1 3.18Å; L102-T104 VanDerWaalsContact C-N 3.35Å; L102-T104 PolarHBondContact O-N 3.43Å; T104-R108 WeakPolarHBondContact O-CB 3.47Å; T104-R108 PolarHBondContact O-N 3.22Å
105	A	95.3	Very high	92.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.1	-48.7	-178.9	0	0	0	0	0	112.8	F59 M75 V78 S101 L102 W109	F59-A105 HydrophobicContact CE1-CB 4.45Å; M75-A105 HydrophobicContact CB-CB 3.9Å; M75-A105 HydrophobicContact CG-CB 4.01Å; M75-A105 WeakPolarHBondContact O-CB 3.4Å; V78-A105 HydrophobicContact CB-CB 4.08Å; V78-A105 HydrophobicContact CG1-CB 3.89Å; S101-A105 WeakPolarHBondContact O-CB 3.35Å; S101-A105 PolarHBondContact O-N 3.4Å; L102-A105 PolarHBondContact O-N 2.94Å; A105-W109 WeakPolarHBondContact O-CB 3.34Å; A105-W109 PolarHBondContact O-N 2.94Å
106	T	96.8	Very high	93.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.4	-42.1	-174.9	61.4	0	0	0	0	111.8	V78 L82 L102 W109 L110 I275 I460 L733	V78-T106 HydrophobicContact CG1-CG2 3.72Å; L82-T106 HydrophobicContact CD1-CG2 3.79Å; L102-T106 WeakPolarHBondContact O-CB 3.32Å; L102-T106 WeakPolarHBondContact O-CG2 3.4Å; L102-T106 PolarHBondContact O-N 2.99Å; L102-T106 PolarHBondContact O-OG1 2.95Å; T106-W109 PolarHBondContact O-N 3.06Å; T106-L110 WeakPolarHBondContact O-CB 3.37Å; T106-L110 PolarHBondContact O-N 3.34Å; T106-I275 VanDerWaalsContact O-CD1 3.25Å; T106-I275 WeakPolarHBondContact O-CD1 3.46Å; T106-I460 HydrophobicContact CG2-CD1 3.56Å; T106-I460 HydrophobicContact CG2-CG1 4.46Å; T106-L733 HydrophobicContact CG2-CD1 4.22Å
107	L	96.6	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-71.9	-35	179.8	-64	179.6	0	0	0	111.7	L103 L110 L111 I275 F292 L298 V302 L433	L103-L107 HydrophobicContact CB-CD1 4.47Å; L103-L107 HydrophobicContact CD2-CD1 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.46Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 2.92Å; L107-L110 WeakPolarHBondContact O-CB 3.27Å; L107-L110 PolarHBondContact O-N 2.89Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.15Å; L107-I275 HydrophobicContact CD2-CD1 3.77Å; L107-F292 HydrophobicContact CD1-CD2 3.58Å; L107-F292 HydrophobicContact CD1-CE2 3.3Å; L107-F292 HydrophobicContact CD1-CZ 4.32Å; L107-L298 HydrophobicContact CB-CD1 4.01Å; L107-L298 HydrophobicContact CB-CD2 4.09Å; L107-L298 HydrophobicContact CB-CG 4.47Å; L107-L298 HydrophobicContact CD1-CB 4.28Å; L107-L298 HydrophobicContact CD1-CD1 4.29Å; L107-V302 HydrophobicContact CD2-CG1 3.83Å; L107-V302 HydrophobicContact CD2-CG2 4.4Å; L107-L433 HydrophobicContact CD1-CD2 4.48Å; L107-L433 HydrophobicContact CD2-CB 4.41Å
108	R	95.3	Very high	94.2	Very high	60 Å²	60	21.2 Å²	21.2	23%	0.226	10%	0.1	C	C	.	.	H	α-helix	trans	-63.5	-49.1	173.4	-178.1	49.4	133.8	137.6	-0.7	111.1	F59 D61 T104 L110 L111 D112	F59-R108 HydrophobicContact CD1-CB 4.32Å; F59-R108 HydrophobicContact CD1-CG 4.29Å; F59-R108 HydrophobicContact CE1-CB 4.5Å; F59-R108 HydrophobicContact CE1-CG 4.48Å; D61-R108 WeakPolarHBondContact OD2-CD 3.33Å; D61-R108 IonicContact OD2-CZ 3.99Å; D61-R108 IonicContact OD2-NE 2.88Å; D61-R108 PolarHBondContact OD2-NE 2.88Å; D61-R108 IonicContact OD2-NH2 3.73Å; T104-R108 WeakPolarHBondContact O-CB 3.47Å; T104-R108 PolarHBondContact O-N 3.22Å; R108-L110 VanDerWaalsContact C-N 3.26Å; R108-L110 PolarHBondContact O-N 3.47Å; R108-L111 PolarHBondContact O-N 3.36Å; R108-L111 VanDerWaalsContact O-N 3.09Å; R108-D112 IonicContact CZ-OD1 3.04Å; R108-D112 IonicContact NH1-OD1 3.6Å; R108-D112 PolarHBondContact NH1-OD1 3.47Å; R108-D112 VanDerWaalsContact O-CG 3.24Å; R108-D112 PolarHBondContact O-N 3.48Å
109	W	95.9	Very high	94.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.2	-39.2	174.3	-179	85.7	0	0	0	112	Y79 L82 E83 A105 T106 D112 Y113 L273 I458 R730	Y79-W109 AromaticContact CD1-CD1 3.96Å; Y79-W109 HydrophobicContact CD2-CB 3.62Å; Y79-W109 HydrophobicContact CD2-CG 4.24Å; Y79-W109 AromaticContact CE1-CD1 3.69Å; Y79-W109 HydrophobicContact CE2-CB 3.54Å; Y79-W109 AromaticContact CE2-CD1 3.82Å; Y79-W109 HydrophobicContact CE2-CG 4.08Å; Y79-W109 HydrophobicContact CG-CB 4.35Å; Y79-W109 AromaticContact CZ-CD1 3.59Å; L82-W109 HydrophobicContact CB-CD2 3.73Å; L82-W109 HydrophobicContact CB-CE3 4.15Å; L82-W109 HydrophobicContact CB-CG 4.05Å; L82-W109 HydrophobicContact CB-CZ2 4.25Å; L82-W109 HydrophobicContact CD1-CB 4.29Å; L82-W109 HydrophobicContact CD1-CD2 4.04Å; L82-W109 HydrophobicContact CD1-CE3 3.95Å; L82-W109 HydrophobicContact CD1-CG 4.19Å; E83-W109 PolarHBondContact OE2-NE1 2.87Å; A105-W109 WeakPolarHBondContact O-CB 3.34Å; A105-W109 PolarHBondContact O-N 2.94Å; T106-W109 PolarHBondContact O-N 3.06Å; W109-D112 PolarHBondContact O-N 3.44Å; W109-Y113 AromaticContact CH2-CD2 3.9Å; W109-Y113 HydrophobicContact CH2-CD2 3.9Å; W109-Y113 HydrophobicContact CH2-CE2 4.47Å; W109-Y113 HydrophobicContact CH2-CG 4.07Å; W109-Y113 AromaticContact CZ2-CD2 3.94Å; W109-Y113 HydrophobicContact CZ2-CD2 3.94Å; W109-Y113 HydrophobicContact CZ2-CG 4.39Å; W109-Y113 HydrophobicContact CZ3-CG 4.45Å; W109-Y113 WeakPolarHBondContact O-CB 3.39Å; W109-Y113 PolarHBondContact O-N 2.81Å; W109-L273 HydrophobicContact CE3-CD2 4.49Å; W109-L273 HydrophobicContact CH2-CD2 3.59Å; W109-L273 HydrophobicContact CZ3-CD2 3.3Å; W109-I458 HydrophobicContact CE3-CD1 3.68Å; W109-I458 HydrophobicContact CH2-CD1 3.9Å; W109-I458 HydrophobicContact CZ3-CD1 3.16Å; W109-R730 VanDerWaalsContact CZ2-NH2 3.32Å
110	L	95.7	Very high	94.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-43.4	175.1	175.8	67.4	0	0	0	112.3	T106 L107 R108 Y113 N114 L273 I275 Q432	T106-L110 WeakPolarHBondContact O-CB 3.37Å; T106-L110 PolarHBondContact O-N 3.34Å; L107-L110 WeakPolarHBondContact O-CB 3.27Å; L107-L110 PolarHBondContact O-N 2.89Å; R108-L110 VanDerWaalsContact C-N 3.26Å; R108-L110 PolarHBondContact O-N 3.47Å; L110-Y113 PolarHBondContact O-N 2.87Å; L110-N114 PolarHBondContact O-N 2.98Å; L110-N114 PolarHBondContact O-ND2 2.84Å; L110-N114 PolarHBondContact O-OD1 3.17Å; L110-L273 HydrophobicContact CD1-CB 3.93Å; L110-L273 HydrophobicContact CD1-CD2 3.79Å; L110-L273 HydrophobicContact CD1-CG 4.16Å; L110-I275 HydrophobicContact CB-CD1 3.75Å; L110-I275 HydrophobicContact CD2-CD1 3.91Å; L110-I275 HydrophobicContact CD2-CG1 4.39Å; L110-I275 HydrophobicContact CG-CD1 4.35Å; L110-Q432 HydrophobicContact CD2-CB 3.94Å; L110-Q432 HydrophobicContact CD2-CG 4.33Å
111	L	94.6	Very high	94.2	Very high	20 Å²	20	26 Å²	26	11%	0.105	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-44.1	177.5	-67.9	-179.7	0	0	0	111.4	L107 R108 Y113 N114 E115 L298 K301 V302	L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.15Å; R108-L111 PolarHBondContact O-N 3.36Å; R108-L111 VanDerWaalsContact O-N 3.09Å; L111-Y113 VanDerWaalsContact C-N 3.28Å; L111-Y113 PolarHBondContact O-N 3.02Å; L111-N114 WeakPolarHBondContact O-CB 3.36Å; L111-N114 PolarHBondContact O-N 3.45Å; L111-N114 VanDerWaalsContact O-N 3.13Å; L111-E115 PolarHBondContact O-N 3.47Å; L111-L298 HydrophobicContact CD1-CD2 3.68Å; L111-K301 HydrophobicContact CD1-CB 4.32Å; L111-K301 HydrophobicContact CD1-CD 3.83Å; L111-K301 HydrophobicContact CD2-CB 4.33Å; L111-V302 HydrophobicContact CD2-CG2 4.13Å; L111-V302 HydrophobicContact CG-CG2 4.44Å
112	D	94.6	Very high	94	Very high	20 Å²	20	30 Å²	30	11%	0.107	14%	0.144	C	C	.	.	H	α-helix	trans	-65.3	-36	178	-58	-18.6	0	0	0	110.7	I53 Y79 R108 W109 E115 K116	I53-D112 HydrophobicContact CD1-CB 4.29Å; I53-D112 HydrophobicContact CG2-CB 4.22Å; Y79-D112 PolarHBondContact OH-OD2 3.47Å; Y79-D112 VanDerWaalsContact OH-OD2 3.05Å; R108-D112 IonicContact CZ-OD1 3.04Å; R108-D112 IonicContact NH1-OD1 3.6Å; R108-D112 PolarHBondContact NH1-OD1 3.47Å; R108-D112 VanDerWaalsContact O-CG 3.24Å; R108-D112 PolarHBondContact O-N 3.48Å; W109-D112 PolarHBondContact O-N 3.44Å; D112-E115 PolarHBondContact O-N 3.5Å; D112-K116 WeakPolarHBondContact O-CB 3.35Å; D112-K116 PolarHBondContact O-N 2.81Å
113	Y	93.9	Very high	93.8	Very high	41 Å²	41	31.5 Å²	31.5	16%	0.161	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-42.8	171.4	179.7	-93.7	0	0	0	111.9	W109 L110 L111 E115 K116 Q117 L273	W109-Y113 AromaticContact CH2-CD2 3.9Å; W109-Y113 HydrophobicContact CH2-CD2 3.9Å; W109-Y113 HydrophobicContact CH2-CE2 4.47Å; W109-Y113 HydrophobicContact CH2-CG 4.07Å; W109-Y113 AromaticContact CZ2-CD2 3.94Å; W109-Y113 HydrophobicContact CZ2-CD2 3.94Å; W109-Y113 HydrophobicContact CZ2-CG 4.39Å; W109-Y113 HydrophobicContact CZ3-CG 4.45Å; W109-Y113 WeakPolarHBondContact O-CB 3.39Å; W109-Y113 PolarHBondContact O-N 2.81Å; L110-Y113 PolarHBondContact O-N 2.87Å; L111-Y113 VanDerWaalsContact C-N 3.28Å; L111-Y113 PolarHBondContact O-N 3.02Å; Y113-E115 VanDerWaalsContact C-N 3.34Å; Y113-E115 PolarHBondContact O-N 2.99Å; Y113-K116 WeakPolarHBondContact O-CB 3.42Å; Y113-K116 PolarHBondContact O-N 3.39Å; Y113-Q117 HydrophobicContact CD1-CG 4.1Å; Y113-Q117 HydrophobicContact CE1-CG 3.7Å; Y113-Q117 VanDerWaalsContact CE2-NE2 3.26Å; Y113-Q117 WeakPolarHBondContact O-CG 3.41Å; Y113-Q117 PolarHBondContact O-N 3.39Å; Y113-Q117 PolarHBondContact OH-NE2 2.59Å; Y113-L273 HydrophobicContact CD1-CB 4.37Å; Y113-L273 HydrophobicContact CD1-CD2 3.84Å; Y113-L273 HydrophobicContact CE1-CB 4.08Å; Y113-L273 HydrophobicContact CE1-CD2 3.95Å; Y113-L273 HydrophobicContact CG-CD2 4.31Å
114	N	94	Very high	93.5	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-44.4	175.8	-66.1	-23.4	0	0	0	111.5	L110 L111 K116 Q117 I118 Y169 L173 Q432	L110-N114 PolarHBondContact O-N 2.98Å; L110-N114 PolarHBondContact O-ND2 2.84Å; L110-N114 PolarHBondContact O-OD1 3.17Å; L111-N114 WeakPolarHBondContact O-CB 3.36Å; L111-N114 PolarHBondContact O-N 3.45Å; L111-N114 VanDerWaalsContact O-N 3.13Å; N114-K116 VanDerWaalsContact C-N 3.33Å; N114-Q117 PolarHBondContact O-N 3.1Å; N114-I118 WeakPolarHBondContact O-CG1 3.39Å; N114-I118 PolarHBondContact O-N 3.4Å; N114-I118 VanDerWaalsContact O-N 3.12Å; N114-Y169 HydrophobicContact CB-CE1 4.48Å; N114-Y169 PolarHBondContact OD1-OH 2.81Å; N114-L173 HydrophobicContact CB-CD1 4.02Å; N114-L173 HydrophobicContact CB-CD2 4.48Å; N114-Q432 PolarHBondContact ND2-NE2 3.03Å
115	E	93	Very high	93.2	Very high	104 Å²	104	34.4 Å²	34.4	49%	0.486	17%	0.169	S	C	.	.	H	α-helix	trans	-61.6	-42.7	175.8	-70.4	179.4	-175.1	0	0	111	L111 D112 Y113 Q117 I118 I119	L111-E115 PolarHBondContact O-N 3.47Å; D112-E115 PolarHBondContact O-N 3.5Å; Y113-E115 VanDerWaalsContact C-N 3.34Å; Y113-E115 PolarHBondContact O-N 2.99Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; E115-Q117 PolarHBondContact O-N 3.42Å; E115-I118 PolarHBondContact O-N 2.87Å; E115-I119 WeakPolarHBondContact O-CG1 3.39Å; E115-I119 PolarHBondContact O-N 3.19Å
116	K	91.9	Very high	92.8	Very high	53 Å²	53	37 Å²	37	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-41.8	174.2	-179.8	170.5	175.2	168.1	0	112.4	S51 I53 E83 D112 Y113 N114 I118 I119 L120	S51-K116 PolarHBondContact O-NZ 2.86Å; I53-K116 HydrophobicContact CD1-CB 4.39Å; I53-K116 HydrophobicContact CD1-CD 3.93Å; I53-K116 HydrophobicContact CG1-CD 3.74Å; E83-K116 IonicContact OE1-NZ 3.5Å; E83-K116 PolarHBondContact OE1-NZ 3.41Å; D112-K116 WeakPolarHBondContact O-CB 3.35Å; D112-K116 PolarHBondContact O-N 2.81Å; Y113-K116 WeakPolarHBondContact O-CB 3.42Å; Y113-K116 PolarHBondContact O-N 3.39Å; N114-K116 VanDerWaalsContact C-N 3.33Å; K116-I118 VanDerWaalsContact C-N 3.35Å; K116-I118 PolarHBondContact O-N 2.83Å; K116-I119 PolarHBondContact O-N 2.87Å; K116-L120 WeakPolarHBondContact O-CB 3.23Å; K116-L120 PolarHBondContact O-N 3.08Å
117	Q	92.2	Very high	92.3	Very high	26 Å²	26	39.3 Å²	39.3	12%	0.121	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-39	176.2	-64.9	-44.5	-50.6	0	0	112.3	Y113 N114 E115 L120 L121 L166 Y169	Y113-Q117 HydrophobicContact CD1-CG 4.1Å; Y113-Q117 HydrophobicContact CE1-CG 3.7Å; Y113-Q117 VanDerWaalsContact CE2-NE2 3.26Å; Y113-Q117 WeakPolarHBondContact O-CG 3.41Å; Y113-Q117 PolarHBondContact O-N 3.39Å; Y113-Q117 PolarHBondContact OH-NE2 2.59Å; N114-Q117 PolarHBondContact O-N 3.1Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; E115-Q117 PolarHBondContact O-N 3.42Å; Q117-L120 PolarHBondContact O-N 2.93Å; Q117-L121 PolarHBondContact O-N 3.29Å; Q117-L166 HydrophobicContact CB-CD2 3.93Å; Q117-L166 HydrophobicContact CG-CD2 4.4Å; Q117-L166 VanDerWaalsContact OE1-CD2 3.3Å; Q117-Y169 HydrophobicContact CB-CD1 4.13Å; Q117-Y169 HydrophobicContact CB-CE1 3.97Å; Q117-Y169 HydrophobicContact CG-CE1 4.05Å
118	I	92.4	Very high	91.7	Very high	56 Å²	56	41.2 Å²	41.2	29%	0.287	21%	0.207	S	C	.	.	H	α-helix	trans	-67	-41.2	177	-65.3	166.7	0	0	0	111.1	N114 E115 K116 L121 N122 L173	N114-I118 WeakPolarHBondContact O-CG1 3.39Å; N114-I118 PolarHBondContact O-N 3.4Å; N114-I118 VanDerWaalsContact O-N 3.12Å; E115-I118 PolarHBondContact O-N 2.87Å; K116-I118 VanDerWaalsContact C-N 3.35Å; K116-I118 PolarHBondContact O-N 2.83Å; I118-L121 PolarHBondContact O-N 3.08Å; I118-N122 PolarHBondContact O-N 2.95Å; I118-N122 VanDerWaalsContact O-N 3.14Å; I118-N122 PolarHBondContact O-ND2 2.74Å; I118-L173 HydrophobicContact CD1-CD1 4Å; I118-L173 HydrophobicContact CG1-CD1 4.36Å
119	I	92.1	Very high	91.2	Very high	115 Å²	115	45.3 Å²	45.3	59%	0.59	23%	0.227	S	C	*	.	H	α-helix	trans	-64.5	-43.3	176.2	-66.8	166	0	0	0	110.5	E115 K116 L121 N122 S123	E115-I119 WeakPolarHBondContact O-CG1 3.39Å; E115-I119 PolarHBondContact O-N 3.19Å; K116-I119 PolarHBondContact O-N 2.87Å; I119-L121 PolarHBondContact O-N 3.25Å; I119-N122 PolarHBondContact O-N 3.19Å; I119-S123 PolarHBondContact O-N 3.09Å
120	L	90.8	Very high	90.6	Very high	39 Å²	39	50.5 Å²	50.5	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-46.8	176.3	179.2	62.4	0	0	0	111.3	L49 K116 Q117 N122 S123 L124 L166	L49-L120 HydrophobicContact CD1-CD1 4.21Å; L49-L120 HydrophobicContact CD2-CD1 3.54Å; L49-L120 HydrophobicContact CG-CD1 3.73Å; K116-L120 WeakPolarHBondContact O-CB 3.23Å; K116-L120 PolarHBondContact O-N 3.08Å; Q117-L120 PolarHBondContact O-N 2.93Å; L120-N122 PolarHBondContact O-N 3.44Å; L120-S123 WeakPolarHBondContact O-CB 3.29Å; L120-S123 PolarHBondContact O-N 3.1Å; L120-L124 HydrophobicContact CD1-CD1 4.24Å; L120-L124 HydrophobicContact CD1-CG 4.18Å; L120-L124 HydrophobicContact CG-CD1 4.13Å; L120-L124 HydrophobicContact CG-CG 4.45Å; L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 2.92Å; L120-L166 HydrophobicContact CD2-CD1 4.11Å; L120-L166 HydrophobicContact CG-CD1 4.03Å
121	L	91.3	Very high	89.6	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-55.8	-49.3	176.3	175.2	60.2	0	0	0	111.9	Q117 I118 I119 S123 L124 Q125 I163 L166 L167 Q170	Q117-L121 PolarHBondContact O-N 3.29Å; I118-L121 PolarHBondContact O-N 3.08Å; I119-L121 PolarHBondContact O-N 3.25Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 3.25Å; L121-L124 PolarHBondContact O-N 3.17Å; L121-Q125 HydrophobicContact CD1-CG 4.16Å; L121-Q125 WeakPolarHBondContact O-CB 3.39Å; L121-Q125 WeakPolarHBondContact O-CG 3.37Å; L121-Q125 PolarHBondContact O-N 3.29Å; L121-I163 HydrophobicContact CD1-CG2 4Å; L121-L166 HydrophobicContact CB-CB 4.04Å; L121-L166 HydrophobicContact CB-CD1 4.08Å; L121-L166 HydrophobicContact CD1-CB 3.77Å; L121-L166 HydrophobicContact CD2-CB 4.37Å; L121-L166 HydrophobicContact CG-CB 4.26Å; L121-L167 HydrophobicContact CD1-CD2 4.4Å; L121-L167 HydrophobicContact CD1-CG 4.22Å; L121-L167 HydrophobicContact CD2-CD2 4.21Å; L121-Q170 HydrophobicContact CD2-CB 4.25Å; L121-Q170 VanDerWaalsContact CD2-OE1 3.31Å
122	N	91.5	Very high	88.6	Confident	86 Å²	86	52.8 Å²	52.8	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-39	179.4	-69.4	-30.3	0	0	0	111.9	I118 I119 L120 S126	I118-N122 PolarHBondContact O-N 2.95Å; I118-N122 VanDerWaalsContact O-N 3.14Å; I118-N122 PolarHBondContact O-ND2 2.74Å; I119-N122 PolarHBondContact O-N 3.19Å; L120-N122 PolarHBondContact O-N 3.44Å; N122-S126 WeakPolarHBondContact O-CB 3.33Å; N122-S126 PolarHBondContact O-N 2.96Å
123	S	90.1	Very high	87.6	Confident	32 Å²	32	56.8 Å²	56.8	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-50.4	176.6	-173.3	0	0	0	0	111.5	L49 I119 L120 L121 Q125 S126 Q127	L49-S123 WeakPolarHBondContact CD1-OG 3.29Å; I119-S123 PolarHBondContact O-N 3.09Å; L120-S123 WeakPolarHBondContact O-CB 3.29Å; L120-S123 PolarHBondContact O-N 3.1Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 3.25Å; S123-Q125 VanDerWaalsContact C-N 3.33Å; S123-Q125 PolarHBondContact O-N 3Å; S123-S126 WeakPolarHBondContact O-CB 3.42Å; S123-S126 PolarHBondContact O-N 2.99Å; S123-S126 VanDerWaalsContact O-N 3.08Å; S123-S126 PolarHBondContact O-OG 3.16Å; S123-Q127 WeakPolarHBondContact O-CG 3.38Å; S123-Q127 PolarHBondContact O-N 3.17Å
124	L	89.4	Confident	86.2	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-41.5	178.8	-68.9	177.5	0	0	0	111.7	L120 L121 S126 Q127 L128 I159 Q162 I163 L166	L120-L124 HydrophobicContact CD1-CD1 4.24Å; L120-L124 HydrophobicContact CD1-CG 4.18Å; L120-L124 HydrophobicContact CG-CD1 4.13Å; L120-L124 HydrophobicContact CG-CG 4.45Å; L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 2.92Å; L121-L124 PolarHBondContact O-N 3.17Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.13Å; L124-Q127 PolarHBondContact O-N 3.27Å; L124-L128 PolarHBondContact O-N 3.09Å; L124-I159 HydrophobicContact CB-CG2 4.08Å; L124-I159 HydrophobicContact CD2-CG1 4.35Å; L124-I159 HydrophobicContact CD2-CG2 4.07Å; L124-I159 HydrophobicContact CG-CG2 4.48Å; L124-Q162 HydrophobicContact CD1-CB 4.14Å; L124-I163 HydrophobicContact CB-CD1 4.05Å; L124-I163 HydrophobicContact CB-CG1 3.84Å; L124-I163 HydrophobicContact CD1-CG1 4.35Å; L124-L166 HydrophobicContact CD1-CD1 3.97Å
125	Q	89.8	Confident	84.5	Confident	57 Å²	57	59.8 Å²	59.8	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-35.7	174	-74.4	-177.9	-11.7	0	0	112.7	L121 S123 K129 I163	L121-Q125 HydrophobicContact CD1-CG 4.16Å; L121-Q125 WeakPolarHBondContact O-CB 3.39Å; L121-Q125 WeakPolarHBondContact O-CG 3.37Å; L121-Q125 PolarHBondContact O-N 3.29Å; S123-Q125 VanDerWaalsContact C-N 3.33Å; S123-Q125 PolarHBondContact O-N 3Å; Q125-K129 WeakPolarHBondContact O-CG 3.34Å; Q125-K129 PolarHBondContact O-N 3.2Å; Q125-K129 VanDerWaalsContact O-N 3.16Å; Q125-I163 HydrophobicContact CG-CD1 4.35Å; Q125-I163 HydrophobicContact CG-CG2 4.34Å
126	S	87.6	Confident	82.7	Confident	55 Å²	55	59.4 Å²	59.4	39%	0.385	30%	0.296	S	S	.	.	H	α-helix	trans	-69.4	-40.2	176	75.5	0	0	0	0	112.1	N122 S123 L124 K129 L130	N122-S126 WeakPolarHBondContact O-CB 3.33Å; N122-S126 PolarHBondContact O-N 2.96Å; S123-S126 WeakPolarHBondContact O-CB 3.42Å; S123-S126 PolarHBondContact O-N 2.99Å; S123-S126 VanDerWaalsContact O-N 3.08Å; S123-S126 PolarHBondContact O-OG 3.16Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.13Å; S126-K129 PolarHBondContact O-N 3.48Å; S126-L130 WeakPolarHBondContact O-CG 3.1Å; S126-L130 PolarHBondContact O-N 2.99Å
127	Q	85.5	Confident	80.8	Confident	48 Å²	48	63.1 Å²	63.1	22%	0.224	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-46.6	175	-73.6	177.4	-21.4	0	0	111	S123 L124 K129 L130 M131	S123-Q127 WeakPolarHBondContact O-CG 3.38Å; S123-Q127 PolarHBondContact O-N 3.17Å; L124-Q127 PolarHBondContact O-N 3.27Å; Q127-K129 VanDerWaalsContact C-N 3.28Å; Q127-K129 PolarHBondContact O-N 2.86Å; Q127-L130 PolarHBondContact O-N 3.2Å; Q127-L130 VanDerWaalsContact O-N 3.15Å; Q127-M131 WeakPolarHBondContact O-CG 3.38Å; Q127-M131 PolarHBondContact O-N 3.05Å
128	L	84.3	Confident	78.8	Confident	39 Å²	39	66.2 Å²	66.2	20%	0.204	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-37.2	178	-168.8	145.3	0	0	0	112.2	L124 N132 E160 I163	L124-L128 PolarHBondContact O-N 3.09Å; L128-N132 PolarHBondContact O-N 2.9Å; L128-N132 PolarHBondContact O-ND2 3.16Å; L128-E160 HydrophobicContact CD1-CG 4.11Å; L128-I163 HydrophobicContact CD1-CD1 3.97Å
129	K	84.5	Confident	76.8	Confident	147 Å²	147	68.7 Å²	68.7	64%	0.639	35%	0.346	S	S	*	.	H	α-helix	trans	-67	-41.7	174	-74.6	174.4	-176.9	176.8	0	112.8	Q125 S126 Q127 N132 H133	Q125-K129 WeakPolarHBondContact O-CG 3.34Å; Q125-K129 PolarHBondContact O-N 3.2Å; Q125-K129 VanDerWaalsContact O-N 3.16Å; S126-K129 PolarHBondContact O-N 3.48Å; Q127-K129 VanDerWaalsContact C-N 3.28Å; Q127-K129 PolarHBondContact O-N 2.86Å; K129-N132 PolarHBondContact O-N 3.14Å; K129-H133 PolarHBondContact O-N 2.77Å
130	L	82.8	Confident	74.8	Confident	109 Å²	109	68 Å²	68	57%	0.571	35%	0.351	S	S	*	.	H	α-helix	trans	-64.2	-45.6	178.1	-74	169.2	0	0	0	111.4	S126 Q127 N132 H133 E134	S126-L130 WeakPolarHBondContact O-CG 3.1Å; S126-L130 PolarHBondContact O-N 2.99Å; Q127-L130 PolarHBondContact O-N 3.2Å; Q127-L130 VanDerWaalsContact O-N 3.15Å; L130-N132 VanDerWaalsContact C-N 3.29Å; L130-N132 PolarHBondContact O-N 2.86Å; L130-H133 WeakPolarHBondContact O-CA 3.25Å; L130-H133 WeakPolarHBondContact O-CB 3.31Å; L130-H133 PolarHBondContact O-N 3.35Å; L130-E134 PolarHBondContact O-N 3.34Å
131	M	75	Confident	72.9	Confident	21 Å²	21	73.7 Å²	73.7	10%	0.103	37%	0.374	C	S	.	.	H	α-helix	trans	-58.6	-40.4	176.7	-68.7	170.5	73.4	0	0	112.2	Q127 H133 N135 N152 L155 K156	Q127-M131 WeakPolarHBondContact O-CG 3.38Å; Q127-M131 PolarHBondContact O-N 3.05Å; M131-H133 PolarHBondContact O-N 3.33Å; M131-N135 PolarHBondContact O-N 2.93Å; M131-N135 PolarHBondContact O-ND2 3.06Å; M131-N152 HydrophobicContact CE-CB 3.86Å; M131-N152 WeakPolarHBondContact CE-O 3.41Å; M131-N152 WeakPolarHBondContact CE-OD1 3.25Å; M131-L155 HydrophobicContact CE-CB 3.59Å; M131-L155 HydrophobicContact CE-CD1 4.19Å; M131-L155 HydrophobicContact SD-CB 4.46Å; M131-K156 HydrophobicContact CE-CG 4.23Å
132	N	74.8	Confident	71	Confident	46 Å²	46	81.7 Å²	81.7	25%	0.246	41%	0.411	C	S	.	.	H	α-helix	trans	-68.3	-24	175.6	-73.4	-16.3	0	0	0	113	L128 K129 L130 K156	L128-N132 PolarHBondContact O-N 2.9Å; L128-N132 PolarHBondContact O-ND2 3.16Å; K129-N132 PolarHBondContact O-N 3.14Å; L130-N132 VanDerWaalsContact C-N 3.29Å; L130-N132 PolarHBondContact O-N 2.86Å; N132-K156 WeakPolarHBondContact OD1-CE 3.36Å; N132-K156 PolarHBondContact OD1-NZ 3.32Å
133	H	72.2	Confident	69.2	Low	105 Å²	105	87.8 Å²	87.8	49%	0.486	43%	0.43	S	S	.	.	H	α-helix	trans	-85.5	-41.4	178.8	-155.1	-69.9	0	0	0	112.4	K129 L130 M131 N135 K136 E137	K129-H133 PolarHBondContact O-N 2.77Å; L130-H133 WeakPolarHBondContact O-CA 3.25Å; L130-H133 WeakPolarHBondContact O-CB 3.31Å; L130-H133 PolarHBondContact O-N 3.35Å; M131-H133 PolarHBondContact O-N 3.33Å; H133-N135 VanDerWaalsContact C-N 3.28Å; H133-N135 PolarHBondContact O-N 3.21Å; H133-K136 WeakPolarHBondContact O-CB 3.36Å; H133-K136 PolarHBondContact O-N 3.43Å; H133-E137 IonicContact CE1-OE1 3.69Å; H133-E137 PolarHBondContact CE1-OE1 2.88Å; H133-E137 VanDerWaalsContact CE1-OE1 3.24Å; H133-E137 IonicContact ND1-OE1 2.79Å; H133-E137 PolarHBondContact O-N 3.48Å
134	E	64.9	Low	68	Low	97 Å²	97	91.2 Å²	91.2	45%	0.453	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-34.5	178.5	-72.7	-176.4	166.7	0	0	112.5	L130 K136 E137 N138	L130-E134 PolarHBondContact O-N 3.34Å; E134-K136 PolarHBondContact O-N 2.93Å; E134-E137 PolarHBondContact O-N 3.15Å; E134-N138 PolarHBondContact O-N 2.92Å; E134-N138 VanDerWaalsContact O-N 3.14Å
135	N	58.5	Low	67.2	Low	16 Å²	16	98.7 Å²	98.7	9%	0.086	47%	0.473	C	S	.	.	H	α-helix	trans	-59.7	-24.6	172.4	-79	-19.4	0	0	0	113.3	Y6 M131 H133 N152	Y6-N135 HydrophobicContact CD1-CB 3.92Å; Y6-N135 HydrophobicContact CD2-CB 4.3Å; Y6-N135 HydrophobicContact CE1-CB 3.7Å; Y6-N135 HydrophobicContact CE2-CB 4.13Å; Y6-N135 HydrophobicContact CG-CB 4.23Å; Y6-N135 PolarHBondContact OH-O 2.95Å; M131-N135 PolarHBondContact O-N 2.93Å; M131-N135 PolarHBondContact O-ND2 3.06Å; H133-N135 VanDerWaalsContact C-N 3.28Å; H133-N135 PolarHBondContact O-N 3.21Å; N135-N152 PolarHBondContact OD1-ND2 2.82Å
136	K	56	Low	66.5	Low	95 Å²	95	100.4 Å²	100.4	41%	0.413	48%	0.483	S	S	.	.	H	α-helix	trans	-83.1	-32.3	176.8	-63	-173.5	-176.8	-163.9	0	113.3	D3 H133 E134	D3-K136 WeakPolarHBondContact OD1-CE 3.24Å; D3-K136 IonicContact OD1-NZ 3.75Å; D3-K136 PolarHBondContact OD1-NZ 2.76Å; D3-K136 IonicContact OD2-NZ 3.27Å; D3-K136 PolarHBondContact OD2-NZ 2.82Å; H133-K136 WeakPolarHBondContact O-CB 3.36Å; H133-K136 PolarHBondContact O-N 3.43Å; E134-K136 PolarHBondContact O-N 2.93Å
137	E	52.3	Low	65.9	Low	132 Å²	132	102.3 Å²	102.3	62%	0.617	49%	0.487	S	S	*	.	H	α-helix	trans	-90.4	-28.4	-172	-68.1	-172.2	170.9	0	0	113.2	H133 E134 N139	H133-E137 IonicContact CE1-OE1 3.69Å; H133-E137 PolarHBondContact CE1-OE1 2.88Å; H133-E137 VanDerWaalsContact CE1-OE1 3.24Å; H133-E137 IonicContact ND1-OE1 2.79Å; H133-E137 PolarHBondContact O-N 3.48Å; E134-E137 PolarHBondContact O-N 3.15Å; E137-N139 VanDerWaalsContact C-N 3.3Å; E137-N139 PolarHBondContact O-N 2.86Å
138	N	48.7	Very low	65.3	Low	91 Å²	91	103.7 Å²	103.7	49%	0.487	49%	0.494	S	S	.	.			trans	-84	12.6	-173.7	-80.4	-30.8	0	0	0	115.9	E134 S140	E134-N138 PolarHBondContact O-N 2.92Å; E134-N138 VanDerWaalsContact O-N 3.14Å; N138-S140 PolarHBondContact O-N 3.3Å
139	N	50.9	Low	65	Low	108 Å²	108	103.6 Å²	103.6	58%	0.578	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	4.5	173.4	-85.9	-14.8	0	0	0	115.2	D2 E137	D2-N139 PolarHBondContact OD2-ND2 3.23Å; E137-N139 VanDerWaalsContact C-N 3.3Å; E137-N139 PolarHBondContact O-N 2.86Å
140	S	51.1	Low	64.7	Low	100 Å²	100	99.8 Å²	99.8	70%	0.699	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-2.6	-173.8	60.6	0	0	0	0	116.1	N138	N138-S140 PolarHBondContact O-N 3.3Å
141	K	50.7	Low	64.5	Low	159 Å²	159	99.8 Å²	99.8	69%	0.691	47%	0.473	S	S	*	.			trans	-109.4	96.8	177	-69.6	-179.5	-177.1	170	0	110.6
142	E	50.4	Low	64.8	Low	168 Å²	168	99.3 Å²	99.3	79%	0.785	47%	0.471	S	S	*	.			trans	-53.7	138.5	162.2	-78.1	179.7	145.9	0	0	108.6
143	Y	53.6	Low	65	Low	215 Å²	215	99.4 Å²	99.4	84%	0.843	47%	0.468	S	S	*	.	S	Bend	trans	88.3	89.9	-175.9	-49.7	-75.5	0	0	0	114.9
144	D	65.9	Low	65.6	Low	103 Å²	103	99.2 Å²	99.2	55%	0.551	47%	0.47	S	S	*	.			trans	110.2	27.6	154.9	-137.1	21.3	0	0	0	119.5	I146 M147 E148	D144-I146 VanDerWaalsContact C-N 3.29Å; D144-I146 PolarHBondContact O-N 2.61Å; D144-M147 VanDerWaalsContact CG-CG 3.49Å; D144-M147 PolarHBondContact O-N 3.37Å; D144-M147 WeakPolarHBondContact OD1-CB 3.41Å; D144-M147 WeakPolarHBondContact OD1-CG 3.42Å; D144-M147 WeakPolarHBondContact OD2-CB 3.4Å; D144-M147 WeakPolarHBondContact OD2-CG 3.35Å; D144-E148 PolarHBondContact O-N 3.21Å
145	W	71.6	Confident	66.5	Low	162 Å²	162	98.2 Å²	98.2	61%	0.614	47%	0.467	S	S	*	.	H	α-helix	trans	-63.4	-28.4	173.3	70.2	-92.9	0	0	0	114.3	E148 Y149	W145-E148 PolarHBondContact O-N 2.98Å; W145-Y149 VanDerWaalsContact O-CB 3.32Å; W145-Y149 WeakPolarHBondContact O-CB 3.11Å; W145-Y149 PolarHBondContact O-N 2.76Å
146	I	75.2	Confident	67.7	Low	93 Å²	93	98.9 Å²	98.9	48%	0.477	47%	0.469	S	S	.	.	H	α-helix	trans	-67.4	-47.7	179.4	-61.6	175.5	0	0	0	110	D144 E148 Y149 D150	D144-I146 VanDerWaalsContact C-N 3.29Å; D144-I146 PolarHBondContact O-N 2.61Å; I146-E148 VanDerWaalsContact C-N 3.28Å; I146-E148 PolarHBondContact O-N 2.8Å; I146-Y149 PolarHBondContact O-N 3.34Å; I146-D150 PolarHBondContact O-N 2.79Å
147	M	74.4	Confident	69	Low	95 Å²	95	98.9 Å²	98.9	47%	0.468	47%	0.471	S	S	.	.	H	α-helix	trans	-63.9	-35.8	177.1	-70	-67	-66.4	0	0	111.6	D144 K151	D144-M147 VanDerWaalsContact CG-CG 3.49Å; D144-M147 PolarHBondContact O-N 3.37Å; D144-M147 WeakPolarHBondContact OD1-CB 3.41Å; D144-M147 WeakPolarHBondContact OD1-CG 3.42Å; D144-M147 WeakPolarHBondContact OD2-CB 3.4Å; D144-M147 WeakPolarHBondContact OD2-CG 3.35Å; M147-K151 WeakPolarHBondContact O-CB 3.41Å; M147-K151 VanDerWaalsContact O-CG 3.24Å; M147-K151 WeakPolarHBondContact O-CG 3.42Å; M147-K151 PolarHBondContact O-N 3.22Å
148	E	73.3	Confident	70.5	Confident	76 Å²	76	98.6 Å²	98.6	36%	0.355	47%	0.469	S	S	.	.	H	α-helix	trans	-69.5	-41.1	176.1	-164.7	58.8	-156.3	0	0	112.1	D144 W145 I146 K151 N152	D144-E148 PolarHBondContact O-N 3.21Å; W145-E148 PolarHBondContact O-N 2.98Å; I146-E148 VanDerWaalsContact C-N 3.28Å; I146-E148 PolarHBondContact O-N 2.8Å; E148-K151 PolarHBondContact O-N 3.23Å; E148-N152 WeakPolarHBondContact O-CB 3.49Å; E148-N152 PolarHBondContact O-N 2.81Å; E148-N152 PolarHBondContact O-ND2 3.33Å
149	Y	78.9	Confident	72.3	Confident	37 Å²	37	94.9 Å²	94.9	15%	0.145	45%	0.45	C	S	.	.	H	α-helix	trans	-61.1	-47.1	173.2	178.2	-94.5	0	0	0	111.6	Y6 D12 W145 I146 K151 N152 R153	Y6-Y149 HydrophobicContact CD1-CD2 4.25Å; Y6-Y149 HydrophobicContact CD1-CE2 4.27Å; Y6-Y149 HydrophobicContact CE1-CD2 4.13Å; D12-Y149 PolarHBondContact OD1-OH 2.82Å; W145-Y149 VanDerWaalsContact O-CB 3.32Å; W145-Y149 WeakPolarHBondContact O-CB 3.11Å; W145-Y149 PolarHBondContact O-N 2.76Å; I146-Y149 PolarHBondContact O-N 3.34Å; Y149-K151 PolarHBondContact O-N 2.92Å; Y149-N152 PolarHBondContact O-N 3.21Å; Y149-R153 WeakPolarHBondContact O-CB 3.23Å; Y149-R153 PolarHBondContact O-N 3.44Å
150	D	77.9	Confident	74	Confident	68 Å²	68	94.7 Å²	94.7	36%	0.364	45%	0.445	S	S	.	.	H	α-helix	trans	-62.9	-41.1	177.9	-82.9	-19.5	0	0	0	112	I146 R153 L154	I146-D150 PolarHBondContact O-N 2.79Å; D150-R153 PolarHBondContact O-N 2.77Å; D150-L154 WeakPolarHBondContact O-CB 3.36Å; D150-L154 VanDerWaalsContact O-CG 3.31Å; D150-L154 WeakPolarHBondContact O-CG 3.18Å; D150-L154 PolarHBondContact O-N 2.98Å
151	K	78.6	Confident	75.8	Confident	109 Å²	109	93 Å²	93	47%	0.474	43%	0.431	S	S	.	.	H	α-helix	trans	-59.9	-47.2	172.5	-77.8	173.9	-173.7	172.2	0	111.7	M147 E148 Y149 R153 L154 L155	M147-K151 WeakPolarHBondContact O-CB 3.41Å; M147-K151 VanDerWaalsContact O-CG 3.24Å; M147-K151 WeakPolarHBondContact O-CG 3.42Å; M147-K151 PolarHBondContact O-N 3.22Å; E148-K151 PolarHBondContact O-N 3.23Å; Y149-K151 PolarHBondContact O-N 2.92Å; K151-R153 VanDerWaalsContact C-N 3.35Å; K151-R153 PolarHBondContact O-N 2.89Å; K151-L154 PolarHBondContact O-N 2.85Å; K151-L155 WeakPolarHBondContact O-CB 3.11Å; K151-L155 PolarHBondContact O-N 2.87Å
152	N	80.3	Confident	77.5	Confident	10 Å²	10	90 Å²	90	5%	0.053	42%	0.42	C	S	.	.	H	α-helix	trans	-64.5	-39.6	179.8	-79.1	-26.1	0	0	0	112.1	M131 N135 E148 Y149 L155 K156	M131-N152 HydrophobicContact CE-CB 3.86Å; M131-N152 WeakPolarHBondContact CE-O 3.41Å; M131-N152 WeakPolarHBondContact CE-OD1 3.25Å; N135-N152 PolarHBondContact OD1-ND2 2.82Å; E148-N152 WeakPolarHBondContact O-CB 3.49Å; E148-N152 PolarHBondContact O-N 2.81Å; E148-N152 PolarHBondContact O-ND2 3.33Å; Y149-N152 PolarHBondContact O-N 3.21Å; N152-L155 PolarHBondContact O-N 2.91Å; N152-K156 WeakPolarHBondContact O-CB 3.44Å; N152-K156 WeakPolarHBondContact O-CG 3.43Å; N152-K156 PolarHBondContact O-N 3.2Å
153	R	80.8	Confident	79.4	Confident	48 Å²	48	82.9 Å²	82.9	18%	0.181	39%	0.387	C	S	.	.	H	α-helix	trans	-62.6	-47.4	175.1	-172.9	-177.6	-177.8	-142	-4.1	111.6	D12 Y149 D150 K151 L155 K156 Q157	D12-R153 PolarHBondContact O-NH2 3.08Å; D12-R153 WeakPolarHBondContact OD1-CD 3.4Å; D12-R153 IonicContact OD1-CZ 3.72Å; D12-R153 IonicContact OD1-NE 3.01Å; D12-R153 PolarHBondContact OD1-NE 3.05Å; D12-R153 IonicContact OD1-NH2 3.51Å; Y149-R153 WeakPolarHBondContact O-CB 3.23Å; Y149-R153 PolarHBondContact O-N 3.44Å; D150-R153 PolarHBondContact O-N 2.77Å; K151-R153 VanDerWaalsContact C-N 3.35Å; K151-R153 PolarHBondContact O-N 2.89Å; R153-L155 PolarHBondContact O-N 3.26Å; R153-K156 PolarHBondContact O-N 3.23Å; R153-Q157 WeakPolarHBondContact O-CG 3.49Å; R153-Q157 PolarHBondContact O-N 3.12Å
154	L	83.8	Confident	81.1	Confident	102 Å²	102	78.6 Å²	78.6	53%	0.534	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-40.2	176.8	-72.6	171.9	0	0	0	112.3	D150 K151 Q157 Q158	D150-L154 WeakPolarHBondContact O-CB 3.36Å; D150-L154 VanDerWaalsContact O-CG 3.31Å; D150-L154 WeakPolarHBondContact O-CG 3.18Å; D150-L154 PolarHBondContact O-N 2.98Å; K151-L154 PolarHBondContact O-N 2.85Å; L154-Q157 PolarHBondContact O-N 3.33Å; L154-Q158 WeakPolarHBondContact O-CG 3.4Å; L154-Q158 PolarHBondContact O-N 3.39Å
155	L	83	Confident	82.2	Confident	75 Å²	75	78.8 Å²	78.8	39%	0.393	38%	0.376	S	S	.	.	H	α-helix	trans	-65	-45.5	175.1	-85.7	158.7	0	0	0	112.1	M131 K151 N152 R153 Q157 Q158 I159	M131-L155 HydrophobicContact CE-CB 3.59Å; M131-L155 HydrophobicContact CE-CD1 4.19Å; M131-L155 HydrophobicContact SD-CB 4.46Å; K151-L155 WeakPolarHBondContact O-CB 3.11Å; K151-L155 PolarHBondContact O-N 2.87Å; N152-L155 PolarHBondContact O-N 2.91Å; R153-L155 PolarHBondContact O-N 3.26Å; L155-Q157 VanDerWaalsContact C-N 3.33Å; L155-Q157 PolarHBondContact O-N 3.22Å; L155-Q158 PolarHBondContact O-N 2.94Å; L155-Q158 VanDerWaalsContact O-N 3.11Å; L155-I159 HydrophobicContact CD2-CD1 4.48Å; L155-I159 WeakPolarHBondContact O-CG1 3.45Å; L155-I159 PolarHBondContact O-N 3.36Å
156	K	84.9	Confident	83.1	Confident	30 Å²	30	71.9 Å²	71.9	13%	0.13	35%	0.351	C	S	.	.	H	α-helix	trans	-57.8	-45.5	175	-78.4	-177.3	178.2	-173.8	0	111.5	M131 N132 N152 R153 Q158 I159 E160	M131-K156 HydrophobicContact CE-CG 4.23Å; N132-K156 WeakPolarHBondContact OD1-CE 3.36Å; N132-K156 PolarHBondContact OD1-NZ 3.32Å; N152-K156 WeakPolarHBondContact O-CB 3.44Å; N152-K156 WeakPolarHBondContact O-CG 3.43Å; N152-K156 PolarHBondContact O-N 3.2Å; R153-K156 PolarHBondContact O-N 3.23Å; K156-Q158 PolarHBondContact O-N 2.7Å; K156-I159 PolarHBondContact O-N 3.41Å; K156-I159 VanDerWaalsContact O-N 3.12Å; K156-E160 WeakPolarHBondContact O-CB 3.42Å; K156-E160 WeakPolarHBondContact O-CG 3.34Å; K156-E160 PolarHBondContact O-N 2.86Å
157	Q	83.1	Confident	83.8	Confident	95 Å²	95	71 Å²	71	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-58.6	-29.4	176.6	-75.9	178.3	-0.5	0	0	113.6	R153 L154 L155 P161	R153-Q157 WeakPolarHBondContact O-CG 3.49Å; R153-Q157 PolarHBondContact O-N 3.12Å; L154-Q157 PolarHBondContact O-N 3.33Å; L155-Q157 VanDerWaalsContact C-N 3.33Å; L155-Q157 PolarHBondContact O-N 3.22Å; Q157-P161 WeakPolarHBondContact O-CD 3.27Å
158	Q	83.3	Confident	84.6	Confident	126 Å²	126	69.6 Å²	69.6	59%	0.589	34%	0.34	S	S	*	.	H	α-helix	trans	-83.2	-33.3	176.4	-70	179.2	-1.9	0	0	113.2	L154 L155 K156	L154-Q158 WeakPolarHBondContact O-CG 3.4Å; L154-Q158 PolarHBondContact O-N 3.39Å; L155-Q158 PolarHBondContact O-N 2.94Å; L155-Q158 VanDerWaalsContact O-N 3.11Å; K156-Q158 PolarHBondContact O-N 2.7Å
159	I	86.9	Confident	85.5	Confident	14 Å²	14	66.5 Å²	66.5	7%	0.072	33%	0.326	C	S	.	.	H	α-helix	trans	-89.3	-41.7	-171.2	-67.8	169.8	0	0	0	112.3	L124 L155 K156 Q162 I163	L124-I159 HydrophobicContact CB-CG2 4.08Å; L124-I159 HydrophobicContact CD2-CG1 4.35Å; L124-I159 HydrophobicContact CD2-CG2 4.07Å; L124-I159 HydrophobicContact CG-CG2 4.48Å; L155-I159 HydrophobicContact CD2-CD1 4.48Å; L155-I159 WeakPolarHBondContact O-CG1 3.45Å; L155-I159 PolarHBondContact O-N 3.36Å; K156-I159 PolarHBondContact O-N 3.41Å; K156-I159 VanDerWaalsContact O-N 3.12Å; I159-Q162 WeakPolarHBondContact O-CB 3.49Å; I159-Q162 PolarHBondContact O-N 3.08Å; I159-Q162 VanDerWaalsContact O-N 3.09Å; I159-I163 HydrophobicContact CG2-CD1 3.55Å; I159-I163 HydrophobicContact CG2-CG1 3.93Å; I159-I163 PolarHBondContact O-N 3.49Å
160	E	87.5	Confident	86.1	Confident	103 Å²	103	67.3 Å²	67.3	48%	0.481	33%	0.331	S	S	.	.	H	α-helix	trans	-52.1	-49	-177.4	-75.4	178.1	178.3	0	0	114.4	L128 K156 Q162 I163 E164	L128-E160 HydrophobicContact CD1-CG 4.11Å; K156-E160 WeakPolarHBondContact O-CB 3.42Å; K156-E160 WeakPolarHBondContact O-CG 3.34Å; K156-E160 PolarHBondContact O-N 2.86Å; E160-Q162 VanDerWaalsContact C-N 3.29Å; E160-Q162 PolarHBondContact O-N 3.35Å; E160-I163 PolarHBondContact O-N 2.79Å; E160-E164 PolarHBondContact O-N 3.43Å
161	P	87.7	Confident	86.9	Confident	64 Å²	64	67.3 Å²	67.3	42%	0.416	34%	0.336	S	S	.	.	H	α-helix	trans	-64	-34.3	178.1	23.7	-33.8	0	0	0	112.7	Q157 E164 D165	Q157-P161 WeakPolarHBondContact O-CD 3.27Å; P161-E164 PolarHBondContact O-N 2.92Å; P161-D165 PolarHBondContact O-N 2.81Å; P161-D165 VanDerWaalsContact O-N 3.1Å
162	Q	87.6	Confident	87.5	Confident	96 Å²	96	63.4 Å²	63.4	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-38.7	176.3	-60.7	-176.4	14.2	0	0	111.6	L124 I159 E160 E164 L166	L124-Q162 HydrophobicContact CD1-CB 4.14Å; I159-Q162 WeakPolarHBondContact O-CB 3.49Å; I159-Q162 PolarHBondContact O-N 3.08Å; I159-Q162 VanDerWaalsContact O-N 3.09Å; E160-Q162 VanDerWaalsContact C-N 3.29Å; E160-Q162 PolarHBondContact O-N 3.35Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; Q162-L166 WeakPolarHBondContact O-CB 3.36Å; Q162-L166 WeakPolarHBondContact O-CD1 3.5Å; Q162-L166 WeakPolarHBondContact O-CG 3.37Å; Q162-L166 PolarHBondContact O-N 3.12Å
163	I	89.4	Confident	88.2	Confident	19 Å²	19	63.8 Å²	63.8	10%	0.097	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-42.3	175.6	-68.9	176.6	0	0	0	110.3	L121 L124 Q125 L128 I159 E160 L166 L167	L121-I163 HydrophobicContact CD1-CG2 4Å; L124-I163 HydrophobicContact CB-CD1 4.05Å; L124-I163 HydrophobicContact CB-CG1 3.84Å; L124-I163 HydrophobicContact CD1-CG1 4.35Å; Q125-I163 HydrophobicContact CG-CD1 4.35Å; Q125-I163 HydrophobicContact CG-CG2 4.34Å; L128-I163 HydrophobicContact CD1-CD1 3.97Å; I159-I163 HydrophobicContact CG2-CD1 3.55Å; I159-I163 HydrophobicContact CG2-CG1 3.93Å; I159-I163 PolarHBondContact O-N 3.49Å; E160-I163 PolarHBondContact O-N 2.79Å; I163-L166 PolarHBondContact O-N 2.79Å; I163-L167 HydrophobicContact CG2-CD1 3.9Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 3.44Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.29Å; I163-L167 PolarHBondContact O-N 3.02Å
164	E	88.7	Confident	88.8	Confident	126 Å²	126	65.6 Å²	65.6	59%	0.589	33%	0.333	S	S	*	.	H	α-helix	trans	-60.5	-49.4	178.2	-171.3	176.1	-177.8	0	0	111.8	E160 P161 Q162 L166 L167 I168	E160-E164 PolarHBondContact O-N 3.43Å; P161-E164 PolarHBondContact O-N 2.92Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.02Å; E164-L167 PolarHBondContact O-N 3.36Å; E164-I168 WeakPolarHBondContact O-CG1 3.36Å; E164-I168 PolarHBondContact O-N 3.37Å; E164-I168 VanDerWaalsContact O-N 3.09Å
165	D	88.8	Confident	89.1	Confident	107 Å²	107	64 Å²	64	57%	0.572	32%	0.324	S	S	*	.	H	α-helix	trans	-59.2	-42.7	176.8	-75.6	-20.7	0	0	0	111.9	P161 I168 Y169	P161-D165 PolarHBondContact O-N 2.81Å; P161-D165 VanDerWaalsContact O-N 3.1Å; D165-I168 PolarHBondContact O-N 2.82Å; D165-Y169 WeakPolarHBondContact O-CB 3.44Å; D165-Y169 PolarHBondContact O-N 2.91Å
166	L	90.3	Very high	89.5	Confident	16 Å²	16	60.6 Å²	60.6	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-70.3	-30.6	178.9	-72.1	172.5	0	0	0	113.1	Q117 L120 L121 L124 Q162 I163 E164 Y169 Q170	Q117-L166 HydrophobicContact CB-CD2 3.93Å; Q117-L166 HydrophobicContact CG-CD2 4.4Å; Q117-L166 VanDerWaalsContact OE1-CD2 3.3Å; L120-L166 HydrophobicContact CD2-CD1 4.11Å; L120-L166 HydrophobicContact CG-CD1 4.03Å; L121-L166 HydrophobicContact CB-CB 4.04Å; L121-L166 HydrophobicContact CB-CD1 4.08Å; L121-L166 HydrophobicContact CD1-CB 3.77Å; L121-L166 HydrophobicContact CD2-CB 4.37Å; L121-L166 HydrophobicContact CG-CB 4.26Å; L124-L166 HydrophobicContact CD1-CD1 3.97Å; Q162-L166 WeakPolarHBondContact O-CB 3.36Å; Q162-L166 WeakPolarHBondContact O-CD1 3.5Å; Q162-L166 WeakPolarHBondContact O-CG 3.37Å; Q162-L166 PolarHBondContact O-N 3.12Å; I163-L166 PolarHBondContact O-N 2.79Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.02Å; L166-Y169 WeakPolarHBondContact O-CB 3.33Å; L166-Y169 PolarHBondContact O-N 3.43Å; L166-Q170 WeakPolarHBondContact O-CB 3.09Å; L166-Q170 PolarHBondContact O-N 2.9Å
167	L	91.8	Very high	89.8	Confident	76 Å²	76	65.4 Å²	65.4	40%	0.398	33%	0.33	S	S	.	.	H	α-helix	trans	-67.4	-42.3	172.6	-77.4	169.9	0	0	0	111.3	L121 I163 E164 Y169 Q170 S171	L121-L167 HydrophobicContact CD1-CD2 4.4Å; L121-L167 HydrophobicContact CD1-CG 4.22Å; L121-L167 HydrophobicContact CD2-CD2 4.21Å; I163-L167 HydrophobicContact CG2-CD1 3.9Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 3.44Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.29Å; I163-L167 PolarHBondContact O-N 3.02Å; E164-L167 PolarHBondContact O-N 3.36Å; L167-Y169 VanDerWaalsContact C-N 3.32Å; L167-Q170 PolarHBondContact O-N 2.75Å; L167-S171 WeakPolarHBondContact O-CB 3.25Å; L167-S171 PolarHBondContact O-N 2.84Å
168	I	90.3	Very high	90.2	Very high	64 Å²	64	67.4 Å²	67.4	33%	0.328	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-45.3	172.9	-64.9	168.5	0	0	0	109.6	E164 D165 Q170 S171 N172	E164-I168 WeakPolarHBondContact O-CG1 3.36Å; E164-I168 PolarHBondContact O-N 3.37Å; E164-I168 VanDerWaalsContact O-N 3.09Å; D165-I168 PolarHBondContact O-N 2.82Å; I168-Q170 PolarHBondContact O-N 3.17Å; I168-S171 PolarHBondContact O-N 2.88Å; I168-N172 WeakPolarHBondContact CG2-ND2 3.39Å; I168-N172 PolarHBondContact O-N 3.33Å; I168-N172 PolarHBondContact O-ND2 3.08Å
169	Y	91.8	Very high	90.4	Very high	11 Å²	11	62.1 Å²	62.1	4%	0.043	31%	0.312	C	S	.	.	H	α-helix	trans	-55.2	-51.4	176.1	-163.3	-89.1	0	0	0	111.9	N114 Q117 D165 L166 L167 S171 N172 L173 G271 L272	N114-Y169 HydrophobicContact CB-CE1 4.48Å; N114-Y169 PolarHBondContact OD1-OH 2.81Å; Q117-Y169 HydrophobicContact CB-CD1 4.13Å; Q117-Y169 HydrophobicContact CB-CE1 3.97Å; Q117-Y169 HydrophobicContact CG-CE1 4.05Å; D165-Y169 WeakPolarHBondContact O-CB 3.44Å; D165-Y169 PolarHBondContact O-N 2.91Å; L166-Y169 WeakPolarHBondContact O-CB 3.33Å; L166-Y169 PolarHBondContact O-N 3.43Å; L167-Y169 VanDerWaalsContact C-N 3.32Å; Y169-S171 PolarHBondContact O-N 2.92Å; Y169-N172 PolarHBondContact O-N 3.32Å; Y169-L173 HydrophobicContact CD1-CD1 3.8Å; Y169-L173 HydrophobicContact CD1-CG 4.15Å; Y169-L173 HydrophobicContact CE1-CD1 3.67Å; Y169-L173 HydrophobicContact CE1-CD2 4.41Å; Y169-L173 HydrophobicContact CE1-CG 4.1Å; Y169-L173 WeakPolarHBondContact O-CG 3.25Å; Y169-L173 PolarHBondContact O-N 3.26Å; Y169-G271 WeakPolarHBondContact CD2-O 3.19Å; Y169-G271 WeakPolarHBondContact CE2-O 3.25Å; Y169-L272 HydrophobicContact CD1-CD2 4.35Å; Y169-L272 HydrophobicContact CD2-CD2 3.92Å; Y169-L272 HydrophobicContact CE1-CD2 4.29Å; Y169-L272 HydrophobicContact CE2-CD2 3.87Å; Y169-L272 HydrophobicContact CG-CD2 4.16Å
170	Q	92.9	Very high	90.5	Very high	54 Å²	54	61.9 Å²	61.9	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-44.2	179.8	-172.6	-175	22.9	0	0	112.1	L121 L166 L167 I168 N172 L173 Q174	L121-Q170 HydrophobicContact CD2-CB 4.25Å; L121-Q170 VanDerWaalsContact CD2-OE1 3.31Å; L166-Q170 WeakPolarHBondContact O-CB 3.09Å; L166-Q170 PolarHBondContact O-N 2.9Å; L167-Q170 PolarHBondContact O-N 2.75Å; I168-Q170 PolarHBondContact O-N 3.17Å; Q170-N172 VanDerWaalsContact C-N 3.3Å; Q170-N172 PolarHBondContact O-N 2.89Å; Q170-L173 PolarHBondContact O-N 3.4Å; Q170-Q174 WeakPolarHBondContact O-CG 3.4Å; Q170-Q174 PolarHBondContact O-N 3.28Å
171	S	93	Very high	90.4	Very high	69 Å²	69	60 Å²	60	48%	0.483	31%	0.309	S	S	.	.	H	α-helix	trans	-58.2	-42.9	177.6	-178.4	0	0	0	0	111.8	L167 I168 Y169 Q174 L175	L167-S171 WeakPolarHBondContact O-CB 3.25Å; L167-S171 PolarHBondContact O-N 2.84Å; I168-S171 PolarHBondContact O-N 2.88Å; Y169-S171 PolarHBondContact O-N 2.92Å; S171-Q174 PolarHBondContact O-N 3.2Å; S171-L175 PolarHBondContact O-N 3.25Å; S171-L175 VanDerWaalsContact O-N 3.09Å
172	N	92.5	Very high	89.9	Confident	27 Å²	27	59.7 Å²	59.7	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-69	-36.4	177.8	-70	-48.7	0	0	0	112.8	I168 Y169 Q170 L175 I176 N270 L272 L430	I168-N172 WeakPolarHBondContact CG2-ND2 3.39Å; I168-N172 PolarHBondContact O-N 3.33Å; I168-N172 PolarHBondContact O-ND2 3.08Å; Y169-N172 PolarHBondContact O-N 3.32Å; Q170-N172 VanDerWaalsContact C-N 3.3Å; Q170-N172 PolarHBondContact O-N 2.89Å; N172-L175 WeakPolarHBondContact O-CB 3.08Å; N172-L175 PolarHBondContact O-N 3.35Å; N172-I176 WeakPolarHBondContact O-CG1 3.5Å; N172-I176 PolarHBondContact O-N 2.86Å; N172-N270 WeakPolarHBondContact ND2-CB 3.41Å; N172-N270 PolarHBondContact ND2-O 2.87Å; N172-L272 HydrophobicContact CB-CD1 3.8Å; N172-L272 HydrophobicContact CB-CD2 4.03Å; N172-L272 HydrophobicContact CB-CG 3.91Å; N172-L430 HydrophobicContact CB-CD2 4.38Å
173	L	93.6	Very high	88.8	Confident	17 Å²	17	56.7 Å²	56.7	9%	0.089	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-43.3	172.4	-70.8	-179	0	0	0	112	N114 I118 Y169 Q170 L175 I176 E177 L272	N114-L173 HydrophobicContact CB-CD1 4.02Å; N114-L173 HydrophobicContact CB-CD2 4.48Å; I118-L173 HydrophobicContact CD1-CD1 4Å; I118-L173 HydrophobicContact CG1-CD1 4.36Å; Y169-L173 HydrophobicContact CD1-CD1 3.8Å; Y169-L173 HydrophobicContact CD1-CG 4.15Å; Y169-L173 HydrophobicContact CE1-CD1 3.67Å; Y169-L173 HydrophobicContact CE1-CD2 4.41Å; Y169-L173 HydrophobicContact CE1-CG 4.1Å; Y169-L173 WeakPolarHBondContact O-CG 3.25Å; Y169-L173 PolarHBondContact O-N 3.26Å; Q170-L173 PolarHBondContact O-N 3.4Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 PolarHBondContact O-N 2.75Å; L173-I176 WeakPolarHBondContact O-CB 3.48Å; L173-I176 PolarHBondContact O-N 3.45Å; L173-I176 VanDerWaalsContact O-N 3.16Å; L173-E177 PolarHBondContact O-N 3.4Å; L173-L272 HydrophobicContact CD2-CD2 3.99Å; L173-L272 HydrophobicContact CG-CD2 4.19Å
174	Q	93.1	Very high	87	Confident	86 Å²	86	60.5 Å²	60.5	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-35.6	175.7	-69	177.1	1.5	0	0	112.1	Q170 S171 E177 K178	Q170-Q174 WeakPolarHBondContact O-CG 3.4Å; Q170-Q174 PolarHBondContact O-N 3.28Å; S171-Q174 PolarHBondContact O-N 3.2Å; Q174-E177 PolarHBondContact O-N 2.77Å; Q174-K178 VanDerWaalsContact O-CG 3.27Å; Q174-K178 WeakPolarHBondContact O-CG 3.43Å; Q174-K178 PolarHBondContact O-N 3.15Å
175	L	91.1	Very high	84.7	Confident	68 Å²	68	59.4 Å²	59.4	36%	0.356	33%	0.328	S	S	.	.	H	α-helix	trans	-66	-42.8	175.3	-162.7	166.3	0	0	0	110.8	S171 N172 L173 E177 K178 I179 L430	S171-L175 PolarHBondContact O-N 3.25Å; S171-L175 VanDerWaalsContact O-N 3.09Å; N172-L175 WeakPolarHBondContact O-CB 3.08Å; N172-L175 PolarHBondContact O-N 3.35Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 PolarHBondContact O-N 2.75Å; L175-E177 PolarHBondContact O-N 3.26Å; L175-K178 WeakPolarHBondContact O-CB 3.29Å; L175-K178 PolarHBondContact O-N 2.9Å; L175-I179 HydrophobicContact CD2-CD1 3.36Å; L175-I179 HydrophobicContact CD2-CG1 3.93Å; L175-I179 WeakPolarHBondContact O-CG1 3.37Å; L175-I179 PolarHBondContact O-N 2.9Å; L175-L430 HydrophobicContact CD1-CD1 4.21Å; L175-L430 HydrophobicContact CD1-CD2 4.34Å; L175-L430 HydrophobicContact CD2-CD1 3.38Å; L175-L430 HydrophobicContact CD2-CD2 4.08Å; L175-L430 HydrophobicContact CD2-CG 4.33Å; L175-L430 HydrophobicContact CG-CD1 4.41Å
176	I	91.6	Very high	82.1	Confident	4 Å²	4	57 Å²	57	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-58.3	-47.3	173.8	-73.9	164.6	0	0	0	111.2	N172 L173 K178 I179 K180 L272 T303 L430 Q432	N172-I176 WeakPolarHBondContact O-CG1 3.5Å; N172-I176 PolarHBondContact O-N 2.86Å; L173-I176 WeakPolarHBondContact O-CB 3.48Å; L173-I176 PolarHBondContact O-N 3.45Å; L173-I176 VanDerWaalsContact O-N 3.16Å; I176-K178 VanDerWaalsContact C-N 3.34Å; I176-K178 PolarHBondContact O-N 2.86Å; I176-I179 PolarHBondContact O-N 3.35Å; I176-K180 PolarHBondContact O-N 3.49Å; I176-L272 HydrophobicContact CD1-CD1 3.59Å; I176-T303 HydrophobicContact CB-CG2 4.46Å; I176-T303 HydrophobicContact CG1-CG2 4.27Å; I176-T303 HydrophobicContact CG2-CG2 3.8Å; I176-L430 HydrophobicContact CG1-CD2 4.45Å; I176-Q432 HydrophobicContact CD1-CG 3.93Å
177	E	91.1	Very high	79.5	Confident	131 Å²	131	61.7 Å²	61.7	61%	0.612	35%	0.354	S	S	*	.	H	α-helix	trans	-60.9	-41.2	176.7	-73.4	-178	168.4	0	0	112.1	L173 Q174 L175 I179 K180 S181	L173-E177 PolarHBondContact O-N 3.4Å; Q174-E177 PolarHBondContact O-N 2.77Å; L175-E177 PolarHBondContact O-N 3.26Å; E177-I179 PolarHBondContact O-N 3.39Å; E177-K180 PolarHBondContact O-N 3.22Å; E177-S181 VanDerWaalsContact O-CB 3.26Å; E177-S181 WeakPolarHBondContact O-CB 3.28Å; E177-S181 PolarHBondContact O-N 3.27Å; E177-S181 PolarHBondContact O-OG 3.13Å
178	K	90.6	Very high	76.8	Confident	138 Å²	138	61.3 Å²	61.3	60%	0.6	36%	0.358	S	S	*	.	H	α-helix	trans	-61.4	-41.8	174.1	-74.2	168.9	-175.7	171.4	0	112	Q174 L175 I176 S181 S182	Q174-K178 VanDerWaalsContact O-CG 3.27Å; Q174-K178 WeakPolarHBondContact O-CG 3.43Å; Q174-K178 PolarHBondContact O-N 3.15Å; L175-K178 WeakPolarHBondContact O-CB 3.29Å; L175-K178 PolarHBondContact O-N 2.9Å; I176-K178 VanDerWaalsContact C-N 3.34Å; I176-K178 PolarHBondContact O-N 2.86Å; K178-S181 WeakPolarHBondContact CA-OG 3.36Å; K178-S181 PolarHBondContact O-OG 3.41Å; K178-S182 WeakPolarHBondContact O-CB 3.04Å; K178-S182 PolarHBondContact O-N 3.03Å; K178-S182 PolarHBondContact O-OG 3.34Å
179	I	88	Confident	74.1	Confident	14 Å²	14	63.7 Å²	63.7	7%	0.072	37%	0.371	C	S	.	.	H	α-helix	trans	-63.4	-48.4	176.8	-70.2	172.4	0	0	0	110.3	L175 I176 E177 S182 L367 I368 L430	L175-I179 HydrophobicContact CD2-CD1 3.36Å; L175-I179 HydrophobicContact CD2-CG1 3.93Å; L175-I179 WeakPolarHBondContact O-CG1 3.37Å; L175-I179 PolarHBondContact O-N 2.9Å; I176-I179 PolarHBondContact O-N 3.35Å; E177-I179 PolarHBondContact O-N 3.39Å; I179-S182 PolarHBondContact O-OG 2.85Å; I179-L367 HydrophobicContact CD1-CD1 3.91Å; I179-L367 HydrophobicContact CG2-CB 4.31Å; I179-I368 HydrophobicContact CG2-CG1 3.95Å; I179-L430 HydrophobicContact CD1-CD1 4.15Å
180	K	88.7	Confident	71	Confident	10 Å²	10	68.9 Å²	68.9	4%	0.043	41%	0.406	C	S	.	.	H	α-helix	trans	-68.8	-40.9	-179.2	-75.4	-71.9	-177.2	165.7	0	113	I176 E177 S183 F299 N300 V302 T303 I368	I176-K180 PolarHBondContact O-N 3.49Å; E177-K180 PolarHBondContact O-N 3.22Å; K180-S183 WeakPolarHBondContact O-CB 3.41Å; K180-S183 PolarHBondContact O-N 3.38Å; K180-S183 PolarHBondContact O-OG 2.72Å; K180-F299 PolarHBondContact NZ-O 3.08Å; K180-N300 WeakPolarHBondContact CB-O 3.46Å; K180-V302 VanDerWaalsContact CE-C 3.44Å; K180-V302 WeakPolarHBondContact CE-O 3.45Å; K180-V302 PolarHBondContact NZ-O 3.44Å; K180-T303 HydrophobicContact CG-CG2 4.4Å; K180-I368 PolarHBondContact NZ-O 3.24Å
181	S	85	Confident	68	Low	64 Å²	64	72.9 Å²	72.9	45%	0.448	42%	0.423	S	S	.	.	H	α-helix	trans	-69.5	-30.8	177.4	56.5	0	0	0	0	113.6	E177 K178 S183 T184 S185	E177-S181 VanDerWaalsContact O-CB 3.26Å; E177-S181 WeakPolarHBondContact O-CB 3.28Å; E177-S181 PolarHBondContact O-N 3.27Å; E177-S181 PolarHBondContact O-OG 3.13Å; K178-S181 WeakPolarHBondContact CA-OG 3.36Å; K178-S181 PolarHBondContact O-OG 3.41Å; S181-S183 PolarHBondContact O-N 3.2Å; S181-T184 PolarHBondContact O-N 2.89Å; S181-T184 PolarHBondContact O-OG1 2.97Å; S181-S185 PolarHBondContact O-OG 3.13Å
182	S	78.2	Confident	64.8	Low	57 Å²	57	79.3 Å²	79.3	40%	0.399	44%	0.442	S	S	.	.	H	α-helix	trans	-59.6	-28.9	173.4	71.1	0	0	0	0	112.1	K178 I179 S186	K178-S182 WeakPolarHBondContact O-CB 3.04Å; K178-S182 PolarHBondContact O-N 3.03Å; K178-S182 PolarHBondContact O-OG 3.34Å; I179-S182 PolarHBondContact O-OG 2.85Å; S182-S186 PolarHBondContact O-N 3.08Å; S182-S186 PolarHBondContact O-OG 3.17Å
183	S	64.2	Low	61.5	Low	32 Å²	32	86.6 Å²	86.6	22%	0.224	48%	0.475	C	S	.	.	H	α-helix	trans	-74.6	-31.7	179.1	76.9	0	0	0	0	114.4	K180 S181 S185 S186 S187	K180-S183 WeakPolarHBondContact O-CB 3.41Å; K180-S183 PolarHBondContact O-N 3.38Å; K180-S183 PolarHBondContact O-OG 2.72Å; S181-S183 PolarHBondContact O-N 3.2Å; S183-S185 VanDerWaalsContact C-N 3.34Å; S183-S185 PolarHBondContact O-N 3.4Å; S183-S186 CarbonylContact O-C 3.55Å; S183-S186 PolarHBondContact O-N 2.86Å; S183-S187 PolarHBondContact O-N 3.36Å
184	T	51.4	Low	58.3	Low	100 Å²	100	95 Å²	95	61%	0.613	51%	0.513	S	S	*	.	H	α-helix	trans	-74.3	-26.2	-176.5	49.2	0	0	0	0	113	S181	S181-T184 PolarHBondContact O-N 2.89Å; S181-T184 PolarHBondContact O-OG1 2.97Å
185	S	41	Very low	55	Low	102 Å²	102	96.1 Å²	96.1	71%	0.713	53%	0.526	S	S	*	.	H	α-helix	trans	-90.8	-14.4	174.4	38.9	0	0	0	0	113.1	S181 S183	S181-S185 PolarHBondContact O-OG 3.13Å; S183-S185 VanDerWaalsContact C-N 3.34Å; S183-S185 PolarHBondContact O-N 3.4Å
186	S	33.9	Very low	51.8	Low	56 Å²	56	99.4 Å²	99.4	39%	0.392	54%	0.544	S	S	.	.			trans	-129.6	37.8	-178.8	63.4	0	0	0	0	113.5	S182 S183 S188	S182-S186 PolarHBondContact O-N 3.08Å; S182-S186 PolarHBondContact O-OG 3.17Å; S183-S186 CarbonylContact O-C 3.55Å; S183-S186 PolarHBondContact O-N 2.86Å; S186-S188 CarbonylContact C-O 3.59Å; S186-S188 VanDerWaalsContact C-O 3.24Å; S186-S188 VanDerWaalsContact CA-O 3.25Å; S186-S188 WeakPolarHBondContact CA-O 3.28Å; S186-S188 CarbonylContact O-C 3.52Å; S186-S188 PolarHBondContact O-N 2.94Å; S186-S188 VanDerWaalsContact O-N 3.09Å
187	S	35.7	Very low	48.7	Very low	115 Å²	115	109 Å²	109	80%	0.804	59%	0.586	S	S	*	*	S	Bend	trans	-63.5	-5.7	163.4	57	0	0	0	0	112.5	S183	S183-S187 PolarHBondContact O-N 3.36Å
188	S	34.3	Very low	45.4	Very low	68 Å²	68	107.5 Å²	107.5	48%	0.476	59%	0.59	S	S	.	*	S	Bend	trans	-118.8	134.8	150.7	54.8	0	0	0	0	107.9	S186	S186-S188 CarbonylContact C-O 3.59Å; S186-S188 VanDerWaalsContact C-O 3.24Å; S186-S188 VanDerWaalsContact CA-O 3.25Å; S186-S188 WeakPolarHBondContact CA-O 3.28Å; S186-S188 CarbonylContact O-C 3.52Å; S186-S188 PolarHBondContact O-N 2.94Å; S186-S188 VanDerWaalsContact O-N 3.09Å
189	L	34.2	Very low	42.3	Very low	114 Å²	114	108 Å²	108	60%	0.597	60%	0.599	S	S	*	*			trans	-42.2	144.7	166.4	-73.4	155.4	0	0	0	109.1	F191	L189-F191 VanDerWaalsContact C-N 3.31Å; L189-F191 HydrophobicContact CB-CE2 4.46Å; L189-F191 WeakPolarHBondContact O-CD2 3.28Å; L189-F191 PolarHBondContact O-N 3.09Å
190	P	26.8	Very low	39.5	Very low	120 Å²	120	114.6 Å²	114.6	78%	0.779	64%	0.64	S	S	*	*			trans	-62.4	90.7	-175.1	24.3	-32.1	0	0	0	111.3	K192	P190-K192 PolarHBondContact O-N 3.01Å
191	F	29.7	Very low	36.4	Very low	139 Å²	139	121.1 Å²	121.1	61%	0.61	68%	0.675	S	S	*	*			trans	-75.6	97.1	176.1	-82	-85.2	0	0	0	107.9	L189 H193	L189-F191 VanDerWaalsContact C-N 3.31Å; L189-F191 HydrophobicContact CB-CE2 4.46Å; L189-F191 WeakPolarHBondContact O-CD2 3.28Å; L189-F191 PolarHBondContact O-N 3.09Å; F191-H193 PolarHBondContact O-N 3.36Å; F191-H193 VanDerWaalsContact O-N 3.16Å
192	K	26.3	Very low	33.5	Very low	203 Å²	203	126.4 Å²	126.4	88%	0.883	69%	0.693	S	S	*	*			trans	-68.9	111.1	161.6	-85.3	-175.8	174.8	-179.7	0	107.8	P190 Q194	P190-K192 PolarHBondContact O-N 3.01Å; K192-Q194 PolarHBondContact O-N 3.46Å; K192-Q194 VanDerWaalsContact O-N 3.11Å
193	H	23.5	Very low	30.7	Very low	180 Å²	180	131.4 Å²	131.4	83%	0.833	71%	0.712	S	S	*	*			trans	-42.5	110.7	171.8	-76.7	-82.8	0	0	0	111.9	F191	F191-H193 PolarHBondContact O-N 3.36Å; F191-H193 VanDerWaalsContact O-N 3.16Å
194	Q	25.8	Very low	28.7	Very low	194 Å²	194	135.9 Å²	135.9	91%	0.907	74%	0.738	S	S	*	*			trans	-110.2	101.6	143.1	-89.9	-178.8	-13.4	0	0	106.4	K192	K192-Q194 PolarHBondContact O-N 3.46Å; K192-Q194 VanDerWaalsContact O-N 3.11Å
195	T	23.7	Very low	27.4	Very low	109 Å²	109	139 Å²	139	67%	0.669	75%	0.75	S	S	*	*			trans	-53.3	127	165.8	46.1	0	0	0	0	109.5
196	D	25.1	Very low	26.5	Very low	138 Å²	138	140.7 Å²	140.7	74%	0.738	76%	0.756	S	S	*	*				176.3	158	121.8	-81.4	-19.5	0	0	0	108.8
197	F	25.4	Very low	26	Very low	206 Å²	206	146.8 Å²	146.8	90%	0.904	78%	0.779	S	S	*	*			trans	102.8	88.5	-178.2	-58.4	-73.2	0	0	0	116.1
198	S	23.1	Very low	25.5	Very low	98 Å²	98	146 Å²	146	69%	0.685	78%	0.779	S	S	*	*			trans	-53.7	143.3	166.9	49.2	0	0	0	0	116.3
199	N	24.8	Very low	25.1	Very low	150 Å²	150	150.3 Å²	150.3	80%	0.802	80%	0.797	S	S	*	*			trans	57.2	102.2	140.2	-59.4	-3.6	0	0	0	119.4
200	V	28.6	Very low	24.8	Very low	152 Å²	152	149 Å²	149	92%	0.921	80%	0.797	S	S	*	*			trans	-146	125.5	135.1	-171.9	0	0	0	0	109.4
201	D	23.9	Very low	25	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	80%	0.797	S	S	*	*			trans	-76.9	165	179.9	-75.8	-53.3	0	0	0	114.5
202	E	24.4	Very low	25	Very low	174 Å²	174	151.5 Å²	151.5	81%	0.813	81%	0.805	S	S	*	*			trans	80.9	95.5	154.1	-79	-176.2	148.9	0	0	122.4
203	M	19.9	Very low	25.5	Very low	162 Å²	162	147 Å²	147	80%	0.798	79%	0.79	S	S	*	*				42.2	108.4	111.6	-164.3	153.3	69.4	0	0	119.9
204	T	22.3	Very low	26	Very low	127 Å²	127	143.6 Å²	143.6	78%	0.779	78%	0.778	S	S	*	*				176.5	137	119.4	26.9	0	0	0	0	114.7
205	L	22.5	Very low	27	Very low	165 Å²	165	135.8 Å²	135.8	86%	0.864	74%	0.741	S	S	*	*			trans	82.1	113.6	153	-63.2	166.8	0	0	0	120.8
206	T	23.3	Very low	27.5	Very low	138 Å²	138	135.3 Å²	135.3	85%	0.847	74%	0.735	S	S	*	*			trans	-78.9	112.4	177.6	47.4	0	0	0	0	112.3
207	E	23.4	Very low	28.1	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	73%	0.728	S	S	*	*			trans	-127.3	128.9	158.4	-74	-170.6	165.9	0	0	109.4	N209	E207-N209 PolarHBondContact O-N 3.03Å
208	A	24.8	Very low	28.6	Very low	99 Å²	99	130.2 Å²	130.2	82%	0.818	71%	0.712	S	S	*	*			trans	-6.3	104.9	177.8	0	0	0	0	0	117.1	S210	A208-S210 VanDerWaalsContact C-N 3.33Å; A208-S210 PolarHBondContact O-N 3.14Å
209	N	26.1	Very low	28.9	Very low	158 Å²	158	132 Å²	132	85%	0.845	71%	0.708	S	S	*	*			trans	-59.5	90.9	167.8	-71.2	-15.3	0	0	0	110.5	E207 E211	E207-N209 PolarHBondContact O-N 3.03Å; N209-E211 PolarHBondContact O-N 3.43Å
210	S	27.1	Very low	29	Very low	86 Å²	86	131.3 Å²	131.3	60%	0.601	70%	0.704	S	S	*	*			trans	-63.2	107.9	146.2	53	0	0	0	0	106.1	A208 N212	A208-S210 VanDerWaalsContact C-N 3.33Å; A208-S210 PolarHBondContact O-N 3.14Å; S210-N212 VanDerWaalsContact C-N 3.25Å; S210-N212 PolarHBondContact O-N 3.11Å
211	E	30.7	Very low	29	Very low	167 Å²	167	130.7 Å²	130.7	78%	0.78	69%	0.694	S	S	*	*			trans	-59.6	89.3	175.8	-68.6	177.8	168.6	0	0	109.3	N209 I213	N209-E211 PolarHBondContact O-N 3.43Å; E211-I213 PolarHBondContact O-N 3.03Å; E211-I213 VanDerWaalsContact O-N 3.1Å
212	N	30.6	Very low	29.2	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	69%	0.69	S	S	*	*			trans	-73.7	98.9	172.5	-81.8	-27.1	0	0	0	107.4	S210 D214	S210-N212 VanDerWaalsContact C-N 3.25Å; S210-N212 PolarHBondContact O-N 3.11Å; N212-D214 PolarHBondContact O-N 2.81Å
213	I	35.7	Very low	29.3	Very low	110 Å²	110	128.8 Å²	128.8	56%	0.564	69%	0.688	S	S	*	*			trans	-64.3	114.9	171.6	-60.7	169.4	0	0	0	107.5	E211 I215	E211-I213 PolarHBondContact O-N 3.03Å; E211-I213 VanDerWaalsContact O-N 3.1Å; I213-I215 HydrophobicContact CG2-CG1 4.08Å; I213-I215 PolarHBondContact O-N 3.49Å
214	D	34	Very low	29.7	Very low	108 Å²	108	127.8 Å²	127.8	58%	0.578	69%	0.685	S	S	*	*			trans	-82	102.8	179.6	-164.6	-3.6	0	0	0	110.3	N212	N212-D214 PolarHBondContact O-N 2.81Å
215	I	47	Very low	30	Very low	29 Å²	29	126.3 Å²	126.3	15%	0.149	68%	0.68	C	S	.	*			trans	-88.2	-8	-168.6	-67.3	168	0	0	0	111.6	I213 Q217 L413	I213-I215 HydrophobicContact CG2-CG1 4.08Å; I213-I215 PolarHBondContact O-N 3.49Å; I215-Q217 PolarHBondContact O-N 3.47Å; I215-Q217 VanDerWaalsContact O-N 3.12Å; I215-L413 HydrophobicContact CG2-CD1 3.87Å; I215-L413 HydrophobicContact CG2-CD2 4.44Å
216	D	35.1	Very low	30.2	Very low	99 Å²	99	125.2 Å²	125.2	53%	0.529	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.7	-11.8	-173.1	-91.4	-43.3	0	0	0	114.8	K219	D216-K219 WeakPolarHBondContact OD1-CE 3.21Å; D216-K219 IonicContact OD1-NZ 2.84Å; D216-K219 PolarHBondContact OD1-NZ 2.86Å
217	Q	36.9	Very low	30.3	Very low	129 Å²	129	125.9 Å²	125.9	60%	0.603	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	9	-175.5	-63.1	-172.6	-6	0	0	115.8	I215	I215-Q217 PolarHBondContact O-N 3.47Å; I215-Q217 VanDerWaalsContact O-N 3.12Å
218	L	37.1	Very low	30.4	Very low	108 Å²	108	125.3 Å²	125.3	57%	0.565	67%	0.67	S	S	*	*			trans	-109.9	24.7	-172.1	-71	166.2	0	0	0	115.5	N220	L218-N220 PolarHBondContact O-N 3.37Å
219	K	28	Very low	30.7	Very low	136 Å²	136	128.8 Å²	128.8	59%	0.591	66%	0.663	S	S	*	*			trans	-86.9	7.2	-157.1	-84.6	178.6	-177.7	157.9	0	120.5	D216	D216-K219 WeakPolarHBondContact OD1-CE 3.21Å; D216-K219 IonicContact OD1-NZ 2.84Å; D216-K219 PolarHBondContact OD1-NZ 2.86Å
220	N	28.1	Very low	31	Very low	136 Å²	136	129.2 Å²	129.2	73%	0.727	67%	0.666	S	S	*	*			trans	-103.3	123.8	-169	-71.7	-14.6	0	0	0	114.3	L218	L218-N220 PolarHBondContact O-N 3.37Å
221	I	28.4	Very low	31.4	Very low	138 Å²	138	129.5 Å²	129.5	71%	0.708	67%	0.667	S	S	*	*			trans	116.9	107.1	147.9	-62.2	169.2	0	0	0	117.6
222	I	28.2	Very low	32.3	Very low	135 Å²	135	128 Å²	128	69%	0.692	66%	0.664	S	S	*	*			trans	91.1	137	139.9	-64.2	168.7	0	0	0	122.5	Q412	I222-Q412 PolarHBondContact O-NE2 2.98Å
223	D	26.1	Very low	33.5	Very low	146 Å²	146	124.3 Å²	124.3	78%	0.781	64%	0.644	S	S	*	*			trans	-77.7	146.3	-175.9	-67.2	-46.1	0	0	0	116.4
224	I	28.4	Very low	34.7	Very low	142 Å²	142	125.1 Å²	125.1	73%	0.728	65%	0.646	S	S	*	*			trans	-145.6	135.8	166.3	-59.3	-179.7	0	0	0	110.9
225	S	28.8	Very low	36.2	Very low	96 Å²	96	124.5 Å²	124.5	67%	0.671	64%	0.642	S	S	*	*			trans	-101.2	148.7	175.5	48.1	0	0	0	0	113.8
226	N	25.4	Very low	37.5	Very low	142 Å²	142	124.1 Å²	124.1	76%	0.759	64%	0.639	S	S	*	*			trans	-76.5	147.6	179.8	-70.5	-36.3	0	0	0	112.2
227	D	27	Very low	39	Very low	152 Å²	152	120.4 Å²	120.4	81%	0.813	62%	0.619	S	S	*	*			trans	-165	157	144.7	-91.4	-30.8	0	0	0	113.4
228	Q	24.2	Very low	40.2	Very low	172 Å²	172	114.5 Å²	114.5	80%	0.804	59%	0.592	S	S	*	*			trans	-86.6	151.8	-162.7	-63.2	170.4	-14.3	0	0	113.2
229	Y	31.6	Very low	41.4	Very low	171 Å²	171	117.3 Å²	117.3	67%	0.671	60%	0.6	S	S	*	*			trans	-137.9	138.7	178.7	-82	-85.6	0	0	0	112.8
230	D	32.4	Very low	42.5	Very low	167 Å²	167	115 Å²	115	89%	0.893	60%	0.599	S	S	*	*			trans	-81	155.8	172.5	-84.5	-40.9	0	0	0	112.9
231	C	36.6	Very low	43.7	Very low	92 Å²	92	112.6 Å²	112.6	62%	0.622	59%	0.586	S	S	*	*			trans	-116.6	127.1	-170.4	-173.9	0	0	0	0	112.3
232	D	48.2	Very low	44.9	Very low	137 Å²	137	115.1 Å²	115.1	73%	0.733	60%	0.595	S	S	*	*			trans	-97.5	136.2	177.2	-73.3	-40.1	0	0	0	113.5	E234 L235	D232-E234 PolarHBondContact O-N 2.89Å; D232-E234 VanDerWaalsContact O-N 3.15Å; D232-L235 PolarHBondContact O-N 3.31Å
233	D	55.7	Low	46	Very low	65 Å²	65	113.7 Å²	113.7	35%	0.348	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-64.1	-13.9	-174.4	-71.4	-14.1	0	0	0	115.8	L235 Y498 Y499 W584	D233-L235 PolarHBondContact O-N 3.17Å; D233-Y498 PolarHBondContact OD2-OH 2.59Å; D233-Y499 PolarHBondContact O-OH 2.96Å; D233-W584 VanDerWaalsContact OD1-CE2 3.29Å; D233-W584 WeakPolarHBondContact OD1-CZ2 3.18Å; D233-W584 PolarHBondContact OD1-NE1 2.96Å
234	E	61.1	Low	47.1	Very low	128 Å²	128	107.9 Å²	107.9	60%	0.598	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-71.2	-14.2	-179.7	-60.2	-148.7	127.6	0	0	113.3	D232 F236 L237 R502	D232-E234 PolarHBondContact O-N 2.89Å; D232-E234 VanDerWaalsContact O-N 3.15Å; E234-F236 PolarHBondContact O-N 3.21Å; E234-F236 VanDerWaalsContact O-N 3.16Å; E234-L237 PolarHBondContact O-N 3.44Å; E234-R502 IonicContact OE1-CZ 3.65Å; E234-R502 IonicContact OE1-NH1 3.66Å; E234-R502 IonicContact OE1-NH2 3.79Å; E234-R502 PolarHBondContact OE1-NH2 2.76Å
235	L	66.4	Low	48.1	Very low	95 Å²	95	104.8 Å²	104.8	50%	0.497	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-60.6	-25.8	-176	-170.4	66	0	0	0	113.9	D232 D233	D232-L235 PolarHBondContact O-N 3.31Å; D233-L235 PolarHBondContact O-N 3.17Å
236	F	73.6	Confident	49.1	Very low	20 Å²	20	104.2 Å²	104.2	9%	0.088	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-95.1	-4.4	-173.8	-41.4	-64.8	0	0	0	114.8	E234 Y495 Y499 K577 F581 W584	E234-F236 PolarHBondContact O-N 3.21Å; E234-F236 VanDerWaalsContact O-N 3.16Å; F236-Y495 PolarHBondContact O-OH 3.13Å; F236-Y499 HydrophobicContact CB-CE2 4.29Å; F236-Y499 WeakPolarHBondContact CB-OH 3.28Å; F236-K577 WeakPolarHBondContact O-CB 3.45Å; F236-K577 WeakPolarHBondContact O-CD 3.22Å; F236-F581 HydrophobicContact CB-CB 4.35Å; F236-F581 HydrophobicContact CG-CB 4.37Å; F236-W584 HydrophobicContact CE2-CB 3.85Å; F236-W584 AromaticContact CE2-CD1 3.93Å; F236-W584 HydrophobicContact CE2-CD2 4.2Å; F236-W584 AromaticContact CE2-CG 3.73Å; F236-W584 HydrophobicContact CE2-CG 3.73Å; F236-W584 HydrophobicContact CZ-CB 3.91Å; F236-W584 HydrophobicContact CZ-CG 4.2Å
237	L	66	Low	50.2	Low	21 Å²	21	106 Å²	106	11%	0.11	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-78.6	135.9	178.7	-88.9	132.9	0	0	0	112.4	E234 Y499 R502 K577	E234-L237 PolarHBondContact O-N 3.44Å; L237-Y499 HydrophobicContact CD1-CD1 3.48Å; L237-Y499 VanDerWaalsContact CD1-CD1 3.48Å; L237-Y499 HydrophobicContact CD1-CE1 3.17Å; L237-Y499 HydrophobicContact CD2-CD1 3.62Å; L237-Y499 HydrophobicContact CD2-CE1 4.13Å; L237-Y499 HydrophobicContact CD2-CG 4.05Å; L237-Y499 HydrophobicContact CG-CD1 3.44Å; L237-Y499 VanDerWaalsContact CG-CD1 3.44Å; L237-Y499 HydrophobicContact CG-CE1 3.41Å; L237-Y499 VanDerWaalsContact CG-CE1 3.41Å; L237-Y499 HydrophobicContact CG-CG 4.07Å; L237-R502 VanDerWaalsContact CD1-NE 3.34Å; L237-R502 HydrophobicContact CD2-CB 3.53Å; L237-K577 PolarHBondContact O-NZ 3.1Å
238	C	62.2	Low	51	Low	5 Å²	5	107.4 Å²	107.4	3%	0.034	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-74.9	127.4	158.8	-101	0	0	0	0	109.4	L507 F574 K577	C238-L507 HydrophobicContact CB-CD2 3.69Å; C238-F574 HydrophobicContact CB-CD2 4.33Å; C238-K577 PolarHBondContact SG-NZ 2.75Å
239	K	62.8	Low	51.5	Low	168 Å²	168	106.4 Å²	106.4	73%	0.73	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-68.7	138.6	175.1	-67.7	-174.3	177.7	-179.3	0	108	D241	K239-D241 PolarHBondContact O-N 3.22Å
240	P	52.3	Low	51.7	Low	88 Å²	88	101.9 Å²	101.9	57%	0.571	51%	0.51	S	S	*	.			trans	-72.4	112.5	176.4	28.1	-31.5	0	0	0	109.3
241	D	53.1	Low	51.9	Low	84 Å²	84	98.8 Å²	98.8	45%	0.449	50%	0.502	S	S	.	.			trans	-96	121.1	156.4	-111.9	-36.9	0	0	0	108.1	K239 N243 L244	K239-D241 PolarHBondContact O-N 3.22Å; D241-N243 PolarHBondContact O-N 3.11Å; D241-L244 PolarHBondContact O-N 3.28Å
242	E	52.3	Low	51.8	Low	191 Å²	191	102.9 Å²	102.9	89%	0.893	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-14.7	-179.5	-68.2	-164.7	151.8	0	0	112.6
243	N	51.1	Low	51.1	Low	106 Å²	106	99.9 Å²	99.9	57%	0.567	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	31.9	-179.1	-63.6	-34.7	0	0	0	113.5	D241 F245 D246	D241-N243 PolarHBondContact O-N 3.11Å; N243-F245 PolarHBondContact O-N 3.04Å; N243-D246 PolarHBondContact O-N 2.88Å
244	L	50.1	Low	50.4	Low	24 Å²	24	98.1 Å²	98.1	13%	0.126	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-20.1	-171.1	-155.1	72.9	0	0	0	116.4	D241 V506 Y571	D241-L244 PolarHBondContact O-N 3.28Å; L244-V506 HydrophobicContact CD2-CB 4.1Å; L244-V506 HydrophobicContact CD2-CG1 3.59Å; L244-Y571 HydrophobicContact CD1-CD1 4.14Å; L244-Y571 HydrophobicContact CD1-CD2 4.29Å; L244-Y571 HydrophobicContact CD1-CE1 3.53Å; L244-Y571 HydrophobicContact CD1-CE2 3.71Å; L244-Y571 HydrophobicContact CD1-CG 4.48Å; L244-Y571 WeakPolarHBondContact CD1-OH 3.41Å
245	F	50.2	Low	49.3	Very low	77 Å²	77	98.3 Å²	98.3	34%	0.338	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	18.4	-173.2	-62.6	-59.6	0	0	0	115.6	N243 K247 V506 D567	N243-F245 PolarHBondContact O-N 3.04Å; F245-K247 PolarHBondContact O-N 2.87Å; F245-V506 HydrophobicContact CD2-CG1 3.86Å; F245-V506 HydrophobicContact CE2-CG1 3.26Å; F245-V506 HydrophobicContact CZ-CG1 4.27Å; F245-D567 HydrophobicContact CE1-CB 4.48Å
246	D	49.2	Very low	48.1	Very low	84 Å²	84	94.5 Å²	94.5	45%	0.449	47%	0.466	S	S	.	.			trans	-71.8	95.4	170.1	-134.3	4.2	0	0	0	107.7	N243 H248 K249 I250	N243-D246 PolarHBondContact O-N 2.88Å; D246-H248 PolarHBondContact O-N 2.73Å; D246-K249 PolarHBondContact O-N 3.12Å; D246-I250 WeakPolarHBondContact O-CG1 3.21Å
247	K	49.1	Very low	46.5	Very low	179 Å²	179	97.9 Å²	97.9	78%	0.778	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-20	-174.4	-75.6	-173.8	172.5	-175.4	0	113.9	F245	F245-K247 PolarHBondContact O-N 2.87Å
248	H	42.3	Very low	45.1	Very low	182 Å²	182	99 Å²	99	84%	0.843	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.1	179.1	-72.2	-68.1	0	0	0	115.4	D246	D246-H248 PolarHBondContact O-N 2.73Å
249	K	35.7	Very low	44.1	Very low	150 Å²	150	102.8 Å²	102.8	65%	0.652	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	7.1	-179.7	-77.8	-175.1	178.1	175.6	0	114.7	D246 S251	D246-K249 PolarHBondContact O-N 3.12Å; K249-S251 PolarHBondContact O-N 3.04Å
250	I	35.1	Very low	43.1	Very low	77 Å²	77	96.5 Å²	96.5	40%	0.395	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-71.5	34.5	171.2	-27.9	-178	0	0	0	111.8	D246 E252 L253	D246-I250 WeakPolarHBondContact O-CG1 3.21Å; I250-E252 VanDerWaalsContact C-N 3.3Å; I250-L253 HydrophobicContact CB-CD1 4.02Å; I250-L253 HydrophobicContact CB-CG 4.43Å; I250-L253 HydrophobicContact CG2-CB 4.48Å; I250-L253 HydrophobicContact CG2-CD1 3.46Å; I250-L253 VanDerWaalsContact CG2-CD1 3.46Å; I250-L253 HydrophobicContact CG2-CD2 4.36Å; I250-L253 HydrophobicContact CG2-CG 3.46Å; I250-L253 VanDerWaalsContact CG2-CG 3.46Å; I250-L253 VanDerWaalsContact O-CD1 3.29Å; I250-L253 WeakPolarHBondContact O-CD1 3.46Å
251	S	36.9	Very low	42.4	Very low	102 Å²	102	96.6 Å²	96.6	71%	0.713	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-84.4	-6.1	174.3	-167.2	0	0	0	0	112.5	K249 L253	K249-S251 PolarHBondContact O-N 3.04Å; S251-L253 VanDerWaalsContact C-N 3.28Å
252	E	34.3	Very low	41.7	Very low	177 Å²	177	97.5 Å²	97.5	83%	0.827	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-95.2	25.7	167.6	-67.2	-175.7	174.6	0	0	111.6	I250 D254	I250-E252 VanDerWaalsContact C-N 3.3Å; E252-D254 PolarHBondContact O-N 3.27Å
253	L	34.7	Very low	41.3	Very low	75 Å²	75	91.6 Å²	91.6	39%	0.393	45%	0.447	S	S	.	.			trans	-60.5	98.6	171.7	-105.4	157.1	0	0	0	110.4	I250 S251 L258	I250-L253 HydrophobicContact CB-CD1 4.02Å; I250-L253 HydrophobicContact CB-CG 4.43Å; I250-L253 HydrophobicContact CG2-CB 4.48Å; I250-L253 HydrophobicContact CG2-CD1 3.46Å; I250-L253 VanDerWaalsContact CG2-CD1 3.46Å; I250-L253 HydrophobicContact CG2-CD2 4.36Å; I250-L253 HydrophobicContact CG2-CG 3.46Å; I250-L253 VanDerWaalsContact CG2-CG 3.46Å; I250-L253 VanDerWaalsContact O-CD1 3.29Å; I250-L253 WeakPolarHBondContact O-CD1 3.46Å; S251-L253 VanDerWaalsContact C-N 3.28Å; L253-L258 WeakPolarHBondContact O-CD1 3.4Å; L253-L258 WeakPolarHBondContact O-CG 3.48Å
254	D	39.7	Very low	40.9	Very low	28 Å²	28	88.6 Å²	88.6	15%	0.15	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.9	105.1	155.5	-70.8	-40.2	0	0	0	115	E252 I256 E257 L258 H573	E252-D254 PolarHBondContact O-N 3.27Å; D254-I256 CarbonylContact O-C 3.54Å; D254-I256 PolarHBondContact O-N 3.13Å; D254-E257 CarbonylContact O-C 3.57Å; D254-E257 PolarHBondContact O-N 2.86Å; D254-L258 PolarHBondContact O-N 2.68Å; D254-H573 IonicContact OD1-CD2 3.94Å; D254-H573 IonicContact OD1-NE2 3.55Å; D254-H573 IonicContact OD2-CD2 2.99Å; D254-H573 IonicContact OD2-NE2 3.24Å
255	E	38.6	Very low	40.3	Very low	131 Å²	131	93.7 Å²	93.7	61%	0.612	46%	0.457	S	S	*	.	H	α-helix	trans	-43.8	-15.5	169.5	-74	-176.8	164.4	0	0	114.5	D259	E255-D259 WeakPolarHBondContact O-CA 3.43Å; E255-D259 WeakPolarHBondContact O-CB 3.33Å; E255-D259 PolarHBondContact O-N 3.26Å
256	I	41.2	Very low	39.6	Very low	15 Å²	15	97 Å²	97	8%	0.077	47%	0.474	C	S	.	.	H	α-helix	trans	-86.6	-40.4	173.3	-67.5	166.1	0	0	0	113.3	D254 Q260 L333 R337	D254-I256 CarbonylContact O-C 3.54Å; D254-I256 PolarHBondContact O-N 3.13Å; I256-Q260 VanDerWaalsContact CG2-NE2 3.31Å; I256-Q260 VanDerWaalsContact O-CB 3.25Å; I256-Q260 WeakPolarHBondContact O-CB 3.43Å; I256-Q260 WeakPolarHBondContact O-CG 3.47Å; I256-Q260 PolarHBondContact O-N 3.07Å; I256-Q260 PolarHBondContact O-NE2 2.91Å; I256-L333 HydrophobicContact CG2-CD1 4.3Å; I256-L333 HydrophobicContact CG2-CD2 4.02Å; I256-R337 HydrophobicContact CD1-CG 3.98Å; I256-R337 HydrophobicContact CG1-CG 4.48Å
257	E	39.1	Very low	39.5	Very low	91 Å²	91	95.8 Å²	95.8	43%	0.425	47%	0.465	S	S	.	.	H	α-helix	trans	-76.3	-38.5	170.3	-75	-156.4	166.8	0	0	109.8	D254 Q260 Q261	D254-E257 CarbonylContact O-C 3.57Å; D254-E257 PolarHBondContact O-N 2.86Å; E257-Q260 CarbonylContact O-C 3.54Å; E257-Q260 PolarHBondContact O-N 3.11Å; E257-Q261 VanDerWaalsContact O-CA 3.32Å; E257-Q261 WeakPolarHBondContact O-CA 3.33Å; E257-Q261 WeakPolarHBondContact O-CB 3.47Å; E257-Q261 WeakPolarHBondContact O-CG 3.46Å; E257-Q261 PolarHBondContact O-N 2.78Å
258	L	37.7	Very low	39.6	Very low	45 Å²	45	91.6 Å²	91.6	24%	0.236	46%	0.459	C	S	.	.	H	α-helix	trans	-60.3	-47.1	165.2	-81.6	157.1	0	0	0	111	L253 D254 Q260 Q261 F262	L253-L258 WeakPolarHBondContact O-CD1 3.4Å; L253-L258 WeakPolarHBondContact O-CG 3.48Å; D254-L258 PolarHBondContact O-N 2.68Å; L258-Q260 VanDerWaalsContact C-N 3.28Å; L258-Q260 PolarHBondContact O-N 3.48Å; L258-Q261 CarbonylContact O-C 3.53Å; L258-Q261 PolarHBondContact O-N 2.96Å; L258-F262 HydrophobicContact CB-CD2 4.12Å; L258-F262 HydrophobicContact CD2-CD2 3.47Å; L258-F262 VanDerWaalsContact CD2-CD2 3.47Å; L258-F262 HydrophobicContact CD2-CE2 3.24Å; L258-F262 HydrophobicContact CD2-CZ 4.49Å; L258-F262 HydrophobicContact CG-CD2 4.42Å; L258-F262 VanDerWaalsContact O-CA 3.27Å; L258-F262 WeakPolarHBondContact O-CA 3.43Å; L258-F262 WeakPolarHBondContact O-CB 3.44Å; L258-F262 WeakPolarHBondContact O-CD2 3.5Å; L258-F262 PolarHBondContact O-N 2.86Å
259	D	41.2	Very low	40.7	Very low	85 Å²	85	87.5 Å²	87.5	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-63.7	-35.4	175.7	-85.3	-14.7	0	0	0	111.6	E255 E263	E255-D259 WeakPolarHBondContact O-CA 3.43Å; E255-D259 WeakPolarHBondContact O-CB 3.33Å; E255-D259 PolarHBondContact O-N 3.26Å; D259-E263 WeakPolarHBondContact O-CA 3.2Å; D259-E263 WeakPolarHBondContact O-CB 3.45Å; D259-E263 WeakPolarHBondContact O-CG 3.23Å; D259-E263 PolarHBondContact O-N 3.3Å
260	Q	42.1	Very low	42.5	Very low	35 Å²	35	80.8 Å²	80.8	16%	0.164	41%	0.414	C	S	.	.	H	α-helix	trans	-74.5	-36.3	176.8	-73.8	179.3	70.1	0	0	112.5	I256 E257 L258 S264	I256-Q260 VanDerWaalsContact CG2-NE2 3.31Å; I256-Q260 VanDerWaalsContact O-CB 3.25Å; I256-Q260 WeakPolarHBondContact O-CB 3.43Å; I256-Q260 WeakPolarHBondContact O-CG 3.47Å; I256-Q260 PolarHBondContact O-N 3.07Å; I256-Q260 PolarHBondContact O-NE2 2.91Å; E257-Q260 CarbonylContact O-C 3.54Å; E257-Q260 PolarHBondContact O-N 3.11Å; L258-Q260 VanDerWaalsContact C-N 3.28Å; L258-Q260 PolarHBondContact O-N 3.48Å; Q260-S264 WeakPolarHBondContact O-CB 3.47Å; Q260-S264 PolarHBondContact O-N 3.45Å; Q260-S264 PolarHBondContact O-OG 3.33Å; Q260-S264 VanDerWaalsContact O-OG 3.07Å
261	Q	37.2	Very low	44.8	Very low	91 Å²	91	78.3 Å²	78.3	43%	0.425	41%	0.408	S	S	.	.	H	α-helix	trans	-76.5	-52.5	178	-74.2	-176.2	8	0	0	109.3	E257 L258 S264 Q265	E257-Q261 VanDerWaalsContact O-CA 3.32Å; E257-Q261 WeakPolarHBondContact O-CA 3.33Å; E257-Q261 WeakPolarHBondContact O-CB 3.47Å; E257-Q261 WeakPolarHBondContact O-CG 3.46Å; E257-Q261 PolarHBondContact O-N 2.78Å; L258-Q261 CarbonylContact O-C 3.53Å; L258-Q261 PolarHBondContact O-N 2.96Å; Q261-S264 VanDerWaalsContact CA-OG 3.26Å; Q261-S264 WeakPolarHBondContact CA-OG 3.37Å; Q261-S264 CarbonylContact O-C 3.33Å; Q261-S264 WeakPolarHBondContact O-CA 3.21Å; Q261-S264 PolarHBondContact O-N 2.88Å; Q261-S264 PolarHBondContact O-OG 3.16Å; Q261-Q265 WeakPolarHBondContact O-CA 3.35Å; Q261-Q265 WeakPolarHBondContact O-CB 3.23Å; Q261-Q265 VanDerWaalsContact O-CG 3.24Å; Q261-Q265 WeakPolarHBondContact O-CG 3.45Å; Q261-Q265 PolarHBondContact O-N 2.94Å
262	F	38.1	Very low	47.3	Very low	102 Å²	102	73.8 Å²	73.8	45%	0.447	38%	0.375	S	S	.	.	H	α-helix	trans	-52.5	-49.1	166.3	-88.5	-104.7	0	0	0	111.9	L258 S264 Q265 Q266	L258-F262 HydrophobicContact CB-CD2 4.12Å; L258-F262 HydrophobicContact CD2-CD2 3.47Å; L258-F262 VanDerWaalsContact CD2-CD2 3.47Å; L258-F262 HydrophobicContact CD2-CE2 3.24Å; L258-F262 HydrophobicContact CD2-CZ 4.49Å; L258-F262 HydrophobicContact CG-CD2 4.42Å; L258-F262 VanDerWaalsContact O-CA 3.27Å; L258-F262 WeakPolarHBondContact O-CA 3.43Å; L258-F262 WeakPolarHBondContact O-CB 3.44Å; L258-F262 WeakPolarHBondContact O-CD2 3.5Å; L258-F262 PolarHBondContact O-N 2.86Å; F262-S264 PolarHBondContact O-N 2.73Å; F262-Q265 PolarHBondContact O-N 3.2Å; F262-Q266 WeakPolarHBondContact O-CA 3.48Å; F262-Q266 WeakPolarHBondContact O-CB 3.49Å; F262-Q266 WeakPolarHBondContact O-CG 3.44Å; F262-Q266 PolarHBondContact O-N 2.75Å
263	E	44.2	Very low	50.1	Low	68 Å²	68	65.4 Å²	65.4	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-32.6	174.1	-79.6	-175.5	173.7	0	0	111.2	D259 Q267 R354 R425	D259-E263 WeakPolarHBondContact O-CA 3.2Å; D259-E263 WeakPolarHBondContact O-CB 3.45Å; D259-E263 WeakPolarHBondContact O-CG 3.23Å; D259-E263 PolarHBondContact O-N 3.3Å; E263-Q267 WeakPolarHBondContact O-CB 3.39Å; E263-Q267 WeakPolarHBondContact O-CG 3.46Å; E263-Q267 PolarHBondContact O-N 2.95Å; E263-R354 IonicContact OE1-NH2 2.8Å; E263-R354 PolarHBondContact OE1-NH2 3.48Å; E263-R425 IonicContact OE2-NE 2.85Å; E263-R425 IonicContact OE2-NH2 3.27Å
264	S	41.2	Very low	53	Low	42 Å²	42	62.7 Å²	62.7	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-83.2	-21.9	178.7	75.6	0	0	0	0	115.3	Q260 Q261 F262 K453	Q260-S264 WeakPolarHBondContact O-CB 3.47Å; Q260-S264 PolarHBondContact O-N 3.45Å; Q260-S264 PolarHBondContact O-OG 3.33Å; Q260-S264 VanDerWaalsContact O-OG 3.07Å; Q261-S264 VanDerWaalsContact CA-OG 3.26Å; Q261-S264 WeakPolarHBondContact CA-OG 3.37Å; Q261-S264 CarbonylContact O-C 3.33Å; Q261-S264 WeakPolarHBondContact O-CA 3.21Å; Q261-S264 PolarHBondContact O-N 2.88Å; Q261-S264 PolarHBondContact O-OG 3.16Å; F262-S264 PolarHBondContact O-N 2.73Å; S264-K453 PolarHBondContact O-NZ 3.02Å
265	Q	37.8	Very low	55.7	Low	132 Å²	132	61.3 Å²	61.3	62%	0.617	31%	0.314	S	S	*	.	H	α-helix	trans	-92.3	-38.3	178.8	-76.8	-179.7	-0.8	0	0	110.1	Q261 F262 Q267	Q261-Q265 WeakPolarHBondContact O-CA 3.35Å; Q261-Q265 WeakPolarHBondContact O-CB 3.23Å; Q261-Q265 VanDerWaalsContact O-CG 3.24Å; Q261-Q265 WeakPolarHBondContact O-CG 3.45Å; Q261-Q265 PolarHBondContact O-N 2.94Å; F262-Q265 PolarHBondContact O-N 3.2Å; Q265-Q267 PolarHBondContact O-N 3.39Å
266	Q	37.1	Very low	58.6	Low	146 Å²	146	55.1 Å²	55.1	68%	0.682	29%	0.285	S	S	*	.	S	Bend	trans	-68.3	-22.7	168.7	-71.6	-176.3	-4	0	0	112.1	F262 S268	F262-Q266 WeakPolarHBondContact O-CA 3.48Å; F262-Q266 WeakPolarHBondContact O-CB 3.49Å; F262-Q266 WeakPolarHBondContact O-CG 3.44Å; F262-Q266 PolarHBondContact O-N 2.75Å; Q266-S268 PolarHBondContact O-N 3.47Å
267	Q	45.9	Very low	61.3	Low	58 Å²	58	54.4 Å²	54.4	27%	0.271	28%	0.281	S	S	.	.	S	Bend	trans	-74.6	85.4	162.1	-77.2	175.5	19.4	0	0	108.4	E263 Q265 D269 K453	E263-Q267 WeakPolarHBondContact O-CB 3.39Å; E263-Q267 WeakPolarHBondContact O-CG 3.46Å; E263-Q267 PolarHBondContact O-N 2.95Å; Q265-Q267 PolarHBondContact O-N 3.39Å; Q267-D269 PolarHBondContact O-N 3.47Å; Q267-K453 PolarHBondContact O-NZ 3.36Å
268	S	51.1	Low	64	Low	91 Å²	91	50 Å²	50	64%	0.636	26%	0.261	S	S	*	.			trans	-41.6	134.3	165	49	0	0	0	0	109.3	Q266 N270	Q266-S268 PolarHBondContact O-N 3.47Å; S268-N270 PolarHBondContact O-N 3.27Å
269	D	65.9	Low	66.7	Low	96 Å²	96	47.9 Å²	47.9	51%	0.513	25%	0.249	S	C	.	.			trans	-57.2	117.7	175.5	-164.1	-7.3	0	0	0	107.2	Q267 G271	Q267-D269 PolarHBondContact O-N 3.47Å; D269-G271 PolarHBondContact O-N 2.83Å; D269-G271 PolarHBondContact OD1-N 3.35Å
270	N	74.5	Confident	68.9	Low	10 Å²	10	48.3 Å²	48.3	5%	0.053	24%	0.244	C	C	.	.			trans	-82.9	3.8	-170.9	72.2	-31.6	0	0	0	111.8	N172 S268 L272 R274 P429	N172-N270 WeakPolarHBondContact ND2-CB 3.41Å; N172-N270 PolarHBondContact ND2-O 2.87Å; S268-N270 PolarHBondContact O-N 3.27Å; N270-L272 PolarHBondContact O-N 2.95Å; N270-R274 PolarHBondContact OD1-NH2 3.45Å; N270-P429 VanDerWaalsContact ND2-C 3.27Å; N270-P429 PolarHBondContact ND2-O 3.17Å
271	G	81.5	Confident	70.8	Confident	25 Å²	25	49.1 Å²	49.1	26%	0.258	25%	0.252	S	S	.	.			trans	69.1	-15.5	176.5	0	0	0	0	0	114.4	Y169 D269 L273 N456	Y169-G271 WeakPolarHBondContact CD2-O 3.19Å; Y169-G271 WeakPolarHBondContact CE2-O 3.25Å; D269-G271 PolarHBondContact O-N 2.83Å; D269-G271 PolarHBondContact OD1-N 3.35Å; G271-L273 PolarHBondContact O-N 3.38Å; G271-N456 PolarHBondContact O-ND2 3.04Å
272	L	90	Very high	73.1	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.031	24%	0.241	C	C	.	.			trans	-62.9	131.7	-173.7	-70.7	-174	0	0	0	112.2	Y169 N172 L173 I176 N270	Y169-L272 HydrophobicContact CD1-CD2 4.35Å; Y169-L272 HydrophobicContact CD2-CD2 3.92Å; Y169-L272 HydrophobicContact CE1-CD2 4.29Å; Y169-L272 HydrophobicContact CE2-CD2 3.87Å; Y169-L272 HydrophobicContact CG-CD2 4.16Å; N172-L272 HydrophobicContact CB-CD1 3.8Å; N172-L272 HydrophobicContact CB-CD2 4.03Å; N172-L272 HydrophobicContact CB-CG 3.91Å; L173-L272 HydrophobicContact CD2-CD2 3.99Å; L173-L272 HydrophobicContact CG-CD2 4.19Å; I176-L272 HydrophobicContact CD1-CD1 3.59Å; N270-L272 PolarHBondContact O-N 2.95Å
273	L	93.8	Very high	75.3	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.247	C	C	.	.			trans	-72.3	129.7	170.7	-169.9	80.6	0	0	0	109.8	W109 L110 Y113 G271 N456 I458	W109-L273 HydrophobicContact CE3-CD2 4.49Å; W109-L273 HydrophobicContact CH2-CD2 3.59Å; W109-L273 HydrophobicContact CZ3-CD2 3.3Å; L110-L273 HydrophobicContact CD1-CB 3.93Å; L110-L273 HydrophobicContact CD1-CD2 3.79Å; L110-L273 HydrophobicContact CD1-CG 4.16Å; Y113-L273 HydrophobicContact CD1-CB 4.37Å; Y113-L273 HydrophobicContact CD1-CD2 3.84Å; Y113-L273 HydrophobicContact CE1-CB 4.08Å; Y113-L273 HydrophobicContact CE1-CD2 3.95Å; Y113-L273 HydrophobicContact CG-CD2 4.31Å; G271-L273 PolarHBondContact O-N 3.38Å; L273-N456 WeakPolarHBondContact CA-O 3.4Å; L273-N456 HydrophobicContact CD1-CB 4.44Å; L273-N456 WeakPolarHBondContact CD1-O 3.1Å; L273-N456 WeakPolarHBondContact CD1-OD1 3.38Å; L273-I458 HydrophobicContact CD2-CD1 4.16Å
274	R	94.8	Very high	77.4	Confident	18 Å²	18	44.7 Å²	44.7	7%	0.068	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.6	-179.2	-56	-173.2	-168.2	124.2	8.3	112	N270 N456 S457 I458	N270-R274 PolarHBondContact OD1-NH2 3.45Å; R274-N456 PolarHBondContact N-O 2.93Å; R274-N456 VanDerWaalsContact N-O 3.1Å; R274-S457 CarbonylContact O-C 3.31Å; R274-S457 WeakPolarHBondContact O-CA 3.33Å; R274-S457 WeakPolarHBondContact O-CB 3.47Å; R274-I458 PolarHBondContact O-N 2.8Å
275	I	97.5	Very high	79.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	111.6	168.5	-67.1	168.8	0	0	0	107.9	T106 L107 L110 Q432 L433 V434 I458 I460	T106-I275 VanDerWaalsContact O-CD1 3.25Å; T106-I275 WeakPolarHBondContact O-CD1 3.46Å; L107-I275 HydrophobicContact CD2-CD1 3.77Å; L110-I275 HydrophobicContact CB-CD1 3.75Å; L110-I275 HydrophobicContact CD2-CD1 3.91Å; L110-I275 HydrophobicContact CD2-CG1 4.39Å; L110-I275 HydrophobicContact CG-CD1 4.35Å; I275-Q432 PolarHBondContact N-O 3.11Å; I275-L433 HydrophobicContact CB-CD1 4.34Å; I275-L433 HydrophobicContact CG2-CD1 3.94Å; I275-L433 CarbonylContact O-C 3.24Å; I275-L433 WeakPolarHBondContact O-CA 3.49Å; I275-V434 PolarHBondContact O-N 3.46Å; I275-I458 CarbonylContact C-O 3.58Å; I275-I458 WeakPolarHBondContact CA-O 3.43Å; I275-I458 HydrophobicContact CG1-CB 4.3Å; I275-I458 HydrophobicContact CG1-CD1 4.48Å; I275-I460 HydrophobicContact CG2-CD1 3.88Å; I275-I460 HydrophobicContact CG2-CG1 4.46Å
276	I	97.9	Very high	82.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	110.8	174.8	-60.8	172.7	0	0	0	107.4	V434 V436 L441 L452 L454 I458 V459 I460	I276-V434 CarbonylContact C-O 3.48Å; I276-V434 WeakPolarHBondContact CA-O 3.41Å; I276-V434 HydrophobicContact CG1-CB 4.42Å; I276-V436 HydrophobicContact CG2-CB 4.26Å; I276-V436 HydrophobicContact CG2-CG2 3.79Å; I276-L441 HydrophobicContact CG2-CD1 4.4Å; I276-L452 HydrophobicContact CD1-CD1 3.82Å; I276-L452 HydrophobicContact CD1-CG 4.33Å; I276-L452 HydrophobicContact CG1-CD1 4.28Å; I276-L454 HydrophobicContact CD1-CD2 3.79Å; I276-I458 PolarHBondContact N-O 2.95Å; I276-V459 HydrophobicContact CB-CG2 4.34Å; I276-V459 HydrophobicContact CD1-CG2 4.29Å; I276-V459 CarbonylContact O-C 3.51Å; I276-V459 WeakPolarHBondContact O-CA 3.33Å; I276-I460 PolarHBondContact O-N 3.25Å
277	Y	98.3	Very high	84.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.1	174.6	-162.3	-68.2	0	0	0	109.7	L102 L103 L285 V288 V434 L435 V436 I460 D462	L102-Y277 HydrophobicContact CB-CE2 4.36Å; L102-Y277 HydrophobicContact CD1-CE2 4.41Å; L103-Y277 HydrophobicContact CD2-CD2 4.18Å; L103-Y277 HydrophobicContact CD2-CE2 4.48Å; Y277-L285 HydrophobicContact CD1-CD2 4.43Å; Y277-V288 HydrophobicContact CD1-CG1 4Å; Y277-V288 HydrophobicContact CD1-CG2 4.19Å; Y277-V288 HydrophobicContact CD2-CG1 4.21Å; Y277-V288 HydrophobicContact CE1-CB 4.36Å; Y277-V288 HydrophobicContact CE1-CG1 3.98Å; Y277-V288 HydrophobicContact CE1-CG2 3.54Å; Y277-V288 HydrophobicContact CE2-CG1 4.18Å; Y277-V288 HydrophobicContact CG-CG1 4.13Å; Y277-V434 PolarHBondContact N-O 3.15Å; Y277-L435 HydrophobicContact CG-CD2 4.3Å; Y277-L435 CarbonylContact O-C 3.59Å; Y277-L435 WeakPolarHBondContact O-CA 3.43Å; Y277-V436 PolarHBondContact O-N 3.17Å; Y277-I460 HydrophobicContact CD2-CB 4.2Å; Y277-I460 HydrophobicContact CD2-CD1 3.91Å; Y277-I460 HydrophobicContact CD2-CG2 4.16Å; Y277-I460 HydrophobicContact CE2-CD1 4.34Å; Y277-I460 HydrophobicContact CE2-CG2 4.02Å; Y277-D462 HydrophobicContact CE1-CB 3.82Å; Y277-D462 PolarHBondContact OH-OD2 2.77Å
278	C	97.2	Very high	87.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.1	-174.8	-166.4	0	0	0	0	111.7	V436 Y438 L441 I460 I461 D462	C278-V436 VanDerWaalsContact CA-O 3.22Å; C278-V436 WeakPolarHBondContact CA-O 3.35Å; C278-V436 PolarHBondContact SG-O 3.24Å; C278-Y438 WeakPolarHBondContact SG-CD1 3.3Å; C278-L441 HydrophobicContact CB-CD2 3.67Å; C278-L441 WeakPolarHBondContact SG-CD2 3.41Å; C278-I460 WeakPolarHBondContact CA-O 3.45Å; C278-I460 VanDerWaalsContact CB-O 3.3Å; C278-I460 WeakPolarHBondContact CB-O 3.31Å; C278-I460 PolarHBondContact N-O 3.2Å; C278-I461 HydrophobicContact CB-CG1 4.37Å; C278-D462 PolarHBondContact O-N 3.27Å
279	S	94	Very high	89.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	164.1	175.6	-165.7	0	0	0	0	111.1	T281 Q284 V436 P437 Y438	S279-T281 PolarHBondContact O-N 2.91Å; S279-Q284 VanDerWaalsContact OG-CB 3.24Å; S279-Q284 WeakPolarHBondContact OG-CB 3.18Å; S279-Q284 PolarHBondContact OG-OE1 2.89Å; S279-V436 PolarHBondContact N-O 2.92Å; S279-P437 WeakPolarHBondContact O-CA 3.17Å; S279-Y438 VanDerWaalsContact O-CD1 3.23Å; S279-Y438 WeakPolarHBondContact O-CD1 3.26Å; S279-Y438 PolarHBondContact O-N 3.04Å; S279-Y438 VanDerWaalsContact O-N 3.09Å
280	R	86	Confident	90.4	Very high	93 Å²	93	32.3 Å²	32.3	35%	0.351	18%	0.175	S	C	.	.	S	Bend	trans	-67.5	-37.6	-172.5	-170	177.8	-178.2	-174.9	-5.4	112.3	Y438 N466 E900	R280-Y438 HydrophobicContact CB-CD2 4.36Å; R280-Y438 HydrophobicContact CB-CE2 4.3Å; R280-Y438 HydrophobicContact CG-CD2 4.33Å; R280-Y438 HydrophobicContact CG-CE2 4.47Å; R280-N466 PolarHBondContact NH1-ND2 3.4Å; R280-E900 IonicContact CZ-OE2 2.75Å; R280-E900 IonicContact NH1-OE1 3.2Å; R280-E900 PolarHBondContact NH1-OE1 3.06Å; R280-E900 IonicContact NH1-OE2 2.71Å; R280-E900 PolarHBondContact NH1-OE2 3Å; R280-E900 IonicContact NH2-OE2 3.57Å
281	T	83.2	Confident	91.3	Very high	53 Å²	53	34.3 Å²	34.3	33%	0.325	18%	0.184	S	C	.	.	S	Bend	trans	-129.2	152.7	-172.6	63.9	0	0	0	0	113	S279 S283 Q284 L285	S279-T281 PolarHBondContact O-N 2.91Å; T281-S283 PolarHBondContact O-N 3.04Å; T281-S283 PolarHBondContact OG1-OG 3.21Å; T281-S283 VanDerWaalsContact OG1-OG 3.04Å; T281-Q284 PolarHBondContact O-N 3.04Å; T281-Q284 VanDerWaalsContact OG1-CD 3.24Å; T281-Q284 VanDerWaalsContact OG1-CG 3.25Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.37Å; T281-Q284 PolarHBondContact OG1-N 3.07Å; T281-Q284 PolarHBondContact OG1-OE1 3.09Å; T281-L285 PolarHBondContact O-N 2.7Å
282	H	86	Confident	91.9	Very high	43 Å²	43	33.2 Å²	33.2	20%	0.199	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-28.8	174.8	-80	-63.3	0	0	0	113.3	L285 G286 L307 S308 L312 L373	H282-L285 PolarHBondContact O-N 3.01Å; H282-G286 PolarHBondContact O-N 2.95Å; H282-L307 PolarHBondContact CE1-O 3.46Å; H282-S308 WeakPolarHBondContact CE1-CB 3.13Å; H282-S308 PolarHBondContact CE1-OG 3.34Å; H282-S308 PolarHBondContact NE2-OG 3.27Å; H282-L312 VanDerWaalsContact CD2-CD1 3.4Å; H282-L312 WeakPolarHBondContact CD2-CD1 3.19Å; H282-L312 WeakPolarHBondContact NE2-CD1 3.48Å; H282-L373 HydrophobicContact CB-CD1 4.24Å
283	S	84.2	Confident	92	Very high	80 Å²	80	35.1 Å²	35.1	56%	0.559	19%	0.189	S	C	*	.	H	α-helix	trans	-66.1	-41.5	175.4	51.7	0	0	0	0	111.8	T281 G286 Q287	T281-S283 PolarHBondContact O-N 3.04Å; T281-S283 PolarHBondContact OG1-OG 3.21Å; T281-S283 VanDerWaalsContact OG1-OG 3.04Å; S283-G286 PolarHBondContact O-N 3.12Å; S283-Q287 WeakPolarHBondContact O-CG 3.2Å; S283-Q287 PolarHBondContact O-N 3.45Å
284	Q	88.3	Confident	91.9	Very high	45 Å²	45	39.1 Å²	39.1	21%	0.21	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-44.8	173.2	-72.4	163.9	-42.5	0	0	111.6	S279 T281 G286 Q287 V288	S279-Q284 VanDerWaalsContact OG-CB 3.24Å; S279-Q284 WeakPolarHBondContact OG-CB 3.18Å; S279-Q284 PolarHBondContact OG-OE1 2.89Å; T281-Q284 PolarHBondContact O-N 3.04Å; T281-Q284 VanDerWaalsContact OG1-CD 3.24Å; T281-Q284 VanDerWaalsContact OG1-CG 3.25Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.37Å; T281-Q284 PolarHBondContact OG1-N 3.07Å; T281-Q284 PolarHBondContact OG1-OE1 3.09Å; Q284-G286 VanDerWaalsContact C-N 3.27Å; Q284-G286 PolarHBondContact O-N 3.29Å; Q284-Q287 WeakPolarHBondContact O-CA 3.47Å; Q284-Q287 WeakPolarHBondContact O-CB 3.47Å; Q284-Q287 PolarHBondContact O-N 3.33Å; Q284-V288 WeakPolarHBondContact O-CG2 3.46Å; Q284-V288 PolarHBondContact O-N 3.25Å
285	L	92.6	Very high	91.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-37.9	174.6	-63.6	174.1	0	0	0	112.1	Y277 T281 H282 Q287 V288 A289 L435 V436 P437	Y277-L285 HydrophobicContact CD1-CD2 4.43Å; T281-L285 PolarHBondContact O-N 2.7Å; H282-L285 PolarHBondContact O-N 3.01Å; L285-Q287 VanDerWaalsContact C-N 3.31Å; L285-Q287 PolarHBondContact O-N 3.16Å; L285-V288 PolarHBondContact O-N 3.34Å; L285-A289 PolarHBondContact O-N 2.67Å; L285-L435 HydrophobicContact CD2-CB 4.22Å; L285-V436 VanDerWaalsContact CD1-C 3.48Å; L285-P437 HydrophobicContact CD1-CB 4.29Å
286	G	91.2	Very high	91.4	Very high	23 Å²	23	45.9 Å²	45.9	24%	0.237	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-35.1	173.1	0	0	0	0	0	113	H282 S283 Q284 K290	H282-G286 PolarHBondContact O-N 2.95Å; S283-G286 PolarHBondContact O-N 3.12Å; Q284-G286 VanDerWaalsContact C-N 3.27Å; Q284-G286 PolarHBondContact O-N 3.29Å; G286-K290 WeakPolarHBondContact O-CG 3.48Å; G286-K290 PolarHBondContact O-N 3.31Å; G286-K290 VanDerWaalsContact O-N 3.15Å
287	Q	89.6	Confident	91	Very high	103 Å²	103	48.9 Å²	48.9	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-67	-44.2	171.8	-68.4	172.1	2.4	0	0	111.3	S283 Q284 L285 A289 K290 E291	S283-Q287 WeakPolarHBondContact O-CG 3.2Å; S283-Q287 PolarHBondContact O-N 3.45Å; Q284-Q287 WeakPolarHBondContact O-CA 3.47Å; Q284-Q287 WeakPolarHBondContact O-CB 3.47Å; Q284-Q287 PolarHBondContact O-N 3.33Å; L285-Q287 VanDerWaalsContact C-N 3.31Å; L285-Q287 PolarHBondContact O-N 3.16Å; Q287-A289 VanDerWaalsContact C-N 3.31Å; Q287-A289 PolarHBondContact O-N 3.05Å; Q287-K290 WeakPolarHBondContact O-CB 3.36Å; Q287-K290 PolarHBondContact O-N 3.09Å; Q287-K290 VanDerWaalsContact O-N 3.1Å; Q287-E291 WeakPolarHBondContact O-CG 3.34Å; Q287-E291 PolarHBondContact O-N 2.97Å
288	V	93.1	Very high	90.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-42.1	176.1	176.1	0	0	0	0	111.1	L103 Y277 Q284 L285 K290 E291 F292 L435	L103-V288 HydrophobicContact CD1-CG1 3.96Å; L103-V288 HydrophobicContact CD2-CG1 4.23Å; L103-V288 HydrophobicContact CG-CG1 4.39Å; Y277-V288 HydrophobicContact CD1-CG1 4Å; Y277-V288 HydrophobicContact CD1-CG2 4.19Å; Y277-V288 HydrophobicContact CD2-CG1 4.21Å; Y277-V288 HydrophobicContact CE1-CB 4.36Å; Y277-V288 HydrophobicContact CE1-CG1 3.98Å; Y277-V288 HydrophobicContact CE1-CG2 3.54Å; Y277-V288 HydrophobicContact CE2-CG1 4.18Å; Y277-V288 HydrophobicContact CG-CG1 4.13Å; Q284-V288 WeakPolarHBondContact O-CG2 3.46Å; Q284-V288 PolarHBondContact O-N 3.25Å; L285-V288 PolarHBondContact O-N 3.34Å; V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 2.89Å; V288-E291 PolarHBondContact O-N 2.97Å; V288-F292 WeakPolarHBondContact O-CB 3.36Å; V288-F292 PolarHBondContact O-N 2.69Å; V288-L435 HydrophobicContact CG1-CD2 4.1Å
289	A	93.6	Very high	90.5	Very high	27 Å²	27	51.3 Å²	51.3	22%	0.223	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-40.6	174.8	0	0	0	0	0	112.3	L285 Q287 F292 A293 L435	L285-A289 PolarHBondContact O-N 2.67Å; Q287-A289 VanDerWaalsContact C-N 3.31Å; Q287-A289 PolarHBondContact O-N 3.05Å; A289-F292 PolarHBondContact O-N 3.33Å; A289-A293 PolarHBondContact O-N 3.12Å; A289-L435 HydrophobicContact CB-CD1 3.86Å
290	K	91.6	Very high	90.4	Very high	149 Å²	149	55.7 Å²	55.7	65%	0.648	29%	0.288	S	S	*	.	H	α-helix	trans	-66.3	-40.2	174.7	-71.1	174.5	-177.5	-175.5	0	112.4	G286 Q287 V288 A293 K294	G286-K290 WeakPolarHBondContact O-CG 3.48Å; G286-K290 PolarHBondContact O-N 3.31Å; G286-K290 VanDerWaalsContact O-N 3.15Å; Q287-K290 WeakPolarHBondContact O-CB 3.36Å; Q287-K290 PolarHBondContact O-N 3.09Å; Q287-K290 VanDerWaalsContact O-N 3.1Å; V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 2.89Å; K290-A293 PolarHBondContact O-N 3.21Å; K290-K294 PolarHBondContact O-N 3.42Å
291	E	92	Very high	90.6	Very high	52 Å²	52	56.7 Å²	56.7	24%	0.243	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-39.5	175.1	-65.6	-53.1	138.4	0	0	111.5	L103 Q287 V288 A293 K294	L103-E291 HydrophobicContact CD1-CB 4.38Å; Q287-E291 WeakPolarHBondContact O-CG 3.34Å; Q287-E291 PolarHBondContact O-N 2.97Å; V288-E291 PolarHBondContact O-N 2.97Å; E291-A293 VanDerWaalsContact C-N 3.33Å; E291-A293 PolarHBondContact O-N 3.14Å; E291-K294 WeakPolarHBondContact O-CB 3.44Å; E291-K294 PolarHBondContact O-N 3.45Å; E291-K294 VanDerWaalsContact O-N 3.08Å; E291-K294 IonicContact OE1-NZ 3.6Å; E291-K294 PolarHBondContact OE1-NZ 2.81Å; E291-K294 WeakPolarHBondContact OE2-CD 3.36Å; E291-K294 WeakPolarHBondContact OE2-CE 2.98Å; E291-K294 IonicContact OE2-NZ 3.38Å; E291-K294 PolarHBondContact OE2-NZ 3.09Å
292	F	94.7	Very high	91.2	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-59.9	-41.7	174.1	175.3	-124.7	0	0	0	112.2	L103 L107 V288 A289 K294 C295 L298 F299 V302 I304 L433	L103-F292 HydrophobicContact CD1-CB 3.83Å; L107-F292 HydrophobicContact CD1-CD2 3.58Å; L107-F292 HydrophobicContact CD1-CE2 3.3Å; L107-F292 HydrophobicContact CD1-CZ 4.32Å; V288-F292 WeakPolarHBondContact O-CB 3.36Å; V288-F292 PolarHBondContact O-N 2.69Å; A289-F292 PolarHBondContact O-N 3.33Å; F292-K294 PolarHBondContact O-N 2.67Å; F292-C295 WeakPolarHBondContact O-CB 3.44Å; F292-C295 PolarHBondContact O-N 3.2Å; F292-L298 HydrophobicContact CE2-CB 4.2Å; F292-F299 AromaticContact CD1-CD2 3.71Å; F292-F299 HydrophobicContact CD1-CD2 3.71Å; F292-F299 HydrophobicContact CD1-CE2 4.22Å; F292-F299 AromaticContact CE1-CD2 3.52Å; F292-F299 HydrophobicContact CE1-CD2 3.52Å; F292-F299 HydrophobicContact CE1-CE2 4.09Å; F292-F299 HydrophobicContact CE1-CG 4.46Å; F292-F299 HydrophobicContact CE2-CB 4.49Å; F292-F299 HydrophobicContact CG-CD2 4.42Å; F292-F299 HydrophobicContact CZ-CB 4.34Å; F292-F299 HydrophobicContact CZ-CD2 4.05Å; F292-V302 HydrophobicContact CE2-CB 4.42Å; F292-V302 HydrophobicContact CZ-CB 4Å; F292-V302 HydrophobicContact CZ-CG1 4.22Å; F292-I304 HydrophobicContact CD1-CD1 3.66Å; F292-I304 HydrophobicContact CE1-CB 4.04Å; F292-I304 HydrophobicContact CE1-CD1 4.03Å; F292-I304 HydrophobicContact CE1-CG2 4.1Å; F292-L433 HydrophobicContact CD1-CD2 4.07Å; F292-L433 HydrophobicContact CD2-CD2 4.21Å; F292-L433 HydrophobicContact CE1-CD2 4.23Å; F292-L433 HydrophobicContact CE2-CD2 4.41Å; F292-L433 HydrophobicContact CG-CD2 4.04Å; F292-L433 HydrophobicContact CZ-CD2 4.39Å
293	A	92.8	Very high	91.6	Very high	47 Å²	47	52.1 Å²	52.1	39%	0.388	27%	0.27	S	S	.	.	H	α-helix	trans	-61.7	-23	176.1	0	0	0	0	0	113.6	A289 K290 E291 F299	A289-A293 PolarHBondContact O-N 3.12Å; K290-A293 PolarHBondContact O-N 3.21Å; E291-A293 VanDerWaalsContact C-N 3.33Å; E291-A293 PolarHBondContact O-N 3.14Å; A293-F299 HydrophobicContact CB-CD2 4.3Å; A293-F299 HydrophobicContact CB-CE2 4.26Å
294	K	92.3	Very high	92.2	Very high	85 Å²	85	48.8 Å²	48.8	37%	0.37	25%	0.246	S	C	.	.	H	α-helix	trans	-72.5	-31.9	173.8	-61.3	177.9	-168.1	167.3	0	112.2	P63 K290 E291 F292 K296	P63-K294 HydrophobicContact CB-CB 4.21Å; P63-K294 WeakPolarHBondContact CB-O 3.4Å; P63-K294 HydrophobicContact CG-CB 4.34Å; K290-K294 PolarHBondContact O-N 3.42Å; E291-K294 WeakPolarHBondContact O-CB 3.44Å; E291-K294 PolarHBondContact O-N 3.45Å; E291-K294 VanDerWaalsContact O-N 3.08Å; E291-K294 IonicContact OE1-NZ 3.6Å; E291-K294 PolarHBondContact OE1-NZ 2.81Å; E291-K294 WeakPolarHBondContact OE2-CD 3.36Å; E291-K294 WeakPolarHBondContact OE2-CE 2.98Å; E291-K294 IonicContact OE2-NZ 3.38Å; E291-K294 PolarHBondContact OE2-NZ 3.09Å; F292-K294 PolarHBondContact O-N 2.67Å; K294-K296 PolarHBondContact O-N 3.02Å
295	C	92	Very high	92.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.			trans	-74.5	68.7	176.6	-60.3	0	0	0	0	111.4	L100 F292 T297 L298 F299	L100-C295 WeakPolarHBondContact CD1-SG 3.42Å; F292-C295 WeakPolarHBondContact O-CB 3.44Å; F292-C295 PolarHBondContact O-N 3.2Å; C295-T297 VanDerWaalsContact C-N 3.27Å; C295-T297 PolarHBondContact O-N 3.16Å; C295-T297 VanDerWaalsContact O-N 3.12Å; C295-L298 HydrophobicContact CB-CB 4.16Å; C295-L298 HydrophobicContact CB-CD1 4.11Å; C295-L298 HydrophobicContact CB-CG 4.49Å; C295-L298 PolarHBondContact O-N 2.88Å; C295-F299 WeakPolarHBondContact O-CB 3.31Å; C295-F299 PolarHBondContact O-N 3.12Å
296	K	88.9	Confident	92.7	Very high	160 Å²	160	47.8 Å²	47.8	70%	0.696	24%	0.241	S	C	*	.	H	α-helix	trans	-51.7	-40.2	-170.8	-66.8	-175.2	179	-178.2	0	114.4	K294 N300	K294-K296 PolarHBondContact O-N 3.02Å; K296-N300 WeakPolarHBondContact O-CB 3.39Å; K296-N300 PolarHBondContact O-N 2.96Å; K296-N300 VanDerWaalsContact O-N 3.15Å; K296-N300 PolarHBondContact O-ND2 3.29Å
297	T	89.9	Confident	92.8	Very high	62 Å²	62	46.9 Å²	46.9	38%	0.38	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-41.6	-179.8	55.4	0	0	0	0	112.1	D61 C295	D61-T297 WeakPolarHBondContact CA-OG1 3.3Å; D61-T297 WeakPolarHBondContact CB-OG1 3.28Å; D61-T297 WeakPolarHBondContact OD1-CB 3.35Å; D61-T297 PolarHBondContact OD1-OG1 3.13Å; C295-T297 VanDerWaalsContact C-N 3.27Å; C295-T297 PolarHBondContact O-N 3.16Å; C295-T297 VanDerWaalsContact O-N 3.12Å
298	L	93	Very high	92.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-78.1	-42.2	177.6	-62.5	170.5	0	0	0	111.4	D61 L107 L111 F292 C295 N300 K301 V302	D61-L298 HydrophobicContact CB-CD1 3.7Å; D61-L298 HydrophobicContact CB-CD2 4.03Å; D61-L298 HydrophobicContact CB-CG 3.69Å; L107-L298 HydrophobicContact CB-CD1 4.01Å; L107-L298 HydrophobicContact CB-CD2 4.09Å; L107-L298 HydrophobicContact CB-CG 4.47Å; L107-L298 HydrophobicContact CD1-CB 4.28Å; L107-L298 HydrophobicContact CD1-CD1 4.29Å; L111-L298 HydrophobicContact CD1-CD2 3.68Å; F292-L298 HydrophobicContact CE2-CB 4.2Å; C295-L298 HydrophobicContact CB-CB 4.16Å; C295-L298 HydrophobicContact CB-CD1 4.11Å; C295-L298 HydrophobicContact CB-CG 4.49Å; C295-L298 PolarHBondContact O-N 2.88Å; L298-N300 PolarHBondContact O-N 3.37Å; L298-K301 PolarHBondContact O-N 3.32Å; L298-V302 WeakPolarHBondContact O-CB 3.44Å; L298-V302 PolarHBondContact O-N 3.39Å
299	F	91.9	Very high	92.7	Very high	51 Å²	51	44.5 Å²	44.5	22%	0.224	23%	0.226	C	C	.	.	H	α-helix	trans	-56.5	-38.1	179.8	-176.6	-96.3	0	0	0	112.3	K180 F292 A293 C295 K301	K180-F299 PolarHBondContact NZ-O 3.08Å; F292-F299 AromaticContact CD1-CD2 3.71Å; F292-F299 HydrophobicContact CD1-CD2 3.71Å; F292-F299 HydrophobicContact CD1-CE2 4.22Å; F292-F299 AromaticContact CE1-CD2 3.52Å; F292-F299 HydrophobicContact CE1-CD2 3.52Å; F292-F299 HydrophobicContact CE1-CE2 4.09Å; F292-F299 HydrophobicContact CE1-CG 4.46Å; F292-F299 HydrophobicContact CE2-CB 4.49Å; F292-F299 HydrophobicContact CG-CD2 4.42Å; F292-F299 HydrophobicContact CZ-CB 4.34Å; F292-F299 HydrophobicContact CZ-CD2 4.05Å; A293-F299 HydrophobicContact CB-CD2 4.3Å; A293-F299 HydrophobicContact CB-CE2 4.26Å; C295-F299 WeakPolarHBondContact O-CB 3.31Å; C295-F299 PolarHBondContact O-N 3.12Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 3.24Å
300	N	90.6	Very high	92.5	Very high	92 Å²	92	43.5 Å²	43.5	49%	0.492	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.8	179.1	-68.9	-13.3	0	0	0	113.7	K180 K296 L298	K180-N300 WeakPolarHBondContact CB-O 3.46Å; K296-N300 WeakPolarHBondContact O-CB 3.39Å; K296-N300 PolarHBondContact O-N 2.96Å; K296-N300 VanDerWaalsContact O-N 3.15Å; K296-N300 PolarHBondContact O-ND2 3.29Å; L298-N300 PolarHBondContact O-N 3.37Å
301	K	91.6	Very high	92.3	Very high	115 Å²	115	39.8 Å²	39.8	50%	0.5	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-31.5	-177.3	-67.5	-177.5	176.7	-173	0	113.4	L111 L298 F299	L111-K301 HydrophobicContact CD1-CB 4.32Å; L111-K301 HydrophobicContact CD1-CD 3.83Å; L111-K301 HydrophobicContact CD2-CB 4.33Å; L298-K301 PolarHBondContact O-N 3.32Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 3.24Å
302	V	94.7	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.			trans	-104.9	126.4	-169.1	177	0	0	0	0	111.6	L107 L111 K180 F292 L298 Q432 L433	L107-V302 HydrophobicContact CD2-CG1 3.83Å; L107-V302 HydrophobicContact CD2-CG2 4.4Å; L111-V302 HydrophobicContact CD2-CG2 4.13Å; L111-V302 HydrophobicContact CG-CG2 4.44Å; K180-V302 VanDerWaalsContact CE-C 3.44Å; K180-V302 WeakPolarHBondContact CE-O 3.45Å; K180-V302 PolarHBondContact NZ-O 3.44Å; F292-V302 HydrophobicContact CE2-CB 4.42Å; F292-V302 HydrophobicContact CZ-CB 4Å; F292-V302 HydrophobicContact CZ-CG1 4.22Å; L298-V302 WeakPolarHBondContact O-CB 3.44Å; L298-V302 PolarHBondContact O-N 3.39Å; V302-Q432 HydrophobicContact CG1-CB 3.8Å; V302-L433 HydrophobicContact CG1-CB 4.11Å
303	T	95.7	Very high	92.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.			trans	-77.1	147.9	173.3	49.4	0	0	0	0	112.1	I176 K180 L367 L430 Q432 L433	I176-T303 HydrophobicContact CB-CG2 4.46Å; I176-T303 HydrophobicContact CG1-CG2 4.27Å; I176-T303 HydrophobicContact CG2-CG2 3.8Å; K180-T303 HydrophobicContact CG-CG2 4.4Å; T303-L367 WeakPolarHBondContact CA-O 3.1Å; T303-L367 HydrophobicContact CG2-CB 4.26Å; T303-L367 HydrophobicContact CG2-CD2 4.24Å; T303-L430 PolarHBondContact OG1-O 3.4Å; T303-Q432 PolarHBondContact O-N 3.09Å; T303-Q432 PolarHBondContact OG1-N 3.32Å; T303-Q432 VanDerWaalsContact OG1-N 3.07Å; T303-L433 PolarHBondContact O-N 2.88Å
304	I	95.9	Very high	92.1	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.051	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.3	-175.5	-175.3	174	0	0	0	112.2	F292 L367 G369 L433 L435	F292-I304 HydrophobicContact CD1-CD1 3.66Å; F292-I304 HydrophobicContact CE1-CB 4.04Å; F292-I304 HydrophobicContact CE1-CD1 4.03Å; F292-I304 HydrophobicContact CE1-CG2 4.1Å; I304-L367 PolarHBondContact N-O 2.9Å; I304-L367 VanDerWaalsContact N-O 3.08Å; I304-L367 WeakPolarHBondContact O-CA 3.31Å; I304-G369 VanDerWaalsContact CG2-CA 3.49Å; I304-L433 CarbonylContact C-O 3.35Å; I304-L433 VanDerWaalsContact CA-O 3.23Å; I304-L433 WeakPolarHBondContact CA-O 3.48Å; I304-L433 HydrophobicContact CB-CB 4.37Å; I304-L433 HydrophobicContact CD1-CD2 3.8Å; I304-L433 HydrophobicContact CD1-CG 4.29Å; I304-L433 HydrophobicContact CG1-CB 4.3Å; I304-L433 HydrophobicContact CG1-CD2 4.1Å; I304-L433 HydrophobicContact CG1-CG 4.11Å; I304-L435 HydrophobicContact CD1-CD1 3.9Å; I304-L435 HydrophobicContact CD1-CG 4.07Å; I304-L435 HydrophobicContact CG1-CG 4.33Å
305	I	95.4	Very high	91.9	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.6	168.5	-77.3	-172.9	0	0	0	110.6	L307 L367 N424 G427 L428 A431 L433 V434 L435	I305-L307 HydrophobicContact CG2-CD2 3.75Å; I305-L307 HydrophobicContact CG2-CG 4.29Å; I305-L367 HydrophobicContact CD1-CD2 3.85Å; I305-L367 HydrophobicContact CD1-CG 4.19Å; I305-L367 HydrophobicContact CG1-CD2 3.97Å; I305-L367 HydrophobicContact CG1-CG 4.42Å; I305-N424 WeakPolarHBondContact CD1-O 3.27Å; I305-N424 HydrophobicContact CG2-CB 4.36Å; I305-G427 WeakPolarHBondContact CD1-O 3.49Å; I305-L428 VanDerWaalsContact CD1-N 3.3Å; I305-L428 HydrophobicContact CG2-CD1 4.39Å; I305-A431 HydrophobicContact CB-CB 3.87Å; I305-A431 HydrophobicContact CD1-CB 3.87Å; I305-A431 HydrophobicContact CG1-CB 3.79Å; I305-L433 PolarHBondContact N-O 3.36Å; I305-V434 CarbonylContact O-C 3.05Å; I305-V434 WeakPolarHBondContact O-CA 3.34Å; I305-L435 PolarHBondContact O-N 3.16Å
306	Q	95.2	Very high	91.7	Very high	20 Å²	20	35 Å²	35	9%	0.093	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	105.4	174.7	-174.1	-178.3	11.3	0	0	110.4	S371 N424 L435	Q306-S371 PolarHBondContact OE1-OG 3.26Å; Q306-N424 PolarHBondContact O-ND2 3.07Å; Q306-L435 HydrophobicContact CB-CB 4.24Å; Q306-L435 HydrophobicContact CG-CB 4.1Å
307	L	94.1	Very high	91.4	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.026	16%	0.161	C	C	.	.			trans	-75	145.9	178.8	-63.1	-175	0	0	0	111.4	H282 I305 N424 L428 V434 L435 V436 L452	H282-L307 PolarHBondContact CE1-O 3.46Å; I305-L307 HydrophobicContact CG2-CD2 3.75Å; I305-L307 HydrophobicContact CG2-CG 4.29Å; L307-N424 HydrophobicContact CD2-CB 4.08Å; L307-L428 HydrophobicContact CD1-CD1 4.26Å; L307-L428 HydrophobicContact CD1-CD2 4.31Å; L307-L428 HydrophobicContact CD2-CD1 4.29Å; L307-V434 HydrophobicContact CD1-CG1 3.88Å; L307-V434 HydrophobicContact CG-CG1 3.93Å; L307-L435 PolarHBondContact N-O 3.24Å; L307-V436 HydrophobicContact CB-CG2 4.48Å; L307-V436 HydrophobicContact CD1-CG2 4.04Å; L307-V436 HydrophobicContact CG-CG2 4.44Å; L307-L452 HydrophobicContact CD1-CB 4.31Å; L307-L452 HydrophobicContact CD1-CD1 4.07Å
308	S	91.7	Very high	91	Very high	8 Å²	8	33.4 Å²	33.4	6%	0.056	17%	0.173	C	C	.	.			trans	-157.2	167	173.9	-170.3	0	0	0	0	110.1	H282 L312	H282-S308 WeakPolarHBondContact CE1-CB 3.13Å; H282-S308 PolarHBondContact CE1-OG 3.34Å; H282-S308 PolarHBondContact NE2-OG 3.27Å; S308-L312 WeakPolarHBondContact OG-CB 3.25Å; S308-L312 VanDerWaalsContact OG-CD1 3.25Å; S308-L312 WeakPolarHBondContact OG-CD1 3.41Å
309	S	89.7	Confident	90.6	Very high	47 Å²	47	33.6 Å²	33.6	33%	0.329	17%	0.174	S	C	.	.			trans	-72.5	159.9	-177	67.1	0	0	0	0	112.1	H311 L312 L313	S309-H311 PolarHBondContact O-N 3.4Å; S309-L312 PolarHBondContact O-N 3.45Å; S309-L312 VanDerWaalsContact O-N 3.08Å; S309-L313 PolarHBondContact O-N 3.4Å
310	R	89.1	Confident	90.2	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-35.4	173.6	-64.9	179.5	-175.8	140.8	10.8	111.6	L312 L313 C314 I328 N329 Y421	R310-L312 VanDerWaalsContact C-N 3.26Å; R310-L312 PolarHBondContact O-N 3.29Å; R310-L313 PolarHBondContact O-N 3.24Å; R310-C314 WeakPolarHBondContact O-CB 3.43Å; R310-C314 PolarHBondContact O-N 3.29Å; R310-I328 HydrophobicContact CB-CG2 3.95Å; R310-N329 WeakPolarHBondContact CB-OD1 3.42Å; R310-N329 WeakPolarHBondContact CD-OD1 3.38Å; R310-N329 PolarHBondContact NH1-O 3Å; R310-Y421 HydrophobicContact CB-CD2 4.49Å; R310-Y421 HydrophobicContact CG-CD1 3.94Å; R310-Y421 HydrophobicContact CG-CD2 3.61Å; R310-Y421 HydrophobicContact CG-CE1 3.85Å; R310-Y421 HydrophobicContact CG-CE2 3.51Å; R310-Y421 HydrophobicContact CG-CG 3.81Å; R310-Y421 VanDerWaalsContact NE-CZ 3.26Å; R310-Y421 PolarHBondContact NE-OH 2.74Å; R310-Y421 PolarHBondContact NH2-OH 2.91Å
311	H	88.1	Confident	89.8	Confident	70 Å²	70	34.5 Å²	34.5	32%	0.324	18%	0.175	S	C	.	.	H	α-helix	trans	-55.8	-39.6	175.6	172.8	67.2	0	0	0	112.6	S309 P325 I328 R380	S309-H311 PolarHBondContact O-N 3.4Å; H311-P325 HydrophobicContact CB-CB 4.42Å; H311-I328 HydrophobicContact CB-CD1 3.85Å; H311-I328 WeakPolarHBondContact ND1-CD1 3.44Å; H311-R380 PolarHBondContact O-NH1 3.5Å; H311-R380 PolarHBondContact O-NH2 3.44Å
312	L	90.1	Very high	89.1	Confident	58 Å²	58	30.9 Å²	30.9	30%	0.304	16%	0.161	S	C	.	.	H	α-helix	trans	-86.5	-25.9	179.9	-70.1	172	0	0	0	113.7	H282 S308 S309 R310 T376 R380	H282-L312 VanDerWaalsContact CD2-CD1 3.4Å; H282-L312 WeakPolarHBondContact CD2-CD1 3.19Å; H282-L312 WeakPolarHBondContact NE2-CD1 3.48Å; S308-L312 WeakPolarHBondContact OG-CB 3.25Å; S308-L312 VanDerWaalsContact OG-CD1 3.25Å; S308-L312 WeakPolarHBondContact OG-CD1 3.41Å; S309-L312 PolarHBondContact O-N 3.45Å; S309-L312 VanDerWaalsContact O-N 3.08Å; R310-L312 VanDerWaalsContact C-N 3.26Å; R310-L312 PolarHBondContact O-N 3.29Å; L312-T376 VanDerWaalsContact O-CG2 3.28Å; L312-T376 WeakPolarHBondContact O-CG2 3.39Å; L312-R380 PolarHBondContact O-NH1 3.45Å; L312-R380 PolarHBondContact O-NH2 3.48Å
313	L	92.5	Very high	87.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-105.1	-7.5	-173.9	-64	-176.9	0	0	0	115.4	S309 R310 T315 A372 P420 Y421 N424	S309-L313 PolarHBondContact O-N 3.4Å; R310-L313 PolarHBondContact O-N 3.24Å; L313-T315 PolarHBondContact O-N 3.06Å; L313-A372 HydrophobicContact CD2-CB 3.93Å; L313-P420 HydrophobicContact CB-CB 4.39Å; L313-Y421 HydrophobicContact CD1-CD2 4.46Å; L313-N424 WeakPolarHBondContact CD1-ND2 3.5Å
314	C	91.5	Very high	86.9	Confident	11 Å²	11	39.2 Å²	39.2	7%	0.074	20%	0.198	C	C	.	.			trans	-71.5	125.4	-179.3	-174.2	0	0	0	0	111.7	R310 F320 R380	R310-C314 WeakPolarHBondContact O-CB 3.43Å; R310-C314 PolarHBondContact O-N 3.29Å; C314-F320 HydrophobicContact CB-CB 4.16Å; C314-R380 VanDerWaalsContact O-CZ 3.25Å; C314-R380 PolarHBondContact O-NE 3.5Å; C314-R380 PolarHBondContact O-NH2 3.06Å
315	T	88.8	Confident	86.2	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	21%	0.214	C	C	.	.			trans	-101.6	-3.3	176.7	51.8	0	0	0	0	113.2	L313 T376 I379 K383 P420	L313-T315 PolarHBondContact O-N 3.06Å; T315-T376 HydrophobicContact CG2-CG2 4.02Å; T315-I379 HydrophobicContact CG2-CB 4.16Å; T315-I379 HydrophobicContact CG2-CD1 3.85Å; T315-I379 HydrophobicContact CG2-CG2 3.89Å; T315-K383 PolarHBondContact O-NZ 2.89Å; T315-P420 HydrophobicContact CG2-CG 3.99Å
316	N	87.5	Confident	85.4	Confident	14 Å²	14	44 Å²	44	8%	0.075	23%	0.227	C	C	.	.			trans	-82	115.4	175.7	-172.6	-10.1	0	0	0	110.4	T318 I319 F320 M353	N316-T318 PolarHBondContact O-N 3.12Å; N316-T318 PolarHBondContact OD1-N 3.46Å; N316-T318 PolarHBondContact OD1-OG1 3.26Å; N316-I319 HydrophobicContact CB-CB 4.35Å; N316-I319 HydrophobicContact CB-CD1 3.8Å; N316-I319 HydrophobicContact CB-CG1 4.02Å; N316-I319 PolarHBondContact O-N 3.32Å; N316-I319 VanDerWaalsContact O-N 3.09Å; N316-F320 VanDerWaalsContact C-CD1 3.44Å; N316-F320 WeakPolarHBondContact O-CD1 3.49Å; N316-F320 PolarHBondContact O-N 3.42Å; N316-M353 HydrophobicContact CB-CG 4.37Å
317	E	83.3	Confident	84.4	Confident	85 Å²	85	43.6 Å²	43.6	40%	0.397	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-38.9	-173.6	-173.7	173	177.5	0	0	113.8	I319 F320 Q321	E317-I319 PolarHBondContact O-N 3.38Å; E317-F320 HydrophobicContact CB-CE1 3.81Å; E317-F320 HydrophobicContact CB-CZ 4.15Å; E317-F320 HydrophobicContact CG-CE1 4.16Å; E317-F320 HydrophobicContact CG-CZ 3.97Å; E317-Q321 HydrophobicContact CG-CG 4.29Å; E317-Q321 WeakPolarHBondContact O-CB 3.35Å; E317-Q321 WeakPolarHBondContact O-CG 3.34Å; E317-Q321 PolarHBondContact O-N 3.39Å; E317-Q321 PolarHBondContact OE1-NE2 2.92Å
318	T	81.6	Confident	83.9	Confident	103 Å²	103	43.3 Å²	43.3	63%	0.632	22%	0.224	S	C	*	.	H	α-helix	trans	-65.4	-24	178.1	60.4	0	0	0	0	112.6	N316	N316-T318 PolarHBondContact O-N 3.12Å; N316-T318 PolarHBondContact OD1-N 3.46Å; N316-T318 PolarHBondContact OD1-OG1 3.26Å
319	I	83.2	Confident	83.4	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-94.4	-51.5	-178.8	-52	176.2	0	0	0	110.6	N316 E317 Q321 L322 I328 A331 L335	N316-I319 HydrophobicContact CB-CB 4.35Å; N316-I319 HydrophobicContact CB-CD1 3.8Å; N316-I319 HydrophobicContact CB-CG1 4.02Å; N316-I319 PolarHBondContact O-N 3.32Å; N316-I319 VanDerWaalsContact O-N 3.09Å; E317-I319 PolarHBondContact O-N 3.38Å; I319-Q321 PolarHBondContact O-N 3.2Å; I319-L322 HydrophobicContact CG2-CD1 4.49Å; I319-L322 VanDerWaalsContact O-CB 3.25Å; I319-L322 WeakPolarHBondContact O-CB 3.47Å; I319-L322 VanDerWaalsContact O-CG 3.26Å; I319-L322 WeakPolarHBondContact O-CG 3.47Å; I319-L322 PolarHBondContact O-N 3.28Å; I319-I328 HydrophobicContact CG2-CB 4.35Å; I319-I328 HydrophobicContact CG2-CG1 4.48Å; I319-I328 HydrophobicContact CG2-CG2 3.91Å; I319-A331 HydrophobicContact CG2-CB 4.18Å; I319-L335 HydrophobicContact CD1-CD1 3.38Å; I319-L335 HydrophobicContact CG1-CD1 3.99Å
320	F	85.2	Confident	82.7	Confident	46 Å²	46	44.3 Å²	44.3	20%	0.202	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-17.1	-173.2	79.2	-112.7	0	0	0	113	C314 N316 E317 L322 R380	C314-F320 HydrophobicContact CB-CB 4.16Å; N316-F320 VanDerWaalsContact C-CD1 3.44Å; N316-F320 WeakPolarHBondContact O-CD1 3.49Å; N316-F320 PolarHBondContact O-N 3.42Å; E317-F320 HydrophobicContact CB-CE1 3.81Å; E317-F320 HydrophobicContact CB-CZ 4.15Å; E317-F320 HydrophobicContact CG-CE1 4.16Å; E317-F320 HydrophobicContact CG-CZ 3.97Å; F320-L322 PolarHBondContact O-N 3.47Å; F320-R380 HydrophobicContact CE1-CG 4.32Å; F320-R380 HydrophobicContact CZ-CG 4.48Å
321	Q	81.6	Confident	82.1	Confident	117 Å²	117	45.1 Å²	45.1	55%	0.547	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.7	171.7	-76.1	179	1.3	0	0	113.3	E317 I319 K323	E317-Q321 HydrophobicContact CG-CG 4.29Å; E317-Q321 WeakPolarHBondContact O-CB 3.35Å; E317-Q321 WeakPolarHBondContact O-CG 3.34Å; E317-Q321 PolarHBondContact O-N 3.39Å; E317-Q321 PolarHBondContact OE1-NE2 2.92Å; I319-Q321 PolarHBondContact O-N 3.2Å; Q321-K323 PolarHBondContact O-N 3.39Å
322	L	75.8	Confident	81.9	Confident	39 Å²	39	42.1 Å²	42.1	20%	0.204	22%	0.22	C	C	.	.			trans	-64.6	121.8	172.7	-59.7	171	0	0	0	108.7	I319 F320 H324 L327 I328 A331	I319-L322 HydrophobicContact CG2-CD1 4.49Å; I319-L322 VanDerWaalsContact O-CB 3.25Å; I319-L322 WeakPolarHBondContact O-CB 3.47Å; I319-L322 VanDerWaalsContact O-CG 3.26Å; I319-L322 WeakPolarHBondContact O-CG 3.47Å; I319-L322 PolarHBondContact O-N 3.28Å; F320-L322 PolarHBondContact O-N 3.47Å; L322-H324 VanDerWaalsContact C-N 3.3Å; L322-H324 PolarHBondContact O-N 3.32Å; L322-L327 HydrophobicContact CB-CB 4.4Å; L322-L327 HydrophobicContact CD1-CB 4.37Å; L322-I328 HydrophobicContact CB-CG1 3.86Å; L322-I328 WeakPolarHBondContact O-CD1 3.28Å; L322-A331 HydrophobicContact CD1-CB 3.68Å
323	K	70	Confident	81.4	Confident	131 Å²	131	40.9 Å²	40.9	57%	0.57	21%	0.213	S	C	*	.	S	Bend	trans	-68.5	-27.2	-173.2	-66.9	-178.5	-176.3	172.9	0	113.5	Q321 E647	Q321-K323 PolarHBondContact O-N 3.39Å; K323-E647 IonicContact NZ-OE1 3.93Å; K323-E647 PolarHBondContact NZ-OE1 2.93Å
324	H	75	Confident	80.5	Confident	43 Å²	43	45.3 Å²	45.3	20%	0.199	23%	0.234	C	C	.	.	S	Bend	trans	-95.9	132.6	-173	-155.9	-87	0	0	0	112.6	L322 D326 L327 I328 S654	L322-H324 VanDerWaalsContact C-N 3.3Å; L322-H324 PolarHBondContact O-N 3.32Å; H324-D326 VanDerWaalsContact C-N 3.35Å; H324-D326 IonicContact CE1-OD2 2.67Å; H324-D326 PolarHBondContact CE1-OD2 3.31Å; H324-D326 PolarHBondContact ND1-N 3.4Å; H324-D326 IonicContact ND1-OD2 2.81Å; H324-D326 PolarHBondContact ND1-OD2 3.08Å; H324-D326 PolarHBondContact O-N 3.35Å; H324-L327 HydrophobicContact CB-CB 4.15Å; H324-L327 HydrophobicContact CB-CD1 3.79Å; H324-L327 HydrophobicContact CB-CG 3.87Å; H324-L327 PolarHBondContact O-N 3.19Å; H324-I328 PolarHBondContact O-N 3.4Å; H324-I328 VanDerWaalsContact O-N 3.13Å; H324-S654 WeakPolarHBondContact NE2-CB 3.42Å; H324-S654 PolarHBondContact NE2-OG 3.43Å
325	P	80.4	Confident	79.9	Confident	61 Å²	61	47 Å²	47	40%	0.396	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-39.7	-178.3	24.1	-34.2	0	0	0	113.1	H311 L327 I328 N329	H311-P325 HydrophobicContact CB-CB 4.42Å; P325-L327 PolarHBondContact O-N 3.17Å; P325-I328 WeakPolarHBondContact O-CB 3.32Å; P325-I328 PolarHBondContact O-N 3.02Å; P325-N329 VanDerWaalsContact O-CG 3.31Å; P325-N329 PolarHBondContact O-N 3.35Å; P325-N329 PolarHBondContact O-ND2 2.94Å
326	D	79.5	Confident	78.9	Confident	53 Å²	53	47.9 Å²	47.9	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-67	-38.6	178.8	-57.9	-41.9	0	0	0	112.2	H324 I328 N329 I330 F657	H324-D326 VanDerWaalsContact C-N 3.35Å; H324-D326 IonicContact CE1-OD2 2.67Å; H324-D326 PolarHBondContact CE1-OD2 3.31Å; H324-D326 PolarHBondContact ND1-N 3.4Å; H324-D326 IonicContact ND1-OD2 2.81Å; H324-D326 PolarHBondContact ND1-OD2 3.08Å; H324-D326 PolarHBondContact O-N 3.35Å; D326-I328 VanDerWaalsContact C-N 3.31Å; D326-I328 PolarHBondContact O-N 3.46Å; D326-N329 WeakPolarHBondContact O-CB 3.42Å; D326-N329 PolarHBondContact O-N 3.39Å; D326-N329 VanDerWaalsContact O-N 3.1Å; D326-I330 VanDerWaalsContact O-CD1 3.23Å; D326-I330 WeakPolarHBondContact O-CD1 3.35Å; D326-I330 WeakPolarHBondContact O-CG1 3.43Å; D326-I330 PolarHBondContact O-N 2.95Å; D326-F657 HydrophobicContact CB-CD1 4.34Å; D326-F657 HydrophobicContact CB-CD2 3.6Å; D326-F657 HydrophobicContact CB-CE1 4.32Å; D326-F657 HydrophobicContact CB-CE2 3.59Å; D326-F657 HydrophobicContact CB-CG 3.99Å; D326-F657 HydrophobicContact CB-CZ 3.94Å
327	L	74.6	Confident	77.8	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-39.6	175.1	-66	178.2	0	0	0	111.5	L322 H324 P325 I330 A331 E650	L322-L327 HydrophobicContact CB-CB 4.4Å; L322-L327 HydrophobicContact CD1-CB 4.37Å; H324-L327 HydrophobicContact CB-CB 4.15Å; H324-L327 HydrophobicContact CB-CD1 3.79Å; H324-L327 HydrophobicContact CB-CG 3.87Å; H324-L327 PolarHBondContact O-N 3.19Å; P325-L327 PolarHBondContact O-N 3.17Å; L327-I330 HydrophobicContact CD2-CD1 4.14Å; L327-A331 VanDerWaalsContact O-CB 3.24Å; L327-A331 WeakPolarHBondContact O-CB 3.48Å; L327-A331 PolarHBondContact O-N 3.47Å; L327-E650 HydrophobicContact CD1-CG 4.47Å
328	I	82.3	Confident	76.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-45.7	172.1	-68.7	175.2	0	0	0	110.7	R310 H311 I319 L322 H324 P325 D326 I330 A331 C332	R310-I328 HydrophobicContact CB-CG2 3.95Å; H311-I328 HydrophobicContact CB-CD1 3.85Å; H311-I328 WeakPolarHBondContact ND1-CD1 3.44Å; I319-I328 HydrophobicContact CG2-CB 4.35Å; I319-I328 HydrophobicContact CG2-CG1 4.48Å; I319-I328 HydrophobicContact CG2-CG2 3.91Å; L322-I328 HydrophobicContact CB-CG1 3.86Å; L322-I328 WeakPolarHBondContact O-CD1 3.28Å; H324-I328 PolarHBondContact O-N 3.4Å; H324-I328 VanDerWaalsContact O-N 3.13Å; P325-I328 WeakPolarHBondContact O-CB 3.32Å; P325-I328 PolarHBondContact O-N 3.02Å; D326-I328 VanDerWaalsContact C-N 3.31Å; D326-I328 PolarHBondContact O-N 3.46Å; I328-I330 VanDerWaalsContact C-N 3.34Å; I328-I330 PolarHBondContact O-N 3.05Å; I328-A331 PolarHBondContact O-N 3.29Å; I328-C332 WeakPolarHBondContact O-CB 3.25Å; I328-C332 PolarHBondContact O-N 2.73Å
329	N	81.9	Confident	75	Confident	46 Å²	46	52.5 Å²	52.5	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-47.3	-178.7	-74.1	-24.5	0	0	0	111.2	R310 P325 D326 L333	R310-N329 WeakPolarHBondContact CB-OD1 3.42Å; R310-N329 WeakPolarHBondContact CD-OD1 3.38Å; R310-N329 PolarHBondContact NH1-O 3Å; P325-N329 VanDerWaalsContact O-CG 3.31Å; P325-N329 PolarHBondContact O-N 3.35Å; P325-N329 PolarHBondContact O-ND2 2.94Å; D326-N329 WeakPolarHBondContact O-CB 3.42Å; D326-N329 PolarHBondContact O-N 3.39Å; D326-N329 VanDerWaalsContact O-N 3.1Å; N329-L333 WeakPolarHBondContact O-CG 3.34Å; N329-L333 PolarHBondContact O-N 3.27Å; N329-L333 VanDerWaalsContact O-N 3.17Å
330	I	74.2	Confident	73.4	Confident	30 Å²	30	59.8 Å²	59.8	15%	0.154	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-55.6	176.4	-62	151.7	0	0	0	111	D326 L327 I328 C332 L333 E334 M576 I579 F657	D326-I330 VanDerWaalsContact O-CD1 3.23Å; D326-I330 WeakPolarHBondContact O-CD1 3.35Å; D326-I330 WeakPolarHBondContact O-CG1 3.43Å; D326-I330 PolarHBondContact O-N 2.95Å; L327-I330 HydrophobicContact CD2-CD1 4.14Å; I328-I330 VanDerWaalsContact C-N 3.34Å; I328-I330 PolarHBondContact O-N 3.05Å; I330-C332 PolarHBondContact O-N 3.22Å; I330-L333 CarbonylContact O-C 3.57Å; I330-L333 WeakPolarHBondContact O-CA 3.16Å; I330-L333 WeakPolarHBondContact O-CB 3.4Å; I330-L333 PolarHBondContact O-N 3.29Å; I330-E334 PolarHBondContact O-N 3.49Å; I330-M576 HydrophobicContact CB-SD 3.94Å; I330-M576 HydrophobicContact CD1-CE 3.59Å; I330-M576 HydrophobicContact CD1-SD 3.29Å; I330-M576 WeakPolarHBondContact CD1-SD 3.41Å; I330-M576 HydrophobicContact CG1-CE 3.73Å; I330-M576 HydrophobicContact CG1-SD 3.4Å; I330-M576 WeakPolarHBondContact CG1-SD 3.25Å; I330-M576 HydrophobicContact CG2-CG 3.91Å; I330-M576 HydrophobicContact CG2-SD 3.23Å; I330-M576 WeakPolarHBondContact CG2-SD 3.25Å; I330-I579 HydrophobicContact CD1-CD1 4.38Å; I330-F657 HydrophobicContact CD1-CE2 3.34Å; I330-F657 HydrophobicContact CD1-CZ 3.23Å; I330-F657 HydrophobicContact CG1-CE2 4.41Å; I330-F657 HydrophobicContact CG1-CZ 3.85Å
331	A	77.4	Confident	71.4	Confident	23 Å²	23	64.4 Å²	64.4	19%	0.19	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-35.3	-173.7	0	0	0	0	0	111	I319 L322 L327 I328 L335	I319-A331 HydrophobicContact CG2-CB 4.18Å; L322-A331 HydrophobicContact CD1-CB 3.68Å; L327-A331 VanDerWaalsContact O-CB 3.24Å; L327-A331 WeakPolarHBondContact O-CB 3.48Å; L327-A331 PolarHBondContact O-N 3.47Å; I328-A331 PolarHBondContact O-N 3.29Å; A331-L335 WeakPolarHBondContact O-CG 3.48Å; A331-L335 PolarHBondContact O-N 2.97Å
332	C	83.4	Confident	69.6	Low	8 Å²	8	67.8 Å²	67.8	5%	0.054	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-43.7	171.6	-171.3	0	0	0	0	112.6	I328 I330 N336	I328-C332 WeakPolarHBondContact O-CB 3.25Å; I328-C332 PolarHBondContact O-N 2.73Å; I330-C332 PolarHBondContact O-N 3.22Å; C332-N336 PolarHBondContact O-ND2 3.47Å
333	L	79.4	Confident	68	Low	32 Å²	32	74.9 Å²	74.9	17%	0.168	36%	0.362	C	S	.	.	H	α-helix	trans	-69.5	-35.5	177.5	-70.2	173.1	0	0	0	112.7	I256 N329 I330 L335 N336	I256-L333 HydrophobicContact CG2-CD1 4.3Å; I256-L333 HydrophobicContact CG2-CD2 4.02Å; N329-L333 WeakPolarHBondContact O-CG 3.34Å; N329-L333 PolarHBondContact O-N 3.27Å; N329-L333 VanDerWaalsContact O-N 3.17Å; I330-L333 CarbonylContact O-C 3.57Å; I330-L333 WeakPolarHBondContact O-CA 3.16Å; I330-L333 WeakPolarHBondContact O-CB 3.4Å; I330-L333 PolarHBondContact O-N 3.29Å; L333-L335 VanDerWaalsContact C-N 3.35Å; L333-L335 PolarHBondContact O-N 3.02Å; L333-N336 VanDerWaalsContact O-CB 3.3Å; L333-N336 WeakPolarHBondContact O-CB 3.12Å; L333-N336 PolarHBondContact O-N 3.23Å
334	E	74.3	Confident	66.8	Low	93 Å²	93	72.3 Å²	72.3	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-65.1	-40.2	179.3	-166.2	-176.3	169.6	0	0	111.6	I330 N336 R337 R339	I330-E334 PolarHBondContact O-N 3.49Å; E334-N336 PolarHBondContact O-N 2.83Å; E334-R337 PolarHBondContact O-N 3.18Å; E334-R337 VanDerWaalsContact O-N 3.09Å; E334-R339 IonicContact OE1-NH2 2.86Å; E334-R339 PolarHBondContact OE1-NH2 3.45Å
335	L	78.1	Confident	65.3	Low	46 Å²	46	78.7 Å²	78.7	24%	0.241	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-3.3	173.2	-68.8	174.5	0	0	0	113.9	I319 A331 L333 R350 C351	I319-L335 HydrophobicContact CD1-CD1 3.38Å; I319-L335 HydrophobicContact CG1-CD1 3.99Å; A331-L335 WeakPolarHBondContact O-CG 3.48Å; A331-L335 PolarHBondContact O-N 2.97Å; L333-L335 VanDerWaalsContact C-N 3.35Å; L333-L335 PolarHBondContact O-N 3.02Å; L335-R350 WeakPolarHBondContact O-CA 3.18Å; L335-C351 HydrophobicContact CB-CB 4.14Å; L335-C351 HydrophobicContact CD1-CB 4.37Å; L335-C351 PolarHBondContact O-N 3.33Å
336	N	69.3	Low	63.4	Low	21 Å²	21	81.8 Å²	81.8	11%	0.112	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-16	173.6	-63.9	-40.1	0	0	0	113.3	C332 L333 E334 S338 R354 Y422	C332-N336 PolarHBondContact O-ND2 3.47Å; L333-N336 VanDerWaalsContact O-CB 3.3Å; L333-N336 WeakPolarHBondContact O-CB 3.12Å; L333-N336 PolarHBondContact O-N 3.23Å; E334-N336 PolarHBondContact O-N 2.83Å; N336-S338 PolarHBondContact O-N 2.97Å; N336-R354 PolarHBondContact ND2-NH1 3.28Å; N336-R354 VanDerWaalsContact OD1-CD 3.29Å; N336-R354 WeakPolarHBondContact OD1-CD 3.28Å; N336-R354 PolarHBondContact OD1-NH1 3.19Å; N336-Y422 PolarHBondContact ND2-OH 3.25Å
337	R	63.3	Low	61.8	Low	98 Å²	98	87 Å²	87	37%	0.37	45%	0.446	S	S	.	.			trans	-69.1	129.7	-177.9	-68.9	-174.6	176.2	166.6	3.2	110.7	I256 E334 R339 H573	I256-R337 HydrophobicContact CD1-CG 3.98Å; I256-R337 HydrophobicContact CG1-CG 4.48Å; E334-R337 PolarHBondContact O-N 3.18Å; E334-R337 VanDerWaalsContact O-N 3.09Å; R337-R339 PolarHBondContact O-N 3.31Å; R337-H573 PolarHBondContact NH2-CD2 3.3Å; R337-H573 PolarHBondContact NH2-NE2 2.9Å
338	S	55.7	Low	60.7	Low	73 Å²	73	91 Å²	91	51%	0.51	48%	0.475	S	S	.	.			trans	-71	109.9	163	-67	0	0	0	0	107.7	N336 N340	N336-S338 PolarHBondContact O-N 2.97Å; S338-N340 PolarHBondContact O-N 3.2Å
339	R	51.4	Low	59.7	Low	128 Å²	128	97.1 Å²	97.1	48%	0.483	50%	0.502	S	S	.	.			trans	-76.2	111	171	-72.7	-172.4	176.5	-171.7	-1.9	108.1	E334 R337 R341	E334-R339 IonicContact OE1-NH2 2.86Å; E334-R339 PolarHBondContact OE1-NH2 3.45Å; R337-R339 PolarHBondContact O-N 3.31Å; R339-R341 VanDerWaalsContact C-N 3.31Å; R339-R341 PolarHBondContact O-N 3.09Å
340	N	47.6	Very low	59.4	Low	156 Å²	156	102.9 Å²	102.9	83%	0.834	52%	0.52	S	S	*	.			trans	-63.5	94.1	165.2	-72.9	-17.6	0	0	0	107.9	S338	S338-N340 PolarHBondContact O-N 3.2Å
341	R	43.3	Very low	59.8	Low	144 Å²	144	101.9 Å²	101.9	54%	0.543	52%	0.516	S	S	.	.			trans	-99.3	111.6	166.1	-76.9	-173.3	171.9	-178.2	-4.4	107.5	R339 Q343	R339-R341 VanDerWaalsContact C-N 3.31Å; R339-R341 PolarHBondContact O-N 3.09Å; R341-Q343 PolarHBondContact O-N 2.75Å
342	E	43.9	Very low	60.1	Low	188 Å²	188	103.9 Å²	103.9	88%	0.879	53%	0.527	S	S	*	.	S	Bend	trans	-56.7	131.1	154.6	-64.7	177.2	175.9	0	0	106.6
343	Q	42.2	Very low	60.1	Low	187 Å²	187	103.6 Å²	103.6	87%	0.874	52%	0.524	S	S	*	.	S	Bend	trans	93.8	80.8	-176.8	-50	179.6	8	0	0	116.4	R341 E345	R341-Q343 PolarHBondContact O-N 2.75Å; Q343-E345 PolarHBondContact O-N 3.35Å
344	G	44.9	Very low	60.2	Low	78 Å²	78	105.4 Å²	105.4	80%	0.804	53%	0.529	S	S	*	.	S	Bend		85.1	-29.6	117.6	0	0	0	0	0	120.5
345	E	43.6	Very low	60.7	Low	177 Å²	177	104.5 Å²	104.5	83%	0.827	53%	0.527	S	S	*	.			trans	-125.9	97.7	-175.7	-70.1	-169.1	172.9	0	0	113.5	Q343 K347	Q343-E345 PolarHBondContact O-N 3.35Å; E345-K347 PolarHBondContact O-N 3.08Å
346	S	41.4	Very low	60.9	Low	126 Å²	126	106.1 Å²	106.1	88%	0.881	54%	0.542	S	S	*	.			trans	-74.2	69.5	-173.9	-52.3	0	0	0	0	114.1
347	K	45	Very low	61.7	Low	161 Å²	161	109.3 Å²	109.3	70%	0.7	56%	0.563	S	S	*	*			trans	-90.4	99.5	160.4	-74.2	-172.8	-178.7	177	0	109.3	E345 F349	E345-K347 PolarHBondContact O-N 3.08Å; K347-F349 PolarHBondContact O-N 3.3Å
348	S	51.4	Low	62.8	Low	95 Å²	95	105 Å²	105	66%	0.664	55%	0.548	S	S	*	.			trans	-58.7	110.8	175.7	68.8	0	0	0	0	109.5	R350	S348-R350 PolarHBondContact O-N 3.33Å
349	F	62	Low	64.3	Low	129 Å²	129	102 Å²	102	57%	0.566	53%	0.527	S	S	*	.			trans	-74.9	40.1	-179.6	-117.8	-88.9	0	0	0	112.6	K347	K347-F349 PolarHBondContact O-N 3.3Å
350	R	75.3	Confident	66.1	Low	167 Å²	167	98.4 Å²	98.4	63%	0.63	52%	0.517	S	S	*	.			trans	-79.7	146.8	-178.6	-69.6	-177.8	179.1	-179.8	0.5	110.3	L335 S348 P352	L335-R350 WeakPolarHBondContact O-CA 3.18Å; S348-R350 PolarHBondContact O-N 3.33Å; R350-P352 WeakPolarHBondContact O-CD 3.35Å; R350-P352 VanDerWaalsContact O-N 3.16Å
351	C	83.6	Confident	67.9	Low	10 Å²	10	95.3 Å²	95.3	7%	0.068	50%	0.501	C	S	.	.			trans	-53.7	122.3	170	-178.3	0	0	0	0	109.8	L335 M353 R354	L335-C351 HydrophobicContact CB-CB 4.14Å; L335-C351 HydrophobicContact CD1-CB 4.37Å; L335-C351 PolarHBondContact O-N 3.33Å; C351-M353 PolarHBondContact O-N 3.27Å; C351-R354 HydrophobicContact CB-CB 4.31Å; C351-R354 PolarHBondContact O-N 3.18Å
352	P	82.1	Confident	70.1	Confident	64 Å²	64	89 Å²	89	42%	0.416	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	-176.6	-22.1	30.6	0	0	0	112.9	R350 R354 S415	R350-P352 WeakPolarHBondContact O-CD 3.35Å; R350-P352 VanDerWaalsContact O-N 3.16Å; P352-R354 VanDerWaalsContact C-N 3.34Å; P352-S415 WeakPolarHBondContact O-CB 3.41Å
353	M	83.9	Confident	72.3	Confident	2 Å²	2	80.5 Å²	80.5	1%	0.01	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-16.7	178.2	-48.7	-54	140	0	0	113	N316 C351 N355 S414 S415 G418 C419	N316-M353 HydrophobicContact CB-CG 4.37Å; C351-M353 PolarHBondContact O-N 3.27Å; M353-N355 PolarHBondContact O-N 2.81Å; M353-S414 WeakPolarHBondContact CE-OG 3.48Å; M353-S414 WeakPolarHBondContact SD-CB 3.5Å; M353-S414 PolarHBondContact SD-OG 3.17Å; M353-S414 VanDerWaalsContact SD-OG 3.4Å; M353-S415 PolarHBondContact SD-N 3.36Å; M353-S415 VanDerWaalsContact SD-N 3.37Å; M353-G418 CarbonylContact O-C 3.54Å; M353-G418 VanDerWaalsContact O-C 3.31Å; M353-G418 VanDerWaalsContact O-CA 3.31Å; M353-G418 WeakPolarHBondContact O-CA 3.42Å; M353-C419 HydrophobicContact CB-CB 4.02Å; M353-C419 WeakPolarHBondContact O-CB 3.34Å; M353-C419 PolarHBondContact O-N 3.17Å
354	R	82.7	Confident	74.6	Confident	70 Å²	70	77.1 Å²	77.1	26%	0.264	42%	0.421	S	S	.	.			trans	-91.4	34.5	-177.4	-159.1	-177.2	170.7	-166	-4.3	112.2	E263 N336 C351 P352 S356 Y422	E263-R354 IonicContact OE1-NH2 2.8Å; E263-R354 PolarHBondContact OE1-NH2 3.48Å; N336-R354 PolarHBondContact ND2-NH1 3.28Å; N336-R354 VanDerWaalsContact OD1-CD 3.29Å; N336-R354 WeakPolarHBondContact OD1-CD 3.28Å; N336-R354 PolarHBondContact OD1-NH1 3.19Å; C351-R354 HydrophobicContact CB-CB 4.31Å; C351-R354 PolarHBondContact O-N 3.18Å; P352-R354 VanDerWaalsContact C-N 3.34Å; R354-S356 PolarHBondContact O-N 3.31Å; R354-Y422 HydrophobicContact CG-CD2 3.93Å; R354-Y422 HydrophobicContact CG-CE2 4.31Å; R354-Y422 HydrophobicContact CG-CG 4.32Å
355	N	83.3	Confident	76.6	Confident	74 Å²	74	78 Å²	78	40%	0.396	40%	0.404	S	S	.	.			trans	-65.3	121	171.7	-176.8	-15.9	0	0	0	109.7	M353 T357 A358 V359	M353-N355 PolarHBondContact O-N 2.81Å; N355-T357 VanDerWaalsContact C-N 3.33Å; N355-T357 PolarHBondContact O-N 2.82Å; N355-T357 PolarHBondContact OD1-N 2.72Å; N355-T357 PolarHBondContact OD1-OG1 3.47Å; N355-A358 HydrophobicContact CB-CB 3.99Å; N355-A358 PolarHBondContact O-N 2.78Å; N355-V359 WeakPolarHBondContact O-CB 3.46Å; N355-V359 VanDerWaalsContact O-CG2 3.26Å; N355-V359 WeakPolarHBondContact O-CG2 3.36Å; N355-V359 PolarHBondContact O-N 3.04Å
356	S	83.7	Confident	78.9	Confident	80 Å²	80	69.7 Å²	69.7	56%	0.559	37%	0.365	S	S	*	.	H	α-helix	trans	-56.4	-42.6	-175.5	-177.2	0	0	0	0	112.8	R354 V359 N360	R354-S356 PolarHBondContact O-N 3.31Å; S356-V359 PolarHBondContact O-N 2.91Å; S356-N360 WeakPolarHBondContact O-CB 2.99Å; S356-N360 PolarHBondContact O-N 3.03Å; S356-N360 PolarHBondContact O-ND2 3.41Å; S356-N360 VanDerWaalsContact O-ND2 3.11Å
357	T	86.2	Confident	81.4	Confident	89 Å²	89	63.8 Å²	63.8	55%	0.546	32%	0.324	S	S	.	.	H	α-helix	trans	-67.4	-44.4	-180	55.3	0	0	0	0	111.5	N355 N360 N361	N355-T357 VanDerWaalsContact C-N 3.33Å; N355-T357 PolarHBondContact O-N 2.82Å; N355-T357 PolarHBondContact OD1-N 2.72Å; N355-T357 PolarHBondContact OD1-OG1 3.47Å; T357-N360 PolarHBondContact O-N 2.91Å; T357-N361 PolarHBondContact O-N 2.73Å; T357-N361 PolarHBondContact O-ND2 3.39Å
358	A	85.6	Confident	83.5	Confident	6 Å²	6	57.8 Å²	57.8	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-45.3	176.6	0	0	0	0	0	111.7	N355 N360 N361 L362 H416	N355-A358 HydrophobicContact CB-CB 3.99Å; N355-A358 PolarHBondContact O-N 2.78Å; A358-N360 VanDerWaalsContact C-N 3.34Å; A358-N360 PolarHBondContact O-N 2.95Å; A358-N361 PolarHBondContact O-N 3.42Å; A358-L362 WeakPolarHBondContact O-CB 3.46Å; A358-L362 PolarHBondContact O-N 3.4Å; A358-H416 VanDerWaalsContact CB-O 3.31Å; A358-H416 WeakPolarHBondContact CB-O 3.28Å
359	V	88.1	Confident	85.2	Confident	11 Å²	11	54.6 Å²	54.6	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-42.2	176.6	168.9	0	0	0	0	111.5	N355 S356 L362 S363 C419 A423 K426	N355-V359 WeakPolarHBondContact O-CB 3.46Å; N355-V359 VanDerWaalsContact O-CG2 3.26Å; N355-V359 WeakPolarHBondContact O-CG2 3.36Å; N355-V359 PolarHBondContact O-N 3.04Å; S356-V359 PolarHBondContact O-N 2.91Å; V359-L362 PolarHBondContact O-N 3.34Å; V359-S363 WeakPolarHBondContact O-CB 3.45Å; V359-S363 PolarHBondContact O-N 3.43Å; V359-S363 PolarHBondContact O-OG 2.95Å; V359-C419 HydrophobicContact CG2-CB 4.41Å; V359-A423 HydrophobicContact CG1-CB 4.34Å; V359-K426 HydrophobicContact CG1-CB 4.26Å
360	N	87.4	Confident	86.4	Confident	53 Å²	53	51.6 Å²	51.6	28%	0.283	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-37.7	177.8	-72.8	-27.8	0	0	0	112.7	S356 T357 A358 S363 K364 K426	S356-N360 WeakPolarHBondContact O-CB 2.99Å; S356-N360 PolarHBondContact O-N 3.03Å; S356-N360 PolarHBondContact O-ND2 3.41Å; S356-N360 VanDerWaalsContact O-ND2 3.11Å; T357-N360 PolarHBondContact O-N 2.91Å; A358-N360 VanDerWaalsContact C-N 3.34Å; A358-N360 PolarHBondContact O-N 2.95Å; N360-S363 WeakPolarHBondContact CA-OG 3.48Å; N360-S363 PolarHBondContact O-OG 2.73Å; N360-K364 WeakPolarHBondContact O-CG 3.35Å; N360-K364 PolarHBondContact O-N 3.26Å; N360-K426 VanDerWaalsContact OD1-CE 3.26Å; N360-K426 WeakPolarHBondContact OD1-CE 3.4Å; N360-K426 WeakPolarHBondContact OD1-CG 3.18Å
361	N	87	Confident	87	Confident	91 Å²	91	44.7 Å²	44.7	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-67.6	-46.8	175.5	-71.3	-18.3	0	0	0	110.2	T357 A358 S363 K364 H365	T357-N361 PolarHBondContact O-N 2.73Å; T357-N361 PolarHBondContact O-ND2 3.39Å; A358-N361 PolarHBondContact O-N 3.42Å; N361-S363 VanDerWaalsContact C-N 3.32Å; N361-S363 PolarHBondContact O-N 3.39Å; N361-K364 PolarHBondContact O-N 3.27Å; N361-H365 PolarHBondContact O-CD2 3.22Å; N361-H365 PolarHBondContact O-N 2.95Å
362	L	87.9	Confident	87.3	Confident	11 Å²	11	44.2 Å²	44.2	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-41.1	176.6	-174.7	59.6	0	0	0	111.7	A358 V359 K364 H365 L366 I375 I417 P420 A423	A358-L362 WeakPolarHBondContact O-CB 3.46Å; A358-L362 PolarHBondContact O-N 3.4Å; V359-L362 PolarHBondContact O-N 3.34Å; L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 3.25Å; L362-H365 WeakPolarHBondContact O-CB 3.48Å; L362-H365 PolarHBondContact O-N 3.18Å; L362-H365 VanDerWaalsContact O-N 3.09Å; L362-L366 HydrophobicContact CD1-CG 4.42Å; L362-L366 HydrophobicContact CG-CD1 4.23Å; L362-L366 HydrophobicContact CG-CG 4.34Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.47Å; L362-L366 PolarHBondContact O-N 2.96Å; L362-I375 HydrophobicContact CD1-CD1 3.83Å; L362-I417 WeakPolarHBondContact CB-O 3.47Å; L362-I417 HydrophobicContact CD1-CG2 4.3Å; L362-I417 HydrophobicContact CD2-CG2 4.24Å; L362-P420 HydrophobicContact CD2-CB 4.4Å; L362-P420 HydrophobicContact CD2-CG 4.28Å; L362-A423 HydrophobicContact CB-CB 3.79Å; L362-A423 HydrophobicContact CD2-CB 3.6Å; L362-A423 HydrophobicContact CG-CB 3.59Å
363	S	91.6	Very high	87.8	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-36.9	179	65.4	0	0	0	0	112.7	V359 N360 N361 L366 L367 A423	V359-S363 WeakPolarHBondContact O-CB 3.45Å; V359-S363 PolarHBondContact O-N 3.43Å; V359-S363 PolarHBondContact O-OG 2.95Å; N360-S363 WeakPolarHBondContact CA-OG 3.48Å; N360-S363 PolarHBondContact O-OG 2.73Å; N361-S363 VanDerWaalsContact C-N 3.32Å; N361-S363 PolarHBondContact O-N 3.39Å; S363-L366 PolarHBondContact O-N 3.28Å; S363-L367 WeakPolarHBondContact O-CG 3.43Å; S363-L367 PolarHBondContact O-N 3.4Å; S363-L367 VanDerWaalsContact O-N 3.09Å; S363-A423 WeakPolarHBondContact CB-O 3.47Å
364	K	89.4	Confident	87.9	Confident	117 Å²	117	48.4 Å²	48.4	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-41.3	174.6	-68.7	174.5	-177.5	177.6	0	111.5	N360 N361 L362 L367 I368	N360-K364 WeakPolarHBondContact O-CG 3.35Å; N360-K364 PolarHBondContact O-N 3.26Å; N361-K364 PolarHBondContact O-N 3.27Å; L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 3.25Å; K364-L367 PolarHBondContact O-N 2.91Å; K364-I368 WeakPolarHBondContact O-CG1 3.43Å; K364-I368 PolarHBondContact O-N 3.43Å
365	H	88.5	Confident	88.1	Confident	97 Å²	97	46.2 Å²	46.2	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-39.2	175.5	-76.6	-70.9	0	0	0	112.8	N361 L362 I368	N361-H365 PolarHBondContact O-CD2 3.22Å; N361-H365 PolarHBondContact O-N 2.95Å; L362-H365 WeakPolarHBondContact O-CB 3.48Å; L362-H365 PolarHBondContact O-N 3.18Å; L362-H365 VanDerWaalsContact O-N 3.09Å; H365-I368 PolarHBondContact O-N 2.85Å
366	L	91.9	Very high	88.4	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-44.9	177	-65.3	177.3	0	0	0	111.3	L362 S363 I368 G369 N370 A372 I375 A423 N424	L362-L366 HydrophobicContact CD1-CG 4.42Å; L362-L366 HydrophobicContact CG-CD1 4.23Å; L362-L366 HydrophobicContact CG-CG 4.34Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.47Å; L362-L366 PolarHBondContact O-N 2.96Å; S363-L366 PolarHBondContact O-N 3.28Å; L366-I368 PolarHBondContact O-N 3.21Å; L366-I368 VanDerWaalsContact O-N 3.11Å; L366-G369 PolarHBondContact O-N 2.75Å; L366-G369 VanDerWaalsContact O-N 3.08Å; L366-N370 WeakPolarHBondContact CD2-O 3.4Å; L366-A372 HydrophobicContact CD1-CB 4.16Å; L366-A372 HydrophobicContact CD2-CB 3.82Å; L366-I375 HydrophobicContact CD2-CD1 3.9Å; L366-A423 HydrophobicContact CD1-CB 3.71Å; L366-N424 WeakPolarHBondContact CD1-OD1 3.14Å
367	L	92.2	Very high	88.6	Confident	2 Å²	2	41 Å²	41	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-57.2	-27.1	178.8	-79.5	166.8	0	0	0	114.3	I179 T303 I304 I305 S363 K364 L430 A431	I179-L367 HydrophobicContact CD1-CD1 3.91Å; I179-L367 HydrophobicContact CG2-CB 4.31Å; T303-L367 WeakPolarHBondContact CA-O 3.1Å; T303-L367 HydrophobicContact CG2-CB 4.26Å; T303-L367 HydrophobicContact CG2-CD2 4.24Å; I304-L367 PolarHBondContact N-O 2.9Å; I304-L367 VanDerWaalsContact N-O 3.08Å; I304-L367 WeakPolarHBondContact O-CA 3.31Å; I305-L367 HydrophobicContact CD1-CD2 3.85Å; I305-L367 HydrophobicContact CD1-CG 4.19Å; I305-L367 HydrophobicContact CG1-CD2 3.97Å; I305-L367 HydrophobicContact CG1-CG 4.42Å; S363-L367 WeakPolarHBondContact O-CG 3.43Å; S363-L367 PolarHBondContact O-N 3.4Å; S363-L367 VanDerWaalsContact O-N 3.09Å; K364-L367 PolarHBondContact O-N 2.91Å; L367-L430 HydrophobicContact CD1-CB 4.08Å; L367-L430 HydrophobicContact CD1-CD1 4.46Å; L367-L430 HydrophobicContact CD2-CB 4.29Å; L367-A431 HydrophobicContact CD2-CB 3.91Å
368	I	89.9	Confident	88.5	Confident	34 Å²	34	40 Å²	40	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-73.4	-31.6	-179.6	-66.7	163.8	0	0	0	111.5	I179 K180 K364 H365 L366	I179-I368 HydrophobicContact CG2-CG1 3.95Å; K180-I368 PolarHBondContact NZ-O 3.24Å; K364-I368 WeakPolarHBondContact O-CG1 3.43Å; K364-I368 PolarHBondContact O-N 3.43Å; H365-I368 PolarHBondContact O-N 2.85Å; L366-I368 PolarHBondContact O-N 3.21Å; L366-I368 VanDerWaalsContact O-N 3.11Å
369	G	86.5	Confident	88.4	Confident	28 Å²	28	40.5 Å²	40.5	29%	0.289	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	149.9	-13.2	-174.4	0	0	0	0	0	115.7	I304 L366	I304-G369 VanDerWaalsContact CG2-CA 3.49Å; L366-G369 PolarHBondContact O-N 2.75Å; L366-G369 VanDerWaalsContact O-N 3.08Å
370	N	87.2	Confident	88.3	Confident	66 Å²	66	42.3 Å²	42.3	35%	0.353	23%	0.228	S	C	.	.			trans	-76	135.2	-173.8	-67.5	-19	0	0	0	111.5	L366	L366-N370 WeakPolarHBondContact CD2-O 3.4Å
371	S	89.1	Confident	87.9	Confident	22 Å²	22	44.5 Å²	44.5	15%	0.154	24%	0.239	C	C	.	.			trans	-82.4	124.7	-179.5	179.6	0	0	0	0	111.8	Q306 L373 N374 I375	Q306-S371 PolarHBondContact OE1-OG 3.26Å; S371-L373 PolarHBondContact O-N 3.1Å; S371-L373 PolarHBondContact OG-N 2.89Å; S371-N374 PolarHBondContact O-N 3.47Å; S371-I375 WeakPolarHBondContact O-CG1 3.32Å; S371-I375 PolarHBondContact O-N 3.14Å
372	A	90	Very high	87.2	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-28.9	172.5	0	0	0	0	0	112.7	L313 L366 T376 P420	L313-A372 HydrophobicContact CD2-CB 3.93Å; L366-A372 HydrophobicContact CD1-CB 4.16Å; L366-A372 HydrophobicContact CD2-CB 3.82Å; A372-T376 WeakPolarHBondContact O-CB 3.49Å; A372-T376 PolarHBondContact O-N 3.27Å; A372-T376 PolarHBondContact O-OG1 3.44Å; A372-P420 HydrophobicContact CB-CB 4.2Å
373	L	91.1	Very high	86.3	Confident	53 Å²	53	47 Å²	47	28%	0.277	24%	0.242	S	C	.	.	H	α-helix	trans	-71.5	-41.5	-179.9	-162.6	144.2	0	0	0	111.1	H282 S371 T376 S377	H282-L373 HydrophobicContact CB-CD1 4.24Å; S371-L373 PolarHBondContact O-N 3.1Å; S371-L373 PolarHBondContact OG-N 2.89Å; L373-T376 PolarHBondContact O-N 3.05Å; L373-S377 PolarHBondContact O-N 2.8Å; L373-S377 PolarHBondContact O-OG 3.46Å
374	N	86.9	Confident	84.9	Confident	101 Å²	101	49.8 Å²	49.8	54%	0.54	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-40.2	175.4	-68.6	-0.7	0	0	0	112	S371 T376 S377 T378	S371-N374 PolarHBondContact O-N 3.47Å; N374-T376 VanDerWaalsContact C-N 3.31Å; N374-S377 PolarHBondContact O-OG 3.01Å; N374-T378 PolarHBondContact O-N 3.23Å; N374-T378 VanDerWaalsContact O-N 3.09Å; N374-T378 PolarHBondContact O-OG1 3.15Å
375	I	86.9	Confident	83.2	Confident	23 Å²	23	47.5 Å²	47.5	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-41.2	174.8	-64	172.1	0	0	0	109.9	L362 L366 S371 T378 I379 I417	L362-I375 HydrophobicContact CD1-CD1 3.83Å; L366-I375 HydrophobicContact CD2-CD1 3.9Å; S371-I375 WeakPolarHBondContact O-CG1 3.32Å; S371-I375 PolarHBondContact O-N 3.14Å; I375-T378 WeakPolarHBondContact CA-OG1 3.45Å; I375-T378 PolarHBondContact O-OG1 3.29Å; I375-I379 HydrophobicContact CG2-CD1 3.82Å; I375-I379 WeakPolarHBondContact O-CD1 3.48Å; I375-I379 WeakPolarHBondContact O-CG1 3.38Å; I375-I379 PolarHBondContact O-N 3.21Å; I375-I379 VanDerWaalsContact O-N 3.16Å; I375-I417 HydrophobicContact CG2-CG2 4.22Å
376	T	89.6	Confident	81.3	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-44.6	179.2	-55.4	0	0	0	0	112	L312 T315 A372 L373 N374 I379 R380	L312-T376 VanDerWaalsContact O-CG2 3.28Å; L312-T376 WeakPolarHBondContact O-CG2 3.39Å; T315-T376 HydrophobicContact CG2-CG2 4.02Å; A372-T376 WeakPolarHBondContact O-CB 3.49Å; A372-T376 PolarHBondContact O-N 3.27Å; A372-T376 PolarHBondContact O-OG1 3.44Å; L373-T376 PolarHBondContact O-N 3.05Å; N374-T376 VanDerWaalsContact C-N 3.31Å; T376-I379 PolarHBondContact O-N 2.72Å; T376-R380 HydrophobicContact CG2-CG 4.25Å; T376-R380 WeakPolarHBondContact O-CG 3.25Å; T376-R380 PolarHBondContact O-N 3.05Å
377	S	86.8	Confident	79.1	Confident	43 Å²	43	54.1 Å²	54.1	30%	0.301	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-47.3	179.5	60.4	0	0	0	0	111.3	L373 N374 I379 R380 D381	L373-S377 PolarHBondContact O-N 2.8Å; L373-S377 PolarHBondContact O-OG 3.46Å; N374-S377 PolarHBondContact O-OG 3.01Å; S377-I379 VanDerWaalsContact C-N 3.3Å; S377-I379 PolarHBondContact O-N 3.49Å; S377-R380 PolarHBondContact O-N 3.26Å; S377-R380 VanDerWaalsContact O-N 3.09Å; S377-D381 WeakPolarHBondContact O-CB 3.25Å; S377-D381 VanDerWaalsContact O-CG 3.22Å; S377-D381 PolarHBondContact O-N 3.42Å
378	T	84.3	Confident	76.4	Confident	70 Å²	70	58.6 Å²	58.6	43%	0.429	33%	0.331	S	S	.	.	H	α-helix	trans	-58.6	-38.3	176.5	39.1	0	0	0	0	113.1	N374 I375 R382	N374-T378 PolarHBondContact O-N 3.23Å; N374-T378 VanDerWaalsContact O-N 3.09Å; N374-T378 PolarHBondContact O-OG1 3.15Å; I375-T378 WeakPolarHBondContact CA-OG1 3.45Å; I375-T378 PolarHBondContact O-OG1 3.29Å; T378-R382 PolarHBondContact O-N 3.42Å
379	I	84.8	Confident	73.6	Confident	16 Å²	16	66 Å²	66	8%	0.082	36%	0.362	C	S	.	.	H	α-helix	trans	-68.3	-42.5	174.9	-66.6	164.9	0	0	0	111.5	T315 I375 T376 S377 I417	T315-I379 HydrophobicContact CG2-CB 4.16Å; T315-I379 HydrophobicContact CG2-CD1 3.85Å; T315-I379 HydrophobicContact CG2-CG2 3.89Å; I375-I379 HydrophobicContact CG2-CD1 3.82Å; I375-I379 WeakPolarHBondContact O-CD1 3.48Å; I375-I379 WeakPolarHBondContact O-CG1 3.38Å; I375-I379 PolarHBondContact O-N 3.21Å; I375-I379 VanDerWaalsContact O-N 3.16Å; T376-I379 PolarHBondContact O-N 2.72Å; S377-I379 VanDerWaalsContact C-N 3.3Å; S377-I379 PolarHBondContact O-N 3.49Å; I379-I417 HydrophobicContact CD1-CD1 3.66Å; I379-I417 HydrophobicContact CD1-CG2 4.16Å; I379-I417 HydrophobicContact CG1-CD1 3.93Å
380	R	85.7	Confident	70.9	Confident	49 Å²	49	69.8 Å²	69.8	19%	0.185	38%	0.384	C	S	.	.	H	α-helix	trans	-69	-41.4	-179.1	-73.2	179	179.9	-178.2	-0.9	112.4	H311 L312 C314 F320 T376 S377 R382 K383 S384	H311-R380 PolarHBondContact O-NH1 3.5Å; H311-R380 PolarHBondContact O-NH2 3.44Å; L312-R380 PolarHBondContact O-NH1 3.45Å; L312-R380 PolarHBondContact O-NH2 3.48Å; C314-R380 VanDerWaalsContact O-CZ 3.25Å; C314-R380 PolarHBondContact O-NE 3.5Å; C314-R380 PolarHBondContact O-NH2 3.06Å; F320-R380 HydrophobicContact CE1-CG 4.32Å; F320-R380 HydrophobicContact CZ-CG 4.48Å; T376-R380 HydrophobicContact CG2-CG 4.25Å; T376-R380 WeakPolarHBondContact O-CG 3.25Å; T376-R380 PolarHBondContact O-N 3.05Å; S377-R380 PolarHBondContact O-N 3.26Å; S377-R380 VanDerWaalsContact O-N 3.09Å; R380-R382 VanDerWaalsContact C-N 3.34Å; R380-R382 PolarHBondContact O-N 3.36Å; R380-K383 PolarHBondContact O-N 3.44Å; R380-K383 VanDerWaalsContact O-N 3.11Å; R380-S384 PolarHBondContact O-N 3.03Å; R380-S384 VanDerWaalsContact O-N 3.14Å
381	D	79.6	Confident	68	Low	98 Å²	98	72.3 Å²	72.3	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-67.4	-32.6	-177.2	-67.3	-23.5	0	0	0	112.7	S377 K383 S384 S385	S377-D381 WeakPolarHBondContact O-CB 3.25Å; S377-D381 VanDerWaalsContact O-CG 3.22Å; S377-D381 PolarHBondContact O-N 3.42Å; D381-K383 VanDerWaalsContact C-N 3.32Å; D381-K383 PolarHBondContact O-N 3.08Å; D381-S384 PolarHBondContact O-N 3.19Å; D381-S384 PolarHBondContact O-OG 3.48Å; D381-S385 WeakPolarHBondContact O-CB 3.27Å; D381-S385 PolarHBondContact O-N 3Å; D381-S385 VanDerWaalsContact O-N 3.12Å; D381-S385 PolarHBondContact O-OG 3.41Å
382	R	72	Confident	65.1	Low	120 Å²	120	76.4 Å²	76.4	45%	0.453	43%	0.431	S	S	.	.	H	α-helix	trans	-67.2	-31.7	172.5	-74.5	-172.7	-179.4	-167.3	1.7	112.8	T378 R380 S385	T378-R382 PolarHBondContact O-N 3.42Å; R380-R382 VanDerWaalsContact C-N 3.34Å; R380-R382 PolarHBondContact O-N 3.36Å; R382-S385 PolarHBondContact O-OG 3.34Å
383	K	69	Low	62.2	Low	36 Å²	36	82.8 Å²	82.8	16%	0.157	47%	0.469	C	S	.	.	H	α-helix	trans	-73.5	-38.3	176	-67.8	-173.6	179.6	-175.4	0	111.9	T315 R380 D381 S414	T315-K383 PolarHBondContact O-NZ 2.89Å; R380-K383 PolarHBondContact O-N 3.44Å; R380-K383 VanDerWaalsContact O-N 3.11Å; D381-K383 VanDerWaalsContact C-N 3.32Å; D381-K383 PolarHBondContact O-N 3.08Å; K383-S414 PolarHBondContact NZ-OG 2.87Å
384	S	61.1	Low	59.3	Low	67 Å²	67	88.4 Å²	88.4	47%	0.469	50%	0.499	S	S	.	.	H	α-helix	trans	-72.2	-41.4	-179.7	66.4	0	0	0	0	113.1	R380 D381 K386 S387	R380-S384 PolarHBondContact O-N 3.03Å; R380-S384 VanDerWaalsContact O-N 3.14Å; D381-S384 PolarHBondContact O-N 3.19Å; D381-S384 PolarHBondContact O-OG 3.48Å; S384-K386 VanDerWaalsContact C-N 3.35Å; S384-K386 PolarHBondContact O-N 3.11Å; S384-S387 PolarHBondContact O-N 3.47Å
385	S	54.5	Low	56.6	Low	68 Å²	68	88.5 Å²	88.5	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-26	-174.3	48.6	0	0	0	0	115.2	D381 R382	D381-S385 WeakPolarHBondContact O-CB 3.27Å; D381-S385 PolarHBondContact O-N 3Å; D381-S385 VanDerWaalsContact O-N 3.12Å; D381-S385 PolarHBondContact O-OG 3.41Å; R382-S385 PolarHBondContact O-OG 3.34Å
386	K	47.9	Very low	53.7	Low	143 Å²	143	95.4 Å²	95.4	62%	0.622	54%	0.544	S	S	*	.	H	α-helix	trans	-80.8	-29	176.3	-71.3	-174.5	-177.1	176.6	0	113.8	S384 S388 D410	S384-K386 VanDerWaalsContact C-N 3.35Å; S384-K386 PolarHBondContact O-N 3.11Å; K386-S388 PolarHBondContact O-N 2.95Å; K386-D410 IonicContact NZ-OD1 3.72Å; K386-D410 PolarHBondContact NZ-OD1 2.87Å
387	S	45.2	Very low	50.9	Low	96 Å²	96	100.5 Å²	100.5	67%	0.671	58%	0.58	S	S	*	*	H	α-helix	trans	-62.6	-24.9	179.2	-170.9	0	0	0	0	112.7	S384	S384-S387 PolarHBondContact O-N 3.47Å
388	S	36.7	Very low	48	Very low	96 Å²	96	104.2 Å²	104.2	67%	0.671	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-3.5	-171.2	-45.5	0	0	0	0	115.8	K386	K386-S388 PolarHBondContact O-N 2.95Å
389	K	30	Very low	45.4	Very low	190 Å²	190	110 Å²	110	83%	0.826	63%	0.626	S	S	*	*			trans	-98	15	-174.2	-86.6	-173.5	177.6	179.5	0	115.7	T391	K389-T391 VanDerWaalsContact C-N 3.32Å; K389-T391 PolarHBondContact O-N 3.35Å
390	S	30.3	Very low	42.6	Very low	106 Å²	106	119 Å²	119	74%	0.741	67%	0.667	S	S	*	*			trans	-90.1	51	173.4	58.3	0	0	0	0	113.2
391	T	26.5	Very low	39.7	Very low	120 Å²	120	122.4 Å²	122.4	74%	0.736	70%	0.697	S	S	*	*	S	Bend	trans	-149.8	106.1	166.8	12.7	0	0	0	0	111.3	K389	K389-T391 VanDerWaalsContact C-N 3.32Å; K389-T391 PolarHBondContact O-N 3.35Å
392	S	27.6	Very low	37.2	Very low	108 Å²	108	127 Å²	127	76%	0.755	72%	0.716	S	S	*	*			trans	53.1	111	155.6	66.2	0	0	0	0	119.2
393	V	30	Very low	35.1	Very low	135 Å²	135	130.8 Å²	130.8	82%	0.818	74%	0.735	S	S	*	*				-151.4	118.1	124.7	179.8	0	0	0	0	108.5
394	L	29.2	Very low	33.2	Very low	170 Å²	170	136 Å²	136	89%	0.89	77%	0.765	S	S	*	*			trans	-69.3	122.6	164.2	-70.5	122.7	0	0	0	109.3
395	S	30.2	Very low	31.6	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	79%	0.785	S	S	*	*			trans	-152.5	117.6	151.9	52.2	0	0	0	0	110.9	S397	S395-S397 PolarHBondContact O-N 3.3Å
396	N	27.2	Very low	30.7	Very low	167 Å²	167	147.3 Å²	147.3	89%	0.893	80%	0.8	S	S	*	*			trans	-63.2	118.8	175.4	-68.9	-32.2	0	0	0	110.4
397	S	30.8	Very low	30.1	Very low	108 Å²	108	147.8 Å²	147.8	76%	0.755	81%	0.809	S	S	*	*			trans	-147.4	94.2	149.4	60.9	0	0	0	0	109.1	S395 K399	S395-S397 PolarHBondContact O-N 3.3Å; S397-K399 PolarHBondContact O-N 3.05Å; S397-K399 VanDerWaalsContact O-N 3.09Å
398	S	25.5	Very low	29.8	Very low	122 Å²	122	149.1 Å²	149.1	85%	0.853	81%	0.808	S	S	*	*			trans	-52.4	101.1	163.9	41.8	0	0	0	0	111
399	K	28.9	Very low	30.3	Very low	192 Å²	192	149 Å²	149	84%	0.835	80%	0.8	S	S	*	*			trans	-139.7	121.6	150.4	-74.8	-166.9	177.7	178.1	0	108.2	S397 C401	S397-K399 PolarHBondContact O-N 3.05Å; S397-K399 VanDerWaalsContact O-N 3.09Å; K399-C401 PolarHBondContact O-N 3.48Å
400	E	26.3	Very low	31.2	Very low	203 Å²	203	144 Å²	144	95%	0.949	78%	0.783	S	S	*	*			trans	-59.1	97.4	178.6	-65.8	165.8	141.4	0	0	110.1
401	C	26	Very low	32.1	Very low	122 Å²	122	142.9 Å²	142.9	82%	0.824	77%	0.771	S	S	*	*			trans	-114	118.2	155	-80.5	0	0	0	0	107.2	K399	K399-C401 PolarHBondContact O-N 3.48Å
402	Q	25.5	Very low	33.4	Very low	195 Å²	195	139.7 Å²	139.7	91%	0.911	75%	0.748	S	S	*	*			trans	-57.8	142.9	-175.1	-74.3	168.4	-15.8	0	0	111.6	D404	Q402-D404 PolarHBondContact O-N 3.45Å
403	K	29.1	Very low	34.8	Very low	199 Å²	199	138 Å²	138	87%	0.865	73%	0.73	S	S	*	*			trans	-65.3	112.2	-175.1	-64.6	164.4	173.2	174.8	0	110.7
404	D	28.4	Very low	36.1	Very low	144 Å²	144	131.7 Å²	131.7	77%	0.77	69%	0.692	S	S	*	*			trans	-149	47.4	156.9	-88.8	-38.8	0	0	0	110.1	Q402 K406	Q402-D404 PolarHBondContact O-N 3.45Å; D404-K406 PolarHBondContact O-N 3.25Å
405	E	28.9	Very low	37.8	Very low	191 Å²	191	124.9 Å²	124.9	89%	0.893	66%	0.658	S	S	*	*			trans	-77.6	74.6	164.2	-78.9	-173.2	151	0	0	109.5	N407	E405-N407 PolarHBondContact O-N 2.84Å
406	K	34.2	Very low	39.7	Very low	183 Å²	183	124.2 Å²	124.2	80%	0.796	64%	0.644	S	S	*	*			trans	-80.2	109.2	163.7	-77.4	-177.8	179.2	174.3	0	108.4	D404 L408	D404-K406 PolarHBondContact O-N 3.25Å; K406-L408 PolarHBondContact O-N 3.09Å
407	N	35.4	Very low	42.2	Very low	152 Å²	152	118 Å²	118	81%	0.813	61%	0.61	S	S	*	*			trans	-52.5	94.7	172.9	-72	-47.8	0	0	0	111.2	E405 N409	E405-N407 PolarHBondContact O-N 2.84Å; N407-N409 PolarHBondContact O-N 3.06Å
408	L	39.9	Very low	44.8	Very low	125 Å²	125	112.9 Å²	112.9	65%	0.654	57%	0.574	S	S	*	*			trans	-70.1	117.2	173.5	-164.9	75.8	0	0	0	108.6	K406 D410	K406-L408 PolarHBondContact O-N 3.09Å; L408-D410 PolarHBondContact O-N 3.42Å
409	N	45.7	Very low	48	Very low	92 Å²	92	107.5 Å²	107.5	49%	0.492	54%	0.537	S	S	.	.			trans	-67.2	111.6	-173.8	-75.2	-29.6	0	0	0	111.5	N407 T411 Q412	N407-N409 PolarHBondContact O-N 3.06Å; N409-T411 PolarHBondContact O-N 3.35Å; N409-Q412 WeakPolarHBondContact O-CB 3.29Å; N409-Q412 WeakPolarHBondContact O-CG 3.43Å; N409-Q412 PolarHBondContact O-N 3.36Å
410	D	49.9	Very low	51	Low	87 Å²	87	98.4 Å²	98.4	47%	0.465	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-19.4	-174.8	-75.6	-47.4	0	0	0	115.5	K386 L408 Q412 L413	K386-D410 IonicContact NZ-OD1 3.72Å; K386-D410 PolarHBondContact NZ-OD1 2.87Å; L408-D410 PolarHBondContact O-N 3.42Å; D410-Q412 PolarHBondContact O-N 3.49Å; D410-L413 PolarHBondContact O-N 2.69Å
411	T	49.8	Very low	54.2	Low	81 Å²	81	89.5 Å²	89.5	50%	0.497	46%	0.455	S	S	.	.	H	α-helix	trans	-56.3	-31.4	174.2	-12.1	0	0	0	0	112.2	N409 S414 S415	N409-T411 PolarHBondContact O-N 3.35Å; T411-S414 PolarHBondContact O-OG 2.95Å; T411-S415 PolarHBondContact O-OG 2.55Å
412	Q	52.9	Low	57.4	Low	54 Å²	54	84.5 Å²	84.5	25%	0.252	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-40.5	-178.4	-67.7	174.6	-25	0	0	112.9	I222 N409 D410 S414 S415 H416	I222-Q412 PolarHBondContact O-NE2 2.98Å; N409-Q412 WeakPolarHBondContact O-CB 3.29Å; N409-Q412 WeakPolarHBondContact O-CG 3.43Å; N409-Q412 PolarHBondContact O-N 3.36Å; D410-Q412 PolarHBondContact O-N 3.49Å; Q412-S414 VanDerWaalsContact C-N 3.35Å; Q412-S414 PolarHBondContact O-N 2.99Å; Q412-S415 PolarHBondContact O-N 3.36Å; Q412-S415 PolarHBondContact O-OG 2.9Å; Q412-H416 PolarHBondContact O-CD2 2.74Å
413	L	56.6	Low	60.5	Low	72 Å²	72	75.2 Å²	75.2	38%	0.377	38%	0.375	S	S	.	.	H	α-helix	trans	-61.3	-44.1	-176.3	-176.9	66.5	0	0	0	111.8	I215 D410 S415 H416	I215-L413 HydrophobicContact CG2-CD1 3.87Å; I215-L413 HydrophobicContact CG2-CD2 4.44Å; D410-L413 PolarHBondContact O-N 2.69Å; L413-S415 VanDerWaalsContact C-N 3.34Å; L413-S415 PolarHBondContact O-N 3.2Å; L413-H416 PolarHBondContact O-N 3.44Å
414	S	58.3	Low	63.6	Low	3 Å²	3	65.9 Å²	65.9	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-71.1	-27	-177.6	43.1	0	0	0	0	113.3	M353 K383 T411 Q412 H416 I417	M353-S414 WeakPolarHBondContact CE-OG 3.48Å; M353-S414 WeakPolarHBondContact SD-CB 3.5Å; M353-S414 PolarHBondContact SD-OG 3.17Å; M353-S414 VanDerWaalsContact SD-OG 3.4Å; K383-S414 PolarHBondContact NZ-OG 2.87Å; T411-S414 PolarHBondContact O-OG 2.95Å; Q412-S414 VanDerWaalsContact C-N 3.35Å; Q412-S414 PolarHBondContact O-N 2.99Å; S414-H416 VanDerWaalsContact C-N 3.32Å; S414-H416 PolarHBondContact O-N 2.84Å; S414-I417 PolarHBondContact O-N 2.92Å
415	S	63.9	Low	66.6	Low	26 Å²	26	59.9 Å²	59.9	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-69.8	-26.7	179.1	40.1	0	0	0	0	113.8	P352 M353 T411 Q412 L413	P352-S415 WeakPolarHBondContact O-CB 3.41Å; M353-S415 PolarHBondContact SD-N 3.36Å; M353-S415 VanDerWaalsContact SD-N 3.37Å; T411-S415 PolarHBondContact O-OG 2.55Å; Q412-S415 PolarHBondContact O-N 3.36Å; Q412-S415 PolarHBondContact O-OG 2.9Å; L413-S415 VanDerWaalsContact C-N 3.34Å; L413-S415 PolarHBondContact O-N 3.2Å
416	H	70.5	Confident	69.5	Low	91 Å²	91	56 Å²	56	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-75.1	-29.7	178.7	-67.2	-67.1	0	0	0	113.6	A358 Q412 L413 S414	A358-H416 VanDerWaalsContact CB-O 3.31Å; A358-H416 WeakPolarHBondContact CB-O 3.28Å; Q412-H416 PolarHBondContact O-CD2 2.74Å; L413-H416 PolarHBondContact O-N 3.44Å; S414-H416 VanDerWaalsContact C-N 3.32Å; S414-H416 PolarHBondContact O-N 2.84Å
417	I	79.4	Confident	72.2	Confident	36 Å²	36	47.3 Å²	47.3	19%	0.185	24%	0.244	C	C	.	.	H	α-helix	trans	-74.7	-32.1	178.6	-60.4	170.8	0	0	0	110.4	L362 I375 I379 S414	L362-I417 WeakPolarHBondContact CB-O 3.47Å; L362-I417 HydrophobicContact CD1-CG2 4.3Å; L362-I417 HydrophobicContact CD2-CG2 4.24Å; I375-I417 HydrophobicContact CG2-CG2 4.22Å; I379-I417 HydrophobicContact CD1-CD1 3.66Å; I379-I417 HydrophobicContact CD1-CG2 4.16Å; I379-I417 HydrophobicContact CG1-CD1 3.93Å; S414-I417 PolarHBondContact O-N 2.92Å
418	G	86.1	Confident	74.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.			trans	85.2	165.5	-174.3	0	0	0	0	0	112.5	M353 P420	M353-G418 CarbonylContact O-C 3.54Å; M353-G418 VanDerWaalsContact O-C 3.31Å; M353-G418 VanDerWaalsContact O-CA 3.31Å; M353-G418 WeakPolarHBondContact O-CA 3.42Å; G418-P420 VanDerWaalsContact O-CD 3.29Å; G418-P420 WeakPolarHBondContact O-CD 3.49Å
419	C	91.7	Very high	77.3	Confident	10 Å²	10	35.6 Å²	35.6	7%	0.068	18%	0.184	C	C	.	.			trans	-78.2	117.2	-174.8	-179.1	0	0	0	0	110.5	M353 V359 Y421 Y422 A423	M353-C419 HydrophobicContact CB-CB 4.02Å; M353-C419 WeakPolarHBondContact O-CB 3.34Å; M353-C419 PolarHBondContact O-N 3.17Å; V359-C419 HydrophobicContact CG2-CB 4.41Å; C419-Y421 VanDerWaalsContact C-N 3.27Å; C419-Y421 PolarHBondContact O-N 2.8Å; C419-Y422 HydrophobicContact CB-CD2 4.05Å; C419-Y422 PolarHBondContact O-N 2.88Å; C419-A423 WeakPolarHBondContact O-CB 3.39Å; C419-A423 PolarHBondContact O-N 2.72Å
420	P	92.7	Very high	79.6	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-36	-178.5	-25.3	35.6	0	0	0	113.5	L313 T315 L362 A372 G418 A423 N424	L313-P420 HydrophobicContact CB-CB 4.39Å; T315-P420 HydrophobicContact CG2-CG 3.99Å; L362-P420 HydrophobicContact CD2-CB 4.4Å; L362-P420 HydrophobicContact CD2-CG 4.28Å; A372-P420 HydrophobicContact CB-CB 4.2Å; G418-P420 VanDerWaalsContact O-CD 3.29Å; G418-P420 WeakPolarHBondContact O-CD 3.49Å; P420-A423 PolarHBondContact O-N 3.14Å; P420-N424 PolarHBondContact O-N 3.17Å
421	Y	93.5	Very high	81.7	Confident	15 Å²	15	28.4 Å²	28.4	6%	0.059	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-49.2	177.1	174.4	-96.5	0	0	0	112.6	R310 L313 C419 A423 N424 R425 T449	R310-Y421 HydrophobicContact CB-CD2 4.49Å; R310-Y421 HydrophobicContact CG-CD1 3.94Å; R310-Y421 HydrophobicContact CG-CD2 3.61Å; R310-Y421 HydrophobicContact CG-CE1 3.85Å; R310-Y421 HydrophobicContact CG-CE2 3.51Å; R310-Y421 HydrophobicContact CG-CG 3.81Å; R310-Y421 VanDerWaalsContact NE-CZ 3.26Å; R310-Y421 PolarHBondContact NE-OH 2.74Å; R310-Y421 PolarHBondContact NH2-OH 2.91Å; L313-Y421 HydrophobicContact CD1-CD2 4.46Å; C419-Y421 VanDerWaalsContact C-N 3.27Å; C419-Y421 PolarHBondContact O-N 2.8Å; Y421-A423 VanDerWaalsContact C-N 3.35Å; Y421-N424 WeakPolarHBondContact O-CB 3.36Å; Y421-N424 PolarHBondContact O-N 3.18Å; Y421-R425 PolarHBondContact O-N 3.43Å; Y421-T449 PolarHBondContact OH-O 3.27Å
422	Y	92.2	Very high	83.9	Confident	17 Å²	17	24.8 Å²	24.8	7%	0.067	12%	0.123	C	C	.	.	H	α-helix	trans	-73.6	-28.5	178.7	-74.3	-70.3	0	0	0	112.3	N336 R354 C419 R425 K426	N336-Y422 PolarHBondContact ND2-OH 3.25Å; R354-Y422 HydrophobicContact CG-CD2 3.93Å; R354-Y422 HydrophobicContact CG-CE2 4.31Å; R354-Y422 HydrophobicContact CG-CG 4.32Å; C419-Y422 HydrophobicContact CB-CD2 4.05Å; C419-Y422 PolarHBondContact O-N 2.88Å; Y422-R425 PolarHBondContact O-N 3.05Å; Y422-K426 VanDerWaalsContact O-CB 3.32Å; Y422-K426 WeakPolarHBondContact O-CB 3.45Å; Y422-K426 PolarHBondContact O-N 2.8Å
423	A	91.7	Very high	86	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-42.4	173.2	0	0	0	0	0	111.9	V359 L362 S363 L366 C419 P420 Y421 K426 G427	V359-A423 HydrophobicContact CG1-CB 4.34Å; L362-A423 HydrophobicContact CB-CB 3.79Å; L362-A423 HydrophobicContact CD2-CB 3.6Å; L362-A423 HydrophobicContact CG-CB 3.59Å; S363-A423 WeakPolarHBondContact CB-O 3.47Å; L366-A423 HydrophobicContact CD1-CB 3.71Å; C419-A423 WeakPolarHBondContact O-CB 3.39Å; C419-A423 PolarHBondContact O-N 2.72Å; P420-A423 PolarHBondContact O-N 3.14Å; Y421-A423 VanDerWaalsContact C-N 3.35Å; A423-K426 PolarHBondContact O-N 2.85Å; A423-G427 PolarHBondContact O-N 2.99Å
424	N	93.3	Very high	87.9	Confident	4 Å²	4	18.8 Å²	18.8	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-55.3	-51.4	169.9	-94	-14.7	0	0	0	111.2	I305 Q306 L307 L313 L366 P420 Y421 K426 G427 L428	I305-N424 WeakPolarHBondContact CD1-O 3.27Å; I305-N424 HydrophobicContact CG2-CB 4.36Å; Q306-N424 PolarHBondContact O-ND2 3.07Å; L307-N424 HydrophobicContact CD2-CB 4.08Å; L313-N424 WeakPolarHBondContact CD1-ND2 3.5Å; L366-N424 WeakPolarHBondContact CD1-OD1 3.14Å; P420-N424 PolarHBondContact O-N 3.17Å; Y421-N424 WeakPolarHBondContact O-CB 3.36Å; Y421-N424 PolarHBondContact O-N 3.18Å; N424-K426 VanDerWaalsContact C-N 3.32Å; N424-K426 PolarHBondContact O-N 3.45Å; N424-G427 PolarHBondContact O-N 3.49Å; N424-L428 WeakPolarHBondContact O-CB 3.37Å; N424-L428 PolarHBondContact O-N 3.49Å
425	R	91.4	Very high	89.8	Confident	17 Å²	17	18.7 Å²	18.7	6%	0.064	9%	0.092	C	C	.	.	H	α-helix	trans	-62.7	-37.1	-179.3	-172.7	172	157.6	153	-4.2	112.4	E263 Y421 Y422 T449	E263-R425 IonicContact OE2-NE 2.85Å; E263-R425 IonicContact OE2-NH2 3.27Å; Y421-R425 PolarHBondContact O-N 3.43Å; Y422-R425 PolarHBondContact O-N 3.05Å; R425-T449 PolarHBondContact NH1-O 2.86Å
426	K	89.6	Confident	91.3	Very high	109 Å²	109	17.5 Å²	17.5	47%	0.474	8%	0.083	S	C	.	.	H	α-helix	trans	-71.4	-35.7	178.2	-174.9	59.7	176.1	179.6	0	113	V359 N360 Y422 A423 N424 P429	V359-K426 HydrophobicContact CG1-CB 4.26Å; N360-K426 VanDerWaalsContact OD1-CE 3.26Å; N360-K426 WeakPolarHBondContact OD1-CE 3.4Å; N360-K426 WeakPolarHBondContact OD1-CG 3.18Å; Y422-K426 VanDerWaalsContact O-CB 3.32Å; Y422-K426 WeakPolarHBondContact O-CB 3.45Å; Y422-K426 PolarHBondContact O-N 2.8Å; A423-K426 PolarHBondContact O-N 2.85Å; N424-K426 VanDerWaalsContact C-N 3.32Å; N424-K426 PolarHBondContact O-N 3.45Å; K426-P429 WeakPolarHBondContact O-CD 3.34Å
427	G	91.4	Very high	92.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-78.9	-22	176.9	0	0	0	0	0	113.6	I305 A423 N424 P429 L430 A431	I305-G427 WeakPolarHBondContact CD1-O 3.49Å; A423-G427 PolarHBondContact O-N 2.99Å; N424-G427 PolarHBondContact O-N 3.49Å; G427-P429 VanDerWaalsContact C-CD 3.41Å; G427-P429 VanDerWaalsContact C-N 3.35Å; G427-L430 PolarHBondContact O-N 3.46Å; G427-A431 PolarHBondContact O-N 3.24Å
428	L	92.6	Very high	93.1	Very high	5 Å²	5	12.1 Å²	12.1	3%	0.026	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-51.4	-39.6	-172.2	-170.1	60.9	0	0	0	115.3	I305 L307 N424 L430 A431 V434 G451	I305-L428 VanDerWaalsContact CD1-N 3.3Å; I305-L428 HydrophobicContact CG2-CD1 4.39Å; L307-L428 HydrophobicContact CD1-CD1 4.26Å; L307-L428 HydrophobicContact CD1-CD2 4.31Å; L307-L428 HydrophobicContact CD2-CD1 4.29Å; N424-L428 WeakPolarHBondContact O-CB 3.37Å; N424-L428 PolarHBondContact O-N 3.49Å; L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.06Å; L428-A431 WeakPolarHBondContact O-CB 3.47Å; L428-A431 PolarHBondContact O-N 2.62Å; L428-V434 HydrophobicContact CD1-CB 4.37Å; L428-V434 HydrophobicContact CD1-CG1 3.61Å; L428-V434 HydrophobicContact CD1-CG2 3.75Å; L428-G451 VanDerWaalsContact CD2-C 3.46Å; L428-G451 WeakPolarHBondContact CD2-O 3.26Å
429	P	90.9	Very high	93.3	Very high	26 Å²	26	15.2 Å²	15.2	17%	0.169	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-55.7	-44.6	176.4	-27.8	36.9	0	0	0	112.7	N270 K426 G427 A431	N270-P429 VanDerWaalsContact ND2-C 3.27Å; N270-P429 PolarHBondContact ND2-O 3.17Å; K426-P429 WeakPolarHBondContact O-CD 3.34Å; G427-P429 VanDerWaalsContact C-CD 3.41Å; G427-P429 VanDerWaalsContact C-N 3.35Å; P429-A431 VanDerWaalsContact C-N 3.3Å; P429-A431 PolarHBondContact O-N 3.45Å
430	L	92.5	Very high	93.2	Very high	29 Å²	29	15.1 Å²	15.1	15%	0.152	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-86.7	3.2	-176.9	-65.3	167.7	0	0	0	113.6	N172 L175 I176 I179 T303 L367 G427 L428	N172-L430 HydrophobicContact CB-CD2 4.38Å; L175-L430 HydrophobicContact CD1-CD1 4.21Å; L175-L430 HydrophobicContact CD1-CD2 4.34Å; L175-L430 HydrophobicContact CD2-CD1 3.38Å; L175-L430 HydrophobicContact CD2-CD2 4.08Å; L175-L430 HydrophobicContact CD2-CG 4.33Å; L175-L430 HydrophobicContact CG-CD1 4.41Å; I176-L430 HydrophobicContact CG1-CD2 4.45Å; I179-L430 HydrophobicContact CD1-CD1 4.15Å; T303-L430 PolarHBondContact OG1-O 3.4Å; L367-L430 HydrophobicContact CD1-CB 4.08Å; L367-L430 HydrophobicContact CD1-CD1 4.46Å; L367-L430 HydrophobicContact CD2-CB 4.29Å; G427-L430 PolarHBondContact O-N 3.46Å; L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 3.06Å
431	A	94.1	Very high	93.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.			trans	-84.3	119.1	178.1	0	0	0	0	0	110.5	I305 L367 G427 L428 P429 V434	I305-A431 HydrophobicContact CB-CB 3.87Å; I305-A431 HydrophobicContact CD1-CB 3.87Å; I305-A431 HydrophobicContact CG1-CB 3.79Å; L367-A431 HydrophobicContact CD2-CB 3.91Å; G427-A431 PolarHBondContact O-N 3.24Å; L428-A431 WeakPolarHBondContact O-CB 3.47Å; L428-A431 PolarHBondContact O-N 2.62Å; P429-A431 VanDerWaalsContact C-N 3.3Å; P429-A431 PolarHBondContact O-N 3.45Å; A431-V434 HydrophobicContact CB-CG2 4Å
432	Q	95.8	Very high	93.2	Very high	5 Å²	5	15 Å²	15	2%	0.023	8%	0.079	C	C	.	.	S	Bend	trans	-82.4	-38.1	175	-75.7	176.4	-45.1	0	0	112	L110 N114 I176 I275 V302 T303	L110-Q432 HydrophobicContact CD2-CB 3.94Å; L110-Q432 HydrophobicContact CD2-CG 4.33Å; N114-Q432 PolarHBondContact ND2-NE2 3.03Å; I176-Q432 HydrophobicContact CD1-CG 3.93Å; I275-Q432 PolarHBondContact N-O 3.11Å; V302-Q432 HydrophobicContact CG1-CB 3.8Å; T303-Q432 PolarHBondContact O-N 3.09Å; T303-Q432 PolarHBondContact OG1-N 3.32Å; T303-Q432 VanDerWaalsContact OG1-N 3.07Å
433	L	97.3	Very high	93	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	119	172.5	178.2	60.5	0	0	0	110.1	L103 L107 I275 F292 V302 T303 I304 I305 L435	L103-L433 HydrophobicContact CD2-CD1 4.32Å; L103-L433 HydrophobicContact CD2-CD2 3.97Å; L107-L433 HydrophobicContact CD1-CD2 4.48Å; L107-L433 HydrophobicContact CD2-CB 4.41Å; I275-L433 HydrophobicContact CB-CD1 4.34Å; I275-L433 HydrophobicContact CG2-CD1 3.94Å; I275-L433 CarbonylContact O-C 3.24Å; I275-L433 WeakPolarHBondContact O-CA 3.49Å; F292-L433 HydrophobicContact CD1-CD2 4.07Å; F292-L433 HydrophobicContact CD2-CD2 4.21Å; F292-L433 HydrophobicContact CE1-CD2 4.23Å; F292-L433 HydrophobicContact CE2-CD2 4.41Å; F292-L433 HydrophobicContact CG-CD2 4.04Å; F292-L433 HydrophobicContact CZ-CD2 4.39Å; V302-L433 HydrophobicContact CG1-CB 4.11Å; T303-L433 PolarHBondContact O-N 2.88Å; I304-L433 CarbonylContact C-O 3.35Å; I304-L433 VanDerWaalsContact CA-O 3.23Å; I304-L433 WeakPolarHBondContact CA-O 3.48Å; I304-L433 HydrophobicContact CB-CB 4.37Å; I304-L433 HydrophobicContact CD1-CD2 3.8Å; I304-L433 HydrophobicContact CD1-CG 4.29Å; I304-L433 HydrophobicContact CG1-CB 4.3Å; I304-L433 HydrophobicContact CG1-CD2 4.1Å; I304-L433 HydrophobicContact CG1-CG 4.11Å; I305-L433 PolarHBondContact N-O 3.36Å; L433-L435 HydrophobicContact CD1-CD2 4.07Å; L433-L435 HydrophobicContact CD2-CD2 4.31Å; L433-L435 HydrophobicContact CG-CD2 4.04Å
434	V	97.1	Very high	92.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	113.3	179.4	-169.7	0	0	0	0	109.3	I275 I276 Y277 I305 L307 L428 A431 V436 L452	I275-V434 PolarHBondContact O-N 3.46Å; I276-V434 CarbonylContact C-O 3.48Å; I276-V434 WeakPolarHBondContact CA-O 3.41Å; I276-V434 HydrophobicContact CG1-CB 4.42Å; Y277-V434 PolarHBondContact N-O 3.15Å; I305-V434 CarbonylContact O-C 3.05Å; I305-V434 WeakPolarHBondContact O-CA 3.34Å; L307-V434 HydrophobicContact CD1-CG1 3.88Å; L307-V434 HydrophobicContact CG-CG1 3.93Å; L428-V434 HydrophobicContact CD1-CB 4.37Å; L428-V434 HydrophobicContact CD1-CG1 3.61Å; L428-V434 HydrophobicContact CD1-CG2 3.75Å; A431-V434 HydrophobicContact CB-CG2 4Å; V434-V436 HydrophobicContact CB-CG2 4.42Å; V434-V436 HydrophobicContact CG1-CG2 3.65Å; V434-L452 HydrophobicContact CG1-CD1 4.17Å
435	L	97.6	Very high	92.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.1	176.2	-54.4	-170.6	0	0	0	109.9	Y277 L285 V288 A289 I304 I305 Q306 L307 L433	Y277-L435 HydrophobicContact CG-CD2 4.3Å; Y277-L435 CarbonylContact O-C 3.59Å; Y277-L435 WeakPolarHBondContact O-CA 3.43Å; L285-L435 HydrophobicContact CD2-CB 4.22Å; V288-L435 HydrophobicContact CG1-CD2 4.1Å; A289-L435 HydrophobicContact CB-CD1 3.86Å; I304-L435 HydrophobicContact CD1-CD1 3.9Å; I304-L435 HydrophobicContact CD1-CG 4.07Å; I304-L435 HydrophobicContact CG1-CG 4.33Å; I305-L435 PolarHBondContact O-N 3.16Å; Q306-L435 HydrophobicContact CB-CB 4.24Å; Q306-L435 HydrophobicContact CG-CB 4.1Å; L307-L435 PolarHBondContact N-O 3.24Å; L433-L435 HydrophobicContact CD1-CD2 4.07Å; L433-L435 HydrophobicContact CD2-CD2 4.31Å; L433-L435 HydrophobicContact CG-CD2 4.04Å
436	V	96.1	Very high	92	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.7	-170	-172.1	0	0	0	0	111.1	I276 Y277 C278 S279 L285 L307 V434 S440 L441 L452	I276-V436 HydrophobicContact CG2-CB 4.26Å; I276-V436 HydrophobicContact CG2-CG2 3.79Å; Y277-V436 PolarHBondContact O-N 3.17Å; C278-V436 VanDerWaalsContact CA-O 3.22Å; C278-V436 WeakPolarHBondContact CA-O 3.35Å; C278-V436 PolarHBondContact SG-O 3.24Å; S279-V436 PolarHBondContact N-O 2.92Å; L285-V436 VanDerWaalsContact CD1-C 3.48Å; L307-V436 HydrophobicContact CB-CG2 4.48Å; L307-V436 HydrophobicContact CD1-CG2 4.04Å; L307-V436 HydrophobicContact CG-CG2 4.44Å; V434-V436 HydrophobicContact CB-CG2 4.42Å; V434-V436 HydrophobicContact CG1-CG2 3.65Å; V436-S440 VanDerWaalsContact CG1-CB 3.43Å; V436-L441 HydrophobicContact CG1-CB 4.2Å; V436-L452 HydrophobicContact CG1-CD2 4.03Å; V436-L452 HydrophobicContact CG2-CD1 4.31Å; V436-L452 HydrophobicContact CG2-CD2 4.18Å
437	P	94.3	Very high	92	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	156.4	171.1	32.4	-36	0	0	0	111.2	S279 L285 S439 S440 L441	S279-P437 WeakPolarHBondContact O-CA 3.17Å; L285-P437 HydrophobicContact CD1-CB 4.29Å; P437-S439 PolarHBondContact O-N 3.47Å; P437-S439 VanDerWaalsContact O-N 3.11Å; P437-S440 PolarHBondContact O-N 3.41Å; P437-L441 PolarHBondContact O-N 3.22Å
438	Y	93.8	Very high	91.7	Very high	11 Å²	11	27.1 Å²	27.1	4%	0.043	16%	0.156	C	C	.	.	H	α-helix	trans	-47.8	-43.7	176.6	-82.2	18.1	0	0	0	113.1	C278 S279 R280 S440 L441 L442 I461 D462 E463 N466 A470	C278-Y438 WeakPolarHBondContact SG-CD1 3.3Å; S279-Y438 VanDerWaalsContact O-CD1 3.23Å; S279-Y438 WeakPolarHBondContact O-CD1 3.26Å; S279-Y438 PolarHBondContact O-N 3.04Å; S279-Y438 VanDerWaalsContact O-N 3.09Å; R280-Y438 HydrophobicContact CB-CD2 4.36Å; R280-Y438 HydrophobicContact CB-CE2 4.3Å; R280-Y438 HydrophobicContact CG-CD2 4.33Å; R280-Y438 HydrophobicContact CG-CE2 4.47Å; Y438-S440 PolarHBondContact O-N 3.27Å; Y438-L441 PolarHBondContact O-N 3.14Å; Y438-L441 VanDerWaalsContact O-N 3.14Å; Y438-L442 HydrophobicContact CD2-CD1 4.48Å; Y438-L442 WeakPolarHBondContact O-CB 3.2Å; Y438-L442 VanDerWaalsContact O-CG 3.23Å; Y438-L442 WeakPolarHBondContact O-CG 3.31Å; Y438-L442 PolarHBondContact O-N 3.23Å; Y438-I461 HydrophobicContact CE1-CG2 3.7Å; Y438-I461 WeakPolarHBondContact OH-CG2 3.42Å; Y438-D462 PolarHBondContact OH-O 3.01Å; Y438-E463 VanDerWaalsContact OH-C 3.25Å; Y438-E463 PolarHBondContact OH-O 3.27Å; Y438-N466 HydrophobicContact CE2-CB 4.49Å; Y438-A470 HydrophobicContact CD2-CB 3.5Å; Y438-A470 VanDerWaalsContact CD2-CB 3.5Å; Y438-A470 HydrophobicContact CE2-CB 3.93Å
439	S	89	Confident	91.2	Very high	64 Å²	64	29.1 Å²	29.1	45%	0.448	17%	0.169	S	C	.	.	H	α-helix	trans	-57.5	-35.6	180	57.2	0	0	0	0	113.6	P437 N446	P437-S439 PolarHBondContact O-N 3.47Å; P437-S439 VanDerWaalsContact O-N 3.11Å; S439-N446 WeakPolarHBondContact O-CB 3.38Å; S439-N446 PolarHBondContact O-ND2 3.4Å
440	S	90.8	Very high	90.9	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-82.3	-27.6	-179.5	-68	0	0	0	0	112.7	V436 P437 Y438 R447	V436-S440 VanDerWaalsContact CG1-CB 3.43Å; P437-S440 PolarHBondContact O-N 3.41Å; Y438-S440 PolarHBondContact O-N 3.27Å; S440-R447 WeakPolarHBondContact O-CG 3.47Å
441	L	94.2	Very high	90.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-83	-44	179.2	-177.2	68.1	0	0	0	112.4	I276 C278 V436 P437 Y438 R447 L452 L454 V459 I461 L725	I276-L441 HydrophobicContact CG2-CD1 4.4Å; C278-L441 HydrophobicContact CB-CD2 3.67Å; C278-L441 WeakPolarHBondContact SG-CD2 3.41Å; V436-L441 HydrophobicContact CG1-CB 4.2Å; P437-L441 PolarHBondContact O-N 3.22Å; Y438-L441 PolarHBondContact O-N 3.14Å; Y438-L441 VanDerWaalsContact O-N 3.14Å; L441-R447 WeakPolarHBondContact O-CD 3.39Å; L441-R447 PolarHBondContact O-NH1 2.83Å; L441-L452 HydrophobicContact CD1-CD2 4.22Å; L441-L454 HydrophobicContact CD1-CD2 3.85Å; L441-V459 HydrophobicContact CD1-CG1 4.26Å; L441-V459 HydrophobicContact CD2-CG1 3.78Å; L441-I461 HydrophobicContact CD2-CD1 4.05Å; L441-I461 HydrophobicContact CD2-CG1 4.1Å; L441-L725 HydrophobicContact CD1-CD1 3.97Å; L441-L725 HydrophobicContact CD2-CD1 3.97Å; L441-L725 HydrophobicContact CG-CD1 3.64Å
442	L	92.3	Very high	90.4	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-75.1	-39.9	-166.9	-61.3	176.4	0	0	0	113.4	Y438 R447 L467 A470 L722	Y438-L442 HydrophobicContact CD2-CD1 4.48Å; Y438-L442 WeakPolarHBondContact O-CB 3.2Å; Y438-L442 VanDerWaalsContact O-CG 3.23Å; Y438-L442 WeakPolarHBondContact O-CG 3.31Å; Y438-L442 PolarHBondContact O-N 3.23Å; L442-R447 PolarHBondContact O-NH1 3.34Å; L442-R447 VanDerWaalsContact O-NH1 3.14Å; L442-L467 HydrophobicContact CD2-CD1 3.58Å; L442-A470 HydrophobicContact CD1-CB 4.09Å; L442-L722 HydrophobicContact CD2-CD2 3.72Å
443	Q	86.8	Confident	90.2	Very high	59 Å²	59	31.8 Å²	31.8	28%	0.276	19%	0.185	S	C	.	.			trans	-89.7	124.9	-177.1	-71.4	-178.3	-22.1	0	0	111.7	S445 N446 R447 S474	Q443-S445 VanDerWaalsContact C-N 3.33Å; Q443-S445 PolarHBondContact O-N 3.43Å; Q443-N446 HydrophobicContact CB-CB 4.16Å; Q443-N446 PolarHBondContact O-N 3.07Å; Q443-N446 VanDerWaalsContact O-N 3.14Å; Q443-N446 PolarHBondContact OE1-ND2 2.71Å; Q443-R447 PolarHBondContact O-N 2.87Å; Q443-R447 VanDerWaalsContact O-N 3.14Å; Q443-S474 PolarHBondContact NE2-O 3.43Å
444	P	85.9	Confident	89.9	Confident	74 Å²	74	31.9 Å²	31.9	48%	0.481	19%	0.185	S	C	.	.	H	α-helix	trans	-56.2	-42.2	177.8	-23.5	31.3	0	0	0	113.8	N446 R447 L448	P444-N446 VanDerWaalsContact C-N 3.3Å; P444-N446 PolarHBondContact O-N 2.76Å; P444-R447 WeakPolarHBondContact O-CB 3.38Å; P444-R447 PolarHBondContact O-N 2.8Å; P444-R447 VanDerWaalsContact O-N 3.12Å; P444-L448 WeakPolarHBondContact O-CG 3.23Å; P444-L448 PolarHBondContact O-N 3.07Å
445	S	82.8	Confident	89.6	Confident	68 Å²	68	38.8 Å²	38.8	48%	0.476	22%	0.216	S	C	.	.	H	α-helix	trans	-59.1	-38.4	177	53.2	0	0	0	0	112.9	Q443 T449	Q443-S445 VanDerWaalsContact C-N 3.33Å; Q443-S445 PolarHBondContact O-N 3.43Å; S445-T449 WeakPolarHBondContact O-CG2 3.45Å; S445-T449 PolarHBondContact O-N 3.44Å; S445-T449 PolarHBondContact O-OG1 3.31Å; S445-T449 VanDerWaalsContact O-OG1 3.08Å
446	N	86.4	Confident	89.2	Confident	45 Å²	45	41.3 Å²	41.3	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-72.6	-33.4	176.4	-68.8	-14.5	0	0	0	112.5	S439 Q443 P444 T449 S450	S439-N446 WeakPolarHBondContact O-CB 3.38Å; S439-N446 PolarHBondContact O-ND2 3.4Å; Q443-N446 HydrophobicContact CB-CB 4.16Å; Q443-N446 PolarHBondContact O-N 3.07Å; Q443-N446 VanDerWaalsContact O-N 3.14Å; Q443-N446 PolarHBondContact OE1-ND2 2.71Å; P444-N446 VanDerWaalsContact C-N 3.3Å; P444-N446 PolarHBondContact O-N 2.76Å; N446-T449 WeakPolarHBondContact CA-OG1 3.24Å; N446-T449 PolarHBondContact O-OG1 3.42Å; N446-T449 VanDerWaalsContact O-OG1 3.12Å; N446-S450 VanDerWaalsContact O-CB 3.32Å; N446-S450 WeakPolarHBondContact O-CB 3.27Å; N446-S450 PolarHBondContact O-N 2.9Å; N446-S450 PolarHBondContact O-OG 2.91Å
447	R	90.4	Very high	89.2	Confident	22 Å²	22	41.3 Å²	41.3	8%	0.083	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-48.8	172.6	-66	-165.9	-64.6	-89.5	6.7	110.7	S440 L441 L442 Q443 P444 T449 S450 G451 L452	S440-R447 WeakPolarHBondContact O-CG 3.47Å; L441-R447 WeakPolarHBondContact O-CD 3.39Å; L441-R447 PolarHBondContact O-NH1 2.83Å; L442-R447 PolarHBondContact O-NH1 3.34Å; L442-R447 VanDerWaalsContact O-NH1 3.14Å; Q443-R447 PolarHBondContact O-N 2.87Å; Q443-R447 VanDerWaalsContact O-N 3.14Å; P444-R447 WeakPolarHBondContact O-CB 3.38Å; P444-R447 PolarHBondContact O-N 2.8Å; P444-R447 VanDerWaalsContact O-N 3.12Å; R447-T449 PolarHBondContact O-N 3.4Å; R447-S450 PolarHBondContact O-N 2.81Å; R447-S450 PolarHBondContact O-OG 3.41Å; R447-S450 VanDerWaalsContact O-OG 3.05Å; R447-G451 PolarHBondContact O-N 3.27Å; R447-L452 HydrophobicContact CB-CB 4.36Å; R447-L452 HydrophobicContact CG-CD2 4.28Å; R447-L452 PolarHBondContact O-N 3.5Å
448	L	84.9	Confident	89.3	Confident	133 Å²	133	41.1 Å²	41.1	70%	0.696	23%	0.228	S	C	*	.	H	α-helix	trans	-58.9	-49.5	178	-68.9	172.5	0	0	0	112	P444 S450 G451	P444-L448 WeakPolarHBondContact O-CG 3.23Å; P444-L448 PolarHBondContact O-N 3.07Å; L448-S450 PolarHBondContact O-N 2.99Å; L448-G451 PolarHBondContact O-N 3.13Å; L448-G451 VanDerWaalsContact O-N 3.17Å
449	T	83	Confident	89.5	Confident	47 Å²	47	40.6 Å²	40.6	29%	0.288	23%	0.226	S	C	.	.	H	α-helix	trans	-64.8	-38.2	-179.3	53.7	0	0	0	0	112.6	Y421 R425 S445 N446 R447 G451	Y421-T449 PolarHBondContact OH-O 3.27Å; R425-T449 PolarHBondContact NH1-O 2.86Å; S445-T449 WeakPolarHBondContact O-CG2 3.45Å; S445-T449 PolarHBondContact O-N 3.44Å; S445-T449 PolarHBondContact O-OG1 3.31Å; S445-T449 VanDerWaalsContact O-OG1 3.08Å; N446-T449 WeakPolarHBondContact CA-OG1 3.24Å; N446-T449 PolarHBondContact O-OG1 3.42Å; N446-T449 VanDerWaalsContact O-OG1 3.12Å; R447-T449 PolarHBondContact O-N 3.4Å; T449-G451 VanDerWaalsContact C-N 3.31Å
450	S	84.7	Confident	90	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-75.9	-16.4	176.7	62.3	0	0	0	0	114.1	N446 R447 L448	N446-S450 VanDerWaalsContact O-CB 3.32Å; N446-S450 WeakPolarHBondContact O-CB 3.27Å; N446-S450 PolarHBondContact O-N 2.9Å; N446-S450 PolarHBondContact O-OG 2.91Å; R447-S450 PolarHBondContact O-N 2.81Å; R447-S450 PolarHBondContact O-OG 3.41Å; R447-S450 VanDerWaalsContact O-OG 3.05Å; L448-S450 PolarHBondContact O-N 2.99Å
451	G	85.5	Confident	90.3	Very high	24 Å²	24	37.2 Å²	37.2	25%	0.247	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	13.6	-174.7	0	0	0	0	0	113.9	L428 R447 L448 T449 K453	L428-G451 VanDerWaalsContact CD2-C 3.46Å; L428-G451 WeakPolarHBondContact CD2-O 3.26Å; R447-G451 PolarHBondContact O-N 3.27Å; L448-G451 PolarHBondContact O-N 3.13Å; L448-G451 VanDerWaalsContact O-N 3.17Å; T449-G451 VanDerWaalsContact C-N 3.31Å; G451-K453 PolarHBondContact O-N 3.22Å
452	L	90.7	Very high	90.3	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.063	20%	0.204	C	C	.	.			trans	-74.6	111.1	-178.4	-173.1	67.9	0	0	0	110.9	I276 L307 V434 V436 L441 R447 L454	I276-L452 HydrophobicContact CD1-CD1 3.82Å; I276-L452 HydrophobicContact CD1-CG 4.33Å; I276-L452 HydrophobicContact CG1-CD1 4.28Å; L307-L452 HydrophobicContact CD1-CB 4.31Å; L307-L452 HydrophobicContact CD1-CD1 4.07Å; V434-L452 HydrophobicContact CG1-CD1 4.17Å; V436-L452 HydrophobicContact CG1-CD2 4.03Å; V436-L452 HydrophobicContact CG2-CD1 4.31Å; V436-L452 HydrophobicContact CG2-CD2 4.18Å; L441-L452 HydrophobicContact CD1-CD2 4.22Å; R447-L452 HydrophobicContact CB-CB 4.36Å; R447-L452 HydrophobicContact CG-CD2 4.28Å; R447-L452 PolarHBondContact O-N 3.5Å; L452-L454 HydrophobicContact CD2-CD2 4.36Å; L452-L454 HydrophobicContact CG-CD2 4.4Å
453	K	90.7	Very high	90.3	Very high	71 Å²	71	38.2 Å²	38.2	31%	0.309	21%	0.206	S	C	.	.			trans	-96.3	132.9	171.3	-60.1	-178	179.7	-179.1	0	109.5	S264 Q267 G451	S264-K453 PolarHBondContact O-NZ 3.02Å; Q267-K453 PolarHBondContact O-NZ 3.36Å; G451-K453 PolarHBondContact O-N 3.22Å
454	L	91.9	Very high	90.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.196	C	C	.	.			trans	-93.3	-19.6	-179.6	-57.7	-178.3	0	0	0	113.7	I276 L441 L452 S457 L725 E728	I276-L454 HydrophobicContact CD1-CD2 3.79Å; L441-L454 HydrophobicContact CD1-CD2 3.85Å; L452-L454 HydrophobicContact CD2-CD2 4.36Å; L452-L454 HydrophobicContact CG-CD2 4.4Å; L454-S457 VanDerWaalsContact O-CB 3.3Å; L454-S457 WeakPolarHBondContact O-CB 3.36Å; L454-S457 PolarHBondContact O-N 3.46Å; L454-S457 PolarHBondContact O-OG 2.95Å; L454-L725 HydrophobicContact CD1-CB 4.14Å; L454-L725 HydrophobicContact CD1-CG 4.06Å; L454-E728 HydrophobicContact CB-CB 3.87Å
455	K	90.5	Very high	90.8	Very high	146 Å²	146	32.7 Å²	32.7	64%	0.635	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	141.1	174.1	-67.8	-171.9	178.4	-175.8	0	110.7	S457	K455-S457 PolarHBondContact O-N 3.13Å
456	N	88.9	Confident	91.2	Very high	54 Å²	54	30.2 Å²	30.2	29%	0.289	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	44.3	-175.7	-147.8	27.5	0	0	0	113	G271 L273 R274	G271-N456 PolarHBondContact O-ND2 3.04Å; L273-N456 WeakPolarHBondContact CA-O 3.4Å; L273-N456 HydrophobicContact CD1-CB 4.44Å; L273-N456 WeakPolarHBondContact CD1-O 3.1Å; L273-N456 WeakPolarHBondContact CD1-OD1 3.38Å; R274-N456 PolarHBondContact N-O 2.93Å; R274-N456 VanDerWaalsContact N-O 3.1Å
457	S	95.1	Very high	91.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.8	176.4	77.6	0	0	0	0	113.2	R274 L454 K455 R730	R274-S457 CarbonylContact O-C 3.31Å; R274-S457 WeakPolarHBondContact O-CA 3.33Å; R274-S457 WeakPolarHBondContact O-CB 3.47Å; L454-S457 VanDerWaalsContact O-CB 3.3Å; L454-S457 WeakPolarHBondContact O-CB 3.36Å; L454-S457 PolarHBondContact O-N 3.46Å; L454-S457 PolarHBondContact O-OG 2.95Å; K455-S457 PolarHBondContact O-N 3.13Å; S457-R730 WeakPolarHBondContact O-CB 3.28Å; S457-R730 PolarHBondContact O-N 2.87Å
458	I	97.6	Very high	91.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.5	166.3	-67.6	164.5	0	0	0	107.1	L82 W109 L273 R274 I275 I276 I460 S731	L82-I458 HydrophobicContact CD1-CD1 4.03Å; L82-I458 HydrophobicContact CD2-CB 4.46Å; L82-I458 HydrophobicContact CD2-CD1 3.71Å; L82-I458 HydrophobicContact CD2-CG1 3.98Å; L82-I458 HydrophobicContact CD2-CG2 3.62Å; L82-I458 HydrophobicContact CG-CD1 4.34Å; W109-I458 HydrophobicContact CE3-CD1 3.68Å; W109-I458 HydrophobicContact CH2-CD1 3.9Å; W109-I458 HydrophobicContact CZ3-CD1 3.16Å; L273-I458 HydrophobicContact CD2-CD1 4.16Å; R274-I458 PolarHBondContact O-N 2.8Å; I275-I458 CarbonylContact C-O 3.58Å; I275-I458 WeakPolarHBondContact CA-O 3.43Å; I275-I458 HydrophobicContact CG1-CB 4.3Å; I275-I458 HydrophobicContact CG1-CD1 4.48Å; I276-I458 PolarHBondContact N-O 2.95Å; I458-I460 HydrophobicContact CG2-CG1 4.4Å; I458-S731 WeakPolarHBondContact CA-O 3.23Å
459	V	98	Very high	92	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.8	-177.8	-176.3	0	0	0	0	109.3	I276 L441 I461 A729 S731 V732 L733	I276-V459 HydrophobicContact CB-CG2 4.34Å; I276-V459 HydrophobicContact CD1-CG2 4.29Å; I276-V459 CarbonylContact O-C 3.51Å; I276-V459 WeakPolarHBondContact O-CA 3.33Å; L441-V459 HydrophobicContact CD1-CG1 4.26Å; L441-V459 HydrophobicContact CD2-CG1 3.78Å; V459-I461 HydrophobicContact CG1-CD1 4.37Å; V459-I461 HydrophobicContact CG1-CG1 3.94Å; V459-A729 HydrophobicContact CG2-CB 3.72Å; V459-S731 PolarHBondContact N-O 3.02Å; V459-V732 HydrophobicContact CB-CG2 4.33Å; V459-V732 CarbonylContact O-C 3.56Å; V459-V732 WeakPolarHBondContact O-CA 3.38Å; V459-L733 PolarHBondContact O-N 2.86Å
460	I	98.2	Very high	92.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.2	172.7	-52.2	175.5	0	0	0	107.2	L102 T106 I275 I276 Y277 C278 I458 L733 V735	L102-I460 HydrophobicContact CD1-CG2 4.35Å; T106-I460 HydrophobicContact CG2-CD1 3.56Å; T106-I460 HydrophobicContact CG2-CG1 4.46Å; I275-I460 HydrophobicContact CG2-CD1 3.88Å; I275-I460 HydrophobicContact CG2-CG1 4.46Å; I276-I460 PolarHBondContact O-N 3.25Å; Y277-I460 HydrophobicContact CD2-CB 4.2Å; Y277-I460 HydrophobicContact CD2-CD1 3.91Å; Y277-I460 HydrophobicContact CD2-CG2 4.16Å; Y277-I460 HydrophobicContact CE2-CD1 4.34Å; Y277-I460 HydrophobicContact CE2-CG2 4.02Å; C278-I460 WeakPolarHBondContact CA-O 3.45Å; C278-I460 VanDerWaalsContact CB-O 3.3Å; C278-I460 WeakPolarHBondContact CB-O 3.31Å; C278-I460 PolarHBondContact N-O 3.2Å; I458-I460 HydrophobicContact CG2-CG1 4.4Å; I460-L733 HydrophobicContact CG1-CD1 4.25Å; I460-V735 HydrophobicContact CG2-CG2 4.03Å
461	I	97.5	Very high	92.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	103.6	174.8	-55	-178	0	0	0	107.5	C278 Y438 L441 V459 A464 L467 V732 L733 L734 V735	C278-I461 HydrophobicContact CB-CG1 4.37Å; Y438-I461 HydrophobicContact CE1-CG2 3.7Å; Y438-I461 WeakPolarHBondContact OH-CG2 3.42Å; L441-I461 HydrophobicContact CD2-CD1 4.05Å; L441-I461 HydrophobicContact CD2-CG1 4.1Å; V459-I461 HydrophobicContact CG1-CD1 4.37Å; V459-I461 HydrophobicContact CG1-CG1 3.94Å; I461-A464 HydrophobicContact CB-CB 4.48Å; I461-A464 HydrophobicContact CG2-CB 4.16Å; I461-A464 WeakPolarHBondContact O-CB 3.39Å; I461-L467 HydrophobicContact CD1-CD1 4.16Å; I461-L467 HydrophobicContact CD1-CD2 3.78Å; I461-L467 HydrophobicContact CG2-CD1 4.26Å; I461-L467 HydrophobicContact CG2-CD2 4.31Å; I461-V732 HydrophobicContact CD1-CG1 4.26Å; I461-L733 PolarHBondContact N-O 2.99Å; I461-L734 HydrophobicContact CB-CD2 3.99Å; I461-L734 HydrophobicContact CD1-CD2 3.88Å; I461-L734 HydrophobicContact CG1-CD2 4.27Å; I461-V735 PolarHBondContact O-N 3.4Å
462	D	95.1	Very high	93.1	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	146.2	175.9	-167.9	22.6	0	0	0	111	Y277 C278 Y438 A464 V735	Y277-D462 HydrophobicContact CE1-CB 3.82Å; Y277-D462 PolarHBondContact OH-OD2 2.77Å; C278-D462 PolarHBondContact O-N 3.27Å; Y438-D462 PolarHBondContact OH-O 3.01Å; D462-A464 VanDerWaalsContact C-N 3.27Å; D462-V735 CarbonylContact C-O 3.57Å
463	E	91.4	Very high	93.1	Very high	25 Å²	25	28.6 Å²	28.6	12%	0.117	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	41	-166.6	-53.4	-64	-174.8	0	0	113.3	Y438 H465 N466 V735	Y438-E463 VanDerWaalsContact OH-C 3.25Å; Y438-E463 PolarHBondContact OH-O 3.27Å; E463-H465 PolarHBondContact O-N 2.97Å; E463-H465 IonicContact OE2-CE1 3.77Å; E463-H465 PolarHBondContact OE2-CE1 2.94Å; E463-H465 IonicContact OE2-ND1 3.05Å; E463-H465 PolarHBondContact OE2-ND1 2.88Å; E463-N466 PolarHBondContact O-N 3.02Å; E463-V735 PolarHBondContact N-O 2.99Å
464	A	94.5	Very high	92.9	Very high	6 Å²	6	26.6 Å²	26.6	5%	0.05	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-60.6	-14.9	-178	0	0	0	0	0	114.3	I461 D462 N466 L467 L734 V735 M739	I461-A464 HydrophobicContact CB-CB 4.48Å; I461-A464 HydrophobicContact CG2-CB 4.16Å; I461-A464 WeakPolarHBondContact O-CB 3.39Å; D462-A464 VanDerWaalsContact C-N 3.27Å; A464-N466 PolarHBondContact O-N 3.27Å; A464-N466 VanDerWaalsContact O-N 3.13Å; A464-L467 WeakPolarHBondContact O-CB 3.4Å; A464-L467 PolarHBondContact O-N 3.07Å; A464-L734 HydrophobicContact CB-CB 3.7Å; A464-L734 HydrophobicContact CB-CD2 4.04Å; A464-L734 HydrophobicContact CB-CG 4.37Å; A464-V735 PolarHBondContact N-O 3.09Å; A464-M739 HydrophobicContact CB-CE 3.86Å; A464-M739 HydrophobicContact CB-SD 4.02Å
465	H	90.1	Very high	92.7	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.056	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60.9	-20.1	172.3	70	-99.7	0	0	0	112.7	E463 M739 R959 Q963	E463-H465 PolarHBondContact O-N 2.97Å; E463-H465 IonicContact OE2-CE1 3.77Å; E463-H465 PolarHBondContact OE2-CE1 2.94Å; E463-H465 IonicContact OE2-ND1 3.05Å; E463-H465 PolarHBondContact OE2-ND1 2.88Å; H465-M739 HydrophobicContact CB-SD 3.92Å; H465-M739 PolarHBondContact N-SD 3.43Å; H465-M739 VanDerWaalsContact N-SD 3.4Å; H465-R959 PolarHBondContact O-NH1 3.2Å; H465-Q963 PolarHBondContact CD2-NE2 2.82Å; H465-Q963 PolarHBondContact CE1-NE2 2.86Å; H465-Q963 VanDerWaalsContact CE1-NE2 3.28Å; H465-Q963 PolarHBondContact NE2-NE2 3.05Å
466	N	90.3	Very high	92.8	Very high	16 Å²	16	23.5 Å²	23.5	9%	0.086	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-94.6	-4.4	173.9	-67	-41.6	0	0	0	113.3	R280 Y438 E463 A464 L468 E469 A470	R280-N466 PolarHBondContact NH1-ND2 3.4Å; Y438-N466 HydrophobicContact CE2-CB 4.49Å; E463-N466 PolarHBondContact O-N 3.02Å; A464-N466 PolarHBondContact O-N 3.27Å; A464-N466 VanDerWaalsContact O-N 3.13Å; N466-L468 PolarHBondContact O-N 2.82Å; N466-E469 PolarHBondContact O-N 2.84Å; N466-A470 VanDerWaalsContact O-CB 3.3Å; N466-A470 WeakPolarHBondContact O-CB 3.22Å; N466-A470 PolarHBondContact O-N 3.28Å
467	L	94.5	Very high	92.9	Very high	2 Å²	2	22 Å²	22	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-50.2	-169.5	176.8	57.4	0	0	0	112.1	L442 I461 A464 E469 A470 T471 L722 L734 I749	L442-L467 HydrophobicContact CD2-CD1 3.58Å; I461-L467 HydrophobicContact CD1-CD1 4.16Å; I461-L467 HydrophobicContact CD1-CD2 3.78Å; I461-L467 HydrophobicContact CG2-CD1 4.26Å; I461-L467 HydrophobicContact CG2-CD2 4.31Å; A464-L467 WeakPolarHBondContact O-CB 3.4Å; A464-L467 PolarHBondContact O-N 3.07Å; L467-E469 PolarHBondContact O-N 3.11Å; L467-A470 PolarHBondContact O-N 3.37Å; L467-T471 WeakPolarHBondContact O-CB 3.29Å; L467-T471 PolarHBondContact O-N 3.37Å; L467-T471 PolarHBondContact O-OG1 3.36Å; L467-L722 HydrophobicContact CD1-CD1 4.26Å; L467-L722 HydrophobicContact CD2-CD1 3.93Å; L467-L722 HydrophobicContact CG-CD1 3.91Å; L467-L734 HydrophobicContact CD2-CD2 3.56Å; L467-I749 HydrophobicContact CD2-CD1 3.89Å
468	L	92.9	Very high	92.8	Very high	16 Å²	16	24.6 Å²	24.6	8%	0.084	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-44.7	-179.6	-67.5	174.4	0	0	0	112	N466 T471 A472 P718 G719 E744 Q748 I749	N466-L468 PolarHBondContact O-N 2.82Å; L468-T471 PolarHBondContact O-N 3.02Å; L468-A472 PolarHBondContact O-N 3.22Å; L468-P718 HydrophobicContact CB-CG 3.96Å; L468-P718 HydrophobicContact CD2-CG 4.16Å; L468-P718 WeakPolarHBondContact O-CB 3.37Å; L468-P718 WeakPolarHBondContact O-CG 3.26Å; L468-G719 VanDerWaalsContact CD2-CA 3.47Å; L468-E744 HydrophobicContact CD1-CG 3.74Å; L468-Q748 HydrophobicContact CD1-CB 4.5Å; L468-Q748 HydrophobicContact CD2-CB 4.38Å; L468-I749 HydrophobicContact CD2-CD1 3.93Å; L468-I749 HydrophobicContact CD2-CG1 3.74Å; L468-I749 HydrophobicContact CG-CD1 4.23Å
469	E	90.8	Very high	92.6	Very high	121 Å²	121	24.6 Å²	24.6	57%	0.565	15%	0.147	S	C	*	.	H	α-helix	trans	-66.4	-39.2	178	-174.4	176.3	177.7	0	0	111.9	N466 L467 A472 S473	N466-E469 PolarHBondContact O-N 2.84Å; L467-E469 PolarHBondContact O-N 3.11Å; E469-A472 PolarHBondContact O-N 2.9Å; E469-S473 VanDerWaalsContact O-CB 3.31Å; E469-S473 WeakPolarHBondContact O-CB 3.45Å; E469-S473 PolarHBondContact O-N 2.98Å; E469-S473 PolarHBondContact O-OG 2.98Å
470	A	92.1	Very high	92.3	Very high	22 Å²	22	25.2 Å²	25.2	18%	0.182	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-38.5	175.8	0	0	0	0	0	112.3	Y438 L442 N466 L467 S473 S474	Y438-A470 HydrophobicContact CD2-CB 3.5Å; Y438-A470 VanDerWaalsContact CD2-CB 3.5Å; Y438-A470 HydrophobicContact CE2-CB 3.93Å; L442-A470 HydrophobicContact CD1-CB 4.09Å; N466-A470 VanDerWaalsContact O-CB 3.3Å; N466-A470 WeakPolarHBondContact O-CB 3.22Å; N466-A470 PolarHBondContact O-N 3.28Å; L467-A470 PolarHBondContact O-N 3.37Å; A470-S473 PolarHBondContact O-N 3.45Å; A470-S474 WeakPolarHBondContact O-CB 3.22Å; A470-S474 PolarHBondContact O-N 3.37Å; A470-S474 PolarHBondContact O-OG 2.97Å
471	T	93	Very high	92.1	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-45	174.6	-56.3	0	0	0	0	111.4	L467 L468 S473 S474 M475 P718 L722	L467-T471 WeakPolarHBondContact O-CB 3.29Å; L467-T471 PolarHBondContact O-N 3.37Å; L467-T471 PolarHBondContact O-OG1 3.36Å; L468-T471 PolarHBondContact O-N 3.02Å; T471-S473 VanDerWaalsContact C-N 3.29Å; T471-S473 PolarHBondContact O-N 2.81Å; T471-S474 PolarHBondContact O-N 2.86Å; T471-S474 PolarHBondContact O-OG 3.21Å; T471-M475 HydrophobicContact CG2-SD 4.16Å; T471-M475 WeakPolarHBondContact O-CG 3.36Å; T471-M475 PolarHBondContact O-N 2.9Å; T471-P718 HydrophobicContact CG2-CB 3.99Å; T471-P718 WeakPolarHBondContact CG2-O 3.49Å; T471-L722 HydrophobicContact CG2-CD2 3.99Å; T471-L722 HydrophobicContact CG2-CG 4.31Å
472	A	92.2	Very high	91.6	Very high	14 Å²	14	27.5 Å²	27.5	12%	0.116	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-43.7	173.8	0	0	0	0	0	111.2	L468 E469 M475 S476 P718	L468-A472 PolarHBondContact O-N 3.22Å; E469-A472 PolarHBondContact O-N 2.9Å; A472-M475 PolarHBondContact O-N 3.24Å; A472-S476 VanDerWaalsContact O-CB 3.31Å; A472-S476 WeakPolarHBondContact O-CB 3.31Å; A472-S476 PolarHBondContact O-N 3.41Å; A472-S476 PolarHBondContact O-OG 3.05Å; A472-P718 HydrophobicContact CB-CB 3.9Å; A472-P718 HydrophobicContact CB-CG 3.98Å
473	S	89.3	Confident	91.2	Very high	79 Å²	79	29.6 Å²	29.6	55%	0.552	18%	0.177	S	C	*	.	H	α-helix	trans	-68.4	-34.8	-179.6	-58.4	0	0	0	0	113	E469 A470 T471 M475	E469-S473 VanDerWaalsContact O-CB 3.31Å; E469-S473 WeakPolarHBondContact O-CB 3.45Å; E469-S473 PolarHBondContact O-N 2.98Å; E469-S473 PolarHBondContact O-OG 2.98Å; A470-S473 PolarHBondContact O-N 3.45Å; T471-S473 VanDerWaalsContact C-N 3.29Å; T471-S473 PolarHBondContact O-N 2.81Å; S473-M475 VanDerWaalsContact C-N 3.32Å
474	S	87.5	Confident	91.3	Very high	29 Å²	29	28.6 Å²	28.6	20%	0.203	17%	0.173	C	C	.	.	H	α-helix	trans	-72.1	-27.1	179.1	72.4	0	0	0	0	112.6	Q443 A470 T471	Q443-S474 PolarHBondContact NE2-O 3.43Å; A470-S474 WeakPolarHBondContact O-CB 3.22Å; A470-S474 PolarHBondContact O-N 3.37Å; A470-S474 PolarHBondContact O-OG 2.97Å; T471-S474 PolarHBondContact O-N 2.86Å; T471-S474 PolarHBondContact O-OG 3.21Å
475	M	87.9	Confident	91.3	Very high	47 Å²	47	28.3 Å²	28.3	23%	0.232	17%	0.17	C	C	.	.	H	α-helix	trans	-93.4	-22.4	178.4	-62.9	178.3	71.8	0	0	113.2	T471 A472 S473 F715 Y721	T471-M475 HydrophobicContact CG2-SD 4.16Å; T471-M475 WeakPolarHBondContact O-CG 3.36Å; T471-M475 PolarHBondContact O-N 2.9Å; A472-M475 PolarHBondContact O-N 3.24Å; S473-M475 VanDerWaalsContact C-N 3.32Å; M475-F715 HydrophobicContact CB-CD2 3.67Å; M475-F715 HydrophobicContact CB-CE2 3.55Å; M475-F715 HydrophobicContact CB-CZ 4.41Å; M475-F715 HydrophobicContact CE-CE1 4.32Å; M475-F715 HydrophobicContact CE-CE2 4.34Å; M475-F715 HydrophobicContact CE-CZ 4.18Å; M475-Y721 HydrophobicContact CE-CD1 3.26Å; M475-Y721 HydrophobicContact CE-CD2 3.82Å; M475-Y721 HydrophobicContact CE-CE1 3.6Å; M475-Y721 HydrophobicContact CE-CE2 4.15Å; M475-Y721 HydrophobicContact CE-CG 3.38Å; M475-Y721 HydrophobicContact SD-CD1 4.07Å; M475-Y721 HydrophobicContact SD-CD2 3.7Å; M475-Y721 HydrophobicContact SD-CE2 4.41Å; M475-Y721 HydrophobicContact SD-CG 3.51Å; M475-Y721 VanDerWaalsContact SD-CG 3.51Å
476	S	91.4	Very high	91.5	Very high	35 Å²	35	31.8 Å²	31.8	25%	0.245	18%	0.183	C	C	.	.			trans	-70.5	132.9	-178.3	-64.1	0	0	0	0	111.3	A472 V713	A472-S476 VanDerWaalsContact O-CB 3.31Å; A472-S476 WeakPolarHBondContact O-CB 3.31Å; A472-S476 PolarHBondContact O-N 3.41Å; A472-S476 PolarHBondContact O-OG 3.05Å; S476-V713 VanDerWaalsContact CA-O 3.29Å; S476-V713 WeakPolarHBondContact CA-O 3.35Å; S476-V713 VanDerWaalsContact CB-O 3.24Å; S476-V713 WeakPolarHBondContact CB-O 3.07Å; S476-V713 PolarHBondContact OG-O 3.48Å
477	V	91.9	Very high	91.5	Very high	22 Å²	22	34.1 Å²	34.1	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.9	179.1	-176.2	0	0	0	0	109.5	K658 F662 A665 R712 V713	V477-K658 HydrophobicContact CG1-CB 4.48Å; V477-K658 WeakPolarHBondContact CG1-O 3.48Å; V477-F662 HydrophobicContact CB-CB 4.46Å; V477-F662 HydrophobicContact CG1-CB 3.92Å; V477-A665 HydrophobicContact CG2-CB 4.41Å; V477-R712 CarbonylContact O-C 3.59Å; V477-R712 VanDerWaalsContact O-CA 3.3Å; V477-R712 WeakPolarHBondContact O-CA 3.3Å; V477-V713 PolarHBondContact O-N 3.03Å
478	S	92.7	Very high	91.4	Very high	55 Å²	55	34 Å²	34	39%	0.385	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.8	176.7	62.7	0	0	0	0	111.7	L711	S478-L711 CarbonylContact C-O 3.53Å; S478-L711 WeakPolarHBondContact CA-O 3.44Å
479	L	93.6	Very high	91.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.3	175.6	-66	179.1	0	0	0	109.6	D484 L485 K658 F659 F662 C710 L711	L479-D484 HydrophobicContact CD2-CB 4.16Å; L479-L485 HydrophobicContact CD1-CD2 4.22Å; L479-K658 HydrophobicContact CD2-CB 3.69Å; L479-F659 HydrophobicContact CD1-CD2 4.08Å; L479-F659 HydrophobicContact CD2-CB 4.46Å; L479-F662 HydrophobicContact CD1-CB 3.71Å; L479-F662 HydrophobicContact CD1-CD1 3.5Å; L479-F662 HydrophobicContact CD1-CD2 3.72Å; L479-F662 HydrophobicContact CD1-CE1 4Å; L479-F662 HydrophobicContact CD1-CE2 4.19Å; L479-F662 HydrophobicContact CD1-CG 3.35Å; L479-F662 HydrophobicContact CD1-CZ 4.33Å; L479-F662 HydrophobicContact CD2-CB 4.48Å; L479-F662 HydrophobicContact CG-CB 4.08Å; L479-F662 HydrophobicContact CG-CD2 4.02Å; L479-F662 HydrophobicContact CG-CG 4Å; L479-C710 CarbonylContact O-C 3.48Å; L479-C710 VanDerWaalsContact O-CA 3.27Å; L479-C710 WeakPolarHBondContact O-CA 3.44Å; L479-L711 PolarHBondContact N-O 3.14Å; L479-L711 PolarHBondContact O-N 3.14Å
480	S	92.6	Very high	91.6	Very high	14 Å²	14	34.9 Å²	34.9	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	138.8	170.5	151.1	0	0	0	0	110.1	V482 N483 D484 L485 D708	S480-V482 PolarHBondContact OG-N 2.98Å; S480-N483 WeakPolarHBondContact OG-CB 3.38Å; S480-N483 PolarHBondContact OG-N 3.27Å; S480-D484 PolarHBondContact N-OD2 3.47Å; S480-D484 WeakPolarHBondContact O-CA 3.34Å; S480-D484 WeakPolarHBondContact O-CB 3.33Å; S480-D484 PolarHBondContact O-N 2.92Å; S480-D484 VanDerWaalsContact O-N 3.09Å; S480-L485 PolarHBondContact O-N 3.08Å; S480-L485 VanDerWaalsContact O-N 3.09Å; S480-D708 PolarHBondContact OG-OD2 3.35Å
481	L	92.6	Very high	91.6	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	19%	0.19	C	C	.	.	I	π-helix	trans	-58.1	-57.1	176.1	171.7	62.3	0	0	0	110	L485 Y486 K522 L525 D708 L709	L481-L485 HydrophobicContact CD1-CD1 4.12Å; L481-L485 WeakPolarHBondContact O-CB 3.14Å; L481-L485 PolarHBondContact O-N 3.03Å; L481-Y486 HydrophobicContact CD1-CD2 4.25Å; L481-Y486 HydrophobicContact CD1-CE2 3.9Å; L481-Y486 HydrophobicContact CG-CD2 4.36Å; L481-Y486 HydrophobicContact CG-CE2 4.02Å; L481-Y486 WeakPolarHBondContact O-CD2 3.43Å; L481-Y486 PolarHBondContact O-N 3.28Å; L481-Y486 VanDerWaalsContact O-N 3.16Å; L481-K522 HydrophobicContact CD1-CB 4.14Å; L481-K522 HydrophobicContact CD1-CG 3.84Å; L481-L525 HydrophobicContact CB-CD1 4.19Å; L481-L525 HydrophobicContact CD1-CB 4.08Å; L481-L525 HydrophobicContact CD1-CD1 4.12Å; L481-L525 HydrophobicContact CD2-CB 4.18Å; L481-D708 WeakPolarHBondContact CB-OD1 3.49Å; L481-L709 WeakPolarHBondContact CB-O 3.3Å; L481-L709 PolarHBondContact N-O 3.27Å
482	V	87.8	Confident	91.7	Very high	46 Å²	46	34.1 Å²	34.1	28%	0.279	19%	0.189	S	C	.	.	I	π-helix	trans	-74.6	-48.1	-176.6	177.1	0	0	0	0	112.3	S480 L686 D708	S480-V482 PolarHBondContact OG-N 2.98Å; V482-L686 HydrophobicContact CG1-CD1 3.91Å; V482-D708 HydrophobicContact CG2-CB 4.41Å; V482-D708 WeakPolarHBondContact CG2-OD1 3.42Å; V482-D708 PolarHBondContact N-OD1 3.43Å
483	N	86.6	Confident	91.8	Very high	53 Å²	53	34.8 Å²	34.8	28%	0.283	19%	0.192	S	C	.	.	I	π-helix	trans	-79.7	-24.2	-170.2	-77.3	-55.9	0	0	0	114.5	S480 K487 S655	S480-N483 WeakPolarHBondContact OG-CB 3.38Å; S480-N483 PolarHBondContact OG-N 3.27Å; N483-K487 WeakPolarHBondContact O-CD 3.3Å; N483-K487 WeakPolarHBondContact O-CE 3.2Å; N483-K487 PolarHBondContact O-NZ 3.31Å; N483-K487 PolarHBondContact OD1-NZ 3.11Å; N483-S655 PolarHBondContact O-OG 2.74Å
484	D	92.4	Very high	91.8	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	17%	0.169	C	C	.	.	I	π-helix	trans	-112.7	-61	-179.4	-55.2	-51.3	0	0	0	110.8	L479 S480 Y486 K487 L488 S655 K658	L479-D484 HydrophobicContact CD2-CB 4.16Å; S480-D484 PolarHBondContact N-OD2 3.47Å; S480-D484 WeakPolarHBondContact O-CA 3.34Å; S480-D484 WeakPolarHBondContact O-CB 3.33Å; S480-D484 PolarHBondContact O-N 2.92Å; S480-D484 VanDerWaalsContact O-N 3.09Å; D484-Y486 PolarHBondContact O-N 3.43Å; D484-K487 PolarHBondContact O-N 3.09Å; D484-L488 WeakPolarHBondContact O-CB 3.21Å; D484-L488 WeakPolarHBondContact O-CD1 3.44Å; D484-L488 WeakPolarHBondContact O-CG 3.39Å; D484-L488 PolarHBondContact O-N 2.92Å; D484-S655 VanDerWaalsContact OD1-CB 3.26Å; D484-S655 WeakPolarHBondContact OD1-CB 3.43Å; D484-S655 PolarHBondContact OD1-OG 3.3Å; D484-K658 IonicContact OD1-NZ 3.56Å; D484-K658 IonicContact OD2-NZ 3.57Å
485	L	94.5	Very high	92.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-65.9	-44.6	-170	-60.1	179.3	0	0	0	114.3	L479 S480 L481 K487 L488 E489 I518 L521 K522 L525	L479-L485 HydrophobicContact CD1-CD2 4.22Å; S480-L485 PolarHBondContact O-N 3.08Å; S480-L485 VanDerWaalsContact O-N 3.09Å; L481-L485 HydrophobicContact CD1-CD1 4.12Å; L481-L485 WeakPolarHBondContact O-CB 3.14Å; L481-L485 PolarHBondContact O-N 3.03Å; L485-K487 PolarHBondContact O-N 3.2Å; L485-L488 PolarHBondContact O-N 2.89Å; L485-E489 PolarHBondContact O-N 2.88Å; L485-I518 HydrophobicContact CB-CG2 4.23Å; L485-I518 HydrophobicContact CD2-CG2 4.36Å; L485-I518 WeakPolarHBondContact O-CG2 3.31Å; L485-L521 HydrophobicContact CD1-CB 4.14Å; L485-K522 HydrophobicContact CB-CD 4.32Å; L485-K522 HydrophobicContact CB-CG 3.79Å; L485-K522 HydrophobicContact CD1-CG 4.21Å; L485-L525 HydrophobicContact CD1-CD1 3.56Å
486	Y	93.9	Very high	92.3	Very high	85 Å²	85	28.8 Å²	28.8	33%	0.333	15%	0.154	S	C	.	.	I	π-helix	trans	-62.2	-43	176.9	-86.9	-93.7	0	0	0	111.9	L481 D484 E489 E490 K522 N526	L481-Y486 HydrophobicContact CD1-CD2 4.25Å; L481-Y486 HydrophobicContact CD1-CE2 3.9Å; L481-Y486 HydrophobicContact CG-CD2 4.36Å; L481-Y486 HydrophobicContact CG-CE2 4.02Å; L481-Y486 WeakPolarHBondContact O-CD2 3.43Å; L481-Y486 PolarHBondContact O-N 3.28Å; L481-Y486 VanDerWaalsContact O-N 3.16Å; D484-Y486 PolarHBondContact O-N 3.43Å; Y486-E489 PolarHBondContact O-N 3.19Å; Y486-E490 PolarHBondContact O-N 3.42Å; Y486-E490 VanDerWaalsContact O-N 3.08Å; Y486-K522 HydrophobicContact CD2-CD 4.29Å; Y486-K522 HydrophobicContact CE2-CD 4.39Å; Y486-K522 HydrophobicContact CG-CD 4.38Å; Y486-K522 VanDerWaalsContact CZ-CE 3.43Å; Y486-N526 PolarHBondContact OH-ND2 3.37Å
487	K	90.6	Very high	92.3	Very high	65 Å²	65	34.1 Å²	34.1	28%	0.283	18%	0.175	S	C	.	.	H	α-helix	trans	-67.4	-37.5	179.7	-59.6	-168.9	-167.5	142.1	0	112	N483 D484 L485 E490 L491 I652	N483-K487 WeakPolarHBondContact O-CD 3.3Å; N483-K487 WeakPolarHBondContact O-CE 3.2Å; N483-K487 PolarHBondContact O-NZ 3.31Å; N483-K487 PolarHBondContact OD1-NZ 3.11Å; D484-K487 PolarHBondContact O-N 3.09Å; L485-K487 PolarHBondContact O-N 3.2Å; K487-E490 PolarHBondContact O-N 3.45Å; K487-L491 WeakPolarHBondContact O-CB 3.49Å; K487-L491 PolarHBondContact O-N 3.09Å; K487-I652 HydrophobicContact CB-CD1 3.56Å; K487-I652 WeakPolarHBondContact O-CD1 3.36Å
488	L	94.1	Very high	92.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-42.5	175.4	-69.6	166.7	0	0	0	111.6	D484 L485 E490 L491 F492 I518 L656 F659	D484-L488 WeakPolarHBondContact O-CB 3.21Å; D484-L488 WeakPolarHBondContact O-CD1 3.44Å; D484-L488 WeakPolarHBondContact O-CG 3.39Å; D484-L488 PolarHBondContact O-N 2.92Å; L485-L488 PolarHBondContact O-N 2.89Å; L488-E490 VanDerWaalsContact C-N 3.32Å; L488-E490 PolarHBondContact O-N 3.41Å; L488-L491 WeakPolarHBondContact O-CB 3.31Å; L488-L491 PolarHBondContact O-N 3.43Å; L488-F492 HydrophobicContact CB-CD2 4.44Å; L488-F492 HydrophobicContact CB-CE2 4.35Å; L488-F492 HydrophobicContact CD2-CE2 4.43Å; L488-F492 WeakPolarHBondContact O-CD2 3.47Å; L488-F492 PolarHBondContact O-N 2.86Å; L488-I518 HydrophobicContact CB-CD1 3.92Å; L488-L656 HydrophobicContact CD2-CB 4.06Å; L488-L656 HydrophobicContact CD2-CD1 3.66Å; L488-L656 HydrophobicContact CD2-CG 4.48Å; L488-F659 HydrophobicContact CD1-CB 3.56Å; L488-F659 HydrophobicContact CD1-CD2 4.08Å; L488-F659 HydrophobicContact CD1-CG 3.82Å
489	E	94.5	Very high	92	Very high	33 Å²	33	35.3 Å²	35.3	15%	0.154	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-42.5	175.5	-173.9	-174.5	-177.9	0	0	112	L485 Y486 L491 F492 S493 K515 I518 Q519 K522	L485-E489 PolarHBondContact O-N 2.88Å; Y486-E489 PolarHBondContact O-N 3.19Å; E489-L491 VanDerWaalsContact C-N 3.35Å; E489-F492 PolarHBondContact O-N 3.21Å; E489-S493 WeakPolarHBondContact O-CB 3.42Å; E489-S493 PolarHBondContact O-N 2.8Å; E489-S493 PolarHBondContact O-OG 2.81Å; E489-K515 HydrophobicContact CG-CG 4.48Å; E489-I518 HydrophobicContact CB-CG2 4.06Å; E489-Q519 HydrophobicContact CG-CG 4.27Å; E489-Q519 VanDerWaalsContact OE1-CG 3.23Å; E489-Q519 WeakPolarHBondContact OE1-CG 3.32Å; E489-Q519 PolarHBondContact OE1-NE2 3.38Å; E489-K522 WeakPolarHBondContact OE2-CD 3.42Å; E489-K522 WeakPolarHBondContact OE2-CE 3.46Å; E489-K522 IonicContact OE2-NZ 2.97Å; E489-K522 PolarHBondContact OE2-NZ 3.49Å
490	E	91.6	Very high	91.7	Very high	122 Å²	122	44.3 Å²	44.3	57%	0.57	20%	0.203	S	C	*	.	H	α-helix	trans	-60.1	-46.1	175.3	-173.3	-179.6	177.6	0	0	110.9	Y486 K487 L488 S493 G494	Y486-E490 PolarHBondContact O-N 3.42Å; Y486-E490 VanDerWaalsContact O-N 3.08Å; K487-E490 PolarHBondContact O-N 3.45Å; L488-E490 VanDerWaalsContact C-N 3.32Å; L488-E490 PolarHBondContact O-N 3.41Å; E490-S493 PolarHBondContact O-N 2.76Å; E490-G494 PolarHBondContact O-N 3.04Å
491	L	92.7	Very high	91.4	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-53.4	176.6	176.2	60.3	0	0	0	112.2	K487 L488 E489 S493 G494 Y495 L578 F581 I652 L656	K487-L491 WeakPolarHBondContact O-CB 3.49Å; K487-L491 PolarHBondContact O-N 3.09Å; L488-L491 WeakPolarHBondContact O-CB 3.31Å; L488-L491 PolarHBondContact O-N 3.43Å; E489-L491 VanDerWaalsContact C-N 3.35Å; L491-S493 VanDerWaalsContact C-N 3.31Å; L491-S493 PolarHBondContact O-N 3.45Å; L491-G494 PolarHBondContact O-N 3.12Å; L491-Y495 WeakPolarHBondContact O-CB 2.98Å; L491-Y495 PolarHBondContact O-N 3.04Å; L491-L578 HydrophobicContact CD2-CB 4.26Å; L491-F581 HydrophobicContact CD1-CD1 4.06Å; L491-I652 HydrophobicContact CB-CD1 4.28Å; L491-I652 HydrophobicContact CD2-CD1 4.25Å; L491-I652 HydrophobicContact CD2-CG1 3.92Å; L491-L656 HydrophobicContact CD2-CD1 4.36Å; L491-L656 HydrophobicContact CD2-CD2 4.39Å
492	F	94.6	Very high	91.1	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-35.5	-179.3	-73.8	-67.1	0	0	0	111.9	L488 E489 L496 L511 I514 K515 I518 L569 L578 L656	L488-F492 HydrophobicContact CB-CD2 4.44Å; L488-F492 HydrophobicContact CB-CE2 4.35Å; L488-F492 HydrophobicContact CD2-CE2 4.43Å; L488-F492 WeakPolarHBondContact O-CD2 3.47Å; L488-F492 PolarHBondContact O-N 2.86Å; E489-F492 PolarHBondContact O-N 3.21Å; F492-L496 VanDerWaalsContact O-CB 3.27Å; F492-L496 WeakPolarHBondContact O-CB 3.45Å; F492-L496 WeakPolarHBondContact O-CG 3.44Å; F492-L496 PolarHBondContact O-N 2.6Å; F492-L511 HydrophobicContact CD1-CD2 3.95Å; F492-L511 HydrophobicContact CE1-CD2 3.93Å; F492-I514 HydrophobicContact CD1-CG2 4.4Å; F492-I514 HydrophobicContact CD2-CG2 4.07Å; F492-I514 HydrophobicContact CE1-CG2 3.99Å; F492-I514 HydrophobicContact CE2-CG2 3.67Å; F492-I514 HydrophobicContact CG-CG2 4.45Å; F492-I514 HydrophobicContact CZ-CG2 3.63Å; F492-K515 HydrophobicContact CB-CB 4.39Å; F492-I518 HydrophobicContact CD2-CD1 3.49Å; F492-I518 VanDerWaalsContact CD2-CD1 3.49Å; F492-I518 HydrophobicContact CE2-CD1 3.54Å; F492-L569 HydrophobicContact CE1-CD2 4.35Å; F492-L569 HydrophobicContact CZ-CD2 4.18Å; F492-L578 HydrophobicContact CE1-CD1 3.67Å; F492-L578 HydrophobicContact CZ-CD1 4.1Å; F492-L656 HydrophobicContact CE2-CD1 4.35Å; F492-L656 HydrophobicContact CZ-CD1 3.98Å
493	S	93.9	Very high	91	Very high	28 Å²	28	53.3 Å²	53.3	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-47.2	176.4	-61.9	0	0	0	0	112	E489 E490 L491 Y495 L496 Q497 K515	E489-S493 WeakPolarHBondContact O-CB 3.42Å; E489-S493 PolarHBondContact O-N 2.8Å; E489-S493 PolarHBondContact O-OG 2.81Å; E490-S493 PolarHBondContact O-N 2.76Å; L491-S493 VanDerWaalsContact C-N 3.31Å; L491-S493 PolarHBondContact O-N 3.45Å; S493-Y495 VanDerWaalsContact C-N 3.34Å; S493-Y495 PolarHBondContact O-N 2.87Å; S493-L496 PolarHBondContact O-N 2.99Å; S493-Q497 VanDerWaalsContact O-CB 3.29Å; S493-Q497 WeakPolarHBondContact O-CB 3.4Å; S493-Q497 PolarHBondContact O-N 3.24Å; S493-K515 VanDerWaalsContact OG-CE 3.3Å; S493-K515 WeakPolarHBondContact OG-CE 3.4Å; S493-K515 PolarHBondContact OG-NZ 3.42Å
494	G	91.3	Very high	91	Very high	5 Å²	5	51.9 Å²	51.9	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-44.4	176.8	0	0	0	0	0	111.5	E490 L491 Q497 Y498	E490-G494 PolarHBondContact O-N 3.04Å; L491-G494 PolarHBondContact O-N 3.12Å; G494-Q497 PolarHBondContact O-N 3.33Å; G494-Y498 VanDerWaalsContact O-CB 3.3Å; G494-Y498 WeakPolarHBondContact O-CB 3.21Å; G494-Y498 PolarHBondContact O-N 3.34Å
495	Y	92.5	Very high	90.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-47	178.5	-170.9	-88.2	0	0	0	112.1	F236 L491 S493 Q497 Y498 Y499 L503 L511 F574 L578 F581	F236-Y495 PolarHBondContact O-OH 3.13Å; L491-Y495 WeakPolarHBondContact O-CB 2.98Å; L491-Y495 PolarHBondContact O-N 3.04Å; S493-Y495 VanDerWaalsContact C-N 3.34Å; S493-Y495 PolarHBondContact O-N 2.87Å; Y495-Q497 VanDerWaalsContact C-N 3.3Å; Y495-Q497 PolarHBondContact O-N 3.15Å; Y495-Y498 PolarHBondContact O-N 2.61Å; Y495-Y499 HydrophobicContact CD1-CD2 4.34Å; Y495-Y499 AromaticContact CD2-CD2 3.73Å; Y495-Y499 HydrophobicContact CD2-CD2 3.73Å; Y495-Y499 AromaticContact CD2-CE2 3.91Å; Y495-Y499 HydrophobicContact CD2-CE2 3.91Å; Y495-Y499 HydrophobicContact CE1-CD2 4.05Å; Y495-Y499 AromaticContact CE2-CD2 3.38Å; Y495-Y499 HydrophobicContact CE2-CD2 3.38Å; Y495-Y499 AromaticContact CE2-CE2 3.45Å; Y495-Y499 HydrophobicContact CE2-CE2 3.45Å; Y495-Y499 VanDerWaalsContact CE2-CE2 3.45Å; Y495-Y499 HydrophobicContact CG-CD2 4.18Å; Y495-Y499 AromaticContact CZ-CD2 3.52Å; Y495-Y499 AromaticContact CZ-CE2 3.98Å; Y495-Y499 PolarHBondContact O-N 3.19Å; Y495-L503 HydrophobicContact CD1-CD1 4.4Å; Y495-L503 HydrophobicContact CE1-CD1 4.19Å; Y495-L503 HydrophobicContact CE1-CD2 3.63Å; Y495-L503 HydrophobicContact CE1-CG 4.49Å; Y495-L511 HydrophobicContact CD1-CD1 3.79Å; Y495-L511 HydrophobicContact CE1-CD1 3.84Å; Y495-F574 HydrophobicContact CD1-CZ 4.13Å; Y495-F574 AromaticContact CE1-CE2 3.78Å; Y495-F574 HydrophobicContact CE1-CE2 3.78Å; Y495-F574 AromaticContact CE1-CZ 3.58Å; Y495-F574 HydrophobicContact CE1-CZ 3.58Å; Y495-F574 HydrophobicContact CE2-CE2 4.34Å; Y495-F574 AromaticContact CZ-CE2 3.6Å; Y495-F574 AromaticContact CZ-CZ 3.84Å; Y495-F574 WeakPolarHBondContact OH-CE2 3.38Å; Y495-L578 HydrophobicContact CD1-CD2 4.21Å; Y495-L578 HydrophobicContact CD2-CD2 3.76Å; Y495-L578 HydrophobicContact CE2-CD2 4.24Å; Y495-L578 HydrophobicContact CG-CD2 3.76Å; Y495-F581 HydrophobicContact CD2-CB 4.05Å; Y495-F581 AromaticContact CD2-CD1 3.76Å; Y495-F581 HydrophobicContact CD2-CD1 3.76Å; Y495-F581 HydrophobicContact CD2-CD2 4.11Å; Y495-F581 HydrophobicContact CD2-CE1 4.25Å; Y495-F581 AromaticContact CD2-CG 3.68Å; Y495-F581 HydrophobicContact CD2-CG 3.68Å; Y495-F581 HydrophobicContact CE2-CB 4.4Å; Y495-F581 HydrophobicContact CE2-CG 4.37Å; Y495-F581 HydrophobicContact CG-CD1 4.41Å
496	L	92.6	Very high	90.3	Very high	24 Å²	24	58.9 Å²	58.9	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-36.1	176	-84.4	169.9	0	0	0	112.8	F492 S493 R500 L503 L511 R512 K515	F492-L496 VanDerWaalsContact O-CB 3.27Å; F492-L496 WeakPolarHBondContact O-CB 3.45Å; F492-L496 WeakPolarHBondContact O-CG 3.44Å; F492-L496 PolarHBondContact O-N 2.6Å; S493-L496 PolarHBondContact O-N 2.99Å; L496-R500 VanDerWaalsContact O-CA 3.23Å; L496-R500 WeakPolarHBondContact O-CA 3.47Å; L496-R500 VanDerWaalsContact O-CB 3.28Å; L496-R500 WeakPolarHBondContact O-CB 3.33Å; L496-R500 PolarHBondContact O-N 3.25Å; L496-L503 HydrophobicContact CD2-CD1 4.02Å; L496-L511 HydrophobicContact CD1-CB 4.17Å; L496-L511 HydrophobicContact CD2-CB 3.81Å; L496-L511 HydrophobicContact CD2-CD1 4.28Å; L496-L511 HydrophobicContact CG-CB 4Å; L496-R512 HydrophobicContact CD1-CG 3.98Å; L496-R512 HydrophobicContact CD2-CG 4.3Å; L496-K515 HydrophobicContact CD1-CD 4.33Å
497	Q	91.4	Very high	90	Very high	147 Å²	147	55.2 Å²	55.2	69%	0.687	28%	0.276	S	S	*	.	H	α-helix	trans	-73.8	-45.8	179.2	-178.2	174	-3.9	0	0	111.4	S493 G494 Y495 R500	S493-Q497 VanDerWaalsContact O-CB 3.29Å; S493-Q497 WeakPolarHBondContact O-CB 3.4Å; S493-Q497 PolarHBondContact O-N 3.24Å; G494-Q497 PolarHBondContact O-N 3.33Å; Y495-Q497 VanDerWaalsContact C-N 3.3Å; Y495-Q497 PolarHBondContact O-N 3.15Å; Q497-R500 WeakPolarHBondContact O-CB 3.47Å
498	Y	89	Confident	90	Very high	98 Å²	98	52.4 Å²	52.4	38%	0.384	27%	0.265	S	S	.	.	H	α-helix	trans	-67.5	-45.9	-177.2	-170.9	-102.1	0	0	0	112.1	D233 G494 Y495 F581 W584	D233-Y498 PolarHBondContact OD2-OH 2.59Å; G494-Y498 VanDerWaalsContact O-CB 3.3Å; G494-Y498 WeakPolarHBondContact O-CB 3.21Å; G494-Y498 PolarHBondContact O-N 3.34Å; Y495-Y498 PolarHBondContact O-N 2.61Å; Y498-F581 AromaticContact CD1-CE2 3.72Å; Y498-F581 HydrophobicContact CD1-CE2 3.72Å; Y498-F581 HydrophobicContact CE1-CE2 4.49Å; Y498-F581 AromaticContact CG-CE2 3.83Å; Y498-F581 HydrophobicContact CG-CE2 3.83Å; Y498-F581 HydrophobicContact CG-CZ 4.31Å; Y498-W584 HydrophobicContact CD1-CZ3 4.41Å; Y498-W584 HydrophobicContact CD2-CH2 4.21Å; Y498-W584 HydrophobicContact CD2-CZ3 4.27Å; Y498-W584 AromaticContact CE1-CH2 3.88Å; Y498-W584 HydrophobicContact CE1-CH2 3.88Å; Y498-W584 HydrophobicContact CE1-CZ3 4.06Å; Y498-W584 AromaticContact CE2-CH2 3.45Å; Y498-W584 HydrophobicContact CE2-CH2 3.45Å; Y498-W584 VanDerWaalsContact CE2-CH2 3.45Å; Y498-W584 AromaticContact CE2-CZ3 3.95Å; Y498-W584 HydrophobicContact CE2-CZ3 3.95Å; Y498-W584 AromaticContact CZ-CH2 3.24Å; Y498-W584 AromaticContact CZ-CZ3 3.83Å; Y498-W584 WeakPolarHBondContact OH-CH2 3.43Å
499	Y	89.5	Confident	89.8	Confident	3 Å²	3	56.2 Å²	56.2	1%	0.012	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	15.3	-179	-66.1	-61.8	0	0	0	114.1	D233 F236 L237 Y495 S501 R502 L503 F581	D233-Y499 PolarHBondContact O-OH 2.96Å; F236-Y499 HydrophobicContact CB-CE2 4.29Å; F236-Y499 WeakPolarHBondContact CB-OH 3.28Å; L237-Y499 HydrophobicContact CD1-CD1 3.48Å; L237-Y499 VanDerWaalsContact CD1-CD1 3.48Å; L237-Y499 HydrophobicContact CD1-CE1 3.17Å; L237-Y499 HydrophobicContact CD2-CD1 3.62Å; L237-Y499 HydrophobicContact CD2-CE1 4.13Å; L237-Y499 HydrophobicContact CD2-CG 4.05Å; L237-Y499 HydrophobicContact CG-CD1 3.44Å; L237-Y499 VanDerWaalsContact CG-CD1 3.44Å; L237-Y499 HydrophobicContact CG-CE1 3.41Å; L237-Y499 VanDerWaalsContact CG-CE1 3.41Å; L237-Y499 HydrophobicContact CG-CG 4.07Å; Y495-Y499 HydrophobicContact CD1-CD2 4.34Å; Y495-Y499 AromaticContact CD2-CD2 3.73Å; Y495-Y499 HydrophobicContact CD2-CD2 3.73Å; Y495-Y499 AromaticContact CD2-CE2 3.91Å; Y495-Y499 HydrophobicContact CD2-CE2 3.91Å; Y495-Y499 HydrophobicContact CE1-CD2 4.05Å; Y495-Y499 AromaticContact CE2-CD2 3.38Å; Y495-Y499 HydrophobicContact CE2-CD2 3.38Å; Y495-Y499 AromaticContact CE2-CE2 3.45Å; Y495-Y499 HydrophobicContact CE2-CE2 3.45Å; Y495-Y499 VanDerWaalsContact CE2-CE2 3.45Å; Y495-Y499 HydrophobicContact CG-CD2 4.18Å; Y495-Y499 AromaticContact CZ-CD2 3.52Å; Y495-Y499 AromaticContact CZ-CE2 3.98Å; Y495-Y499 PolarHBondContact O-N 3.19Å; Y499-S501 PolarHBondContact O-N 3.42Å; Y499-R502 PolarHBondContact O-N 3.02Å; Y499-L503 WeakPolarHBondContact O-CG 3.36Å; Y499-L503 PolarHBondContact O-N 3.22Å; Y499-L503 VanDerWaalsContact O-N 3.08Å; Y499-F581 AromaticContact CE2-CD2 3.76Å; Y499-F581 HydrophobicContact CE2-CD2 3.76Å; Y499-F581 HydrophobicContact CE2-CE2 4.03Å
500	R	86.3	Confident	89.7	Confident	189 Å²	189	56 Å²	56	71%	0.713	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-42.5	-173.2	-174.2	178.2	172.4	82.7	0.5	114.4	L496 Q497	L496-R500 VanDerWaalsContact O-CA 3.23Å; L496-R500 WeakPolarHBondContact O-CA 3.47Å; L496-R500 VanDerWaalsContact O-CB 3.28Å; L496-R500 WeakPolarHBondContact O-CB 3.33Å; L496-R500 PolarHBondContact O-N 3.25Å; Q497-R500 WeakPolarHBondContact O-CB 3.47Å
501	S	86.3	Confident	89.7	Confident	116 Å²	116	50.2 Å²	50.2	81%	0.811	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.6	-177.1	60.3	0	0	0	0	114.6	Y499	Y499-S501 PolarHBondContact O-N 3.42Å
502	R	86.4	Confident	89.8	Confident	117 Å²	117	56 Å²	56	44%	0.442	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-13	-172.5	-62.9	-179.1	71.3	169.9	7.3	113.8	E234 L237 Y499	E234-R502 IonicContact OE1-CZ 3.65Å; E234-R502 IonicContact OE1-NH1 3.66Å; E234-R502 IonicContact OE1-NH2 3.79Å; E234-R502 PolarHBondContact OE1-NH2 2.76Å; L237-R502 VanDerWaalsContact CD1-NE 3.34Å; L237-R502 HydrophobicContact CD2-CB 3.53Å; Y499-R502 PolarHBondContact O-N 3.02Å
503	L	85.2	Confident	89.7	Confident	20 Å²	20	59 Å²	59	11%	0.105	29%	0.291	C	S	.	.	S	Bend	trans	-75.6	141.3	177.6	-67.1	168.6	0	0	0	111.1	Y495 L496 Y499 L507 A508 L511	Y495-L503 HydrophobicContact CD1-CD1 4.4Å; Y495-L503 HydrophobicContact CE1-CD1 4.19Å; Y495-L503 HydrophobicContact CE1-CD2 3.63Å; Y495-L503 HydrophobicContact CE1-CG 4.49Å; L496-L503 HydrophobicContact CD2-CD1 4.02Å; Y499-L503 WeakPolarHBondContact O-CG 3.36Å; Y499-L503 PolarHBondContact O-N 3.22Å; Y499-L503 VanDerWaalsContact O-N 3.08Å; L503-L507 HydrophobicContact CD2-CD2 3.78Å; L503-L507 HydrophobicContact CD2-CG 4.34Å; L503-A508 HydrophobicContact CB-CB 4.04Å; L503-L511 HydrophobicContact CD1-CD1 4.2Å
504	S	86.7	Confident	89.8	Confident	24 Å²	24	57.7 Å²	57.7	17%	0.168	28%	0.282	C	S	.	.			trans	-59.1	150.7	168.1	70.8	0	0	0	0	110.4	V506 L507 A508	S504-V506 PolarHBondContact O-N 3.24Å; S504-L507 PolarHBondContact O-N 3.48Å; S504-L507 WeakPolarHBondContact OG-CB 3.48Å; S504-L507 PolarHBondContact OG-N 3.14Å; S504-L507 VanDerWaalsContact OG-N 3.13Å; S504-A508 WeakPolarHBondContact O-CB 3.38Å; S504-A508 PolarHBondContact O-N 3.34Å
505	S	86.4	Confident	89.9	Confident	101 Å²	101	60 Å²	60	71%	0.706	29%	0.291	S	S	*	.	H	α-helix	trans	-55.5	-40.9	178.9	53.2	0	0	0	0	111.7	L509	S505-L509 WeakPolarHBondContact O-CB 3.43Å; S505-L509 PolarHBondContact O-N 3.48Å
506	V	86.6	Confident	90	Very high	50 Å²	50	64.1 Å²	64.1	30%	0.303	31%	0.309	S	S	.	.	H	α-helix	trans	-67.7	-52.9	-179.9	-178.8	0	0	0	0	111.6	L244 F245 S504 A508 L509 R510	L244-V506 HydrophobicContact CD2-CB 4.1Å; L244-V506 HydrophobicContact CD2-CG1 3.59Å; F245-V506 HydrophobicContact CD2-CG1 3.86Å; F245-V506 HydrophobicContact CE2-CG1 3.26Å; F245-V506 HydrophobicContact CZ-CG1 4.27Å; S504-V506 PolarHBondContact O-N 3.24Å; V506-A508 VanDerWaalsContact C-N 3.31Å; V506-A508 PolarHBondContact O-N 3.39Å; V506-L509 WeakPolarHBondContact O-CB 3.41Å; V506-L509 PolarHBondContact O-N 2.84Å; V506-L509 VanDerWaalsContact O-N 3.13Å; V506-R510 WeakPolarHBondContact O-CG 3.25Å; V506-R510 PolarHBondContact O-N 3.28Å
507	L	86.9	Confident	90.2	Very high	7 Å²	7	63 Å²	63	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-42	178.2	-179.4	59.8	0	0	0	110.7	C238 L503 S504 L509 R510 L511 C568 F574	C238-L507 HydrophobicContact CB-CD2 3.69Å; L503-L507 HydrophobicContact CD2-CD2 3.78Å; L503-L507 HydrophobicContact CD2-CG 4.34Å; S504-L507 PolarHBondContact O-N 3.48Å; S504-L507 WeakPolarHBondContact OG-CB 3.48Å; S504-L507 PolarHBondContact OG-N 3.14Å; S504-L507 VanDerWaalsContact OG-N 3.13Å; L507-L509 VanDerWaalsContact C-N 3.29Å; L507-L509 PolarHBondContact O-N 3.01Å; L507-R510 PolarHBondContact O-N 2.89Å; L507-L511 HydrophobicContact CD1-CD1 4.17Å; L507-L511 HydrophobicContact CD1-CD2 4.41Å; L507-L511 HydrophobicContact CD1-CG 4.08Å; L507-L511 HydrophobicContact CG-CD1 3.98Å; L507-L511 HydrophobicContact CG-CG 4.32Å; L507-L511 WeakPolarHBondContact O-CB 3.39Å; L507-L511 VanDerWaalsContact O-CG 3.25Å; L507-L511 WeakPolarHBondContact O-CG 3.35Å; L507-L511 PolarHBondContact O-N 3.46Å; L507-C568 VanDerWaalsContact CD1-SG 3.5Å; L507-F574 HydrophobicContact CD1-CE1 4.5Å; L507-F574 HydrophobicContact CD1-CZ 4.47Å; L507-F574 HydrophobicContact CD2-CE2 4.32Å
508	A	90.6	Very high	90.4	Very high	6 Å²	6	56 Å²	56	5%	0.05	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-36.3	176.2	0	0	0	0	0	112.5	L503 S504 V506 R512	L503-A508 HydrophobicContact CB-CB 4.04Å; S504-A508 WeakPolarHBondContact O-CB 3.38Å; S504-A508 PolarHBondContact O-N 3.34Å; V506-A508 VanDerWaalsContact C-N 3.31Å; V506-A508 PolarHBondContact O-N 3.39Å; A508-R512 WeakPolarHBondContact O-CB 3.28Å; A508-R512 WeakPolarHBondContact O-CG 3.36Å; A508-R512 PolarHBondContact O-N 2.59Å; A508-R512 VanDerWaalsContact O-N 3.14Å; A508-R512 PolarHBondContact O-NE 3.45Å
509	L	91.2	Very high	90.7	Very high	80 Å²	80	54.2 Å²	54.2	42%	0.419	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-51	172.9	-178.8	76.1	0	0	0	110.9	S505 V506 L507 L511 R512 Q513	S505-L509 WeakPolarHBondContact O-CB 3.43Å; S505-L509 PolarHBondContact O-N 3.48Å; V506-L509 WeakPolarHBondContact O-CB 3.41Å; V506-L509 PolarHBondContact O-N 2.84Å; V506-L509 VanDerWaalsContact O-N 3.13Å; L507-L509 VanDerWaalsContact C-N 3.29Å; L507-L509 PolarHBondContact O-N 3.01Å; L509-L511 PolarHBondContact O-N 3.41Å; L509-R512 WeakPolarHBondContact O-CB 3.38Å; L509-R512 PolarHBondContact O-N 2.87Å; L509-R512 VanDerWaalsContact O-N 3.13Å; L509-Q513 WeakPolarHBondContact O-CG 3.34Å; L509-Q513 PolarHBondContact O-N 2.77Å
510	R	91.1	Very high	90.9	Very high	28 Å²	28	56.2 Å²	56.2	11%	0.106	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-44.8	-179.6	-64.3	-58.7	174.6	-156.3	10.3	112.2	V506 L507 R512 Q513 I514 E564 C568	V506-R510 WeakPolarHBondContact O-CG 3.25Å; V506-R510 PolarHBondContact O-N 3.28Å; L507-R510 PolarHBondContact O-N 2.89Å; R510-R512 VanDerWaalsContact C-N 3.31Å; R510-R512 PolarHBondContact O-N 2.9Å; R510-Q513 WeakPolarHBondContact O-CB 3.41Å; R510-Q513 PolarHBondContact O-N 3.44Å; R510-Q513 VanDerWaalsContact O-N 3.11Å; R510-I514 WeakPolarHBondContact O-CG1 3.48Å; R510-I514 PolarHBondContact O-N 3.08Å; R510-E564 IonicContact CZ-OE1 2.84Å; R510-E564 IonicContact CZ-OE2 2.5Å; R510-E564 IonicContact NH1-OE1 2.91Å; R510-E564 IonicContact NH1-OE2 3.04Å; R510-E564 PolarHBondContact NH1-OE2 3.49Å; R510-E564 IonicContact NH2-OE1 3.36Å; R510-E564 PolarHBondContact NH2-OE1 3.35Å; R510-E564 IonicContact NH2-OE2 2.79Å; R510-E564 PolarHBondContact NH2-OE2 2.9Å; R510-E564 VanDerWaalsContact NH2-OE2 3.08Å; R510-C568 HydrophobicContact CB-CB 4.24Å; R510-C568 HydrophobicContact CG-CB 4.47Å
511	L	92.2	Very high	91.3	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-34.8	176.7	-63.7	175.9	0	0	0	112.8	F492 Y495 L496 L503 L507 L509 K515 F574	F492-L511 HydrophobicContact CD1-CD2 3.95Å; F492-L511 HydrophobicContact CE1-CD2 3.93Å; Y495-L511 HydrophobicContact CD1-CD1 3.79Å; Y495-L511 HydrophobicContact CE1-CD1 3.84Å; L496-L511 HydrophobicContact CD1-CB 4.17Å; L496-L511 HydrophobicContact CD2-CB 3.81Å; L496-L511 HydrophobicContact CD2-CD1 4.28Å; L496-L511 HydrophobicContact CG-CB 4Å; L503-L511 HydrophobicContact CD1-CD1 4.2Å; L507-L511 HydrophobicContact CD1-CD1 4.17Å; L507-L511 HydrophobicContact CD1-CD2 4.41Å; L507-L511 HydrophobicContact CD1-CG 4.08Å; L507-L511 HydrophobicContact CG-CD1 3.98Å; L507-L511 HydrophobicContact CG-CG 4.32Å; L507-L511 WeakPolarHBondContact O-CB 3.39Å; L507-L511 VanDerWaalsContact O-CG 3.25Å; L507-L511 WeakPolarHBondContact O-CG 3.35Å; L507-L511 PolarHBondContact O-N 3.46Å; L509-L511 PolarHBondContact O-N 3.41Å; L511-K515 VanDerWaalsContact O-CB 3.28Å; L511-K515 WeakPolarHBondContact O-CB 3.38Å; L511-K515 PolarHBondContact O-N 2.78Å; L511-F574 HydrophobicContact CD1-CE1 4.31Å; L511-F574 HydrophobicContact CD1-CZ 3.86Å; L511-F574 HydrophobicContact CD2-CD1 4.43Å; L511-F574 HydrophobicContact CD2-CE1 3.37Å; L511-F574 HydrophobicContact CD2-CZ 3.79Å; L511-F574 HydrophobicContact CG-CE1 4.38Å; L511-F574 HydrophobicContact CG-CZ 4.42Å
512	R	93.9	Very high	91.7	Very high	132 Å²	132	42.7 Å²	42.7	50%	0.498	21%	0.207	S	C	.	.	H	α-helix	trans	-67	-38.7	172.2	-73.8	175.8	-141.2	141.9	2.5	111.7	L496 A508 L509 R510 K515 H516	L496-R512 HydrophobicContact CD1-CG 3.98Å; L496-R512 HydrophobicContact CD2-CG 4.3Å; A508-R512 WeakPolarHBondContact O-CB 3.28Å; A508-R512 WeakPolarHBondContact O-CG 3.36Å; A508-R512 PolarHBondContact O-N 2.59Å; A508-R512 VanDerWaalsContact O-N 3.14Å; A508-R512 PolarHBondContact O-NE 3.45Å; L509-R512 WeakPolarHBondContact O-CB 3.38Å; L509-R512 PolarHBondContact O-N 2.87Å; L509-R512 VanDerWaalsContact O-N 3.13Å; R510-R512 VanDerWaalsContact C-N 3.31Å; R510-R512 PolarHBondContact O-N 2.9Å; R512-K515 PolarHBondContact O-N 3.37Å; R512-H516 WeakPolarHBondContact O-CB 3.34Å; R512-H516 PolarHBondContact O-N 3.28Å
513	Q	94	Very high	92.1	Very high	64 Å²	64	41 Å²	41	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-67.2	-43.9	175.9	-70.4	173.7	-36.5	0	0	111.8	L509 R510 K515 H516 F517 F565	L509-Q513 WeakPolarHBondContact O-CG 3.34Å; L509-Q513 PolarHBondContact O-N 2.77Å; R510-Q513 WeakPolarHBondContact O-CB 3.41Å; R510-Q513 PolarHBondContact O-N 3.44Å; R510-Q513 VanDerWaalsContact O-N 3.11Å; Q513-K515 VanDerWaalsContact C-N 3.35Å; Q513-K515 PolarHBondContact O-N 3.48Å; Q513-H516 WeakPolarHBondContact O-CB 3.49Å; Q513-H516 PolarHBondContact O-N 3.09Å; Q513-H516 VanDerWaalsContact O-N 3.16Å; Q513-F517 WeakPolarHBondContact O-CB 3.36Å; Q513-F517 PolarHBondContact O-N 2.78Å; Q513-F565 HydrophobicContact CB-CE1 3.63Å; Q513-F565 HydrophobicContact CB-CZ 3.79Å
514	I	95	Very high	92.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-45.5	174.1	-68.8	168.5	0	0	0	110.4	F492 R510 H516 F517 I518 F565 L569 F659	F492-I514 HydrophobicContact CD1-CG2 4.4Å; F492-I514 HydrophobicContact CD2-CG2 4.07Å; F492-I514 HydrophobicContact CE1-CG2 3.99Å; F492-I514 HydrophobicContact CE2-CG2 3.67Å; F492-I514 HydrophobicContact CG-CG2 4.45Å; F492-I514 HydrophobicContact CZ-CG2 3.63Å; R510-I514 WeakPolarHBondContact O-CG1 3.48Å; R510-I514 PolarHBondContact O-N 3.08Å; I514-H516 VanDerWaalsContact C-N 3.33Å; I514-H516 PolarHBondContact O-N 3.09Å; I514-F517 WeakPolarHBondContact O-CB 3.47Å; I514-F517 PolarHBondContact O-N 3.49Å; I514-I518 HydrophobicContact CG2-CD1 3.96Å; I514-I518 WeakPolarHBondContact O-CG1 3.37Å; I514-I518 PolarHBondContact O-N 3.32Å; I514-F565 HydrophobicContact CD1-CB 4.22Å; I514-F565 HydrophobicContact CD1-CD1 4.33Å; I514-F565 HydrophobicContact CD1-CG 4.29Å; I514-F565 HydrophobicContact CG1-CB 4.05Å; I514-F565 HydrophobicContact CG1-CD1 3.66Å; I514-F565 HydrophobicContact CG1-CD2 3.96Å; I514-F565 HydrophobicContact CG1-CE1 4.01Å; I514-F565 HydrophobicContact CG1-CE2 4.26Å; I514-F565 HydrophobicContact CG1-CG 3.63Å; I514-F565 HydrophobicContact CG1-CZ 4.28Å; I514-L569 HydrophobicContact CD1-CD2 4.43Å; I514-L569 HydrophobicContact CD1-CG 4.35Å; I514-F659 HydrophobicContact CG2-CE1 3.82Å; I514-F659 HydrophobicContact CG2-CZ 4.1Å
515	K	94.6	Very high	92.8	Very high	54 Å²	54	39.8 Å²	39.8	24%	0.235	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-46.3	173.5	173.9	176.2	169.4	166.1	0	111.2	E489 F492 S493 L496 L511 R512 Q513 F517 I518 Q519	E489-K515 HydrophobicContact CG-CG 4.48Å; F492-K515 HydrophobicContact CB-CB 4.39Å; S493-K515 VanDerWaalsContact OG-CE 3.3Å; S493-K515 WeakPolarHBondContact OG-CE 3.4Å; S493-K515 PolarHBondContact OG-NZ 3.42Å; L496-K515 HydrophobicContact CD1-CD 4.33Å; L511-K515 VanDerWaalsContact O-CB 3.28Å; L511-K515 WeakPolarHBondContact O-CB 3.38Å; L511-K515 PolarHBondContact O-N 2.78Å; R512-K515 PolarHBondContact O-N 3.37Å; Q513-K515 VanDerWaalsContact C-N 3.35Å; Q513-K515 PolarHBondContact O-N 3.48Å; K515-F517 VanDerWaalsContact C-N 3.35Å; K515-F517 PolarHBondContact O-N 3.16Å; K515-I518 PolarHBondContact O-N 3Å; K515-Q519 HydrophobicContact CG-CG 4.42Å; K515-Q519 WeakPolarHBondContact O-CB 3.3Å; K515-Q519 VanDerWaalsContact O-CG 3.27Å; K515-Q519 WeakPolarHBondContact O-CG 3.39Å; K515-Q519 PolarHBondContact O-N 2.82Å
516	H	94.5	Very high	93	Very high	85 Å²	85	37.1 Å²	37.1	39%	0.394	18%	0.178	S	C	.	.	H	α-helix	trans	-61.1	-43.6	177.8	-174.3	69	0	0	0	111.8	R512 Q513 I514 I518 Q519 Q520	R512-H516 WeakPolarHBondContact O-CB 3.34Å; R512-H516 PolarHBondContact O-N 3.28Å; Q513-H516 WeakPolarHBondContact O-CB 3.49Å; Q513-H516 PolarHBondContact O-N 3.09Å; Q513-H516 VanDerWaalsContact O-N 3.16Å; I514-H516 VanDerWaalsContact C-N 3.33Å; I514-H516 PolarHBondContact O-N 3.09Å; H516-I518 PolarHBondContact O-N 2.8Å; H516-Q519 WeakPolarHBondContact O-CB 3.28Å; H516-Q519 PolarHBondContact O-N 3.45Å; H516-Q520 PolarHBondContact CE1-NE2 2.91Å; H516-Q520 PolarHBondContact NE2-NE2 2.98Å; H516-Q520 VanDerWaalsContact NE2-NE2 3.15Å; H516-Q520 WeakPolarHBondContact O-CG 3.43Å; H516-Q520 PolarHBondContact O-N 2.93Å
517	F	95.4	Very high	93.2	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-48.6	175.3	179.4	-89.2	0	0	0	111.5	Q513 I514 K515 Q519 Q520 L521 F552 L557 I560 L562 F565 F659 L663 L666	Q513-F517 WeakPolarHBondContact O-CB 3.36Å; Q513-F517 PolarHBondContact O-N 2.78Å; I514-F517 WeakPolarHBondContact O-CB 3.47Å; I514-F517 PolarHBondContact O-N 3.49Å; K515-F517 VanDerWaalsContact C-N 3.35Å; K515-F517 PolarHBondContact O-N 3.16Å; F517-Q519 VanDerWaalsContact C-N 3.35Å; F517-Q519 PolarHBondContact O-N 3.26Å; F517-Q520 PolarHBondContact O-N 3.47Å; F517-L521 HydrophobicContact CD1-CD1 3.92Å; F517-L521 HydrophobicContact CD1-CG 4.46Å; F517-L521 HydrophobicContact CE1-CD1 3.38Å; F517-L521 HydrophobicContact CE1-CG 4.17Å; F517-L521 HydrophobicContact CZ-CD1 3.93Å; F517-L521 HydrophobicContact CZ-CG 4.48Å; F517-L521 WeakPolarHBondContact O-CG 3.44Å; F517-L521 PolarHBondContact O-N 3.27Å; F517-F552 HydrophobicContact CE2-CE1 4.24Å; F517-L557 HydrophobicContact CB-CD2 4.45Å; F517-L557 HydrophobicContact CD2-CD1 3.85Å; F517-L557 HydrophobicContact CD2-CD2 3.7Å; F517-L557 HydrophobicContact CD2-CG 4.29Å; F517-L557 HydrophobicContact CE2-CD1 3.67Å; F517-L557 HydrophobicContact CE2-CD2 4.31Å; F517-L557 HydrophobicContact CE2-CG 4.41Å; F517-L557 HydrophobicContact CG-CD2 4.31Å; F517-L557 HydrophobicContact CZ-CD1 4.25Å; F517-I560 HydrophobicContact CB-CD1 4.36Å; F517-I560 HydrophobicContact CD2-CD1 3.94Å; F517-I560 HydrophobicContact CD2-CG2 4.17Å; F517-L562 HydrophobicContact CD2-CD2 4.33Å; F517-L562 HydrophobicContact CE2-CD2 3.63Å; F517-L562 HydrophobicContact CZ-CD2 3.98Å; F517-F565 HydrophobicContact CB-CE2 3.8Å; F517-F565 HydrophobicContact CB-CZ 4.37Å; F517-F565 AromaticContact CD2-CE2 3.92Å; F517-F565 HydrophobicContact CD2-CE2 3.92Å; F517-F565 AromaticContact CG-CE2 3.88Å; F517-F565 HydrophobicContact CG-CE2 3.88Å; F517-F659 HydrophobicContact CD1-CE2 4.01Å; F517-F659 AromaticContact CD1-CZ 3.96Å; F517-F659 HydrophobicContact CD1-CZ 3.96Å; F517-F659 AromaticContact CE1-CE2 3.91Å; F517-F659 HydrophobicContact CE1-CE2 3.91Å; F517-F659 HydrophobicContact CE1-CZ 4.18Å; F517-L663 HydrophobicContact CE1-CD2 3.9Å; F517-L663 HydrophobicContact CZ-CD2 4.08Å; F517-L666 HydrophobicContact CZ-CD1 4.42Å
518	I	95.7	Very high	93.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-42.7	176.5	-66.5	163	0	0	0	111	L485 L488 E489 F492 I514 K515 H516 Q520 L521 K522 F659	L485-I518 HydrophobicContact CB-CG2 4.23Å; L485-I518 HydrophobicContact CD2-CG2 4.36Å; L485-I518 WeakPolarHBondContact O-CG2 3.31Å; L488-I518 HydrophobicContact CB-CD1 3.92Å; E489-I518 HydrophobicContact CB-CG2 4.06Å; F492-I518 HydrophobicContact CD2-CD1 3.49Å; F492-I518 VanDerWaalsContact CD2-CD1 3.49Å; F492-I518 HydrophobicContact CE2-CD1 3.54Å; I514-I518 HydrophobicContact CG2-CD1 3.96Å; I514-I518 WeakPolarHBondContact O-CG1 3.37Å; I514-I518 PolarHBondContact O-N 3.32Å; K515-I518 PolarHBondContact O-N 3Å; H516-I518 PolarHBondContact O-N 2.8Å; I518-Q520 PolarHBondContact O-N 2.82Å; I518-L521 PolarHBondContact O-N 3.47Å; I518-K522 HydrophobicContact CG2-CD 4.39Å; I518-K522 WeakPolarHBondContact O-CG 3.16Å; I518-K522 PolarHBondContact O-N 2.86Å; I518-F659 HydrophobicContact CD1-CE1 4.28Å; I518-F659 HydrophobicContact CD1-CE2 4.34Å; I518-F659 HydrophobicContact CD1-CZ 4Å; I518-F659 HydrophobicContact CG1-CE2 3.86Å; I518-F659 HydrophobicContact CG1-CZ 3.81Å
519	Q	95.1	Very high	93.1	Very high	61 Å²	61	38.8 Å²	38.8	29%	0.285	19%	0.188	S	C	.	.	H	α-helix	trans	-61	-44.6	178	-75.9	177.1	-25.4	0	0	112.1	E489 K515 H516 F517 K522 V523	E489-Q519 HydrophobicContact CG-CG 4.27Å; E489-Q519 VanDerWaalsContact OE1-CG 3.23Å; E489-Q519 WeakPolarHBondContact OE1-CG 3.32Å; E489-Q519 PolarHBondContact OE1-NE2 3.38Å; K515-Q519 HydrophobicContact CG-CG 4.42Å; K515-Q519 WeakPolarHBondContact O-CB 3.3Å; K515-Q519 VanDerWaalsContact O-CG 3.27Å; K515-Q519 WeakPolarHBondContact O-CG 3.39Å; K515-Q519 PolarHBondContact O-N 2.82Å; H516-Q519 WeakPolarHBondContact O-CB 3.28Å; H516-Q519 PolarHBondContact O-N 3.45Å; F517-Q519 VanDerWaalsContact C-N 3.35Å; F517-Q519 PolarHBondContact O-N 3.26Å; Q519-K522 WeakPolarHBondContact O-CB 3.48Å; Q519-K522 PolarHBondContact O-N 2.97Å; Q519-V523 WeakPolarHBondContact O-CG2 3.3Å; Q519-V523 PolarHBondContact O-N 2.84Å
520	Q	94.8	Very high	92.8	Very high	44 Å²	44	41.5 Å²	41.5	21%	0.206	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-42.5	177.5	-68.6	-61.5	-0.8	0	0	111.9	H516 F517 I518 K522 V523 Y524 L557	H516-Q520 PolarHBondContact CE1-NE2 2.91Å; H516-Q520 PolarHBondContact NE2-NE2 2.98Å; H516-Q520 VanDerWaalsContact NE2-NE2 3.15Å; H516-Q520 WeakPolarHBondContact O-CG 3.43Å; H516-Q520 PolarHBondContact O-N 2.93Å; F517-Q520 PolarHBondContact O-N 3.47Å; I518-Q520 PolarHBondContact O-N 2.82Å; Q520-K522 VanDerWaalsContact C-N 3.28Å; Q520-K522 PolarHBondContact O-N 3.24Å; Q520-V523 PolarHBondContact O-N 3.3Å; Q520-Y524 VanDerWaalsContact O-CB 3.26Å; Q520-Y524 WeakPolarHBondContact O-CB 3.24Å; Q520-Y524 PolarHBondContact O-N 2.96Å; Q520-L557 HydrophobicContact CB-CD2 3.66Å; Q520-L557 HydrophobicContact CB-CG 4.19Å; Q520-L557 HydrophobicContact CG-CD2 3.96Å
521	L	94.6	Very high	92.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-42.2	173.2	-74	-178	0	0	0	111.5	L485 F517 I518 Y524 L525 L551 L557 F662 L711	L485-L521 HydrophobicContact CD1-CB 4.14Å; F517-L521 HydrophobicContact CD1-CD1 3.92Å; F517-L521 HydrophobicContact CD1-CG 4.46Å; F517-L521 HydrophobicContact CE1-CD1 3.38Å; F517-L521 HydrophobicContact CE1-CG 4.17Å; F517-L521 HydrophobicContact CZ-CD1 3.93Å; F517-L521 HydrophobicContact CZ-CG 4.48Å; F517-L521 WeakPolarHBondContact O-CG 3.44Å; F517-L521 PolarHBondContact O-N 3.27Å; I518-L521 PolarHBondContact O-N 3.47Å; L521-Y524 PolarHBondContact O-N 3.48Å; L521-L525 WeakPolarHBondContact O-CB 3.04Å; L521-L525 VanDerWaalsContact O-CG 3.28Å; L521-L525 WeakPolarHBondContact O-CG 3.12Å; L521-L525 PolarHBondContact O-N 3.3Å; L521-L551 HydrophobicContact CD2-CD2 4.45Å; L521-L557 HydrophobicContact CD2-CD1 3.66Å; L521-L557 HydrophobicContact CG-CD1 3.93Å; L521-F662 HydrophobicContact CD1-CE1 4.31Å; L521-L711 HydrophobicContact CD1-CD2 4.44Å; L521-L711 HydrophobicContact CD2-CD2 4.19Å
522	K	94.6	Very high	91.9	Very high	21 Å²	21	46.5 Å²	46.5	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-46.6	174.6	-74.9	177.7	47.7	175.2	0	112.6	L481 L485 Y486 E489 I518 Q519 Q520 Y524 L525 N526	L481-K522 HydrophobicContact CD1-CB 4.14Å; L481-K522 HydrophobicContact CD1-CG 3.84Å; L485-K522 HydrophobicContact CB-CD 4.32Å; L485-K522 HydrophobicContact CB-CG 3.79Å; L485-K522 HydrophobicContact CD1-CG 4.21Å; Y486-K522 HydrophobicContact CD2-CD 4.29Å; Y486-K522 HydrophobicContact CE2-CD 4.39Å; Y486-K522 HydrophobicContact CG-CD 4.38Å; Y486-K522 VanDerWaalsContact CZ-CE 3.43Å; E489-K522 WeakPolarHBondContact OE2-CD 3.42Å; E489-K522 WeakPolarHBondContact OE2-CE 3.46Å; E489-K522 IonicContact OE2-NZ 2.97Å; E489-K522 PolarHBondContact OE2-NZ 3.49Å; I518-K522 HydrophobicContact CG2-CD 4.39Å; I518-K522 WeakPolarHBondContact O-CG 3.16Å; I518-K522 PolarHBondContact O-N 2.86Å; Q519-K522 WeakPolarHBondContact O-CB 3.48Å; Q519-K522 PolarHBondContact O-N 2.97Å; Q520-K522 VanDerWaalsContact C-N 3.28Å; Q520-K522 PolarHBondContact O-N 3.24Å; K522-Y524 VanDerWaalsContact C-N 3.29Å; K522-Y524 PolarHBondContact O-N 2.92Å; K522-L525 PolarHBondContact O-N 2.93Å; K522-N526 VanDerWaalsContact O-CB 3.28Å; K522-N526 WeakPolarHBondContact O-CB 3.37Å; K522-N526 PolarHBondContact O-N 3.36Å; K522-N526 PolarHBondContact O-ND2 2.76Å
523	V	94.3	Very high	91.1	Very high	82 Å²	82	43.9 Å²	43.9	50%	0.497	21%	0.214	S	C	.	.	H	α-helix	trans	-60.2	-45.1	178.8	169.2	0	0	0	0	109.9	Q519 Q520 N526 T527	Q519-V523 WeakPolarHBondContact O-CG2 3.3Å; Q519-V523 PolarHBondContact O-N 2.84Å; Q520-V523 PolarHBondContact O-N 3.3Å; V523-N526 PolarHBondContact O-N 3.13Å; V523-T527 WeakPolarHBondContact O-CB 3.42Å; V523-T527 PolarHBondContact O-N 3.3Å; V523-T527 PolarHBondContact O-OG1 3.39Å
524	Y	93.6	Very high	90.2	Very high	17 Å²	17	47.7 Å²	47.7	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-48.3	177	175.7	-98.4	0	0	0	112.1	Q520 L521 K522 T527 T528 K546 L551 E554 I677	Q520-Y524 VanDerWaalsContact O-CB 3.26Å; Q520-Y524 WeakPolarHBondContact O-CB 3.24Å; Q520-Y524 PolarHBondContact O-N 2.96Å; L521-Y524 PolarHBondContact O-N 3.48Å; K522-Y524 VanDerWaalsContact C-N 3.29Å; K522-Y524 PolarHBondContact O-N 2.92Å; Y524-T527 PolarHBondContact O-N 3Å; Y524-T528 WeakPolarHBondContact O-CB 3.5Å; Y524-T528 PolarHBondContact O-N 2.86Å; Y524-T528 PolarHBondContact O-OG1 3.06Å; Y524-K546 VanDerWaalsContact OH-CD 3.22Å; Y524-K546 WeakPolarHBondContact OH-CD 3.29Å; Y524-K546 WeakPolarHBondContact OH-CE 3.42Å; Y524-K546 PolarHBondContact OH-NZ 3.08Å; Y524-K546 VanDerWaalsContact OH-NZ 3.07Å; Y524-L551 HydrophobicContact CD1-CD1 3.87Å; Y524-L551 HydrophobicContact CE1-CD1 3.4Å; Y524-L551 VanDerWaalsContact CE1-CD1 3.4Å; Y524-E554 HydrophobicContact CD2-CB 4.35Å; Y524-E554 HydrophobicContact CE2-CB 3.74Å; Y524-E554 WeakPolarHBondContact CE2-OE2 3.39Å; Y524-E554 PolarHBondContact OH-OE2 3.28Å; Y524-I677 HydrophobicContact CE1-CD1 3.61Å
525	L	92.6	Very high	89	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-40.6	177.8	-72	174.8	0	0	0	112.3	L481 L485 L521 K522 T527 T528 L529 I677 L709 L711	L481-L525 HydrophobicContact CB-CD1 4.19Å; L481-L525 HydrophobicContact CD1-CB 4.08Å; L481-L525 HydrophobicContact CD1-CD1 4.12Å; L481-L525 HydrophobicContact CD2-CB 4.18Å; L485-L525 HydrophobicContact CD1-CD1 3.56Å; L521-L525 WeakPolarHBondContact O-CB 3.04Å; L521-L525 VanDerWaalsContact O-CG 3.28Å; L521-L525 WeakPolarHBondContact O-CG 3.12Å; L521-L525 PolarHBondContact O-N 3.3Å; K522-L525 PolarHBondContact O-N 2.93Å; L525-T527 VanDerWaalsContact C-N 3.35Å; L525-T527 PolarHBondContact O-N 3.44Å; L525-T528 CarbonylContact O-C 3.52Å; L525-T528 WeakPolarHBondContact O-CB 3.45Å; L525-T528 PolarHBondContact O-N 3.28Å; L525-L529 WeakPolarHBondContact O-CB 3.14Å; L525-L529 PolarHBondContact O-N 3.28Å; L525-I677 HydrophobicContact CD2-CD1 4.41Å; L525-I677 HydrophobicContact CD2-CG1 4.3Å; L525-I677 HydrophobicContact CD2-CG2 3.84Å; L525-L709 HydrophobicContact CB-CD1 4.47Å; L525-L709 HydrophobicContact CD2-CD1 4.48Å; L525-L709 VanDerWaalsContact O-CD1 3.25Å; L525-L709 WeakPolarHBondContact O-CD1 3.22Å; L525-L711 HydrophobicContact CD1-CB 4.35Å; L525-L711 HydrophobicContact CD2-CD1 4.41Å
526	N	91.8	Very high	87.2	Confident	46 Å²	46	51.7 Å²	51.7	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-38.8	175.4	-81.1	-49.3	0	0	0	112.3	Y486 K522 V523 T528 L529 K530	Y486-N526 PolarHBondContact OH-ND2 3.37Å; K522-N526 VanDerWaalsContact O-CB 3.28Å; K522-N526 WeakPolarHBondContact O-CB 3.37Å; K522-N526 PolarHBondContact O-N 3.36Å; K522-N526 PolarHBondContact O-ND2 2.76Å; V523-N526 PolarHBondContact O-N 3.13Å; N526-T528 VanDerWaalsContact C-N 3.34Å; N526-L529 PolarHBondContact O-N 3.46Å; N526-K530 WeakPolarHBondContact O-CG 3.34Å; N526-K530 PolarHBondContact O-N 2.89Å
527	T	90.4	Very high	85.2	Confident	65 Å²	65	53.4 Å²	53.4	40%	0.399	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-43.3	174.9	-55.6	0	0	0	0	110.2	V523 Y524 L525 L529 K530 H531	V523-T527 WeakPolarHBondContact O-CB 3.42Å; V523-T527 PolarHBondContact O-N 3.3Å; V523-T527 PolarHBondContact O-OG1 3.39Å; Y524-T527 PolarHBondContact O-N 3Å; L525-T527 VanDerWaalsContact C-N 3.35Å; L525-T527 PolarHBondContact O-N 3.44Å; T527-L529 PolarHBondContact O-N 3.27Å; T527-K530 PolarHBondContact O-N 3.33Å; T527-H531 PolarHBondContact O-CD2 3.11Å; T527-H531 PolarHBondContact O-N 2.97Å
528	T	88.2	Confident	82.8	Confident	12 Å²	12	57.1 Å²	57.1	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-42.4	175.2	-56.3	0	0	0	0	111.6	Y524 L525 N526 K530 H531 I532 I544 I677	Y524-T528 WeakPolarHBondContact O-CB 3.5Å; Y524-T528 PolarHBondContact O-N 2.86Å; Y524-T528 PolarHBondContact O-OG1 3.06Å; L525-T528 CarbonylContact O-C 3.52Å; L525-T528 WeakPolarHBondContact O-CB 3.45Å; L525-T528 PolarHBondContact O-N 3.28Å; N526-T528 VanDerWaalsContact C-N 3.34Å; T528-K530 PolarHBondContact O-N 3.41Å; T528-H531 PolarHBondContact O-N 3.38Å; T528-I532 HydrophobicContact CG2-CD1 3.95Å; T528-I532 HydrophobicContact CG2-CG1 4.43Å; T528-I532 WeakPolarHBondContact O-CB 3.31Å; T528-I532 VanDerWaalsContact O-CG1 3.28Å; T528-I532 WeakPolarHBondContact O-CG1 3.39Å; T528-I532 PolarHBondContact O-N 2.89Å; T528-I544 HydrophobicContact CG2-CD1 3.43Å; T528-I544 VanDerWaalsContact CG2-CD1 3.43Å; T528-I677 HydrophobicContact CG2-CG2 4.22Å
529	L	86.8	Confident	80.1	Confident	21 Å²	21	65.1 Å²	65.1	11%	0.11	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-46.3	175.7	-177.4	58.4	0	0	0	111.3	L525 N526 T527 H531 I532 Q533 Q707 L709	L525-L529 WeakPolarHBondContact O-CB 3.14Å; L525-L529 PolarHBondContact O-N 3.28Å; N526-L529 PolarHBondContact O-N 3.46Å; T527-L529 PolarHBondContact O-N 3.27Å; L529-H531 VanDerWaalsContact C-N 3.34Å; L529-H531 PolarHBondContact O-N 2.92Å; L529-I532 WeakPolarHBondContact O-CB 3.3Å; L529-I532 PolarHBondContact O-N 3.25Å; L529-Q533 HydrophobicContact CD1-CG 4.35Å; L529-Q533 WeakPolarHBondContact O-CB 3.33Å; L529-Q533 VanDerWaalsContact O-CG 3.29Å; L529-Q533 WeakPolarHBondContact O-CG 3.46Å; L529-Q533 PolarHBondContact O-N 3.46Å; L529-Q707 HydrophobicContact CD1-CB 4.35Å; L529-L709 HydrophobicContact CB-CD1 3.59Å; L529-L709 HydrophobicContact CB-CG 4.32Å; L529-L709 HydrophobicContact CD1-CD1 4.19Å; L529-L709 HydrophobicContact CD1-CD2 4.47Å; L529-L709 HydrophobicContact CD1-CG 4.03Å; L529-L709 HydrophobicContact CG-CD1 4.39Å
530	K	85.6	Confident	77.9	Confident	136 Å²	136	67 Å²	67	59%	0.591	37%	0.369	S	S	*	.	H	α-helix	trans	-60.5	-43	176.2	-71.3	173.5	-178	-178.1	0	111.9	N526 T527 T528 Q533 L534	N526-K530 WeakPolarHBondContact O-CG 3.34Å; N526-K530 PolarHBondContact O-N 2.89Å; T527-K530 PolarHBondContact O-N 3.33Å; T528-K530 PolarHBondContact O-N 3.41Å; K530-Q533 PolarHBondContact O-N 2.91Å; K530-L534 VanDerWaalsContact O-CG 3.27Å; K530-L534 WeakPolarHBondContact O-CG 3.33Å; K530-L534 PolarHBondContact O-N 2.62Å
531	H	83	Confident	76.1	Confident	127 Å²	127	69.9 Å²	69.9	59%	0.588	39%	0.386	S	S	*	.	H	α-helix	trans	-63	-43.8	175.4	-80.1	-66.9	0	0	0	112.4	T527 T528 L529 Q533 L534 S535	T527-H531 PolarHBondContact O-CD2 3.11Å; T527-H531 PolarHBondContact O-N 2.97Å; T528-H531 PolarHBondContact O-N 3.38Å; L529-H531 VanDerWaalsContact C-N 3.34Å; L529-H531 PolarHBondContact O-N 2.92Å; H531-Q533 VanDerWaalsContact C-N 3.33Å; H531-Q533 PolarHBondContact O-N 2.79Å; H531-L534 PolarHBondContact O-N 2.83Å; H531-S535 PolarHBondContact O-N 3.21Å; H531-S535 VanDerWaalsContact O-N 3.09Å; H531-S535 PolarHBondContact O-OG 3.42Å
532	I	81	Confident	75	Confident	8 Å²	8	72.3 Å²	72.3	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-58.4	-49	175.4	-72.8	170.9	0	0	0	109.3	T528 L529 L534 S535 I536 N542 I544 L709	T528-I532 HydrophobicContact CG2-CD1 3.95Å; T528-I532 HydrophobicContact CG2-CG1 4.43Å; T528-I532 WeakPolarHBondContact O-CB 3.31Å; T528-I532 VanDerWaalsContact O-CG1 3.28Å; T528-I532 WeakPolarHBondContact O-CG1 3.39Å; T528-I532 PolarHBondContact O-N 2.89Å; L529-I532 WeakPolarHBondContact O-CB 3.3Å; L529-I532 PolarHBondContact O-N 3.25Å; I532-L534 PolarHBondContact O-N 2.76Å; I532-S535 PolarHBondContact O-N 2.97Å; I532-S535 PolarHBondContact O-OG 3.43Å; I532-I536 WeakPolarHBondContact O-CG1 3.41Å; I532-I536 PolarHBondContact O-N 3.44Å; I532-N542 HydrophobicContact CG1-CB 4.41Å; I532-N542 HydrophobicContact CG2-CB 3.73Å; I532-N542 VanDerWaalsContact CG2-ND2 3.31Å; I532-N542 WeakPolarHBondContact CG2-ND2 3.49Å; I532-I544 HydrophobicContact CD1-CD1 3.9Å; I532-I544 HydrophobicContact CG1-CD1 4.04Å; I532-L709 HydrophobicContact CD1-CD2 4.06Å
533	Q	77.7	Confident	74.6	Confident	77 Å²	77	72.8 Å²	72.8	36%	0.36	40%	0.404	S	S	.	.	H	α-helix	trans	-59.6	-41.9	179.3	-75	173.6	-26.1	0	0	113.1	L529 K530 H531 S535 I536	L529-Q533 HydrophobicContact CD1-CG 4.35Å; L529-Q533 WeakPolarHBondContact O-CB 3.33Å; L529-Q533 VanDerWaalsContact O-CG 3.29Å; L529-Q533 WeakPolarHBondContact O-CG 3.46Å; L529-Q533 PolarHBondContact O-N 3.46Å; K530-Q533 PolarHBondContact O-N 2.91Å; H531-Q533 VanDerWaalsContact C-N 3.33Å; H531-Q533 PolarHBondContact O-N 2.79Å; Q533-S535 VanDerWaalsContact C-N 3.26Å; Q533-S535 PolarHBondContact O-N 2.83Å; Q533-I536 HydrophobicContact CB-CD1 4.36Å; Q533-I536 HydrophobicContact CG-CD1 4.31Å; Q533-I536 WeakPolarHBondContact O-CB 3.36Å; Q533-I536 WeakPolarHBondContact O-CG1 3.48Å; Q533-I536 PolarHBondContact O-N 3.31Å
534	L	75.7	Confident	74.4	Confident	143 Å²	143	71.3 Å²	71.3	75%	0.749	39%	0.393	S	S	*	.	H	α-helix	trans	-66.4	-27.8	176	-70.9	168.3	0	0	0	112.8	K530 H531 I532	K530-L534 VanDerWaalsContact O-CG 3.27Å; K530-L534 WeakPolarHBondContact O-CG 3.33Å; K530-L534 PolarHBondContact O-N 2.62Å; H531-L534 PolarHBondContact O-N 2.83Å; I532-L534 PolarHBondContact O-N 2.76Å
535	S	69.5	Low	74.3	Confident	48 Å²	48	72.4 Å²	72.4	34%	0.336	40%	0.399	S	S	.	.	H	α-helix	trans	-85.5	-6.1	179.8	70	0	0	0	0	114.9	H531 I532 Q533 S537 S538	H531-S535 PolarHBondContact O-N 3.21Å; H531-S535 VanDerWaalsContact O-N 3.09Å; H531-S535 PolarHBondContact O-OG 3.42Å; I532-S535 PolarHBondContact O-N 2.97Å; I532-S535 PolarHBondContact O-OG 3.43Å; Q533-S535 VanDerWaalsContact C-N 3.26Å; Q533-S535 PolarHBondContact O-N 2.83Å; S535-S537 PolarHBondContact O-N 2.88Å; S535-S538 PolarHBondContact O-N 3.44Å; S535-S538 VanDerWaalsContact O-N 3.13Å
536	I	56	Low	74.3	Confident	91 Å²	91	73.7 Å²	73.7	47%	0.467	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-15	-172.3	-71.1	177.9	0	0	0	113.9	I532 Q533 S538	I532-I536 WeakPolarHBondContact O-CG1 3.41Å; I532-I536 PolarHBondContact O-N 3.44Å; Q533-I536 HydrophobicContact CB-CD1 4.36Å; Q533-I536 HydrophobicContact CG-CD1 4.31Å; Q533-I536 WeakPolarHBondContact O-CB 3.36Å; Q533-I536 WeakPolarHBondContact O-CG1 3.48Å; Q533-I536 PolarHBondContact O-N 3.31Å; I536-S538 PolarHBondContact O-N 2.92Å
537	S	51.9	Low	74.3	Confident	121 Å²	121	74.2 Å²	74.2	85%	0.846	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-9.7	172.4	49.9	0	0	0	0	114.7	S535	S535-S537 PolarHBondContact O-N 2.88Å
538	S	45.8	Very low	74.4	Confident	79 Å²	79	71.4 Å²	71.4	55%	0.552	39%	0.392	S	S	*	.	S	Bend	trans	-135.6	108.6	175.6	58.9	0	0	0	0	114.2	S535 I536	S535-S538 PolarHBondContact O-N 3.44Å; S535-S538 VanDerWaalsContact O-N 3.13Å; I536-S538 PolarHBondContact O-N 2.92Å
539	M	39.8	Very low	74.5	Confident	168 Å²	168	76.8 Å²	76.8	83%	0.828	42%	0.421	S	S	*	.			trans	43.4	120.5	146.6	-67	-70	130.3	0	0	121.8
540	S	48.7	Very low	74.8	Confident	101 Å²	101	80.7 Å²	80.7	71%	0.706	44%	0.437	S	S	*	.	S	Bend	trans	44.5	120.2	145.1	63.1	0	0	0	0	121.1
541	D	56.2	Low	75.1	Confident	104 Å²	104	74.3 Å²	74.3	56%	0.556	41%	0.409	S	S	*	.			trans	58	74.1	169.6	-67.8	-16.9	0	0	0	115.4	V543	D541-V543 HydrophobicContact CB-CG2 4.37Å; D541-V543 PolarHBondContact O-N 3.37Å
542	N	72.6	Confident	75.5	Confident	51 Å²	51	69.5 Å²	69.5	27%	0.273	39%	0.387	S	S	.	.			trans	-68.2	61.6	170.6	-67.7	-25.4	0	0	0	112	I532 P679	I532-N542 HydrophobicContact CG1-CB 4.41Å; I532-N542 HydrophobicContact CG2-CB 3.73Å; I532-N542 VanDerWaalsContact CG2-ND2 3.31Å; I532-N542 WeakPolarHBondContact CG2-ND2 3.49Å; N542-P679 WeakPolarHBondContact O-CD 3.34Å
543	V	85.6	Confident	76	Confident	32 Å²	32	71.7 Å²	71.7	19%	0.194	40%	0.403	C	S	.	.			trans	-101.3	114.8	177.2	179.3	0	0	0	0	108	D541 I545 I676 I677 E678 P925	D541-V543 HydrophobicContact CB-CG2 4.37Å; D541-V543 PolarHBondContact O-N 3.37Å; V543-I545 HydrophobicContact CG1-CG1 4.38Å; V543-I676 HydrophobicContact CG1-CG2 3.5Å; V543-I677 WeakPolarHBondContact CA-O 3.29Å; V543-E678 HydrophobicContact CG1-CB 4.39Å; V543-E678 HydrophobicContact CG2-CB 3.97Å; V543-P925 HydrophobicContact CB-CG 3.67Å; V543-P925 HydrophobicContact CG1-CG 3.72Å; V543-P925 HydrophobicContact CG2-CG 4.36Å
544	I	89.7	Confident	76.7	Confident	51 Å²	51	71.9 Å²	71.9	26%	0.262	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.4	179.6	-60.4	169.4	0	0	0	108.2	T528 I532 K546 I676 I677	T528-I544 HydrophobicContact CG2-CD1 3.43Å; T528-I544 VanDerWaalsContact CG2-CD1 3.43Å; I532-I544 HydrophobicContact CD1-CD1 3.9Å; I532-I544 HydrophobicContact CG1-CD1 4.04Å; I544-K546 HydrophobicContact CG2-CD 4.36Å; I544-K546 VanDerWaalsContact CG2-CE 3.4Å; I544-K546 HydrophobicContact CG2-CG 4.06Å; I544-I676 WeakPolarHBondContact O-CA 3.23Å; I544-I677 HydrophobicContact CB-CB 4.31Å; I544-I677 PolarHBondContact N-O 3.01Å; I544-I677 PolarHBondContact O-N 3.27Å
545	I	91.8	Very high	77.3	Confident	40 Å²	40	65.2 Å²	65.2	21%	0.205	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131	176.4	-55.5	-167.8	0	0	0	109.3	V543 R674 I675 I676 P925 I926 E929	V543-I545 HydrophobicContact CG1-CG1 4.38Å; I545-R674 HydrophobicContact CG2-CB 4.05Å; I545-R674 HydrophobicContact CG2-CG 4.15Å; I545-I675 CarbonylContact C-O 3.53Å; I545-I675 WeakPolarHBondContact CA-O 3.23Å; I545-I676 HydrophobicContact CD1-CG1 4.42Å; I545-I676 HydrophobicContact CG1-CG1 4.18Å; I545-P925 HydrophobicContact CD1-CB 3.68Å; I545-P925 HydrophobicContact CD1-CG 4.37Å; I545-P925 WeakPolarHBondContact CD1-O 3.4Å; I545-P925 HydrophobicContact CG1-CB 4.24Å; I545-I926 HydrophobicContact CD1-CG1 4.14Å; I545-E929 HydrophobicContact CD1-CB 4.28Å; I545-E929 HydrophobicContact CG2-CG 4.29Å
546	K	92	Very high	78.3	Confident	26 Å²	26	68.6 Å²	68.6	11%	0.113	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.1	176.9	-59.1	-164.2	-177.7	-152.5	0	111.1	Y524 I544 K550 E554 R674 I675	Y524-K546 VanDerWaalsContact OH-CD 3.22Å; Y524-K546 WeakPolarHBondContact OH-CD 3.29Å; Y524-K546 WeakPolarHBondContact OH-CE 3.42Å; Y524-K546 PolarHBondContact OH-NZ 3.08Å; Y524-K546 VanDerWaalsContact OH-NZ 3.07Å; I544-K546 HydrophobicContact CG2-CD 4.36Å; I544-K546 VanDerWaalsContact CG2-CE 3.4Å; I544-K546 HydrophobicContact CG2-CG 4.06Å; K546-K550 HydrophobicContact CB-CB 4.37Å; K546-K550 HydrophobicContact CD-CD 4.35Å; K546-K550 HydrophobicContact CD-CG 4.23Å; K546-K550 HydrophobicContact CG-CD 4.43Å; K546-E554 IonicContact NZ-OE1 2.72Å; K546-E554 PolarHBondContact NZ-OE1 3.26Å; K546-E554 IonicContact NZ-OE2 3.73Å; K546-E554 PolarHBondContact NZ-OE2 2.88Å; K546-R674 WeakPolarHBondContact O-CA 3.37Å; K546-I675 PolarHBondContact N-O 2.87Å; K546-I675 PolarHBondContact O-N 2.91Å
547	T	93.2	Very high	79.9	Confident	58 Å²	58	64.3 Å²	64.3	36%	0.356	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	158.6	162.7	59.1	0	0	0	0	109.2	N549 K550 L551	T547-N549 PolarHBondContact O-N 2.94Å; T547-K550 PolarHBondContact O-N 3.43Å; T547-K550 VanDerWaalsContact OG1-CB 3.23Å; T547-K550 WeakPolarHBondContact OG1-CB 3.24Å; T547-K550 PolarHBondContact OG1-N 3.22Å; T547-L551 PolarHBondContact O-N 3.1Å; T547-L551 VanDerWaalsContact O-N 3.08Å
548	V	91.2	Very high	81.6	Confident	6 Å²	6	63 Å²	63	4%	0.036	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-45.9	178.8	178.2	0	0	0	0	110.9	K550 L551 F552 L666 C669 A673 I675	V548-K550 PolarHBondContact O-N 2.92Å; V548-L551 WeakPolarHBondContact O-CB 3.41Å; V548-L551 PolarHBondContact O-N 2.92Å; V548-F552 HydrophobicContact CG1-CD2 3.6Å; V548-F552 HydrophobicContact CG1-CE2 3.32Å; V548-F552 VanDerWaalsContact O-CD2 3.26Å; V548-F552 WeakPolarHBondContact O-CD2 3.18Å; V548-F552 PolarHBondContact O-N 2.82Å; V548-L666 HydrophobicContact CG1-CD2 3.93Å; V548-L666 HydrophobicContact CG2-CD2 4.32Å; V548-C669 VanDerWaalsContact CG1-SG 3.57Å; V548-C669 HydrophobicContact CG2-CB 4.17Å; V548-A673 HydrophobicContact CG2-CB 3.97Å; V548-I675 HydrophobicContact CG2-CD1 4.02Å; V548-I675 HydrophobicContact CG2-CG1 3.97Å
549	N	91.6	Very high	83.5	Confident	125 Å²	125	67.2 Å²	67.2	67%	0.668	36%	0.361	S	S	*	.	H	α-helix	trans	-58.7	-34.3	175.8	-61.6	-10.5	0	0	0	113.2	T547 F552 S553	T547-N549 PolarHBondContact O-N 2.94Å; N549-F552 PolarHBondContact O-N 3.11Å; N549-S553 PolarHBondContact O-N 2.93Å; N549-S553 PolarHBondContact O-OG 3.14Å
550	K	91.6	Very high	85.8	Confident	102 Å²	102	61.1 Å²	61.1	44%	0.443	33%	0.332	S	S	.	.	H	α-helix	trans	-71.9	-34.7	176.4	-172.5	171.9	-179.2	171.2	0	111.9	K546 T547 V548 S553 E554	K546-K550 HydrophobicContact CB-CB 4.37Å; K546-K550 HydrophobicContact CD-CD 4.35Å; K546-K550 HydrophobicContact CD-CG 4.23Å; K546-K550 HydrophobicContact CG-CD 4.43Å; T547-K550 PolarHBondContact O-N 3.43Å; T547-K550 VanDerWaalsContact OG1-CB 3.23Å; T547-K550 WeakPolarHBondContact OG1-CB 3.24Å; T547-K550 PolarHBondContact OG1-N 3.22Å; V548-K550 PolarHBondContact O-N 2.92Å; K550-S553 WeakPolarHBondContact CA-OG 3.5Å; K550-S553 PolarHBondContact O-OG 3.21Å; K550-E554 WeakPolarHBondContact CE-OE1 3.49Å; K550-E554 HydrophobicContact CG-CG 4.4Å; K550-E554 WeakPolarHBondContact CG-OE1 3.09Å; K550-E554 WeakPolarHBondContact O-CB 3.47Å; K550-E554 WeakPolarHBondContact O-CG 3.23Å; K550-E554 PolarHBondContact O-N 2.93Å; K550-E554 VanDerWaalsContact O-N 3.15Å
551	L	92.1	Very high	87.7	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-50.2	170.9	178.4	73.6	0	0	0	110.3	L521 Y524 T547 V548 S553 E554 S555 I675 L711	L521-L551 HydrophobicContact CD2-CD2 4.45Å; Y524-L551 HydrophobicContact CD1-CD1 3.87Å; Y524-L551 HydrophobicContact CE1-CD1 3.4Å; Y524-L551 VanDerWaalsContact CE1-CD1 3.4Å; T547-L551 PolarHBondContact O-N 3.1Å; T547-L551 VanDerWaalsContact O-N 3.08Å; V548-L551 WeakPolarHBondContact O-CB 3.41Å; V548-L551 PolarHBondContact O-N 2.92Å; L551-S553 VanDerWaalsContact C-N 3.34Å; L551-S553 PolarHBondContact O-N 2.75Å; L551-E554 PolarHBondContact O-N 3.43Å; L551-S555 VanDerWaalsContact O-CB 3.29Å; L551-S555 WeakPolarHBondContact O-CB 3.47Å; L551-S555 PolarHBondContact O-N 3.17Å; L551-S555 PolarHBondContact O-OG 3.45Å; L551-I675 HydrophobicContact CB-CG1 4.28Å; L551-I675 HydrophobicContact CD1-CG2 4.43Å; L551-I675 HydrophobicContact CD2-CD1 4.33Å; L551-I675 HydrophobicContact CD2-CG1 4.04Å; L551-I675 HydrophobicContact CD2-CG2 4.16Å; L551-L711 HydrophobicContact CD1-CD1 4.45Å
552	F	92.2	Very high	89.3	Confident	27 Å²	27	56.3 Å²	56.3	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-46.2	-178	-80.8	-72.7	0	0	0	112.1	F517 V548 N549 S555 N556 L557 D558 L562 L666	F517-F552 HydrophobicContact CE2-CE1 4.24Å; V548-F552 HydrophobicContact CG1-CD2 3.6Å; V548-F552 HydrophobicContact CG1-CE2 3.32Å; V548-F552 VanDerWaalsContact O-CD2 3.26Å; V548-F552 WeakPolarHBondContact O-CD2 3.18Å; V548-F552 PolarHBondContact O-N 2.82Å; N549-F552 PolarHBondContact O-N 3.11Å; F552-S555 PolarHBondContact O-N 3.19Å; F552-S555 PolarHBondContact O-OG 2.8Å; F552-N556 PolarHBondContact O-N 3.46Å; F552-N556 VanDerWaalsContact O-N 3.09Å; F552-L557 HydrophobicContact CD1-CB 3.48Å; F552-L557 VanDerWaalsContact CD1-CB 3.48Å; F552-L557 WeakPolarHBondContact CD1-O 3.41Å; F552-L557 HydrophobicContact CE1-CB 4.04Å; F552-L557 PolarHBondContact O-N 3.24Å; F552-D558 WeakPolarHBondContact CB-OD1 3.37Å; F552-L562 HydrophobicContact CE1-CD2 4.41Å; F552-L562 HydrophobicContact CZ-CD1 3.72Å; F552-L562 HydrophobicContact CZ-CD2 4.38Å; F552-L562 HydrophobicContact CZ-CG 4.22Å; F552-L666 HydrophobicContact CZ-CD1 4.2Å
553	S	90.7	Very high	90.1	Very high	54 Å²	54	54.1 Å²	54.1	38%	0.378	29%	0.288	S	S	.	.	H	α-helix	trans	-67.6	-42.1	-178.8	48.1	0	0	0	0	113.3	N549 K550 L551 N556 D558	N549-S553 PolarHBondContact O-N 2.93Å; N549-S553 PolarHBondContact O-OG 3.14Å; K550-S553 WeakPolarHBondContact CA-OG 3.5Å; K550-S553 PolarHBondContact O-OG 3.21Å; L551-S553 VanDerWaalsContact C-N 3.34Å; L551-S553 PolarHBondContact O-N 2.75Å; S553-N556 PolarHBondContact O-N 3.23Å; S553-D558 WeakPolarHBondContact CA-OD1 3.42Å; S553-D558 WeakPolarHBondContact CA-OD2 3.3Å; S553-D558 PolarHBondContact N-OD1 3.45Å
554	E	91.8	Very high	90.4	Very high	80 Å²	80	55.4 Å²	55.4	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-76.2	-23.2	179.3	-67.7	-175.2	-155.6	0	0	113.9	Y524 K546 K550 L551	Y524-E554 HydrophobicContact CD2-CB 4.35Å; Y524-E554 HydrophobicContact CE2-CB 3.74Å; Y524-E554 WeakPolarHBondContact CE2-OE2 3.39Å; Y524-E554 PolarHBondContact OH-OE2 3.28Å; K546-E554 IonicContact NZ-OE1 2.72Å; K546-E554 PolarHBondContact NZ-OE1 3.26Å; K546-E554 IonicContact NZ-OE2 3.73Å; K546-E554 PolarHBondContact NZ-OE2 2.88Å; K550-E554 WeakPolarHBondContact CE-OE1 3.49Å; K550-E554 HydrophobicContact CG-CG 4.4Å; K550-E554 WeakPolarHBondContact CG-OE1 3.09Å; K550-E554 WeakPolarHBondContact O-CB 3.47Å; K550-E554 WeakPolarHBondContact O-CG 3.23Å; K550-E554 PolarHBondContact O-N 2.93Å; K550-E554 VanDerWaalsContact O-N 3.15Å; L551-E554 PolarHBondContact O-N 3.43Å
555	S	90	Very high	90.5	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.021	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	2.1	176.8	60.7	0	0	0	0	113.6	L551 F552 L557	L551-S555 VanDerWaalsContact O-CB 3.29Å; L551-S555 WeakPolarHBondContact O-CB 3.47Å; L551-S555 PolarHBondContact O-N 3.17Å; L551-S555 PolarHBondContact O-OG 3.45Å; F552-S555 PolarHBondContact O-N 3.19Å; F552-S555 PolarHBondContact O-OG 2.8Å; S555-L557 PolarHBondContact O-N 2.98Å; S555-L557 VanDerWaalsContact OG-CD1 3.22Å; S555-L557 WeakPolarHBondContact OG-CD1 3.21Å; S555-L557 VanDerWaalsContact OG-CG 3.27Å; S555-L557 WeakPolarHBondContact OG-CG 3.33Å
556	N	89.5	Confident	90.4	Very high	120 Å²	120	51.5 Å²	51.5	64%	0.642	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	35.2	-174.1	-58.8	-46.9	0	0	0	113.3	F552 S553	F552-N556 PolarHBondContact O-N 3.46Å; F552-N556 VanDerWaalsContact O-N 3.09Å; S553-N556 PolarHBondContact O-N 3.23Å
557	L	89.5	Confident	90.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.286	C	S	.	.			trans	-100.1	4.1	-179.8	-65.4	177.4	0	0	0	112.9	F517 Q520 L521 F552 S555 N559 I560	F517-L557 HydrophobicContact CB-CD2 4.45Å; F517-L557 HydrophobicContact CD2-CD1 3.85Å; F517-L557 HydrophobicContact CD2-CD2 3.7Å; F517-L557 HydrophobicContact CD2-CG 4.29Å; F517-L557 HydrophobicContact CE2-CD1 3.67Å; F517-L557 HydrophobicContact CE2-CD2 4.31Å; F517-L557 HydrophobicContact CE2-CG 4.41Å; F517-L557 HydrophobicContact CG-CD2 4.31Å; F517-L557 HydrophobicContact CZ-CD1 4.25Å; Q520-L557 HydrophobicContact CB-CD2 3.66Å; Q520-L557 HydrophobicContact CB-CG 4.19Å; Q520-L557 HydrophobicContact CG-CD2 3.96Å; L521-L557 HydrophobicContact CD2-CD1 3.66Å; L521-L557 HydrophobicContact CG-CD1 3.93Å; F552-L557 HydrophobicContact CD1-CB 3.48Å; F552-L557 VanDerWaalsContact CD1-CB 3.48Å; F552-L557 WeakPolarHBondContact CD1-O 3.41Å; F552-L557 HydrophobicContact CE1-CB 4.04Å; F552-L557 PolarHBondContact O-N 3.24Å; S555-L557 PolarHBondContact O-N 2.98Å; S555-L557 VanDerWaalsContact OG-CD1 3.22Å; S555-L557 WeakPolarHBondContact OG-CD1 3.21Å; S555-L557 VanDerWaalsContact OG-CG 3.27Å; S555-L557 WeakPolarHBondContact OG-CG 3.33Å; L557-N559 PolarHBondContact O-N 2.84Å; L557-N559 VanDerWaalsContact O-N 3.12Å; L557-I560 HydrophobicContact CB-CD1 4.35Å; L557-I560 HydrophobicContact CD2-CD1 3.39Å; L557-I560 HydrophobicContact CG-CD1 4.48Å; L557-I560 PolarHBondContact O-N 2.95Å
558	D	87.4	Confident	90	Very high	93 Å²	93	51.6 Å²	51.6	50%	0.497	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.1	-175.5	-62.9	-31.7	0	0	0	114.4	F552 S553 I560	F552-D558 WeakPolarHBondContact CB-OD1 3.37Å; S553-D558 WeakPolarHBondContact CA-OD1 3.42Å; S553-D558 WeakPolarHBondContact CA-OD2 3.3Å; S553-D558 PolarHBondContact N-OD1 3.45Å; D558-I560 VanDerWaalsContact C-N 3.32Å; D558-I560 PolarHBondContact O-N 2.85Å
559	N	86.4	Confident	89.9	Confident	168 Å²	168	51.3 Å²	51.3	90%	0.898	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	13.4	-174.2	-64.1	-34	0	0	0	113.7	L557	L557-N559 PolarHBondContact O-N 2.84Å; L557-N559 VanDerWaalsContact O-N 3.12Å
560	I	87.4	Confident	89.5	Confident	40 Å²	40	49 Å²	49	21%	0.205	26%	0.255	C	S	.	.			trans	-107	127.1	-174.6	-69.2	167.9	0	0	0	110.3	F517 L557 D558 L562 F565	F517-I560 HydrophobicContact CB-CD1 4.36Å; F517-I560 HydrophobicContact CD2-CD1 3.94Å; F517-I560 HydrophobicContact CD2-CG2 4.17Å; L557-I560 HydrophobicContact CB-CD1 4.35Å; L557-I560 HydrophobicContact CD2-CD1 3.39Å; L557-I560 HydrophobicContact CG-CD1 4.48Å; L557-I560 PolarHBondContact O-N 2.95Å; D558-I560 VanDerWaalsContact C-N 3.32Å; D558-I560 PolarHBondContact O-N 2.85Å; I560-L562 HydrophobicContact CG2-CD2 4.24Å; I560-F565 HydrophobicContact CG2-CD2 4.22Å; I560-F565 HydrophobicContact CG2-CE1 4.13Å; I560-F565 HydrophobicContact CG2-CE2 3.3Å; I560-F565 HydrophobicContact CG2-CZ 3.25Å
561	N	88.6	Confident	89.1	Confident	89 Å²	89	46.3 Å²	46.3	48%	0.476	24%	0.242	S	C	.	.			trans	-87.3	109.8	171.4	-172.8	-14.1	0	0	0	110	G563 E564	N561-G563 PolarHBondContact OD1-N 2.79Å; N561-E564 HydrophobicContact CB-CG 3.99Å
562	L	90.9	Very high	88.2	Confident	14 Å²	14	48.8 Å²	48.8	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-68.5	-31.9	-179.9	-62	-176.4	0	0	0	113.4	F517 F552 I560 E564 F565 I566 L663 L666	F517-L562 HydrophobicContact CD2-CD2 4.33Å; F517-L562 HydrophobicContact CE2-CD2 3.63Å; F517-L562 HydrophobicContact CZ-CD2 3.98Å; F552-L562 HydrophobicContact CE1-CD2 4.41Å; F552-L562 HydrophobicContact CZ-CD1 3.72Å; F552-L562 HydrophobicContact CZ-CD2 4.38Å; F552-L562 HydrophobicContact CZ-CG 4.22Å; I560-L562 HydrophobicContact CG2-CD2 4.24Å; L562-E564 VanDerWaalsContact C-N 3.25Å; L562-E564 PolarHBondContact O-N 2.82Å; L562-F565 HydrophobicContact CD2-CD2 4.26Å; L562-F565 WeakPolarHBondContact O-CA 3.42Å; L562-F565 WeakPolarHBondContact O-CB 3.36Å; L562-F565 PolarHBondContact O-N 2.84Å; L562-I566 PolarHBondContact O-N 3.48Å; L562-I566 VanDerWaalsContact O-N 3.1Å; L562-L663 HydrophobicContact CD2-CD2 3.91Å; L562-L666 HydrophobicContact CD1-CB 3.4Å; L562-L666 VanDerWaalsContact CD1-CB 3.4Å; L562-L666 HydrophobicContact CD1-CD1 4.07Å; L562-L666 HydrophobicContact CD1-CG 4.41Å
563	G	89.8	Confident	87.1	Confident	6 Å²	6	49.7 Å²	49.7	6%	0.062	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-39.8	179.2	0	0	0	0	0	111.4	N561 F565 I566 D567 E667	N561-G563 PolarHBondContact OD1-N 2.79Å; G563-F565 PolarHBondContact O-N 3.26Å; G563-I566 PolarHBondContact O-N 3.2Å; G563-I566 VanDerWaalsContact O-N 3.12Å; G563-D567 WeakPolarHBondContact O-CB 3.35Å; G563-D567 VanDerWaalsContact O-CG 3.25Å; G563-D567 PolarHBondContact O-N 3.23Å; G563-E667 VanDerWaalsContact CA-OE1 3.31Å; G563-E667 WeakPolarHBondContact CA-OE1 3.12Å
564	E	90	Very high	86.8	Confident	59 Å²	59	47.1 Å²	47.1	28%	0.276	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-26.4	176	-60.6	-178.9	144.3	0	0	113.1	R510 N561 L562 C568	R510-E564 IonicContact CZ-OE1 2.84Å; R510-E564 IonicContact CZ-OE2 2.5Å; R510-E564 IonicContact NH1-OE1 2.91Å; R510-E564 IonicContact NH1-OE2 3.04Å; R510-E564 PolarHBondContact NH1-OE2 3.49Å; R510-E564 IonicContact NH2-OE1 3.36Å; R510-E564 PolarHBondContact NH2-OE1 3.35Å; R510-E564 IonicContact NH2-OE2 2.79Å; R510-E564 PolarHBondContact NH2-OE2 2.9Å; R510-E564 VanDerWaalsContact NH2-OE2 3.08Å; N561-E564 HydrophobicContact CB-CG 3.99Å; L562-E564 VanDerWaalsContact C-N 3.25Å; L562-E564 PolarHBondContact O-N 2.82Å; E564-C568 WeakPolarHBondContact O-CB 3.43Å; E564-C568 PolarHBondContact O-N 2.81Å; E564-C568 VanDerWaalsContact O-N 3.17Å
565	F	92.6	Very high	86.4	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-77.6	-40.2	175.3	-64	-8	0	0	0	111.2	Q513 I514 F517 I560 L562 G563 C568 L569 L663	Q513-F565 HydrophobicContact CB-CE1 3.63Å; Q513-F565 HydrophobicContact CB-CZ 3.79Å; I514-F565 HydrophobicContact CD1-CB 4.22Å; I514-F565 HydrophobicContact CD1-CD1 4.33Å; I514-F565 HydrophobicContact CD1-CG 4.29Å; I514-F565 HydrophobicContact CG1-CB 4.05Å; I514-F565 HydrophobicContact CG1-CD1 3.66Å; I514-F565 HydrophobicContact CG1-CD2 3.96Å; I514-F565 HydrophobicContact CG1-CE1 4.01Å; I514-F565 HydrophobicContact CG1-CE2 4.26Å; I514-F565 HydrophobicContact CG1-CG 3.63Å; I514-F565 HydrophobicContact CG1-CZ 4.28Å; F517-F565 HydrophobicContact CB-CE2 3.8Å; F517-F565 HydrophobicContact CB-CZ 4.37Å; F517-F565 AromaticContact CD2-CE2 3.92Å; F517-F565 HydrophobicContact CD2-CE2 3.92Å; F517-F565 AromaticContact CG-CE2 3.88Å; F517-F565 HydrophobicContact CG-CE2 3.88Å; I560-F565 HydrophobicContact CG2-CD2 4.22Å; I560-F565 HydrophobicContact CG2-CE1 4.13Å; I560-F565 HydrophobicContact CG2-CE2 3.3Å; I560-F565 HydrophobicContact CG2-CZ 3.25Å; L562-F565 HydrophobicContact CD2-CD2 4.26Å; L562-F565 WeakPolarHBondContact O-CA 3.42Å; L562-F565 WeakPolarHBondContact O-CB 3.36Å; L562-F565 PolarHBondContact O-N 2.84Å; G563-F565 PolarHBondContact O-N 3.26Å; F565-C568 PolarHBondContact O-N 2.96Å; F565-L569 WeakPolarHBondContact O-CB 3.37Å; F565-L569 VanDerWaalsContact O-CG 3.27Å; F565-L569 WeakPolarHBondContact O-CG 3.47Å; F565-L569 PolarHBondContact O-N 2.88Å; F565-L663 HydrophobicContact CB-CD1 3.96Å; F565-L663 HydrophobicContact CD2-CD2 4.25Å
566	I	90.3	Very high	85.8	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-50.9	177.3	-66	162.4	0	0	0	108.9	L562 G563 C568 L569 E570 L663 Q664 E667	L562-I566 PolarHBondContact O-N 3.48Å; L562-I566 VanDerWaalsContact O-N 3.1Å; G563-I566 PolarHBondContact O-N 3.2Å; G563-I566 VanDerWaalsContact O-N 3.12Å; I566-C568 VanDerWaalsContact C-N 3.29Å; I566-C568 PolarHBondContact O-N 2.89Å; I566-L569 PolarHBondContact O-N 2.73Å; I566-E570 HydrophobicContact CG2-CG 4.38Å; I566-E570 WeakPolarHBondContact CG2-OE1 3.46Å; I566-E570 WeakPolarHBondContact O-CB 3.46Å; I566-E570 WeakPolarHBondContact O-CG 3.32Å; I566-E570 PolarHBondContact O-N 2.82Å; I566-L663 HydrophobicContact CD1-CB 4.06Å; I566-L663 HydrophobicContact CG1-CB 3.79Å; I566-Q664 HydrophobicContact CD1-CG 4.05Å; I566-Q664 HydrophobicContact CG1-CG 4.32Å; I566-Q664 HydrophobicContact CG2-CG 4.27Å; I566-E667 HydrophobicContact CD1-CB 3.98Å; I566-E667 HydrophobicContact CD1-CG 4.49Å; I566-E667 WeakPolarHBondContact CD1-OE2 3.23Å
567	D	88.1	Confident	85.4	Confident	80 Å²	80	41.8 Å²	41.8	43%	0.428	21%	0.211	S	C	.	.	H	α-helix	trans	-53	-46.4	174.3	-68.3	-18.7	0	0	0	111.3	F245 G563 L569 E570 Y571	F245-D567 HydrophobicContact CE1-CB 4.48Å; G563-D567 WeakPolarHBondContact O-CB 3.35Å; G563-D567 VanDerWaalsContact O-CG 3.25Å; G563-D567 PolarHBondContact O-N 3.23Å; D567-L569 PolarHBondContact O-N 2.8Å; D567-E570 PolarHBondContact O-N 3.03Å; D567-Y571 WeakPolarHBondContact O-CB 3.49Å; D567-Y571 PolarHBondContact O-N 3.2Å
568	C	88.9	Confident	85.3	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.034	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-36.4	179.7	-178.9	0	0	0	0	113.4	L507 R510 E564 F565 I566	L507-C568 VanDerWaalsContact CD1-SG 3.5Å; R510-C568 HydrophobicContact CB-CB 4.24Å; R510-C568 HydrophobicContact CG-CB 4.47Å; E564-C568 WeakPolarHBondContact O-CB 3.43Å; E564-C568 PolarHBondContact O-N 2.81Å; E564-C568 VanDerWaalsContact O-N 3.17Å; F565-C568 PolarHBondContact O-N 2.96Å; I566-C568 VanDerWaalsContact C-N 3.29Å; I566-C568 PolarHBondContact O-N 2.89Å
569	L	88.5	Confident	85.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-78.1	-35.3	-179.6	-73	175.2	0	0	0	111.6	F492 I514 F565 I566 D567 F574 I575 L578 F659 L663	F492-L569 HydrophobicContact CE1-CD2 4.35Å; F492-L569 HydrophobicContact CZ-CD2 4.18Å; I514-L569 HydrophobicContact CD1-CD2 4.43Å; I514-L569 HydrophobicContact CD1-CG 4.35Å; F565-L569 WeakPolarHBondContact O-CB 3.37Å; F565-L569 VanDerWaalsContact O-CG 3.27Å; F565-L569 WeakPolarHBondContact O-CG 3.47Å; F565-L569 PolarHBondContact O-N 2.88Å; I566-L569 PolarHBondContact O-N 2.73Å; D567-L569 PolarHBondContact O-N 2.8Å; L569-F574 HydrophobicContact CD2-CD1 4.39Å; L569-F574 PolarHBondContact O-N 3.39Å; L569-I575 HydrophobicContact CB-CD1 4Å; L569-I575 HydrophobicContact CB-CG1 3.86Å; L569-I575 HydrophobicContact CD2-CG1 4.24Å; L569-I575 WeakPolarHBondContact O-CG1 3.34Å; L569-I575 PolarHBondContact O-N 2.81Å; L569-L578 HydrophobicContact CD2-CD1 4.12Å; L569-F659 HydrophobicContact CD1-CD1 4.31Å; L569-F659 HydrophobicContact CD1-CE1 4.32Å; L569-L663 HydrophobicContact CD1-CD1 3.8Å
570	E	83.4	Confident	85	Confident	77 Å²	77	30.7 Å²	30.7	36%	0.36	16%	0.156	S	C	.	.	H	α-helix	trans	-76.5	-33.7	178	-68.4	178.9	-179.5	0	0	111.8	I566 D567 Q572 H573 H660 Q664	I566-E570 HydrophobicContact CG2-CG 4.38Å; I566-E570 WeakPolarHBondContact CG2-OE1 3.46Å; I566-E570 WeakPolarHBondContact O-CB 3.46Å; I566-E570 WeakPolarHBondContact O-CG 3.32Å; I566-E570 PolarHBondContact O-N 2.82Å; D567-E570 PolarHBondContact O-N 3.03Å; E570-Q572 PolarHBondContact O-N 2.9Å; E570-H573 PolarHBondContact O-N 2.84Å; E570-H660 WeakPolarHBondContact CG-NE2 3.39Å; E570-H660 IonicContact OE1-CD2 3.95Å; E570-H660 IonicContact OE1-CE1 3.44Å; E570-H660 PolarHBondContact OE1-CE1 3.39Å; E570-H660 IonicContact OE1-NE2 3.07Å; E570-H660 PolarHBondContact OE1-NE2 2.94Å; E570-Q664 PolarHBondContact OE1-NE2 3.33Å
571	Y	81.9	Confident	85	Confident	45 Å²	45	28.9 Å²	28.9	18%	0.176	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-49.5	122.3	-178.3	-180	-99	0	0	0	113.3	L244 D567 H573 F574	L244-Y571 HydrophobicContact CD1-CD1 4.14Å; L244-Y571 HydrophobicContact CD1-CD2 4.29Å; L244-Y571 HydrophobicContact CD1-CE1 3.53Å; L244-Y571 HydrophobicContact CD1-CE2 3.71Å; L244-Y571 HydrophobicContact CD1-CG 4.48Å; L244-Y571 WeakPolarHBondContact CD1-OH 3.41Å; D567-Y571 WeakPolarHBondContact O-CB 3.49Å; D567-Y571 PolarHBondContact O-N 3.2Å; Y571-H573 PolarHBondContact O-N 3.47Å; Y571-F574 VanDerWaalsContact O-CB 3.23Å; Y571-F574 WeakPolarHBondContact O-CB 3.42Å; Y571-F574 PolarHBondContact O-N 2.79Å
572	Q	74.2	Confident	84.8	Confident	55 Å²	55	25 Å²	25	26%	0.257	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	48	34	179.5	-67.7	-172	-8.9	0	0	113.3	E570 F574	E570-Q572 PolarHBondContact O-N 2.9Å; Q572-F574 VanDerWaalsContact C-N 3.28Å; Q572-F574 PolarHBondContact O-N 2.8Å
573	H	69.6	Low	84.3	Confident	45 Å²	45	28.3 Å²	28.3	21%	0.208	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	52.6	42.7	-175.6	-55.9	-84.8	0	0	0	113.5	D254 R337 E570 Y571 I575 M576	D254-H573 IonicContact OD1-CD2 3.94Å; D254-H573 IonicContact OD1-NE2 3.55Å; D254-H573 IonicContact OD2-CD2 2.99Å; D254-H573 IonicContact OD2-NE2 3.24Å; R337-H573 PolarHBondContact NH2-CD2 3.3Å; R337-H573 PolarHBondContact NH2-NE2 2.9Å; E570-H573 PolarHBondContact O-N 2.84Å; Y571-H573 PolarHBondContact O-N 3.47Å; H573-I575 PolarHBondContact O-N 2.99Å; H573-M576 HydrophobicContact CB-CG 4.21Å; H573-M576 WeakPolarHBondContact O-CB 3.35Å; H573-M576 PolarHBondContact O-N 2.95Å
574	F	83.1	Confident	84.1	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.2	-33.6	-175.5	-176.2	-114.3	0	0	0	113.5	C238 Y495 L507 L511 L569 Y571 Q572 M576 K577 L578	C238-F574 HydrophobicContact CB-CD2 4.33Å; Y495-F574 HydrophobicContact CD1-CZ 4.13Å; Y495-F574 AromaticContact CE1-CE2 3.78Å; Y495-F574 HydrophobicContact CE1-CE2 3.78Å; Y495-F574 AromaticContact CE1-CZ 3.58Å; Y495-F574 HydrophobicContact CE1-CZ 3.58Å; Y495-F574 HydrophobicContact CE2-CE2 4.34Å; Y495-F574 AromaticContact CZ-CE2 3.6Å; Y495-F574 AromaticContact CZ-CZ 3.84Å; Y495-F574 WeakPolarHBondContact OH-CE2 3.38Å; L507-F574 HydrophobicContact CD1-CE1 4.5Å; L507-F574 HydrophobicContact CD1-CZ 4.47Å; L507-F574 HydrophobicContact CD2-CE2 4.32Å; L511-F574 HydrophobicContact CD1-CE1 4.31Å; L511-F574 HydrophobicContact CD1-CZ 3.86Å; L511-F574 HydrophobicContact CD2-CD1 4.43Å; L511-F574 HydrophobicContact CD2-CE1 3.37Å; L511-F574 HydrophobicContact CD2-CZ 3.79Å; L511-F574 HydrophobicContact CG-CE1 4.38Å; L511-F574 HydrophobicContact CG-CZ 4.42Å; L569-F574 HydrophobicContact CD2-CD1 4.39Å; L569-F574 PolarHBondContact O-N 3.39Å; Y571-F574 VanDerWaalsContact O-CB 3.23Å; Y571-F574 WeakPolarHBondContact O-CB 3.42Å; Y571-F574 PolarHBondContact O-N 2.79Å; Q572-F574 VanDerWaalsContact C-N 3.28Å; Q572-F574 PolarHBondContact O-N 2.8Å; F574-M576 PolarHBondContact O-N 2.9Å; F574-M576 VanDerWaalsContact O-N 3.12Å; F574-K577 HydrophobicContact CD2-CB 4.31Å; F574-K577 HydrophobicContact CD2-CD 4.38Å; F574-K577 WeakPolarHBondContact O-CB 3.48Å; F574-K577 PolarHBondContact O-N 3.32Å; F574-L578 HydrophobicContact CD1-CD1 3.9Å; F574-L578 HydrophobicContact CD1-CG 4.12Å; F574-L578 HydrophobicContact CE1-CD1 3.54Å; F574-L578 HydrophobicContact CE1-CD2 3.84Å; F574-L578 HydrophobicContact CE1-CG 3.65Å; F574-L578 HydrophobicContact CE2-CD2 4.43Å; F574-L578 HydrophobicContact CE2-CG 4.42Å; F574-L578 HydrophobicContact CZ-CD1 4.23Å; F574-L578 HydrophobicContact CZ-CD2 3.66Å; F574-L578 HydrophobicContact CZ-CG 3.83Å; F574-L578 PolarHBondContact O-N 3.42Å
575	I	84.1	Confident	83.8	Confident	10 Å²	10	30 Å²	30	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-49.6	-38.2	170.1	-68.9	167	0	0	0	111.5	L569 H573 L578 I579 L656 F657 H660	L569-I575 HydrophobicContact CB-CD1 4Å; L569-I575 HydrophobicContact CB-CG1 3.86Å; L569-I575 HydrophobicContact CD2-CG1 4.24Å; L569-I575 WeakPolarHBondContact O-CG1 3.34Å; L569-I575 PolarHBondContact O-N 2.81Å; H573-I575 PolarHBondContact O-N 2.99Å; I575-L578 WeakPolarHBondContact O-CB 3.4Å; I575-L578 PolarHBondContact O-N 3.5Å; I575-I579 HydrophobicContact CG2-CD1 4.01Å; I575-I579 WeakPolarHBondContact O-CG1 3.29Å; I575-I579 PolarHBondContact O-N 3.22Å; I575-L656 HydrophobicContact CB-CD2 4.14Å; I575-L656 HydrophobicContact CG1-CD2 4.4Å; I575-L656 HydrophobicContact CG2-CD2 3.53Å; I575-L656 HydrophobicContact CG2-CG 3.98Å; I575-F657 HydrophobicContact CG2-CE1 4.07Å; I575-F657 HydrophobicContact CG2-CZ 4.13Å; I575-H660 HydrophobicContact CD1-CB 4.03Å
576	M	76.5	Confident	83.1	Confident	44 Å²	44	32.3 Å²	32.3	22%	0.217	16%	0.156	C	C	.	.	H	α-helix	trans	-72.2	-39.2	-179.6	-62.8	-44.6	113.5	0	0	112.9	I330 H573 F574 L578 I579 G580 F657	I330-M576 HydrophobicContact CB-SD 3.94Å; I330-M576 HydrophobicContact CD1-CE 3.59Å; I330-M576 HydrophobicContact CD1-SD 3.29Å; I330-M576 WeakPolarHBondContact CD1-SD 3.41Å; I330-M576 HydrophobicContact CG1-CE 3.73Å; I330-M576 HydrophobicContact CG1-SD 3.4Å; I330-M576 WeakPolarHBondContact CG1-SD 3.25Å; I330-M576 HydrophobicContact CG2-CG 3.91Å; I330-M576 HydrophobicContact CG2-SD 3.23Å; I330-M576 WeakPolarHBondContact CG2-SD 3.25Å; H573-M576 HydrophobicContact CB-CG 4.21Å; H573-M576 WeakPolarHBondContact O-CB 3.35Å; H573-M576 PolarHBondContact O-N 2.95Å; F574-M576 PolarHBondContact O-N 2.9Å; F574-M576 VanDerWaalsContact O-N 3.12Å; M576-L578 PolarHBondContact O-N 2.93Å; M576-I579 HydrophobicContact CE-CD1 4.01Å; M576-I579 PolarHBondContact O-N 3.38Å; M576-I579 HydrophobicContact SD-CD1 4.11Å; M576-G580 PolarHBondContact O-N 3.47Å; M576-F657 HydrophobicContact CE-CE1 4.04Å; M576-F657 HydrophobicContact CE-CE2 4.26Å; M576-F657 HydrophobicContact CE-CZ 3.42Å; M576-F657 VanDerWaalsContact CE-CZ 3.42Å
577	K	82.9	Confident	82.4	Confident	37 Å²	37	36.5 Å²	36.5	16%	0.161	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-39.7	174.7	-65.6	-179.1	-173.9	-178.2	0	110.3	F236 L237 C238 F574 F581	F236-K577 WeakPolarHBondContact O-CB 3.45Å; F236-K577 WeakPolarHBondContact O-CD 3.22Å; L237-K577 PolarHBondContact O-NZ 3.1Å; C238-K577 PolarHBondContact SG-NZ 2.75Å; F574-K577 HydrophobicContact CD2-CB 4.31Å; F574-K577 HydrophobicContact CD2-CD 4.38Å; F574-K577 WeakPolarHBondContact O-CB 3.48Å; F574-K577 PolarHBondContact O-N 3.32Å; K577-F581 WeakPolarHBondContact O-CB 3.5Å; K577-F581 PolarHBondContact O-N 2.77Å
578	L	87.4	Confident	81.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-45	173.3	-69.3	176.6	0	0	0	112.7	L491 F492 Y495 L569 F574 I575 M576 F581 S582 L656	L491-L578 HydrophobicContact CD2-CB 4.26Å; F492-L578 HydrophobicContact CE1-CD1 3.67Å; F492-L578 HydrophobicContact CZ-CD1 4.1Å; Y495-L578 HydrophobicContact CD1-CD2 4.21Å; Y495-L578 HydrophobicContact CD2-CD2 3.76Å; Y495-L578 HydrophobicContact CE2-CD2 4.24Å; Y495-L578 HydrophobicContact CG-CD2 3.76Å; L569-L578 HydrophobicContact CD2-CD1 4.12Å; F574-L578 HydrophobicContact CD1-CD1 3.9Å; F574-L578 HydrophobicContact CD1-CG 4.12Å; F574-L578 HydrophobicContact CE1-CD1 3.54Å; F574-L578 HydrophobicContact CE1-CD2 3.84Å; F574-L578 HydrophobicContact CE1-CG 3.65Å; F574-L578 HydrophobicContact CE2-CD2 4.43Å; F574-L578 HydrophobicContact CE2-CG 4.42Å; F574-L578 HydrophobicContact CZ-CD1 4.23Å; F574-L578 HydrophobicContact CZ-CD2 3.66Å; F574-L578 HydrophobicContact CZ-CG 3.83Å; F574-L578 PolarHBondContact O-N 3.42Å; I575-L578 WeakPolarHBondContact O-CB 3.4Å; I575-L578 PolarHBondContact O-N 3.5Å; M576-L578 PolarHBondContact O-N 2.93Å; L578-F581 PolarHBondContact O-N 2.94Å; L578-S582 WeakPolarHBondContact O-CB 3.38Å; L578-S582 PolarHBondContact O-N 2.96Å; L578-L656 HydrophobicContact CB-CD2 3.76Å; L578-L656 HydrophobicContact CD1-CD1 4.18Å; L578-L656 HydrophobicContact CD1-CD2 3.98Å
579	I	83.3	Confident	80.8	Confident	10 Å²	10	37.8 Å²	37.8	5%	0.051	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-45.4	177.1	-67.7	169.7	0	0	0	110.9	I330 I575 M576 S582 K583 L656 F657	I330-I579 HydrophobicContact CD1-CD1 4.38Å; I575-I579 HydrophobicContact CG2-CD1 4.01Å; I575-I579 WeakPolarHBondContact O-CG1 3.29Å; I575-I579 PolarHBondContact O-N 3.22Å; M576-I579 HydrophobicContact CE-CD1 4.01Å; M576-I579 PolarHBondContact O-N 3.38Å; M576-I579 HydrophobicContact SD-CD1 4.11Å; I579-S582 WeakPolarHBondContact O-CB 3.26Å; I579-S582 PolarHBondContact O-N 2.9Å; I579-K583 PolarHBondContact O-N 3.25Å; I579-K583 VanDerWaalsContact O-N 3.11Å; I579-L656 HydrophobicContact CD1-CD2 4.48Å; I579-L656 HydrophobicContact CG1-CD2 3.95Å; I579-F657 HydrophobicContact CD1-CD2 4.45Å; I579-F657 HydrophobicContact CD1-CE2 3.78Å; I579-F657 HydrophobicContact CD1-CZ 4.34Å
580	G	82.8	Confident	79.4	Confident	20 Å²	20	42.2 Å²	42.2	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-48.4	176.9	0	0	0	0	0	111.7	M576 S582 K583 W584	M576-G580 PolarHBondContact O-N 3.47Å; G580-S582 VanDerWaalsContact C-N 3.31Å; G580-S582 PolarHBondContact O-N 3.25Å; G580-K583 PolarHBondContact O-N 3.33Å; G580-W584 WeakPolarHBondContact O-CB 3.41Å; G580-W584 PolarHBondContact O-N 3.42Å
581	F	87.1	Confident	77.9	Confident	1 Å²	1	42.7 Å²	42.7	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-43.9	174.1	174.7	-98.9	0	0	0	111.5	F236 L491 Y495 Y498 Y499 K577 L578 K583 W584 Y585	F236-F581 HydrophobicContact CB-CB 4.35Å; F236-F581 HydrophobicContact CG-CB 4.37Å; L491-F581 HydrophobicContact CD1-CD1 4.06Å; Y495-F581 HydrophobicContact CD2-CB 4.05Å; Y495-F581 AromaticContact CD2-CD1 3.76Å; Y495-F581 HydrophobicContact CD2-CD1 3.76Å; Y495-F581 HydrophobicContact CD2-CD2 4.11Å; Y495-F581 HydrophobicContact CD2-CE1 4.25Å; Y495-F581 AromaticContact CD2-CG 3.68Å; Y495-F581 HydrophobicContact CD2-CG 3.68Å; Y495-F581 HydrophobicContact CE2-CB 4.4Å; Y495-F581 HydrophobicContact CE2-CG 4.37Å; Y495-F581 HydrophobicContact CG-CD1 4.41Å; Y498-F581 AromaticContact CD1-CE2 3.72Å; Y498-F581 HydrophobicContact CD1-CE2 3.72Å; Y498-F581 HydrophobicContact CE1-CE2 4.49Å; Y498-F581 AromaticContact CG-CE2 3.83Å; Y498-F581 HydrophobicContact CG-CE2 3.83Å; Y498-F581 HydrophobicContact CG-CZ 4.31Å; Y499-F581 AromaticContact CE2-CD2 3.76Å; Y499-F581 HydrophobicContact CE2-CD2 3.76Å; Y499-F581 HydrophobicContact CE2-CE2 4.03Å; K577-F581 WeakPolarHBondContact O-CB 3.5Å; K577-F581 PolarHBondContact O-N 2.77Å; L578-F581 PolarHBondContact O-N 2.94Å; F581-K583 PolarHBondContact O-N 2.86Å; F581-W584 HydrophobicContact CD2-CE3 4.01Å; F581-W584 HydrophobicContact CD2-CZ3 4.29Å; F581-W584 HydrophobicContact CE2-CE3 4Å; F581-W584 AromaticContact CE2-CZ3 3.85Å; F581-W584 HydrophobicContact CE2-CZ3 3.85Å; F581-W584 PolarHBondContact O-N 2.86Å; F581-Y585 HydrophobicContact CE1-CD2 4.34Å; F581-Y585 HydrophobicContact CE1-CG 4.16Å; F581-Y585 HydrophobicContact CE2-CD2 4.32Å; F581-Y585 AromaticContact CZ-CD2 3.75Å; F581-Y585 HydrophobicContact CZ-CD2 3.75Å; F581-Y585 HydrophobicContact CZ-CE2 4.42Å; F581-Y585 HydrophobicContact CZ-CG 4.02Å; F581-Y585 WeakPolarHBondContact O-CB 3.49Å; F581-Y585 PolarHBondContact O-N 3.34Å
582	S	85.2	Confident	76.1	Confident	8 Å²	8	47 Å²	47	6%	0.056	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-45.3	179.1	-170.1	0	0	0	0	112.5	L578 I579 G580 N586 I652	L578-S582 WeakPolarHBondContact O-CB 3.38Å; L578-S582 PolarHBondContact O-N 2.96Å; I579-S582 WeakPolarHBondContact O-CB 3.26Å; I579-S582 PolarHBondContact O-N 2.9Å; G580-S582 VanDerWaalsContact C-N 3.31Å; G580-S582 PolarHBondContact O-N 3.25Å; S582-N586 WeakPolarHBondContact O-CB 3.23Å; S582-N586 PolarHBondContact O-N 3.08Å; S582-N586 PolarHBondContact O-ND2 2.91Å; S582-I652 WeakPolarHBondContact OG-CG2 3.37Å
583	K	81.3	Confident	74.6	Confident	83 Å²	83	51.5 Å²	51.5	36%	0.361	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-46.6	176.7	-70.2	178.8	179.3	-178.6	0	111.3	I579 G580 F581 N587	I579-K583 PolarHBondContact O-N 3.25Å; I579-K583 VanDerWaalsContact O-N 3.11Å; G580-K583 PolarHBondContact O-N 3.33Å; F581-K583 PolarHBondContact O-N 2.86Å; K583-N587 WeakPolarHBondContact O-CB 3.48Å; K583-N587 PolarHBondContact O-N 2.96Å; K583-N587 VanDerWaalsContact O-N 3.14Å; K583-N587 PolarHBondContact O-ND2 3.48Å
584	W	84.9	Confident	73.3	Confident	41 Å²	41	56 Å²	56	16%	0.155	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-47.4	178.5	173.6	93.1	0	0	0	112.1	D233 F236 Y498 G580 F581 N586 N587 N588	D233-W584 VanDerWaalsContact OD1-CE2 3.29Å; D233-W584 WeakPolarHBondContact OD1-CZ2 3.18Å; D233-W584 PolarHBondContact OD1-NE1 2.96Å; F236-W584 HydrophobicContact CE2-CB 3.85Å; F236-W584 AromaticContact CE2-CD1 3.93Å; F236-W584 HydrophobicContact CE2-CD2 4.2Å; F236-W584 AromaticContact CE2-CG 3.73Å; F236-W584 HydrophobicContact CE2-CG 3.73Å; F236-W584 HydrophobicContact CZ-CB 3.91Å; F236-W584 HydrophobicContact CZ-CG 4.2Å; Y498-W584 HydrophobicContact CD1-CZ3 4.41Å; Y498-W584 HydrophobicContact CD2-CH2 4.21Å; Y498-W584 HydrophobicContact CD2-CZ3 4.27Å; Y498-W584 AromaticContact CE1-CH2 3.88Å; Y498-W584 HydrophobicContact CE1-CH2 3.88Å; Y498-W584 HydrophobicContact CE1-CZ3 4.06Å; Y498-W584 AromaticContact CE2-CH2 3.45Å; Y498-W584 HydrophobicContact CE2-CH2 3.45Å; Y498-W584 VanDerWaalsContact CE2-CH2 3.45Å; Y498-W584 AromaticContact CE2-CZ3 3.95Å; Y498-W584 HydrophobicContact CE2-CZ3 3.95Å; Y498-W584 AromaticContact CZ-CH2 3.24Å; Y498-W584 AromaticContact CZ-CZ3 3.83Å; Y498-W584 WeakPolarHBondContact OH-CH2 3.43Å; G580-W584 WeakPolarHBondContact O-CB 3.41Å; G580-W584 PolarHBondContact O-N 3.42Å; F581-W584 HydrophobicContact CD2-CE3 4.01Å; F581-W584 HydrophobicContact CD2-CZ3 4.29Å; F581-W584 HydrophobicContact CE2-CE3 4Å; F581-W584 AromaticContact CE2-CZ3 3.85Å; F581-W584 HydrophobicContact CE2-CZ3 3.85Å; F581-W584 PolarHBondContact O-N 2.86Å; W584-N586 PolarHBondContact O-N 3.33Å; W584-N587 PolarHBondContact O-N 3.02Å; W584-N588 WeakPolarHBondContact CZ2-ND2 3.36Å; W584-N588 PolarHBondContact NE1-ND2 2.98Å; W584-N588 PolarHBondContact O-N 3.04Å
585	Y	83	Confident	71.4	Confident	59 Å²	59	60 Å²	60	23%	0.231	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-43.2	-178	-174.5	-104.9	0	0	0	111.7	F581 N588 N589	F581-Y585 HydrophobicContact CE1-CD2 4.34Å; F581-Y585 HydrophobicContact CE1-CG 4.16Å; F581-Y585 HydrophobicContact CE2-CD2 4.32Å; F581-Y585 AromaticContact CZ-CD2 3.75Å; F581-Y585 HydrophobicContact CZ-CD2 3.75Å; F581-Y585 HydrophobicContact CZ-CE2 4.42Å; F581-Y585 HydrophobicContact CZ-CG 4.02Å; F581-Y585 WeakPolarHBondContact O-CB 3.49Å; F581-Y585 PolarHBondContact O-N 3.34Å; Y585-N588 PolarHBondContact O-N 2.92Å; Y585-N589 WeakPolarHBondContact CE1-ND2 3.15Å; Y585-N589 PolarHBondContact O-N 3.2Å; Y585-N589 VanDerWaalsContact O-N 3.07Å; Y585-N589 PolarHBondContact O-ND2 3.35Å
586	N	77.8	Confident	69.1	Low	52 Å²	52	67.8 Å²	67.8	28%	0.278	35%	0.347	S	S	.	.	H	α-helix	trans	-65.8	-39.9	176.8	-71.7	-20.3	0	0	0	112.3	S582 W584 N589 N590	S582-N586 WeakPolarHBondContact O-CB 3.23Å; S582-N586 PolarHBondContact O-N 3.08Å; S582-N586 PolarHBondContact O-ND2 2.91Å; W584-N586 PolarHBondContact O-N 3.33Å; N586-N589 PolarHBondContact O-N 2.99Å; N586-N590 VanDerWaalsContact O-CG 3.31Å; N586-N590 PolarHBondContact O-N 2.95Å; N586-N590 PolarHBondContact O-ND2 3.46Å
587	N	76.1	Confident	67.1	Low	95 Å²	95	74.5 Å²	74.5	51%	0.508	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-41.3	177.7	-72.9	-10	0	0	0	112	K583 W584 N590 T591	K583-N587 WeakPolarHBondContact O-CB 3.48Å; K583-N587 PolarHBondContact O-N 2.96Å; K583-N587 VanDerWaalsContact O-N 3.14Å; K583-N587 PolarHBondContact O-ND2 3.48Å; W584-N587 PolarHBondContact O-N 3.02Å; N587-N590 PolarHBondContact O-N 3.48Å; N587-T591 PolarHBondContact O-N 3.11Å; N587-T591 PolarHBondContact O-OG1 3.35Å
588	N	76.2	Confident	64.7	Low	60 Å²	60	80.8 Å²	80.8	32%	0.321	41%	0.412	S	S	.	.	H	α-helix	trans	-71.3	-32.5	179.6	-77	-12.4	0	0	0	113.5	W584 Y585 T591 Q592	W584-N588 WeakPolarHBondContact CZ2-ND2 3.36Å; W584-N588 PolarHBondContact NE1-ND2 2.98Å; W584-N588 PolarHBondContact O-N 3.04Å; Y585-N588 PolarHBondContact O-N 2.92Å; N588-T591 WeakPolarHBondContact CA-OG1 3.13Å; N588-T591 PolarHBondContact O-OG1 3.49Å; N588-Q592 PolarHBondContact O-N 2.84Å
589	N	68.5	Low	62.1	Low	52 Å²	52	87 Å²	87	28%	0.278	45%	0.445	S	S	.	.	H	α-helix	trans	-71.3	-35.2	175.3	-72.8	-16.3	0	0	0	112	Y585 N586 Q592	Y585-N589 WeakPolarHBondContact CE1-ND2 3.15Å; Y585-N589 PolarHBondContact O-N 3.2Å; Y585-N589 VanDerWaalsContact O-N 3.07Å; Y585-N589 PolarHBondContact O-ND2 3.35Å; N586-N589 PolarHBondContact O-N 2.99Å; N589-Q592 PolarHBondContact O-N 2.66Å
590	N	58	Low	59.6	Low	93 Å²	93	94 Å²	94	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-68	-36.1	177.6	-73.1	-17.3	0	0	0	112.6	N586 N587	N586-N590 VanDerWaalsContact O-CG 3.31Å; N586-N590 PolarHBondContact O-N 2.95Å; N586-N590 PolarHBondContact O-ND2 3.46Å; N587-N590 PolarHBondContact O-N 3.48Å
591	T	51.8	Low	57.3	Low	87 Å²	87	100.1 Å²	100.1	53%	0.534	52%	0.515	S	S	.	.	H	α-helix	trans	-69	-33	176.9	36.9	0	0	0	0	112.9	N587 N588 Q593	N587-T591 PolarHBondContact O-N 3.11Å; N587-T591 PolarHBondContact O-OG1 3.35Å; N588-T591 WeakPolarHBondContact CA-OG1 3.13Å; N588-T591 PolarHBondContact O-OG1 3.49Å; T591-Q593 PolarHBondContact O-N 2.75Å
592	Q	45.4	Very low	54.6	Low	134 Å²	134	105.2 Å²	105.2	63%	0.626	55%	0.551	S	S	*	*	H	α-helix	trans	-72.5	-23.7	178.4	-71.6	-174.9	9.3	0	0	114.4	N588 N589 S595	N588-Q592 PolarHBondContact O-N 2.84Å; N589-Q592 PolarHBondContact O-N 2.66Å; Q592-S595 PolarHBondContact O-OG 3.01Å
593	Q	42.1	Very low	52	Low	150 Å²	150	111.4 Å²	111.4	70%	0.701	58%	0.582	S	S	*	*	H	α-helix	trans	-80.5	-32	178.5	-69.8	-172	3.9	0	0	112.7	T591	T591-Q593 PolarHBondContact O-N 2.75Å
594	N	42.8	Very low	49.6	Very low	140 Å²	140	112.9 Å²	112.9	75%	0.749	60%	0.603	S	S	*	*	H	α-helix	trans	-78.4	-18.9	-177.7	-74.1	-18.3	0	0	0	114.1	K596	N594-K596 VanDerWaalsContact C-N 3.34Å; N594-K596 PolarHBondContact O-N 3.48Å
595	S	41.8	Very low	46.9	Very low	84 Å²	84	119.7 Å²	119.7	59%	0.587	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-79.6	-8.9	-177.5	55.3	0	0	0	0	114.8	Q592 Q597	Q592-S595 PolarHBondContact O-OG 3.01Å; S595-Q597 VanDerWaalsContact C-N 3.29Å; S595-Q597 PolarHBondContact O-N 2.73Å
596	K	37.4	Very low	44.5	Very low	174 Å²	174	122.5 Å²	122.5	76%	0.757	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-80.5	8.5	-176.5	-72.5	-173	176.9	-178.5	0	115.9	N594	N594-K596 VanDerWaalsContact C-N 3.34Å; N594-K596 PolarHBondContact O-N 3.48Å
597	Q	33.3	Very low	42.3	Very low	185 Å²	185	126.8 Å²	126.8	86%	0.864	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-117.2	10.1	-176.5	-93.8	-172.1	-8.2	0	0	116	S595	S595-Q597 VanDerWaalsContact C-N 3.29Å; S595-Q597 PolarHBondContact O-N 2.73Å
598	L	32.8	Very low	40.3	Very low	169 Å²	169	127.3 Å²	127.3	89%	0.885	70%	0.698	S	S	*	*			trans	-130	64.4	179.9	-139	80.9	0	0	0	112.4
599	D	33	Very low	38.8	Very low	131 Å²	131	128.2 Å²	128.2	70%	0.701	71%	0.709	S	S	*	*			trans	-84.4	142.3	166.4	-72.5	-33.5	0	0	0	110.3
600	N	31.1	Very low	37.8	Very low	156 Å²	156	134 Å²	134	83%	0.834	74%	0.735	S	S	*	*			trans	103	79.2	167.4	-50.7	-33.5	0	0	0	117.2
601	V	33.2	Very low	36.9	Very low	148 Å²	148	136.3 Å²	136.3	90%	0.897	74%	0.744	S	S	*	*				-153.4	131.5	128.8	179.4	0	0	0	0	109.6
602	S	30.9	Very low	36.7	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	74%	0.737	S	S	*	*			trans	-73.9	111.5	-172	38.7	0	0	0	0	116.1
603	I	31.7	Very low	36.6	Very low	139 Å²	139	133.9 Å²	133.9	71%	0.713	74%	0.735	S	S	*	*				34.2	105.7	128.6	-49.3	168.7	0	0	0	118.2	Q605	I603-Q605 HydrophobicContact CG2-CG 4.23Å
604	S	29.3	Very low	36.9	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	73%	0.725	S	S	*	*			trans	-112.1	123.5	150.6	61.3	0	0	0	0	109.5	T606	S604-T606 PolarHBondContact O-N 2.96Å
605	Q	29.9	Very low	37.1	Very low	184 Å²	184	129.7 Å²	129.7	86%	0.86	72%	0.716	S	S	*	*			trans	-74.9	113.6	-170.5	-65.1	165.1	-22.3	0	0	112.2	I603	I603-Q605 HydrophobicContact CG2-CG 4.23Å
606	T	31.4	Very low	37.5	Very low	118 Å²	118	130.5 Å²	130.5	72%	0.724	71%	0.714	S	S	*	*			trans	-132.1	94.7	164.1	44.7	0	0	0	0	110.6	S604 C608	S604-T606 PolarHBondContact O-N 2.96Å; T606-C608 PolarHBondContact O-N 3.49Å
607	T	30.8	Very low	37.9	Very low	142 Å²	142	126.4 Å²	126.4	87%	0.871	71%	0.707	S	S	*	*			trans	27.3	75.9	147.3	60.4	0	0	0	0	117.5
608	C	35.6	Very low	38.3	Very low	106 Å²	106	123.9 Å²	123.9	72%	0.716	70%	0.697	S	S	*	*			trans	-69.1	130.3	162.4	-98.7	0	0	0	0	110.5	T606	T606-C608 PolarHBondContact O-N 3.49Å
609	S	44.2	Very low	38.6	Very low	79 Å²	79	123.4 Å²	123.4	55%	0.552	69%	0.687	S	S	*	*			trans	-65.5	143	-176.7	59.8	0	0	0	0	112.3	M611 T612	S609-M611 PolarHBondContact O-N 3.17Å; S609-T612 PolarHBondContact O-N 2.95Å; S609-T612 VanDerWaalsContact O-N 3.12Å; S609-T612 PolarHBondContact O-OG1 3.38Å
610	Q	47.8	Very low	38.7	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.813	70%	0.697	S	S	*	*	H	α-helix	trans	-54.4	-21.6	-175.8	-68.3	167.5	-18.1	0	0	114.2	L614	Q610-L614 WeakPolarHBondContact O-CB 3.34Å; Q610-L614 PolarHBondContact O-N 2.7Å; Q610-L614 VanDerWaalsContact O-N 3.12Å
611	M	38.4	Very low	38.7	Very low	141 Å²	141	130.4 Å²	130.4	70%	0.695	70%	0.698	S	S	*	*	H	α-helix	trans	-67.5	-37.6	179.3	-156.6	95.1	80.8	0	0	113.2	S609 L614 L615	S609-M611 PolarHBondContact O-N 3.17Å; M611-L614 PolarHBondContact O-N 3.43Å; M611-L615 PolarHBondContact O-N 3.4Å
612	T	47	Very low	38.5	Very low	64 Å²	64	133.5 Å²	133.5	39%	0.393	70%	0.695	S	S	.	*	H	α-helix	trans	-71.6	-35.5	179.2	16.4	0	0	0	0	111.5	S609 L614 L615 N616	S609-T612 PolarHBondContact O-N 2.95Å; S609-T612 VanDerWaalsContact O-N 3.12Å; S609-T612 PolarHBondContact O-OG1 3.38Å; T612-L614 VanDerWaalsContact C-N 3.33Å; T612-L615 PolarHBondContact O-N 3.01Å; T612-N616 WeakPolarHBondContact O-CB 3.06Å; T612-N616 PolarHBondContact O-N 2.82Å
613	N	44.8	Very low	38.5	Very low	107 Å²	107	133.7 Å²	133.7	57%	0.572	70%	0.696	S	S	*	*	H	α-helix	trans	-66	-36.9	172.6	-73.5	-16.4	0	0	0	111.9	N616 S617	N613-N616 PolarHBondContact O-N 2.73Å; N613-S617 WeakPolarHBondContact O-CB 3.37Å; N613-S617 PolarHBondContact O-N 3.2Å
614	L	47.9	Very low	38.4	Very low	95 Å²	95	134.2 Å²	134.2	50%	0.497	70%	0.7	S	S	.	*	H	α-helix	trans	-68.4	-41.7	178	-156.2	147.2	0	0	0	111.5	Q610 M611 T612 S617 M618	Q610-L614 WeakPolarHBondContact O-CB 3.34Å; Q610-L614 PolarHBondContact O-N 2.7Å; Q610-L614 VanDerWaalsContact O-N 3.12Å; M611-L614 PolarHBondContact O-N 3.43Å; T612-L614 VanDerWaalsContact C-N 3.33Å; L614-S617 PolarHBondContact O-N 2.92Å; L614-S617 PolarHBondContact O-OG 2.88Å; L614-M618 HydrophobicContact CD2-CE 3.35Å; L614-M618 PolarHBondContact O-N 2.87Å
615	L	46.6	Very low	38.4	Very low	106 Å²	106	133 Å²	133	56%	0.555	70%	0.697	S	S	*	*	H	α-helix	trans	-65.6	-39.8	173.8	-73.3	169.6	0	0	0	112.9	M611 T612 S617 M618	M611-L615 PolarHBondContact O-N 3.4Å; T612-L615 PolarHBondContact O-N 3.01Å; L615-S617 VanDerWaalsContact C-N 3.29Å; L615-S617 PolarHBondContact O-N 3.22Å; L615-M618 PolarHBondContact O-N 3.47Å
616	N	49.4	Very low	38.4	Very low	101 Å²	101	131.9 Å²	131.9	54%	0.54	70%	0.697	S	S	.	*	H	α-helix	trans	-67.5	-29.9	174.1	-78.4	-18.5	0	0	0	112.4	T612 N613 M618 K619	T612-N616 WeakPolarHBondContact O-CB 3.06Å; T612-N616 PolarHBondContact O-N 2.82Å; N613-N616 PolarHBondContact O-N 2.73Å; N616-M618 VanDerWaalsContact C-N 3.3Å; N616-M618 PolarHBondContact O-N 2.84Å; N616-K619 PolarHBondContact O-N 3.43Å
617	S	46.4	Very low	38.3	Very low	88 Å²	88	131.7 Å²	131.7	62%	0.615	70%	0.701	S	S	*	*	H	α-helix	trans	-69	-25.8	174.8	81.7	0	0	0	0	113.3	N613 L614 L615	N613-S617 WeakPolarHBondContact O-CB 3.37Å; N613-S617 PolarHBondContact O-N 3.2Å; L614-S617 PolarHBondContact O-N 2.92Å; L614-S617 PolarHBondContact O-OG 2.88Å; L615-S617 VanDerWaalsContact C-N 3.29Å; L615-S617 PolarHBondContact O-N 3.22Å
618	M	43	Very low	38.1	Very low	133 Å²	133	134.8 Å²	134.8	66%	0.655	71%	0.705	S	S	*	*	H	α-helix	trans	-84.2	-17.8	178.7	-71.3	-158.1	-131.1	0	0	114.2	L614 L615 N616 R620	L614-M618 HydrophobicContact CD2-CE 3.35Å; L614-M618 PolarHBondContact O-N 2.87Å; L615-M618 PolarHBondContact O-N 3.47Å; N616-M618 VanDerWaalsContact C-N 3.3Å; N616-M618 PolarHBondContact O-N 2.84Å; M618-R620 PolarHBondContact O-N 3.07Å
619	K	37.8	Very low	37.7	Very low	158 Å²	158	135.6 Å²	135.6	69%	0.687	71%	0.711	S	S	*	*	S	Bend	trans	-73.5	98.1	170.3	-76.6	-176.2	178.1	177.4	0	108.4	N616 K621	N616-K619 PolarHBondContact O-N 3.43Å; K619-K621 PolarHBondContact O-N 2.5Å
620	R	34.8	Very low	36.9	Very low	239 Å²	239	134.4 Å²	134.4	90%	0.902	71%	0.711	S	S	*	*			trans	-49.8	105.2	172.2	-71.9	-176.4	-165.4	177.4	4.6	109	M618 Y622	M618-R620 PolarHBondContact O-N 3.07Å; R620-Y622 PolarHBondContact O-N 2.84Å
621	K	32.6	Very low	36.1	Very low	195 Å²	195	133.3 Å²	133.3	85%	0.848	71%	0.711	S	S	*	*			trans	-59.2	117.3	177.5	-75.1	179.7	174.9	179.4	0	108.7	K619 S623	K619-K621 PolarHBondContact O-N 2.5Å; K621-S623 PolarHBondContact O-N 2.75Å
622	Y	29.3	Very low	35.7	Very low	213 Å²	213	134.4 Å²	134.4	84%	0.835	72%	0.718	S	S	*	*			trans	-64.7	123.2	162.3	-98	-94.7	0	0	0	107.9	R620 N624	R620-Y622 PolarHBondContact O-N 2.84Å; Y622-N624 VanDerWaalsContact C-N 3.26Å; Y622-N624 PolarHBondContact O-N 2.92Å
623	S	29.2	Very low	34.8	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	73%	0.732	S	S	*	*			trans	-72.7	77.8	175.5	51.6	0	0	0	0	110.1	K621	K621-S623 PolarHBondContact O-N 2.75Å
624	N	29.9	Very low	33.9	Very low	150 Å²	150	140.1 Å²	140.1	80%	0.802	75%	0.748	S	S	*	*			trans	-105	106.1	155.1	-83.1	-0.8	0	0	0	107.1	Y622	Y622-N624 VanDerWaalsContact C-N 3.26Å; Y622-N624 PolarHBondContact O-N 2.92Å
625	A	30.1	Very low	32.8	Very low	88 Å²	88	141.4 Å²	141.4	73%	0.727	76%	0.759	S	S	*	*			trans	-58.5	141.6	175.4	0	0	0	0	0	110.2
626	N	29	Very low	31.7	Very low	160 Å²	160	141.9 Å²	141.9	86%	0.856	77%	0.77	S	S	*	*			trans	76.9	74.5	163.4	-54.2	-13.7	0	0	0	117.5
627	S	29.1	Very low	30.5	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	78%	0.782	S	S	*	*			trans	-159.1	118.7	135.8	57.9	0	0	0	0	109.6
628	Q	27.2	Very low	29.5	Very low	207 Å²	207	144.6 Å²	144.6	97%	0.967	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-58.8	134.1	-179.8	-75.1	167.7	-20.1	0	0	111.1
629	C	26.3	Very low	28.7	Very low	123 Å²	123	145 Å²	145	83%	0.831	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-89.2	117.9	-174.7	-170.1	0	0	0	0	109.5
630	G	28	Very low	28.2	Very low	55 Å²	55	146.3 Å²	146.3	57%	0.567	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-92.8	145.1	165.6	0	0	0	0	0	111.1
631	D	30.8	Very low	27.8	Very low	151 Å²	151	145 Å²	145	81%	0.807	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.3	135.1	-171.6	-75.2	-43.7	0	0	0	113.7	S633	D631-S633 PolarHBondContact O-N 3.18Å
632	I	31	Very low	27.6	Very low	163 Å²	163	139 Å²	139	84%	0.836	78%	0.778	S	S	*	*			trans	-84.9	104.4	-174.9	-63.7	162.2	0	0	0	109.3
633	S	27.8	Very low	27.6	Very low	100 Å²	100	138 Å²	138	70%	0.699	78%	0.778	S	S	*	*			trans	-74.5	131.9	167.4	53.9	0	0	0	0	111.1	D631 V635	D631-S633 PolarHBondContact O-N 3.18Å; S633-V635 PolarHBondContact O-N 3.46Å
634	Q	25.9	Very low	27.5	Very low	191 Å²	191	138.9 Å²	138.9	89%	0.893	77%	0.773	S	S	*	*			trans	-50.1	117.2	179	-71	169.3	-31.5	0	0	112.4	C636	Q634-C636 PolarHBondContact O-N 3.37Å
635	V	24.8	Very low	27.5	Very low	123 Å²	123	135.9 Å²	135.9	75%	0.745	76%	0.757	S	S	*	*			trans	-85.8	107.2	174.6	177.6	0	0	0	0	108.7	S633 I637	S633-V635 PolarHBondContact O-N 3.46Å; V635-I637 PolarHBondContact O-N 2.94Å
636	C	22.5	Very low	27.6	Very low	116 Å²	116	136.6 Å²	136.6	78%	0.784	75%	0.747	S	S	*	*			trans	-73.5	114	167.1	-64.4	0	0	0	0	109.5	Q634 S638	Q634-C636 PolarHBondContact O-N 3.37Å; C636-S638 PolarHBondContact O-N 3.26Å
637	I	25.7	Very low	27.9	Very low	151 Å²	151	135 Å²	135	77%	0.774	74%	0.735	S	S	*	*			trans	-77.2	88.5	178.8	-57.1	173	0	0	0	108.6	V635 N639	V635-I637 PolarHBondContact O-N 2.94Å; I637-N639 PolarHBondContact O-N 3.37Å
638	S	25.1	Very low	28.3	Very low	95 Å²	95	138.2 Å²	138.2	66%	0.664	73%	0.734	S	S	*	*			trans	-78.1	115.8	166.8	61.8	0	0	0	0	109.6	C636 K640	C636-S638 PolarHBondContact O-N 3.26Å; S638-K640 VanDerWaalsContact C-N 3.32Å; S638-K640 PolarHBondContact O-N 3.01Å
639	N	26.4	Very low	29	Very low	142 Å²	142	129.7 Å²	129.7	76%	0.759	70%	0.698	S	S	*	*			trans	-57.3	81.9	174	-80.6	-34.1	0	0	0	112.4	I637	I637-N639 PolarHBondContact O-N 3.37Å
640	K	26.5	Very low	30.3	Very low	184 Å²	184	125.3 Å²	125.3	80%	0.8	67%	0.665	S	S	*	*			trans	-92.9	115	160.8	-85.7	-176.3	177.1	175.6	0	108.3	S638 S642	S638-K640 VanDerWaalsContact C-N 3.32Å; S638-K640 PolarHBondContact O-N 3.01Å; K640-S642 VanDerWaalsContact C-N 3.28Å; K640-S642 PolarHBondContact O-N 3.5Å
641	K	26.3	Very low	32.2	Very low	211 Å²	211	124 Å²	124	92%	0.917	65%	0.652	S	S	*	*			trans	-54.9	81.8	173.7	-69.4	175	174.5	177.1	0	111.1	K643	K641-K643 PolarHBondContact O-N 2.84Å
642	S	27.6	Very low	34.6	Very low	71 Å²	71	117.5 Å²	117.5	50%	0.497	62%	0.617	S	S	.	*			trans	-84.2	103.5	164.2	50.3	0	0	0	0	108.2	K640 I644	K640-S642 VanDerWaalsContact C-N 3.28Å; K640-S642 PolarHBondContact O-N 3.5Å; S642-I644 PolarHBondContact O-N 3.43Å
643	K	30.8	Very low	37	Very low	190 Å²	190	109.8 Å²	109.8	83%	0.826	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-2.7	174.7	-88.4	-180	171.8	179.5	0	114.3	K641	K641-K643 PolarHBondContact O-N 2.84Å
644	I	27.3	Very low	39.6	Very low	132 Å²	132	106 Å²	106	68%	0.677	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-19.8	-165.7	-62.8	173.9	0	0	0	113	S642	S642-I644 PolarHBondContact O-N 3.43Å
645	D	28.8	Very low	42.7	Very low	87 Å²	87	97 Å²	97	47%	0.465	51%	0.509	S	S	.	.	S	Bend	trans	-95.7	-14.8	-172.9	-64.6	-46	0	0	0	115.6	E647	D645-E647 VanDerWaalsContact C-N 3.32Å; D645-E647 PolarHBondContact O-N 2.83Å
646	I	32.3	Very low	45.8	Very low	102 Å²	102	91.2 Å²	91.2	52%	0.523	47%	0.474	S	S	.	.	H	α-helix	trans	-65.9	-37	-179.8	-63.8	175.2	0	0	0	110.8	K648 S649 E650	I646-K648 PolarHBondContact O-N 3.44Å; I646-S649 PolarHBondContact O-OG 2.74Å; I646-E650 HydrophobicContact CG2-CG 4.15Å; I646-E650 WeakPolarHBondContact CG2-OE1 3.49Å; I646-E650 WeakPolarHBondContact O-CG 3.46Å; I646-E650 PolarHBondContact O-N 3.35Å
647	E	35.4	Very low	48.9	Very low	128 Å²	128	87 Å²	87	60%	0.598	44%	0.442	S	S	*	.	H	α-helix	trans	-69.8	-30.4	-174.9	-61.5	-164.7	146.8	0	0	113.8	K323 D645	K323-E647 IonicContact NZ-OE1 3.93Å; K323-E647 PolarHBondContact NZ-OE1 2.93Å; D645-E647 VanDerWaalsContact C-N 3.32Å; D645-E647 PolarHBondContact O-N 2.83Å
648	K	38	Very low	52	Low	180 Å²	180	83.3 Å²	83.3	78%	0.783	42%	0.42	S	S	*	.	H	α-helix	trans	-77.2	-31.7	-178.6	-72.3	-176.7	179.4	176.2	0	113.1	I646	I646-K648 PolarHBondContact O-N 3.44Å
649	S	42.1	Very low	55.3	Low	29 Å²	29	78.8 Å²	78.8	20%	0.203	39%	0.389	C	S	.	.	H	α-helix	trans	-88.3	-21.3	-177.7	66.6	0	0	0	0	113.9	I646 G651	I646-S649 PolarHBondContact O-OG 2.74Å; S649-G651 PolarHBondContact O-N 3.49Å
650	E	52.3	Low	58.5	Low	31 Å²	31	72.9 Å²	72.9	15%	0.145	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-22.1	177.6	-80.1	-179.8	163.9	0	0	113.5	L327 I646	L327-E650 HydrophobicContact CD1-CG 4.47Å; I646-E650 HydrophobicContact CG2-CG 4.15Å; I646-E650 WeakPolarHBondContact CG2-OE1 3.49Å; I646-E650 WeakPolarHBondContact O-CG 3.46Å; I646-E650 PolarHBondContact O-N 3.35Å
651	G	68.5	Low	61.5	Low	28 Å²	28	66.3 Å²	66.3	29%	0.289	33%	0.334	S	S	.	.	H	α-helix	trans	-66.6	-40.3	-175.8	0	0	0	0	0	115	S649 G653 S654 S655	S649-G651 PolarHBondContact O-N 3.49Å; G651-G653 PolarHBondContact O-N 2.88Å; G651-S654 PolarHBondContact O-N 2.89Å; G651-S655 PolarHBondContact O-N 3.43Å; G651-S655 VanDerWaalsContact O-N 3.07Å; G651-S655 PolarHBondContact O-OG 3.04Å
652	I	81.2	Confident	64.7	Low	14 Å²	14	56.2 Å²	56.2	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-36.1	-173.5	-166.7	71.2	0	0	0	112.6	K487 L491 S582 S655 L656	K487-I652 HydrophobicContact CB-CD1 3.56Å; K487-I652 WeakPolarHBondContact O-CD1 3.36Å; L491-I652 HydrophobicContact CB-CD1 4.28Å; L491-I652 HydrophobicContact CD2-CD1 4.25Å; L491-I652 HydrophobicContact CD2-CG1 3.92Å; S582-I652 WeakPolarHBondContact OG-CG2 3.37Å; I652-S655 PolarHBondContact O-N 3.5Å; I652-L656 PolarHBondContact O-N 2.81Å
653	G	81.6	Confident	67.9	Low	1 Å²	1	52.9 Å²	52.9	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-45.9	177.8	0	0	0	0	0	110.8	G651 S655 L656 F657	G651-G653 PolarHBondContact O-N 2.88Å; G653-S655 PolarHBondContact O-N 2.89Å; G653-L656 PolarHBondContact O-N 2.79Å; G653-F657 WeakPolarHBondContact O-CD2 3.33Å; G653-F657 PolarHBondContact O-N 3.04Å
654	S	83.3	Confident	70.8	Confident	20 Å²	20	46.5 Å²	46.5	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-45.8	173.6	-172.1	0	0	0	0	111.7	H324 G651 L656 F657 K658	H324-S654 WeakPolarHBondContact NE2-CB 3.42Å; H324-S654 PolarHBondContact NE2-OG 3.43Å; G651-S654 PolarHBondContact O-N 2.89Å; S654-L656 VanDerWaalsContact C-N 3.34Å; S654-L656 PolarHBondContact O-N 3.41Å; S654-F657 PolarHBondContact O-N 2.94Å; S654-K658 VanDerWaalsContact O-CG 3.3Å; S654-K658 WeakPolarHBondContact O-CG 3.34Å; S654-K658 PolarHBondContact O-N 3.46Å
655	S	89.3	Confident	73.8	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-39.8	177.7	-59.1	0	0	0	0	113	N483 D484 G651 I652 G653 K658 F659	N483-S655 PolarHBondContact O-OG 2.74Å; D484-S655 VanDerWaalsContact OD1-CB 3.26Å; D484-S655 WeakPolarHBondContact OD1-CB 3.43Å; D484-S655 PolarHBondContact OD1-OG 3.3Å; G651-S655 PolarHBondContact O-N 3.43Å; G651-S655 VanDerWaalsContact O-N 3.07Å; G651-S655 PolarHBondContact O-OG 3.04Å; I652-S655 PolarHBondContact O-N 3.5Å; G653-S655 PolarHBondContact O-N 2.89Å; S655-K658 PolarHBondContact O-N 2.99Å; S655-F659 WeakPolarHBondContact O-CB 3.43Å; S655-F659 PolarHBondContact O-N 3.45Å
656	L	90.2	Very high	76.8	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-68.3	-40	178.9	-169.1	65.9	0	0	0	111.9	L488 L491 F492 I575 L578 I579 I652 G653 S654 F659 H660	L488-L656 HydrophobicContact CD2-CB 4.06Å; L488-L656 HydrophobicContact CD2-CD1 3.66Å; L488-L656 HydrophobicContact CD2-CG 4.48Å; L491-L656 HydrophobicContact CD2-CD1 4.36Å; L491-L656 HydrophobicContact CD2-CD2 4.39Å; F492-L656 HydrophobicContact CE2-CD1 4.35Å; F492-L656 HydrophobicContact CZ-CD1 3.98Å; I575-L656 HydrophobicContact CB-CD2 4.14Å; I575-L656 HydrophobicContact CG1-CD2 4.4Å; I575-L656 HydrophobicContact CG2-CD2 3.53Å; I575-L656 HydrophobicContact CG2-CG 3.98Å; L578-L656 HydrophobicContact CB-CD2 3.76Å; L578-L656 HydrophobicContact CD1-CD1 4.18Å; L578-L656 HydrophobicContact CD1-CD2 3.98Å; I579-L656 HydrophobicContact CD1-CD2 4.48Å; I579-L656 HydrophobicContact CG1-CD2 3.95Å; I652-L656 PolarHBondContact O-N 2.81Å; G653-L656 PolarHBondContact O-N 2.79Å; S654-L656 VanDerWaalsContact C-N 3.34Å; S654-L656 PolarHBondContact O-N 3.41Å; L656-F659 PolarHBondContact O-N 2.95Å; L656-H660 WeakPolarHBondContact O-CB 3.33Å; L656-H660 PolarHBondContact O-N 2.82Å
657	F	88.2	Confident	79.5	Confident	27 Å²	27	36.3 Å²	36.3	12%	0.118	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-44.4	172.9	-79.5	-62.6	0	0	0	112.7	D326 I330 I575 M576 I579 G653 S654 F659 H660 S661	D326-F657 HydrophobicContact CB-CD1 4.34Å; D326-F657 HydrophobicContact CB-CD2 3.6Å; D326-F657 HydrophobicContact CB-CE1 4.32Å; D326-F657 HydrophobicContact CB-CE2 3.59Å; D326-F657 HydrophobicContact CB-CG 3.99Å; D326-F657 HydrophobicContact CB-CZ 3.94Å; I330-F657 HydrophobicContact CD1-CE2 3.34Å; I330-F657 HydrophobicContact CD1-CZ 3.23Å; I330-F657 HydrophobicContact CG1-CE2 4.41Å; I330-F657 HydrophobicContact CG1-CZ 3.85Å; I575-F657 HydrophobicContact CG2-CE1 4.07Å; I575-F657 HydrophobicContact CG2-CZ 4.13Å; M576-F657 HydrophobicContact CE-CE1 4.04Å; M576-F657 HydrophobicContact CE-CE2 4.26Å; M576-F657 HydrophobicContact CE-CZ 3.42Å; M576-F657 VanDerWaalsContact CE-CZ 3.42Å; I579-F657 HydrophobicContact CD1-CD2 4.45Å; I579-F657 HydrophobicContact CD1-CE2 3.78Å; I579-F657 HydrophobicContact CD1-CZ 4.34Å; G653-F657 WeakPolarHBondContact O-CD2 3.33Å; G653-F657 PolarHBondContact O-N 3.04Å; S654-F657 PolarHBondContact O-N 2.94Å; F657-F659 PolarHBondContact O-N 2.89Å; F657-H660 PolarHBondContact O-N 3Å; F657-S661 PolarHBondContact O-N 3.28Å; F657-S661 PolarHBondContact O-OG 2.69Å; F657-S661 VanDerWaalsContact O-OG 3.12Å
658	K	91	Very high	81.9	Confident	73 Å²	73	36.6 Å²	36.6	32%	0.317	19%	0.185	S	C	.	.	H	α-helix	trans	-58	-40.9	173.2	-71.2	174.7	-176.7	-179.9	0	111.4	V477 L479 D484 S654 S655 S661 F662	V477-K658 HydrophobicContact CG1-CB 4.48Å; V477-K658 WeakPolarHBondContact CG1-O 3.48Å; L479-K658 HydrophobicContact CD2-CB 3.69Å; D484-K658 IonicContact OD1-NZ 3.56Å; D484-K658 IonicContact OD2-NZ 3.57Å; S654-K658 VanDerWaalsContact O-CG 3.3Å; S654-K658 WeakPolarHBondContact O-CG 3.34Å; S654-K658 PolarHBondContact O-N 3.46Å; S655-K658 PolarHBondContact O-N 2.99Å; K658-S661 PolarHBondContact O-N 3.44Å; K658-F662 WeakPolarHBondContact O-CB 3.35Å; K658-F662 PolarHBondContact O-N 2.92Å
659	F	94.4	Very high	84.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-44.8	178.3	-179.4	-110.8	0	0	0	111.8	L479 L488 I514 F517 I518 L569 S655 L656 F657 F662 L663	L479-F659 HydrophobicContact CD1-CD2 4.08Å; L479-F659 HydrophobicContact CD2-CB 4.46Å; L488-F659 HydrophobicContact CD1-CB 3.56Å; L488-F659 HydrophobicContact CD1-CD2 4.08Å; L488-F659 HydrophobicContact CD1-CG 3.82Å; I514-F659 HydrophobicContact CG2-CE1 3.82Å; I514-F659 HydrophobicContact CG2-CZ 4.1Å; F517-F659 HydrophobicContact CD1-CE2 4.01Å; F517-F659 AromaticContact CD1-CZ 3.96Å; F517-F659 HydrophobicContact CD1-CZ 3.96Å; F517-F659 AromaticContact CE1-CE2 3.91Å; F517-F659 HydrophobicContact CE1-CE2 3.91Å; F517-F659 HydrophobicContact CE1-CZ 4.18Å; I518-F659 HydrophobicContact CD1-CE1 4.28Å; I518-F659 HydrophobicContact CD1-CE2 4.34Å; I518-F659 HydrophobicContact CD1-CZ 4Å; I518-F659 HydrophobicContact CG1-CE2 3.86Å; I518-F659 HydrophobicContact CG1-CZ 3.81Å; L569-F659 HydrophobicContact CD1-CD1 4.31Å; L569-F659 HydrophobicContact CD1-CE1 4.32Å; S655-F659 WeakPolarHBondContact O-CB 3.43Å; S655-F659 PolarHBondContact O-N 3.45Å; L656-F659 PolarHBondContact O-N 2.95Å; F657-F659 PolarHBondContact O-N 2.89Å; F659-F662 WeakPolarHBondContact O-CB 3.34Å; F659-F662 PolarHBondContact O-N 2.92Å; F659-L663 HydrophobicContact CD1-CD1 4.07Å; F659-L663 HydrophobicContact CE1-CD1 3.61Å; F659-L663 HydrophobicContact CE1-CG 4.21Å; F659-L663 HydrophobicContact CE2-CD2 4.31Å; F659-L663 HydrophobicContact CE2-CG 4.4Å; F659-L663 HydrophobicContact CZ-CD1 3.92Å; F659-L663 HydrophobicContact CZ-CD2 4.05Å; F659-L663 HydrophobicContact CZ-CG 4.13Å; F659-L663 WeakPolarHBondContact O-CG 3.46Å; F659-L663 PolarHBondContact O-N 2.91Å
660	H	92.4	Very high	86.2	Confident	19 Å²	19	33 Å²	33	9%	0.088	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-48.8	173.8	174.2	-107.9	0	0	0	112	E570 I575 L656 F657 F662 L663 Q664	E570-H660 WeakPolarHBondContact CG-NE2 3.39Å; E570-H660 IonicContact OE1-CD2 3.95Å; E570-H660 IonicContact OE1-CE1 3.44Å; E570-H660 PolarHBondContact OE1-CE1 3.39Å; E570-H660 IonicContact OE1-NE2 3.07Å; E570-H660 PolarHBondContact OE1-NE2 2.94Å; I575-H660 HydrophobicContact CD1-CB 4.03Å; L656-H660 WeakPolarHBondContact O-CB 3.33Å; L656-H660 PolarHBondContact O-N 2.82Å; F657-H660 PolarHBondContact O-N 3Å; H660-F662 VanDerWaalsContact C-N 3.27Å; H660-F662 PolarHBondContact O-N 3.12Å; H660-L663 PolarHBondContact O-N 3.32Å; H660-Q664 PolarHBondContact CE1-NE2 3Å; H660-Q664 PolarHBondContact NE2-NE2 3Å; H660-Q664 PolarHBondContact O-N 3.47Å
661	S	90.3	Very high	87.9	Confident	45 Å²	45	36.8 Å²	36.8	32%	0.315	19%	0.189	S	C	.	.	H	α-helix	trans	-63.4	-32.1	174.8	-56.8	0	0	0	0	113	F657 K658 A665	F657-S661 PolarHBondContact O-N 3.28Å; F657-S661 PolarHBondContact O-OG 2.69Å; F657-S661 VanDerWaalsContact O-OG 3.12Å; K658-S661 PolarHBondContact O-N 3.44Å; S661-A665 VanDerWaalsContact O-CB 3.28Å; S661-A665 WeakPolarHBondContact O-CB 3.26Å; S661-A665 PolarHBondContact O-N 2.91Å
662	F	94.6	Very high	88.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-42.7	175	176.4	-94	0	0	0	111.4	V477 L479 L521 K658 F659 H660 A665 L666 L711 V713	V477-F662 HydrophobicContact CB-CB 4.46Å; V477-F662 HydrophobicContact CG1-CB 3.92Å; L479-F662 HydrophobicContact CD1-CB 3.71Å; L479-F662 HydrophobicContact CD1-CD1 3.5Å; L479-F662 HydrophobicContact CD1-CD2 3.72Å; L479-F662 HydrophobicContact CD1-CE1 4Å; L479-F662 HydrophobicContact CD1-CE2 4.19Å; L479-F662 HydrophobicContact CD1-CG 3.35Å; L479-F662 HydrophobicContact CD1-CZ 4.33Å; L479-F662 HydrophobicContact CD2-CB 4.48Å; L479-F662 HydrophobicContact CG-CB 4.08Å; L479-F662 HydrophobicContact CG-CD2 4.02Å; L479-F662 HydrophobicContact CG-CG 4Å; L521-F662 HydrophobicContact CD1-CE1 4.31Å; K658-F662 WeakPolarHBondContact O-CB 3.35Å; K658-F662 PolarHBondContact O-N 2.92Å; F659-F662 WeakPolarHBondContact O-CB 3.34Å; F659-F662 PolarHBondContact O-N 2.92Å; H660-F662 VanDerWaalsContact C-N 3.27Å; H660-F662 PolarHBondContact O-N 3.12Å; F662-A665 PolarHBondContact O-N 3.48Å; F662-L666 HydrophobicContact CD1-CD1 3.95Å; F662-L666 HydrophobicContact CD1-CG 4.4Å; F662-L666 HydrophobicContact CE1-CD1 3.31Å; F662-L666 HydrophobicContact CE1-CG 4.03Å; F662-L666 HydrophobicContact CZ-CD1 3.66Å; F662-L666 HydrophobicContact CZ-CD2 4.34Å; F662-L666 HydrophobicContact CZ-CG 4.11Å; F662-L666 WeakPolarHBondContact O-CG 3.26Å; F662-L666 PolarHBondContact O-N 3.03Å; F662-L711 HydrophobicContact CE1-CD2 4.32Å; F662-L711 HydrophobicContact CE2-CD2 3.85Å; F662-L711 HydrophobicContact CE2-CG 4.06Å; F662-L711 HydrophobicContact CZ-CD2 3.43Å; F662-L711 VanDerWaalsContact CZ-CD2 3.43Å; F662-L711 HydrophobicContact CZ-CG 4.12Å; F662-V713 HydrophobicContact CD2-CG2 3.62Å; F662-V713 HydrophobicContact CE2-CG2 3.39Å; F662-V713 HydrophobicContact CZ-CG2 4.34Å
663	L	94	Very high	89.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-47.6	174.2	-66.8	173.7	0	0	0	111	F517 L562 F565 I566 L569 F659 H660 A665 L666 E667	F517-L663 HydrophobicContact CE1-CD2 3.9Å; F517-L663 HydrophobicContact CZ-CD2 4.08Å; L562-L663 HydrophobicContact CD2-CD2 3.91Å; F565-L663 HydrophobicContact CB-CD1 3.96Å; F565-L663 HydrophobicContact CD2-CD2 4.25Å; I566-L663 HydrophobicContact CD1-CB 4.06Å; I566-L663 HydrophobicContact CG1-CB 3.79Å; L569-L663 HydrophobicContact CD1-CD1 3.8Å; F659-L663 HydrophobicContact CD1-CD1 4.07Å; F659-L663 HydrophobicContact CE1-CD1 3.61Å; F659-L663 HydrophobicContact CE1-CG 4.21Å; F659-L663 HydrophobicContact CE2-CD2 4.31Å; F659-L663 HydrophobicContact CE2-CG 4.4Å; F659-L663 HydrophobicContact CZ-CD1 3.92Å; F659-L663 HydrophobicContact CZ-CD2 4.05Å; F659-L663 HydrophobicContact CZ-CG 4.13Å; F659-L663 WeakPolarHBondContact O-CG 3.46Å; F659-L663 PolarHBondContact O-N 2.91Å; H660-L663 PolarHBondContact O-N 3.32Å; L663-A665 VanDerWaalsContact C-N 3.35Å; L663-A665 PolarHBondContact O-N 3.44Å; L663-L666 PolarHBondContact O-N 3.34Å; L663-L666 VanDerWaalsContact O-N 3.16Å; L663-E667 PolarHBondContact O-N 3.17Å
664	Q	90.9	Very high	90.1	Very high	56 Å²	56	35.9 Å²	35.9	26%	0.262	18%	0.175	S	C	.	.	H	α-helix	trans	-58.5	-46.8	175.3	-69.9	179.8	-28	0	0	111	I566 E570 H660 L666 E667 F668	I566-Q664 HydrophobicContact CD1-CG 4.05Å; I566-Q664 HydrophobicContact CG1-CG 4.32Å; I566-Q664 HydrophobicContact CG2-CG 4.27Å; E570-Q664 PolarHBondContact OE1-NE2 3.33Å; H660-Q664 PolarHBondContact CE1-NE2 3Å; H660-Q664 PolarHBondContact NE2-NE2 3Å; H660-Q664 PolarHBondContact O-N 3.47Å; Q664-L666 PolarHBondContact O-N 3.33Å; Q664-E667 PolarHBondContact O-N 2.85Å; Q664-E667 VanDerWaalsContact O-N 3.09Å; Q664-F668 HydrophobicContact CB-CD2 4.34Å; Q664-F668 HydrophobicContact CB-CE2 4.41Å; Q664-F668 WeakPolarHBondContact O-CD2 3.22Å; Q664-F668 PolarHBondContact O-N 3.26Å
665	A	90.9	Very high	90.6	Very high	10 Å²	10	34.9 Å²	34.9	8%	0.083	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-32.1	178.6	0	0	0	0	0	113.1	V477 S661 F662 L663 C669 V713 F715	V477-A665 HydrophobicContact CG2-CB 4.41Å; S661-A665 VanDerWaalsContact O-CB 3.28Å; S661-A665 WeakPolarHBondContact O-CB 3.26Å; S661-A665 PolarHBondContact O-N 2.91Å; F662-A665 PolarHBondContact O-N 3.48Å; L663-A665 VanDerWaalsContact C-N 3.35Å; L663-A665 PolarHBondContact O-N 3.44Å; A665-C669 VanDerWaalsContact O-CB 3.29Å; A665-C669 WeakPolarHBondContact O-CB 3.27Å; A665-C669 PolarHBondContact O-N 2.93Å; A665-V713 HydrophobicContact CB-CG1 4.44Å; A665-F715 HydrophobicContact CB-CZ 4.34Å
666	L	92.1	Very high	90.8	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-77.2	-33.7	173.5	-69.8	-176.9	0	0	0	112.9	F517 V548 F552 L562 F662 L663 Q664 C669 I675 V713	F517-L666 HydrophobicContact CZ-CD1 4.42Å; V548-L666 HydrophobicContact CG1-CD2 3.93Å; V548-L666 HydrophobicContact CG2-CD2 4.32Å; F552-L666 HydrophobicContact CZ-CD1 4.2Å; L562-L666 HydrophobicContact CD1-CB 3.4Å; L562-L666 VanDerWaalsContact CD1-CB 3.4Å; L562-L666 HydrophobicContact CD1-CD1 4.07Å; L562-L666 HydrophobicContact CD1-CG 4.41Å; F662-L666 HydrophobicContact CD1-CD1 3.95Å; F662-L666 HydrophobicContact CD1-CG 4.4Å; F662-L666 HydrophobicContact CE1-CD1 3.31Å; F662-L666 HydrophobicContact CE1-CG 4.03Å; F662-L666 HydrophobicContact CZ-CD1 3.66Å; F662-L666 HydrophobicContact CZ-CD2 4.34Å; F662-L666 HydrophobicContact CZ-CG 4.11Å; F662-L666 WeakPolarHBondContact O-CG 3.26Å; F662-L666 PolarHBondContact O-N 3.03Å; L663-L666 PolarHBondContact O-N 3.34Å; L663-L666 VanDerWaalsContact O-N 3.16Å; Q664-L666 PolarHBondContact O-N 3.33Å; L666-C669 WeakPolarHBondContact O-CB 3.43Å; L666-C669 PolarHBondContact O-N 3.12Å; L666-C669 PolarHBondContact O-SG 2.81Å; L666-I675 HydrophobicContact CD2-CD1 3.73Å; L666-V713 HydrophobicContact CD2-CG2 4.08Å
667	E	89.7	Confident	91	Very high	92 Å²	92	34.8 Å²	34.8	43%	0.43	17%	0.168	S	C	.	.	H	α-helix	trans	-69.9	-43	176.9	-175.4	179.7	-147.9	0	0	111.6	G563 I566 L663 Q664 C669	G563-E667 VanDerWaalsContact CA-OE1 3.31Å; G563-E667 WeakPolarHBondContact CA-OE1 3.12Å; I566-E667 HydrophobicContact CD1-CB 3.98Å; I566-E667 HydrophobicContact CD1-CG 4.49Å; I566-E667 WeakPolarHBondContact CD1-OE2 3.23Å; L663-E667 PolarHBondContact O-N 3.17Å; Q664-E667 PolarHBondContact O-N 2.85Å; Q664-E667 VanDerWaalsContact O-N 3.09Å; E667-C669 PolarHBondContact O-N 3.19Å
668	F	84.7	Confident	91	Very high	133 Å²	133	35.9 Å²	35.9	58%	0.583	17%	0.173	S	C	*	.	S	Bend	trans	-79.1	0.6	176.6	-70.2	-70.4	0	0	0	113.6	Q664	Q664-F668 HydrophobicContact CB-CD2 4.34Å; Q664-F668 HydrophobicContact CB-CE2 4.41Å; Q664-F668 WeakPolarHBondContact O-CD2 3.22Å; Q664-F668 PolarHBondContact O-N 3.26Å
669	C	86.7	Confident	90.7	Very high	26 Å²	26	34.7 Å²	34.7	18%	0.176	17%	0.173	C	C	.	.			trans	-73.5	150.9	-174.5	86.7	0	0	0	0	112.3	V548 A665 L666 E667 A673	V548-C669 VanDerWaalsContact CG1-SG 3.57Å; V548-C669 HydrophobicContact CG2-CB 4.17Å; A665-C669 VanDerWaalsContact O-CB 3.29Å; A665-C669 WeakPolarHBondContact O-CB 3.27Å; A665-C669 PolarHBondContact O-N 2.93Å; L666-C669 WeakPolarHBondContact O-CB 3.43Å; L666-C669 PolarHBondContact O-N 3.12Å; L666-C669 PolarHBondContact O-SG 2.81Å; E667-C669 PolarHBondContact O-N 3.19Å; C669-A673 HydrophobicContact CB-CB 3.63Å
670	E	84.1	Confident	89.9	Confident	108 Å²	108	37 Å²	37	51%	0.505	19%	0.187	S	C	.	.			trans	-137.7	-171.3	-176.9	-72.9	-89.9	175.4	0	0	110	D672 A673 R720	E670-D672 PolarHBondContact O-N 3.33Å; E670-A673 WeakPolarHBondContact O-CB 3.19Å; E670-A673 PolarHBondContact O-N 3.5Å; E670-R720 VanDerWaalsContact CB-CZ 3.5Å; E670-R720 IonicContact OE1-NH2 3.56Å; E670-R720 IonicContact OE2-CZ 3.43Å; E670-R720 IonicContact OE2-NH1 3.75Å; E670-R720 IonicContact OE2-NH2 2.75Å; E670-R720 PolarHBondContact OE2-NH2 3.44Å
671	E	87.4	Confident	88.6	Confident	111 Å²	111	45.1 Å²	45.1	52%	0.519	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.1	-177.9	-171.5	-178.1	168.2	0	0	113.4	A673 R674 K936 H937	E671-A673 VanDerWaalsContact C-N 3.34Å; E671-R674 PolarHBondContact O-NH1 3.44Å; E671-K936 IonicContact OE1-NZ 2.59Å; E671-K936 PolarHBondContact OE1-NZ 2.82Å; E671-H937 IonicContact OE1-NE2 2.63Å; E671-H937 IonicContact OE2-NE2 2.78Å
672	D	89.8	Confident	86.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.7	179.1	69.4	-68.9	0	0	0	114.2	E670 L716 N717 R720 Y721 Y933	E670-D672 PolarHBondContact O-N 3.33Å; D672-L716 HydrophobicContact CB-CB 4.4Å; D672-L716 WeakPolarHBondContact O-CB 3.29Å; D672-L716 VanDerWaalsContact O-CG 3.26Å; D672-L716 WeakPolarHBondContact O-CG 3.17Å; D672-L716 PolarHBondContact O-N 2.77Å; D672-N717 HydrophobicContact CB-CB 3.97Å; D672-N717 PolarHBondContact OD2-N 3.04Å; D672-R720 WeakPolarHBondContact OD1-CD 3.17Å; D672-R720 IonicContact OD1-CZ 3.08Å; D672-R720 IonicContact OD1-NE 2.64Å; D672-R720 IonicContact OD1-NH1 2.79Å; D672-R720 PolarHBondContact OD1-NH1 2.87Å; D672-Y721 PolarHBondContact OD1-OH 3.03Å; D672-Y721 WeakPolarHBondContact OD2-CE2 3.46Å; D672-Y721 PolarHBondContact OD2-OH 2.91Å; D672-Y933 HydrophobicContact CB-CE1 4.37Å; D672-Y933 HydrophobicContact CB-CE2 3.72Å; D672-Y933 WeakPolarHBondContact CB-OH 3.29Å
673	A	93.2	Very high	84	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	139.8	178.7	0	0	0	0	0	111.5	V548 C669 E670 E671 V714 F715	V548-A673 HydrophobicContact CG2-CB 3.97Å; C669-A673 HydrophobicContact CB-CB 3.63Å; E670-A673 WeakPolarHBondContact O-CB 3.19Å; E670-A673 PolarHBondContact O-N 3.5Å; E671-A673 VanDerWaalsContact C-N 3.34Å; A673-V714 WeakPolarHBondContact CA-O 3.37Å; A673-F715 HydrophobicContact CB-CD1 4.08Å; A673-F715 HydrophobicContact CB-CE1 4Å
674	R	94.6	Very high	81.3	Confident	22 Å²	22	57.3 Å²	57.3	8%	0.083	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.5	175.6	-67.4	-65.1	-179.7	-82.5	-2.6	110.6	I545 K546 E671 V713 V714 L716 E929	I545-R674 HydrophobicContact CG2-CB 4.05Å; I545-R674 HydrophobicContact CG2-CG 4.15Å; K546-R674 WeakPolarHBondContact O-CA 3.37Å; E671-R674 PolarHBondContact O-NH1 3.44Å; R674-V713 WeakPolarHBondContact O-CA 3.49Å; R674-V714 PolarHBondContact N-O 3.12Å; R674-V714 PolarHBondContact O-N 2.92Å; R674-L716 HydrophobicContact CG-CD1 3.7Å; R674-L716 HydrophobicContact CG-CD2 4.37Å; R674-L716 HydrophobicContact CG-CG 4Å; R674-E929 HydrophobicContact CG-CG 4.14Å; R674-E929 IonicContact CZ-OE1 2.89Å; R674-E929 IonicContact NE-OE1 3.34Å; R674-E929 PolarHBondContact NE-OE1 3.46Å; R674-E929 IonicContact NH2-OE1 3.6Å; R674-E929 PolarHBondContact NH2-OE1 3.44Å
675	I	94.7	Very high	78.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.7	170.3	-57.7	-58	0	0	0	108	I545 K546 V548 L551 L666 I677 L711 V713	I545-I675 CarbonylContact C-O 3.53Å; I545-I675 WeakPolarHBondContact CA-O 3.23Å; K546-I675 PolarHBondContact N-O 2.87Å; K546-I675 PolarHBondContact O-N 2.91Å; V548-I675 HydrophobicContact CG2-CD1 4.02Å; V548-I675 HydrophobicContact CG2-CG1 3.97Å; L551-I675 HydrophobicContact CB-CG1 4.28Å; L551-I675 HydrophobicContact CD1-CG2 4.43Å; L551-I675 HydrophobicContact CD2-CD1 4.33Å; L551-I675 HydrophobicContact CD2-CG1 4.04Å; L551-I675 HydrophobicContact CD2-CG2 4.16Å; L666-I675 HydrophobicContact CD2-CD1 3.73Å; I675-I677 HydrophobicContact CG2-CG1 4.4Å; I675-L711 HydrophobicContact CG2-CD1 3.24Å; I675-L711 HydrophobicContact CG2-CG 4.2Å; I675-V713 HydrophobicContact CD1-CB 4.34Å; I675-V713 HydrophobicContact CD1-CG1 4.28Å; I675-V713 HydrophobicContact CD1-CG2 3.72Å
676	I	93.4	Very high	75.6	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.7	-179.5	-61.1	163.8	0	0	0	108.1	V543 I544 I545 R712 V714 I926	V543-I676 HydrophobicContact CG1-CG2 3.5Å; I544-I676 WeakPolarHBondContact O-CA 3.23Å; I545-I676 HydrophobicContact CD1-CG1 4.42Å; I545-I676 HydrophobicContact CG1-CG1 4.18Å; I676-R712 VanDerWaalsContact CG2-NH2 3.28Å; I676-R712 PolarHBondContact N-O 3.32Å; I676-R712 PolarHBondContact O-N 3.14Å; I676-V714 HydrophobicContact CD1-CB 3.93Å; I676-V714 HydrophobicContact CD1-CG2 3.66Å; I676-I926 HydrophobicContact CD1-CD1 3.69Å; I676-I926 HydrophobicContact CD1-CG1 3.64Å; I676-I926 HydrophobicContact CD1-CG2 4.22Å; I676-I926 HydrophobicContact CG1-CG1 4.49Å
677	I	93.2	Very high	72.6	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.3	177.2	-55.7	163	0	0	0	107.2	Y524 L525 T528 V543 I544 I675 L709 C710 L711	Y524-I677 HydrophobicContact CE1-CD1 3.61Å; L525-I677 HydrophobicContact CD2-CD1 4.41Å; L525-I677 HydrophobicContact CD2-CG1 4.3Å; L525-I677 HydrophobicContact CD2-CG2 3.84Å; T528-I677 HydrophobicContact CG2-CG2 4.22Å; V543-I677 WeakPolarHBondContact CA-O 3.29Å; I544-I677 HydrophobicContact CB-CB 4.31Å; I544-I677 PolarHBondContact N-O 3.01Å; I544-I677 PolarHBondContact O-N 3.27Å; I675-I677 HydrophobicContact CG2-CG1 4.4Å; I677-L709 HydrophobicContact CG2-CD1 4.24Å; I677-L709 HydrophobicContact CG2-CD2 4.15Å; I677-C710 WeakPolarHBondContact CA-O 3.49Å; I677-L711 HydrophobicContact CD1-CD1 4.33Å; I677-L711 HydrophobicContact CG1-CD1 3.68Å
678	E	88.7	Confident	69.9	Low	50 Å²	50	74.5 Å²	74.5	23%	0.234	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.1	-177.4	67.3	-172.4	171	0	0	111.9	V543 C710 R712	V543-E678 HydrophobicContact CG1-CB 4.39Å; V543-E678 HydrophobicContact CG2-CB 3.97Å; E678-C710 WeakPolarHBondContact CG-SG 3.35Å; E678-C710 PolarHBondContact N-O 3.15Å; E678-C710 PolarHBondContact O-N 3.3Å; E678-R712 IonicContact OE1-CZ 3.98Å; E678-R712 IonicContact OE1-NE 3.9Å; E678-R712 PolarHBondContact OE1-NE 3.16Å; E678-R712 VanDerWaalsContact OE1-NE 3.14Å; E678-R712 IonicContact OE1-NH2 3.82Å; E678-R712 PolarHBondContact OE1-NH2 3.08Å; E678-R712 IonicContact OE2-NH2 2.68Å; E678-R712 PolarHBondContact OE2-NH2 3.12Å
679	P	85.4	Confident	67.1	Low	47 Å²	47	73.9 Å²	73.9	31%	0.305	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.8	173.8	28.5	-33.4	0	0	0	111.4	N542 K681 D708	N542-P679 WeakPolarHBondContact O-CD 3.34Å; P679-K681 PolarHBondContact O-N 3.25Å; P679-D708 WeakPolarHBondContact CA-O 3.48Å
680	V	77.6	Confident	64.3	Low	48 Å²	48	77.8 Å²	77.8	29%	0.291	41%	0.413	S	S	.	.			trans	-75.6	118.3	178.3	-178	0	0	0	0	109.5	N682 D708 C710	V680-N682 PolarHBondContact O-N 3.44Å; V680-N682 VanDerWaalsContact O-N 3.09Å; V680-D708 HydrophobicContact CB-CB 4.29Å; V680-D708 HydrophobicContact CG2-CB 4.21Å; V680-D708 PolarHBondContact N-O 2.97Å; V680-C710 HydrophobicContact CG2-CB 3.88Å
681	K	64	Low	61.7	Low	190 Å²	190	78.5 Å²	78.5	83%	0.826	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.6	-175.1	-66	-174.3	178	-176.2	0	115.3	P679	P679-K681 PolarHBondContact O-N 3.25Å
682	N	51.5	Low	58.9	Low	141 Å²	141	78.4 Å²	78.4	75%	0.754	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.8	52.1	-173.5	-68.4	-11.7	0	0	0	112.9	V680 T684	V680-N682 PolarHBondContact O-N 3.44Å; V680-N682 VanDerWaalsContact O-N 3.09Å; N682-T684 PolarHBondContact O-N 2.99Å; N682-T684 VanDerWaalsContact O-N 3.13Å
683	S	38.4	Very low	56	Low	53 Å²	53	83.1 Å²	83.1	37%	0.371	47%	0.474	S	S	.	.			trans	-66	114.6	176.2	39.5	0	0	0	0	111	S706	S683-S706 WeakPolarHBondContact CB-O 3.46Å; S683-S706 PolarHBondContact OG-O 3.38Å
684	T	35.6	Very low	53	Low	108 Å²	108	90 Å²	90	66%	0.663	51%	0.511	S	S	*	.			trans	-71.7	128.9	167.6	36.2	0	0	0	0	108.5	N682 L686	N682-T684 PolarHBondContact O-N 2.99Å; N682-T684 VanDerWaalsContact O-N 3.13Å; T684-L686 PolarHBondContact O-N 3.05Å; T684-L686 VanDerWaalsContact O-N 3.12Å
685	K	29.8	Very low	50	Low	178 Å²	178	97.4 Å²	97.4	77%	0.774	55%	0.551	S	S	*	*			trans	-53.9	115.5	178	-72.7	-177.7	174.9	-177.5	0	110.1
686	L	33.4	Very low	46.8	Very low	79 Å²	79	102.6 Å²	102.6	41%	0.414	59%	0.588	S	S	.	*			trans	-109.1	108.9	178	-134.7	155.9	0	0	0	108.4	V482 T684 L688	V482-L686 HydrophobicContact CG1-CD1 3.91Å; T684-L686 PolarHBondContact O-N 3.05Å; T684-L686 VanDerWaalsContact O-N 3.12Å; L686-L688 VanDerWaalsContact C-N 3.32Å; L686-L688 HydrophobicContact CD2-CD1 3.97Å; L686-L688 PolarHBondContact O-N 3.12Å
687	N	28.7	Very low	43.6	Very low	153 Å²	153	107.7 Å²	107.7	82%	0.818	62%	0.624	S	S	*	*			trans	-73.7	82.8	176.6	-71.3	-19.5	0	0	0	109.7	S689	N687-S689 PolarHBondContact O-N 2.85Å
688	L	32.3	Very low	40.4	Very low	114 Å²	114	112.8 Å²	112.8	60%	0.597	66%	0.659	S	S	*	*			trans	-82.4	94.1	171.4	-137.8	80.9	0	0	0	108.7	L686 T690	L686-L688 VanDerWaalsContact C-N 3.32Å; L686-L688 HydrophobicContact CD2-CD1 3.97Å; L686-L688 PolarHBondContact O-N 3.12Å; L688-T690 HydrophobicContact CD2-CG2 4.31Å; L688-T690 PolarHBondContact O-N 3.23Å; L688-T690 VanDerWaalsContact O-N 3.12Å
689	S	26.6	Very low	37.5	Very low	120 Å²	120	116.1 Å²	116.1	84%	0.839	69%	0.688	S	S	*	*			trans	-80.1	83.7	170.7	45.3	0	0	0	0	109.3	N687 S691	N687-S689 PolarHBondContact O-N 2.85Å; S689-S691 PolarHBondContact O-N 3.29Å
690	T	29	Very low	34.7	Very low	109 Å²	109	118.7 Å²	118.7	67%	0.669	71%	0.707	S	S	*	*			trans	-77.5	111.2	167.2	40.9	0	0	0	0	109.3	L688 S692	L688-T690 HydrophobicContact CD2-CG2 4.31Å; L688-T690 PolarHBondContact O-N 3.23Å; L688-T690 VanDerWaalsContact O-N 3.12Å; T690-S692 PolarHBondContact O-N 3.4Å
691	S	28	Very low	32.3	Very low	123 Å²	123	124.7 Å²	124.7	86%	0.86	74%	0.738	S	S	*	*			trans	-67	89.3	168.8	54.5	0	0	0	0	109.9	S689	S689-S691 PolarHBondContact O-N 3.29Å
692	S	29	Very low	30.7	Very low	108 Å²	108	122.7 Å²	122.7	76%	0.755	74%	0.735	S	S	*	*			trans	-101.5	96.3	162.5	56.3	0	0	0	0	107.8	T690	T690-S692 PolarHBondContact O-N 3.4Å
693	S	28.4	Very low	29.7	Very low	99 Å²	99	121 Å²	121	69%	0.692	74%	0.741	S	S	*	*			trans	-68.7	140.9	163.5	50.3	0	0	0	0	109
694	D	30	Very low	29.8	Very low	146 Å²	146	124.9 Å²	124.9	78%	0.781	76%	0.758	S	S	*	*			trans	78.4	85.5	161.9	-46.6	-29.9	0	0	0	116.3
695	L	31.9	Very low	30.1	Very low	177 Å²	177	125.8 Å²	125.8	93%	0.927	76%	0.759	S	S	*	*				-171	118.5	117.9	-92.1	158.8	0	0	0	109.5
696	S	28	Very low	31.2	Very low	109 Å²	109	120.1 Å²	120.1	76%	0.762	74%	0.741	S	S	*	*			trans	-71.2	128.5	-178.1	50.9	0	0	0	0	113.1
697	S	27.3	Very low	32.8	Very low	110 Å²	110	120.4 Å²	120.4	77%	0.769	74%	0.741	S	S	*	*				155	140.2	121.2	55.6	0	0	0	0	114.2
698	S	25.9	Very low	35.4	Very low	107 Å²	107	113.5 Å²	113.5	75%	0.748	70%	0.704	S	S	*	*			trans	69.2	86.2	166.1	46	0	0	0	0	120.3
699	S	26.2	Very low	38.2	Very low	119 Å²	119	108.1 Å²	108.1	83%	0.832	68%	0.675	S	S	*	*			trans	13.9	115	130.2	58.3	0	0	0	0	120.2
700	S	26.6	Very low	41.2	Very low	102 Å²	102	103.1 Å²	103.1	71%	0.713	64%	0.64	S	S	*	*			trans	-155.7	105.8	131.2	60.7	0	0	0	0	109.8	L702	S700-L702 PolarHBondContact O-N 3.11Å
701	N	28.5	Very low	44.3	Very low	173 Å²	173	97.9 Å²	97.9	93%	0.925	61%	0.608	S	S	*	*			trans	-66.1	96.1	170.6	-73.6	-27.6	0	0	0	109.3
702	L	28.9	Very low	47.4	Very low	148 Å²	148	94 Å²	94	78%	0.775	58%	0.575	S	S	*	*			trans	-109.2	111	158.9	-73.5	171.1	0	0	0	106.7	S700 D704	S700-L702 PolarHBondContact O-N 3.11Å; L702-D704 VanDerWaalsContact C-N 3.27Å; L702-D704 PolarHBondContact O-N 3.05Å
703	A	31.7	Very low	50.5	Low	107 Å²	107	88.8 Å²	88.8	88%	0.884	54%	0.539	S	S	*	.			trans	-63.8	91.4	172.5	0	0	0	0	0	108.1	D705	A703-D705 PolarHBondContact O-N 3.18Å
704	D	39.1	Very low	53.6	Low	134 Å²	134	85 Å²	85	72%	0.717	51%	0.511	S	S	*	.			trans	-73	111.6	-171.3	-142.8	6.9	0	0	0	109.5	L702 S706	L702-D704 VanDerWaalsContact C-N 3.27Å; L702-D704 PolarHBondContact O-N 3.05Å; D704-S706 PolarHBondContact O-N 3.25Å
705	D	43.5	Very low	56.6	Low	127 Å²	127	78.3 Å²	78.3	68%	0.679	48%	0.475	S	S	*	.			trans	-61.3	92	163.1	-90.3	-24.9	0	0	0	106.8	A703 Q707	A703-D705 PolarHBondContact O-N 3.18Å; D705-Q707 VanDerWaalsContact C-N 3.3Å; D705-Q707 PolarHBondContact O-N 2.82Å
706	S	52.5	Low	59.4	Low	59 Å²	59	70 Å²	70	41%	0.413	43%	0.432	S	S	.	.			trans	-63.3	92.6	-179	62.7	0	0	0	0	109.5	S683 D704 D708	S683-S706 WeakPolarHBondContact CB-O 3.46Å; S683-S706 PolarHBondContact OG-O 3.38Å; D704-S706 PolarHBondContact O-N 3.25Å; S706-D708 PolarHBondContact O-N 3.05Å
707	Q	67.2	Low	62.5	Low	85 Å²	85	65.5 Å²	65.5	40%	0.397	40%	0.399	S	S	.	.			trans	-68.9	114.2	170.5	-71.5	-176.9	-7.2	0	0	107.7	L529 D705	L529-Q707 HydrophobicContact CD1-CB 4.35Å; D705-Q707 VanDerWaalsContact C-N 3.3Å; D705-Q707 PolarHBondContact O-N 2.82Å
708	D	82.8	Confident	65.5	Low	8 Å²	8	60.3 Å²	60.3	4%	0.043	36%	0.363	C	S	.	.			trans	-86.7	146.4	173.5	-172.4	26.7	0	0	0	109.5	S480 L481 V482 P679 V680 S706	S480-D708 PolarHBondContact OG-OD2 3.35Å; L481-D708 WeakPolarHBondContact CB-OD1 3.49Å; V482-D708 HydrophobicContact CG2-CB 4.41Å; V482-D708 WeakPolarHBondContact CG2-OD1 3.42Å; V482-D708 PolarHBondContact N-OD1 3.43Å; P679-D708 WeakPolarHBondContact CA-O 3.48Å; V680-D708 HydrophobicContact CB-CB 4.29Å; V680-D708 HydrophobicContact CG2-CB 4.21Å; V680-D708 PolarHBondContact N-O 2.97Å; S706-D708 PolarHBondContact O-N 3.05Å
709	L	90.1	Very high	68.6	Low	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.2	172.9	-77.7	176	0	0	0	109.9	L481 L525 L529 I532 I677	L481-L709 WeakPolarHBondContact CB-O 3.3Å; L481-L709 PolarHBondContact N-O 3.27Å; L525-L709 HydrophobicContact CB-CD1 4.47Å; L525-L709 HydrophobicContact CD2-CD1 4.48Å; L525-L709 VanDerWaalsContact O-CD1 3.25Å; L525-L709 WeakPolarHBondContact O-CD1 3.22Å; L529-L709 HydrophobicContact CB-CD1 3.59Å; L529-L709 HydrophobicContact CB-CG 4.32Å; L529-L709 HydrophobicContact CD1-CD1 4.19Å; L529-L709 HydrophobicContact CD1-CD2 4.47Å; L529-L709 HydrophobicContact CD1-CG 4.03Å; L529-L709 HydrophobicContact CG-CD1 4.39Å; I532-L709 HydrophobicContact CD1-CD2 4.06Å; I677-L709 HydrophobicContact CG2-CD1 4.24Å; I677-L709 HydrophobicContact CG2-CD2 4.15Å
710	C	90.8	Very high	71.5	Confident	15 Å²	15	53 Å²	53	10%	0.101	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146	165.6	69.8	0	0	0	0	111.7	L479 I677 E678 V680	L479-C710 CarbonylContact O-C 3.48Å; L479-C710 VanDerWaalsContact O-CA 3.27Å; L479-C710 WeakPolarHBondContact O-CA 3.44Å; I677-C710 WeakPolarHBondContact CA-O 3.49Å; E678-C710 WeakPolarHBondContact CG-SG 3.35Å; E678-C710 PolarHBondContact N-O 3.15Å; E678-C710 PolarHBondContact O-N 3.3Å; V680-C710 HydrophobicContact CG2-CB 3.88Å
711	L	93.4	Very high	74.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.8	174.7	-176	70.5	0	0	0	107.8	S478 L479 L521 L525 L551 F662 I675 I677	S478-L711 CarbonylContact C-O 3.53Å; S478-L711 WeakPolarHBondContact CA-O 3.44Å; L479-L711 PolarHBondContact N-O 3.14Å; L479-L711 PolarHBondContact O-N 3.14Å; L521-L711 HydrophobicContact CD1-CD2 4.44Å; L521-L711 HydrophobicContact CD2-CD2 4.19Å; L525-L711 HydrophobicContact CD1-CB 4.35Å; L525-L711 HydrophobicContact CD2-CD1 4.41Å; L551-L711 HydrophobicContact CD1-CD1 4.45Å; F662-L711 HydrophobicContact CE1-CD2 4.32Å; F662-L711 HydrophobicContact CE2-CD2 3.85Å; F662-L711 HydrophobicContact CE2-CG 4.06Å; F662-L711 HydrophobicContact CZ-CD2 3.43Å; F662-L711 VanDerWaalsContact CZ-CD2 3.43Å; F662-L711 HydrophobicContact CZ-CG 4.12Å; I675-L711 HydrophobicContact CG2-CD1 3.24Å; I675-L711 HydrophobicContact CG2-CG 4.2Å; I677-L711 HydrophobicContact CD1-CD1 4.33Å; I677-L711 HydrophobicContact CG1-CD1 3.68Å
712	R	93.6	Very high	77.6	Confident	40 Å²	40	42.6 Å²	42.6	15%	0.151	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.2	-173.6	-178.9	167.8	42.4	71.1	-1.4	111.5	V477 I676 E678 V714	V477-R712 CarbonylContact O-C 3.59Å; V477-R712 VanDerWaalsContact O-CA 3.3Å; V477-R712 WeakPolarHBondContact O-CA 3.3Å; I676-R712 VanDerWaalsContact CG2-NH2 3.28Å; I676-R712 PolarHBondContact N-O 3.32Å; I676-R712 PolarHBondContact O-N 3.14Å; E678-R712 IonicContact OE1-CZ 3.98Å; E678-R712 IonicContact OE1-NE 3.9Å; E678-R712 PolarHBondContact OE1-NE 3.16Å; E678-R712 VanDerWaalsContact OE1-NE 3.14Å; E678-R712 IonicContact OE1-NH2 3.82Å; E678-R712 PolarHBondContact OE1-NH2 3.08Å; E678-R712 IonicContact OE2-NH2 2.68Å; E678-R712 PolarHBondContact OE2-NH2 3.12Å; R712-V714 HydrophobicContact CG-CG2 4.03Å
713	V	94	Very high	80.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.7	172.4	-168.7	0	0	0	0	108.6	S476 V477 F662 A665 L666 R674 I675 F715	S476-V713 VanDerWaalsContact CA-O 3.29Å; S476-V713 WeakPolarHBondContact CA-O 3.35Å; S476-V713 VanDerWaalsContact CB-O 3.24Å; S476-V713 WeakPolarHBondContact CB-O 3.07Å; S476-V713 PolarHBondContact OG-O 3.48Å; V477-V713 PolarHBondContact O-N 3.03Å; F662-V713 HydrophobicContact CD2-CG2 3.62Å; F662-V713 HydrophobicContact CE2-CG2 3.39Å; F662-V713 HydrophobicContact CZ-CG2 4.34Å; A665-V713 HydrophobicContact CB-CG1 4.44Å; L666-V713 HydrophobicContact CD2-CG2 4.08Å; R674-V713 WeakPolarHBondContact O-CA 3.49Å; I675-V713 HydrophobicContact CD1-CB 4.34Å; I675-V713 HydrophobicContact CD1-CG1 4.28Å; I675-V713 HydrophobicContact CD1-CG2 3.72Å; V713-F715 HydrophobicContact CG1-CE2 4.12Å; V713-F715 HydrophobicContact CG1-CZ 4.03Å
714	V	93	Very high	83.5	Confident	20 Å²	20	39.1 Å²	39.1	12%	0.121	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.2	175.6	178.7	0	0	0	0	110.1	A673 R674 I676 R712	A673-V714 WeakPolarHBondContact CA-O 3.37Å; R674-V714 PolarHBondContact N-O 3.12Å; R674-V714 PolarHBondContact O-N 2.92Å; I676-V714 HydrophobicContact CD1-CB 3.93Å; I676-V714 HydrophobicContact CD1-CG2 3.66Å; R712-V714 HydrophobicContact CG-CG2 4.03Å
715	F	92.8	Very high	86.1	Confident	4 Å²	4	33 Å²	33	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.7	-178.8	-60.6	-86.9	0	0	0	110.5	M475 A665 A673 V713 Y721	M475-F715 HydrophobicContact CB-CD2 3.67Å; M475-F715 HydrophobicContact CB-CE2 3.55Å; M475-F715 HydrophobicContact CB-CZ 4.41Å; M475-F715 HydrophobicContact CE-CE1 4.32Å; M475-F715 HydrophobicContact CE-CE2 4.34Å; M475-F715 HydrophobicContact CE-CZ 4.18Å; A665-F715 HydrophobicContact CB-CZ 4.34Å; A673-F715 HydrophobicContact CB-CD1 4.08Å; A673-F715 HydrophobicContact CB-CE1 4Å; V713-F715 HydrophobicContact CG1-CE2 4.12Å; V713-F715 HydrophobicContact CG1-CZ 4.03Å; F715-Y721 HydrophobicContact CB-CE2 4.19Å; F715-Y721 AromaticContact CD1-CE2 3.69Å; F715-Y721 HydrophobicContact CD1-CE2 3.69Å; F715-Y721 AromaticContact CD1-CZ 3.56Å; F715-Y721 VanDerWaalsContact CD1-OH 3.23Å; F715-Y721 WeakPolarHBondContact CD1-OH 3.41Å; F715-Y721 HydrophobicContact CE1-CE1 4.46Å; F715-Y721 HydrophobicContact CE1-CE2 4.4Å; F715-Y721 AromaticContact CE1-CZ 3.87Å; F715-Y721 HydrophobicContact CG-CE2 4.14Å
716	L	92.1	Very high	88.6	Confident	4 Å²	4	27 Å²	27	2%	0.021	13%	0.131	C	C	.	.	S	Bend	trans	-79.9	-28.2	-176.5	-60.2	178.3	0	0	0	112.8	D672 R674 P718 E929 K930 Y933	D672-L716 HydrophobicContact CB-CB 4.4Å; D672-L716 WeakPolarHBondContact O-CB 3.29Å; D672-L716 VanDerWaalsContact O-CG 3.26Å; D672-L716 WeakPolarHBondContact O-CG 3.17Å; D672-L716 PolarHBondContact O-N 2.77Å; R674-L716 HydrophobicContact CG-CD1 3.7Å; R674-L716 HydrophobicContact CG-CD2 4.37Å; R674-L716 HydrophobicContact CG-CG 4Å; L716-P718 WeakPolarHBondContact O-CD 3.4Å; L716-E929 HydrophobicContact CD1-CG 3.86Å; L716-K930 HydrophobicContact CD2-CB 4.02Å; L716-K930 HydrophobicContact CD2-CG 4.49Å; L716-Y933 HydrophobicContact CB-CD1 4.15Å; L716-Y933 HydrophobicContact CB-CD2 4.35Å; L716-Y933 HydrophobicContact CB-CG 4.01Å; L716-Y933 HydrophobicContact CD1-CD2 3.86Å; L716-Y933 HydrophobicContact CD1-CG 3.87Å
717	N	92.2	Very high	90.6	Very high	14 Å²	14	29 Å²	29	8%	0.075	13%	0.134	C	C	.	.			trans	-125.1	71.6	179.2	-175.8	14.1	0	0	0	111.1	D672 G719 R720 Q748 Y933	D672-N717 HydrophobicContact CB-CB 3.97Å; D672-N717 PolarHBondContact OD2-N 3.04Å; N717-G719 PolarHBondContact O-N 3.34Å; N717-G719 VanDerWaalsContact O-N 3.16Å; N717-R720 WeakPolarHBondContact O-CG 3.46Å; N717-Q748 PolarHBondContact OD1-OE1 3.34Å; N717-Y933 HydrophobicContact CB-CE1 3.65Å
718	P	90.4	Very high	91.8	Very high	1 Å²	1	29 Å²	29	1%	0.006	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-67.7	-16.9	-173.3	29.2	-37.3	0	0	0	113.7	L468 T471 A472 L716 R720 Y721	L468-P718 HydrophobicContact CB-CG 3.96Å; L468-P718 HydrophobicContact CD2-CG 4.16Å; L468-P718 WeakPolarHBondContact O-CB 3.37Å; L468-P718 WeakPolarHBondContact O-CG 3.26Å; T471-P718 HydrophobicContact CG2-CB 3.99Å; T471-P718 WeakPolarHBondContact CG2-O 3.49Å; A472-P718 HydrophobicContact CB-CB 3.9Å; A472-P718 HydrophobicContact CB-CG 3.98Å; L716-P718 WeakPolarHBondContact O-CD 3.4Å; P718-R720 VanDerWaalsContact C-N 3.26Å; P718-R720 PolarHBondContact O-N 2.73Å; P718-Y721 PolarHBondContact O-N 2.99Å
719	G	91	Very high	92.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-62.5	-30.3	-177	0	0	0	0	0	113.7	L468 N717 Y721 L722 Q748	L468-G719 VanDerWaalsContact CD2-CA 3.47Å; N717-G719 PolarHBondContact O-N 3.34Å; N717-G719 VanDerWaalsContact O-N 3.16Å; G719-Y721 PolarHBondContact O-N 3.05Å; G719-L722 VanDerWaalsContact O-CB 3.31Å; G719-L722 WeakPolarHBondContact O-CB 2.97Å; G719-L722 PolarHBondContact O-N 2.8Å; G719-L722 VanDerWaalsContact O-N 3.07Å; G719-Q748 CarbonylContact C-O 3.6Å; G719-Q748 WeakPolarHBondContact CA-O 3.3Å
720	R	87.3	Confident	92.5	Very high	72 Å²	72	30.7 Å²	30.7	27%	0.272	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-61.4	-30.8	177.4	73.7	-174.7	-71.8	178.6	0	113.6	E670 D672 N717 P718 L722 K723 Q748	E670-R720 VanDerWaalsContact CB-CZ 3.5Å; E670-R720 IonicContact OE1-NH2 3.56Å; E670-R720 IonicContact OE2-CZ 3.43Å; E670-R720 IonicContact OE2-NH1 3.75Å; E670-R720 IonicContact OE2-NH2 2.75Å; E670-R720 PolarHBondContact OE2-NH2 3.44Å; D672-R720 WeakPolarHBondContact OD1-CD 3.17Å; D672-R720 IonicContact OD1-CZ 3.08Å; D672-R720 IonicContact OD1-NE 2.64Å; D672-R720 IonicContact OD1-NH1 2.79Å; D672-R720 PolarHBondContact OD1-NH1 2.87Å; N717-R720 WeakPolarHBondContact O-CG 3.46Å; P718-R720 VanDerWaalsContact C-N 3.26Å; P718-R720 PolarHBondContact O-N 2.73Å; R720-L722 PolarHBondContact O-N 3.24Å; R720-K723 VanDerWaalsContact O-CB 3.27Å; R720-K723 WeakPolarHBondContact O-CB 3.14Å; R720-K723 PolarHBondContact O-N 3.09Å; R720-Q748 PolarHBondContact N-O 3.32Å
721	Y	89.7	Confident	92.8	Very high	54 Å²	54	30 Å²	30	21%	0.212	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-78.8	-0.4	-179.4	-54.5	-82.8	0	0	0	112.2	M475 D672 F715 P718 G719	M475-Y721 HydrophobicContact CE-CD1 3.26Å; M475-Y721 HydrophobicContact CE-CD2 3.82Å; M475-Y721 HydrophobicContact CE-CE1 3.6Å; M475-Y721 HydrophobicContact CE-CE2 4.15Å; M475-Y721 HydrophobicContact CE-CG 3.38Å; M475-Y721 HydrophobicContact SD-CD1 4.07Å; M475-Y721 HydrophobicContact SD-CD2 3.7Å; M475-Y721 HydrophobicContact SD-CE2 4.41Å; M475-Y721 HydrophobicContact SD-CG 3.51Å; M475-Y721 VanDerWaalsContact SD-CG 3.51Å; D672-Y721 PolarHBondContact OD1-OH 3.03Å; D672-Y721 WeakPolarHBondContact OD2-CE2 3.46Å; D672-Y721 PolarHBondContact OD2-OH 2.91Å; F715-Y721 HydrophobicContact CB-CE2 4.19Å; F715-Y721 AromaticContact CD1-CE2 3.69Å; F715-Y721 HydrophobicContact CD1-CE2 3.69Å; F715-Y721 AromaticContact CD1-CZ 3.56Å; F715-Y721 VanDerWaalsContact CD1-OH 3.23Å; F715-Y721 WeakPolarHBondContact CD1-OH 3.41Å; F715-Y721 HydrophobicContact CE1-CE1 4.46Å; F715-Y721 HydrophobicContact CE1-CE2 4.4Å; F715-Y721 AromaticContact CE1-CZ 3.87Å; F715-Y721 HydrophobicContact CG-CE2 4.14Å; P718-Y721 PolarHBondContact O-N 2.99Å; G719-Y721 PolarHBondContact O-N 3.05Å
722	L	93.1	Very high	93	Very high	3 Å²	3	30 Å²	30	2%	0.016	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-92.4	0.7	170.8	-56.1	176.3	0	0	0	112.7	L442 L467 T471 G719 R720 D724 L725 V726 I749	L442-L722 HydrophobicContact CD2-CD2 3.72Å; L467-L722 HydrophobicContact CD1-CD1 4.26Å; L467-L722 HydrophobicContact CD2-CD1 3.93Å; L467-L722 HydrophobicContact CG-CD1 3.91Å; T471-L722 HydrophobicContact CG2-CD2 3.99Å; T471-L722 HydrophobicContact CG2-CG 4.31Å; G719-L722 VanDerWaalsContact O-CB 3.31Å; G719-L722 WeakPolarHBondContact O-CB 2.97Å; G719-L722 PolarHBondContact O-N 2.8Å; G719-L722 VanDerWaalsContact O-N 3.07Å; R720-L722 PolarHBondContact O-N 3.24Å; L722-D724 PolarHBondContact O-N 3.32Å; L722-L725 WeakPolarHBondContact O-CB 3.48Å; L722-L725 PolarHBondContact O-N 2.83Å; L722-L725 VanDerWaalsContact O-N 3.16Å; L722-V726 WeakPolarHBondContact O-CG2 3.28Å; L722-V726 PolarHBondContact O-N 3.4Å; L722-I749 HydrophobicContact CB-CG2 4.36Å; L722-I749 HydrophobicContact CD1-CD1 4.29Å; L722-I749 HydrophobicContact CD1-CG1 4.23Å; L722-I749 HydrophobicContact CD1-CG2 4.04Å
723	K	93.1	Very high	93.2	Very high	92 Å²	92	28.1 Å²	28.1	40%	0.4	13%	0.129	S	C	.	.	H	α-helix	trans	-51.2	-55.2	-177.8	175.2	173	179.9	-169	0	112.5	R720 L725 V726 Q727 S753	R720-K723 VanDerWaalsContact O-CB 3.27Å; R720-K723 WeakPolarHBondContact O-CB 3.14Å; R720-K723 PolarHBondContact O-N 3.09Å; K723-L725 VanDerWaalsContact C-N 3.27Å; K723-L725 PolarHBondContact O-N 3.34Å; K723-V726 PolarHBondContact O-N 2.99Å; K723-V726 VanDerWaalsContact O-N 3.15Å; K723-Q727 VanDerWaalsContact CE-NE2 3.28Å; K723-Q727 HydrophobicContact CG-CG 4.33Å; K723-Q727 WeakPolarHBondContact O-CB 3.08Å; K723-Q727 VanDerWaalsContact O-CG 3.31Å; K723-Q727 WeakPolarHBondContact O-CG 3.46Å; K723-Q727 PolarHBondContact O-N 2.93Å; K723-S753 WeakPolarHBondContact CA-OG 3.23Å
724	D	91.5	Very high	93.4	Very high	89 Å²	89	28.2 Å²	28.2	48%	0.476	13%	0.129	S	C	.	.	H	α-helix	trans	-62.2	-38.9	-177.4	-56.5	-18.4	0	0	0	111.1	L722 V726 Q727 E728	L722-D724 PolarHBondContact O-N 3.32Å; D724-V726 PolarHBondContact O-N 3.05Å; D724-Q727 PolarHBondContact O-N 2.94Å; D724-E728 VanDerWaalsContact O-CB 3.29Å; D724-E728 WeakPolarHBondContact O-CB 3.47Å; D724-E728 VanDerWaalsContact O-CG 3.27Å; D724-E728 WeakPolarHBondContact O-CG 3.19Å; D724-E728 PolarHBondContact O-N 2.82Å
725	L	94.1	Very high	93.5	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.026	12%	0.123	C	C	.	.	H	α-helix	trans	-61.4	-43.8	176.9	179	158.8	0	0	0	111.9	L441 L454 L722 K723 A729 V732	L441-L725 HydrophobicContact CD1-CD1 3.97Å; L441-L725 HydrophobicContact CD2-CD1 3.97Å; L441-L725 HydrophobicContact CG-CD1 3.64Å; L454-L725 HydrophobicContact CD1-CB 4.14Å; L454-L725 HydrophobicContact CD1-CG 4.06Å; L722-L725 WeakPolarHBondContact O-CB 3.48Å; L722-L725 PolarHBondContact O-N 2.83Å; L722-L725 VanDerWaalsContact O-N 3.16Å; K723-L725 VanDerWaalsContact C-N 3.27Å; K723-L725 PolarHBondContact O-N 3.34Å; L725-A729 VanDerWaalsContact O-CB 3.27Å; L725-A729 WeakPolarHBondContact O-CB 3.36Å; L725-A729 PolarHBondContact O-N 3.17Å; L725-V732 HydrophobicContact CD2-CG2 4.14Å
726	V	95.5	Very high	93.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-75.3	-29.3	-178.9	175.6	0	0	0	0	112.2	L722 K723 D724 V732 I749 F750 K755	L722-V726 WeakPolarHBondContact O-CG2 3.28Å; L722-V726 PolarHBondContact O-N 3.4Å; K723-V726 PolarHBondContact O-N 2.99Å; K723-V726 VanDerWaalsContact O-N 3.15Å; D724-V726 PolarHBondContact O-N 3.05Å; V726-V732 HydrophobicContact CB-CG2 4.46Å; V726-V732 HydrophobicContact CG2-CG2 4.25Å; V726-I749 HydrophobicContact CG2-CG2 4.07Å; V726-F750 HydrophobicContact CG1-CD1 4.02Å; V726-F750 HydrophobicContact CG1-CE1 4.3Å; V726-K755 HydrophobicContact CG1-CG 4.03Å
727	Q	93.9	Very high	93.2	Very high	102 Å²	102	27.5 Å²	27.5	48%	0.477	13%	0.128	S	C	.	.	H	α-helix	trans	-81.1	-40	179.1	-71.8	-174	-15.3	0	0	112.8	K723 D724 S753	K723-Q727 VanDerWaalsContact CE-NE2 3.28Å; K723-Q727 HydrophobicContact CG-CG 4.33Å; K723-Q727 WeakPolarHBondContact O-CB 3.08Å; K723-Q727 VanDerWaalsContact O-CG 3.31Å; K723-Q727 WeakPolarHBondContact O-CG 3.46Å; K723-Q727 PolarHBondContact O-N 2.93Å; D724-Q727 PolarHBondContact O-N 2.94Å; Q727-S753 WeakPolarHBondContact CG-O 3.47Å; Q727-S753 PolarHBondContact NE2-O 2.91Å
728	E	92.8	Very high	93	Very high	85 Å²	85	27.4 Å²	27.4	40%	0.397	13%	0.128	S	C	.	.	H	α-helix	trans	-72.6	-34.6	178.6	-71.8	179	-163.9	0	0	112.6	L454 D724	L454-E728 HydrophobicContact CB-CB 3.87Å; D724-E728 VanDerWaalsContact O-CB 3.29Å; D724-E728 WeakPolarHBondContact O-CB 3.47Å; D724-E728 VanDerWaalsContact O-CG 3.27Å; D724-E728 WeakPolarHBondContact O-CG 3.19Å; D724-E728 PolarHBondContact O-N 2.82Å
729	A	94.5	Very high	93	Very high	3 Å²	3	28 Å²	28	3%	0.025	13%	0.131	C	C	.	.	S	Bend	trans	-73.3	142.5	177	0	0	0	0	0	111.3	V459 L725 S731 V732	V459-A729 HydrophobicContact CG2-CB 3.72Å; L725-A729 VanDerWaalsContact O-CB 3.27Å; L725-A729 WeakPolarHBondContact O-CB 3.36Å; L725-A729 PolarHBondContact O-N 3.17Å; A729-S731 VanDerWaalsContact C-N 3.33Å; A729-S731 PolarHBondContact O-N 2.77Å; A729-V732 HydrophobicContact CB-CG2 3.85Å
730	R	93.9	Very high	92.9	Very high	41 Å²	41	31.9 Å²	31.9	16%	0.155	15%	0.149	C	C	.	.	S	Bend	trans	-63.4	-42.4	174.2	-173.6	-166.7	169.9	-70.2	9	110.9	L82 N85 W109 S457	L82-R730 VanDerWaalsContact O-CZ 3.23Å; L82-R730 PolarHBondContact O-NH1 2.96Å; L82-R730 PolarHBondContact O-NH2 2.99Å; N85-R730 PolarHBondContact OD1-NE 2.7Å; N85-R730 VanDerWaalsContact OD1-NE 3.08Å; N85-R730 PolarHBondContact OD1-NH1 3.02Å; N85-R730 PolarHBondContact OD1-NH2 2.78Å; W109-R730 VanDerWaalsContact CZ2-NH2 3.32Å; S457-R730 WeakPolarHBondContact O-CB 3.28Å; S457-R730 PolarHBondContact O-N 2.87Å
731	S	96.1	Very high	93	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	142.4	177.9	176.9	0	0	0	0	110	C86 I458 V459 A729	C86-S731 WeakPolarHBondContact O-CB 3.27Å; C86-S731 PolarHBondContact O-OG 2.82Å; I458-S731 WeakPolarHBondContact CA-O 3.23Å; V459-S731 PolarHBondContact N-O 3.02Å; A729-S731 VanDerWaalsContact C-N 3.33Å; A729-S731 PolarHBondContact O-N 2.77Å
732	V	97.7	Very high	93.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.7	173.7	-177.1	0	0	0	0	109.1	C87 G88 V459 I461 L725 V726 A729 L734 F750	C87-V732 WeakPolarHBondContact CA-O 3.19Å; C87-V732 WeakPolarHBondContact CB-O 3.47Å; C87-V732 PolarHBondContact SG-N 3.48Å; G88-V732 PolarHBondContact N-O 3.28Å; V459-V732 HydrophobicContact CB-CG2 4.33Å; V459-V732 CarbonylContact O-C 3.56Å; V459-V732 WeakPolarHBondContact O-CA 3.38Å; I461-V732 HydrophobicContact CD1-CG1 4.26Å; L725-V732 HydrophobicContact CD2-CG2 4.14Å; V726-V732 HydrophobicContact CB-CG2 4.46Å; V726-V732 HydrophobicContact CG2-CG2 4.25Å; A729-V732 HydrophobicContact CB-CG2 3.85Å; V732-L734 HydrophobicContact CG1-CD2 4.04Å; V732-F750 HydrophobicContact CB-CE1 4.22Å
733	L	98	Very high	92.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	109.5	177.3	-48.3	-175	0	0	0	109	V78 T81 L82 G88 F90 T106 V459 I460 I461 V735	V78-L733 HydrophobicContact CG1-CD1 3.88Å; T81-L733 HydrophobicContact CG2-CD2 4.01Å; L82-L733 HydrophobicContact CD2-CD1 4.06Å; L82-L733 HydrophobicContact CD2-CD2 4.16Å; L82-L733 HydrophobicContact CD2-CG 4.38Å; G88-L733 CarbonylContact O-C 3.54Å; G88-L733 WeakPolarHBondContact O-CA 3.43Å; F90-L733 HydrophobicContact CD2-CB 4.33Å; F90-L733 HydrophobicContact CE2-CB 4.12Å; F90-L733 HydrophobicContact CE2-CD2 3.75Å; F90-L733 HydrophobicContact CE2-CG 4.34Å; F90-L733 HydrophobicContact CZ-CD2 4.33Å; T106-L733 HydrophobicContact CG2-CD1 4.22Å; V459-L733 PolarHBondContact O-N 2.86Å; I460-L733 HydrophobicContact CG1-CD1 4.25Å; I461-L733 PolarHBondContact N-O 2.99Å; L733-V735 HydrophobicContact CB-CG2 4.43Å
734	L	97.8	Very high	92.8	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.3	172.7	-59.6	-173.7	0	0	0	108.9	G88 I89 F90 I461 A464 L467 V732 M739 A745 I749 F750	G88-L734 PolarHBondContact O-N 3.46Å; I89-L734 CarbonylContact C-O 3.54Å; I89-L734 WeakPolarHBondContact CA-O 3.41Å; I89-L734 HydrophobicContact CG1-CB 4.42Å; I89-L734 HydrophobicContact CG1-CD1 4.42Å; F90-L734 PolarHBondContact N-O 3.44Å; I461-L734 HydrophobicContact CB-CD2 3.99Å; I461-L734 HydrophobicContact CD1-CD2 3.88Å; I461-L734 HydrophobicContact CG1-CD2 4.27Å; A464-L734 HydrophobicContact CB-CB 3.7Å; A464-L734 HydrophobicContact CB-CD2 4.04Å; A464-L734 HydrophobicContact CB-CG 4.37Å; L467-L734 HydrophobicContact CD2-CD2 3.56Å; V732-L734 HydrophobicContact CG1-CD2 4.04Å; L734-M739 HydrophobicContact CB-CE 4.14Å; L734-A745 HydrophobicContact CD1-CB 4.03Å; L734-I749 HydrophobicContact CD1-CD1 3.83Å; L734-F750 HydrophobicContact CD1-CE2 3.62Å; L734-F750 HydrophobicContact CD1-CZ 3.86Å; L734-F750 HydrophobicContact CG-CE2 4.08Å; L734-F750 HydrophobicContact CG-CZ 3.87Å
735	V	95.9	Very high	92.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.3	-176.4	-170.2	0	0	0	0	109.8	F90 K98 L102 I460 I461 D462 E463 A464 L733	F90-V735 HydrophobicContact CB-CG1 4.4Å; F90-V735 HydrophobicContact CB-CG2 4.33Å; F90-V735 HydrophobicContact CD2-CG2 4.46Å; F90-V735 WeakPolarHBondContact O-CA 3.35Å; K98-V735 HydrophobicContact CD-CG1 4.17Å; L102-V735 HydrophobicContact CD1-CB 4.13Å; L102-V735 HydrophobicContact CD1-CG1 3.67Å; L102-V735 HydrophobicContact CD1-CG2 3.87Å; L102-V735 HydrophobicContact CD2-CG1 4.48Å; L102-V735 HydrophobicContact CD2-CG2 3.83Å; I460-V735 HydrophobicContact CG2-CG2 4.03Å; I461-V735 PolarHBondContact O-N 3.4Å; D462-V735 CarbonylContact C-O 3.57Å; E463-V735 PolarHBondContact N-O 2.99Å; A464-V735 PolarHBondContact N-O 3.09Å; L733-V735 HydrophobicContact CB-CG2 4.43Å
736	G	92.2	Very high	92.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	168	173.3	0	0	0	0	0	113.5	F90 E91 S92	F90-G736 PolarHBondContact O-N 3.18Å; E91-G736 WeakPolarHBondContact CA-O 3.35Å; S92-G736 PolarHBondContact N-O 2.95Å
737	G	87.6	Confident	92.7	Very high	13 Å²	13	28.5 Å²	28.5	13%	0.134	14%	0.144	C	C	.	.	S	Bend	trans	-77.2	-19	175.3	0	0	0	0	0	115.3	S92	S92-G737 WeakPolarHBondContact O-CA 3.43Å
738	T	87.4	Confident	92.7	Very high	12 Å²	12	23.9 Å²	23.9	7%	0.074	12%	0.123	C	C	.	.			trans	-147.9	66.7	-170.7	55.4	0	0	0	0	109.6	R959 N962 Q963	T738-R959 WeakPolarHBondContact OG1-CG 3.38Å; T738-N962 HydrophobicContact CG2-CB 3.78Å; T738-Q963 HydrophobicContact CG2-CG 4.15Å
739	M	90.4	Very high	92.8	Very high	13 Å²	13	20 Å²	20	6%	0.064	11%	0.105	C	C	.	.			trans	-93.2	-19.7	-174.4	-70	-57.9	-66	0	0	112.7	I89 E91 A464 H465 L734 P741 F742	I89-M739 HydrophobicContact CG2-CB 4.06Å; I89-M739 HydrophobicContact CG2-CE 3.71Å; I89-M739 HydrophobicContact CG2-CG 4.33Å; E91-M739 HydrophobicContact CB-CB 4.15Å; E91-M739 PolarHBondContact OE2-N 3.41Å; A464-M739 HydrophobicContact CB-CE 3.86Å; A464-M739 HydrophobicContact CB-SD 4.02Å; H465-M739 HydrophobicContact CB-SD 3.92Å; H465-M739 PolarHBondContact N-SD 3.43Å; H465-M739 VanDerWaalsContact N-SD 3.4Å; L734-M739 HydrophobicContact CB-CE 4.14Å; M739-P741 CarbonylContact O-C 3.4Å; M739-F742 HydrophobicContact CB-CD1 4.05Å; M739-F742 HydrophobicContact CB-CE1 3.69Å
740	Q	89.4	Confident	92.8	Very high	83 Å²	83	19.9 Å²	19.9	39%	0.388	10%	0.103	S	C	.	.			trans	-69.7	142.8	174.8	-77.2	-171.8	-29	0	0	112.2	E91 F742 T764	E91-Q740 WeakPolarHBondContact OE2-CB 3.43Å; E91-Q740 VanDerWaalsContact OE2-CG 3.27Å; E91-Q740 WeakPolarHBondContact OE2-CG 3.45Å; E91-Q740 PolarHBondContact OE2-N 2.99Å; Q740-F742 HydrophobicContact CG-CD1 4.43Å; Q740-F742 HydrophobicContact CG-CE1 4.06Å; Q740-F742 HydrophobicContact CG-CE2 4.14Å; Q740-F742 HydrophobicContact CG-CZ 3.94Å; Q740-T764 HydrophobicContact CG-CG2 4.14Å
741	P	88.2	Confident	92.7	Very high	37 Å²	37	22.4 Å²	22.4	24%	0.24	12%	0.119	C	C	.	.	S	Bend	cis	-74.2	139.6	-6.8	31	-33.6	0	0	0	112.5	M739 N743 Q951	M739-P741 CarbonylContact O-C 3.4Å; P741-N743 PolarHBondContact O-N 3.01Å; P741-Q951 HydrophobicContact CG-CG 4.49Å
742	F	91.4	Very high	92.4	Very high	24 Å²	24	24.8 Å²	24.8	11%	0.105	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.7	-175.5	-59.8	-48.1	0	0	0	114.7	I89 E91 M739 Q740 E744 A745 I746 T762 T764	I89-F742 HydrophobicContact CB-CD1 4.22Å; I89-F742 HydrophobicContact CB-CE1 4.43Å; I89-F742 HydrophobicContact CD1-CB 4.24Å; I89-F742 HydrophobicContact CG2-CD1 3.48Å; I89-F742 VanDerWaalsContact CG2-CD1 3.48Å; I89-F742 HydrophobicContact CG2-CE1 3.67Å; I89-F742 HydrophobicContact CG2-CG 4.39Å; E91-F742 HydrophobicContact CB-CE1 4.29Å; E91-F742 HydrophobicContact CB-CZ 4.33Å; M739-F742 HydrophobicContact CB-CD1 4.05Å; M739-F742 HydrophobicContact CB-CE1 3.69Å; Q740-F742 HydrophobicContact CG-CD1 4.43Å; Q740-F742 HydrophobicContact CG-CE1 4.06Å; Q740-F742 HydrophobicContact CG-CE2 4.14Å; Q740-F742 HydrophobicContact CG-CZ 3.94Å; F742-E744 PolarHBondContact O-N 3.18Å; F742-A745 PolarHBondContact O-N 3.07Å; F742-A745 VanDerWaalsContact O-N 3.11Å; F742-I746 HydrophobicContact CB-CD1 3.98Å; F742-I746 WeakPolarHBondContact O-CG1 3.32Å; F742-I746 PolarHBondContact O-N 3.43Å; F742-T762 HydrophobicContact CB-CG2 4.26Å; F742-T762 HydrophobicContact CD2-CG2 3.76Å; F742-T762 HydrophobicContact CE2-CG2 4.25Å; F742-T762 HydrophobicContact CG-CG2 4.1Å; F742-T764 HydrophobicContact CE1-CG2 4.43Å; F742-T764 HydrophobicContact CE2-CG2 3.69Å; F742-T764 HydrophobicContact CZ-CG2 3.31Å
743	N	90.3	Very high	92.2	Very high	63 Å²	63	24.9 Å²	24.9	34%	0.337	14%	0.135	S	C	.	.	H	α-helix	trans	-52.3	-41.3	-175.7	-60.1	55.1	0	0	0	112.5	P741 A745 I746 E747 R940	P741-N743 PolarHBondContact O-N 3.01Å; N743-A745 PolarHBondContact O-N 3.43Å; N743-I746 PolarHBondContact O-N 3.33Å; N743-E747 VanDerWaalsContact O-CB 3.23Å; N743-E747 WeakPolarHBondContact O-CB 3.38Å; N743-E747 VanDerWaalsContact O-CG 3.27Å; N743-E747 WeakPolarHBondContact O-CG 3.2Å; N743-E747 PolarHBondContact O-N 3.03Å; N743-R940 VanDerWaalsContact CB-NH2 3.27Å
744	E	90.8	Very high	91.9	Very high	30 Å²	30	27.4 Å²	27.4	14%	0.14	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-48.3	-179.6	-172.8	-179	-154.3	0	0	111.5	L468 F742 Q748 Y952 R959	L468-E744 HydrophobicContact CD1-CG 3.74Å; F742-E744 PolarHBondContact O-N 3.18Å; E744-Q748 VanDerWaalsContact O-CB 3.28Å; E744-Q748 WeakPolarHBondContact O-CB 3.43Å; E744-Q748 PolarHBondContact O-N 3.35Å; E744-Y952 WeakPolarHBondContact OE1-CD2 3.43Å; E744-Y952 WeakPolarHBondContact OE1-CE2 3.01Å; E744-R959 IonicContact OE2-CZ 3.86Å; E744-R959 IonicContact OE2-NH1 3Å; E744-R959 IonicContact OE2-NH2 3.67Å; E744-R959 PolarHBondContact OE2-NH2 2.88Å
745	A	92.6	Very high	91.7	Very high	10 Å²	10	29.2 Å²	29.2	8%	0.083	17%	0.169	C	C	.	.	H	α-helix	trans	-70.6	-37.8	179	0	0	0	0	0	112.2	I89 L734 F742 N743 I749 F750	I89-A745 HydrophobicContact CD1-CB 3.83Å; L734-A745 HydrophobicContact CD1-CB 4.03Å; F742-A745 PolarHBondContact O-N 3.07Å; F742-A745 VanDerWaalsContact O-N 3.11Å; N743-A745 PolarHBondContact O-N 3.43Å; A745-I749 HydrophobicContact CB-CD1 4.28Å; A745-I749 WeakPolarHBondContact O-CA 3.36Å; A745-I749 WeakPolarHBondContact O-CB 3.29Å; A745-I749 PolarHBondContact O-N 3.28Å; A745-F750 PolarHBondContact O-N 2.66Å
746	I	94.1	Very high	91.5	Very high	41 Å²	41	34.2 Å²	34.2	21%	0.21	20%	0.195	C	C	.	.	I	π-helix	trans	-65.1	-53.1	178.3	-64.6	172.3	0	0	0	110.6	I89 F742 N743 F750 I751 I760 T762	I89-I746 HydrophobicContact CD1-CD1 4.26Å; I89-I746 HydrophobicContact CD1-CG1 3.54Å; F742-I746 HydrophobicContact CB-CD1 3.98Å; F742-I746 WeakPolarHBondContact O-CG1 3.32Å; F742-I746 PolarHBondContact O-N 3.43Å; N743-I746 PolarHBondContact O-N 3.33Å; I746-F750 PolarHBondContact O-N 2.91Å; I746-I751 HydrophobicContact CG2-CD1 3.76Å; I746-I751 HydrophobicContact CG2-CG1 4.04Å; I746-I751 WeakPolarHBondContact O-CG1 3.39Å; I746-I751 PolarHBondContact O-N 3.5Å; I746-I760 HydrophobicContact CG1-CG2 4.26Å; I746-I760 HydrophobicContact CG2-CD1 4.13Å; I746-T762 HydrophobicContact CD1-CG2 4.18Å
747	E	91.9	Very high	91.4	Very high	39 Å²	39	39.4 Å²	39.4	18%	0.182	23%	0.231	C	C	.	.	I	π-helix	trans	-71.1	-36.5	-173.6	-67.8	167.5	179.7	0	0	112.4	N743 P752 F938 R940	N743-E747 VanDerWaalsContact O-CB 3.23Å; N743-E747 WeakPolarHBondContact O-CB 3.38Å; N743-E747 VanDerWaalsContact O-CG 3.27Å; N743-E747 WeakPolarHBondContact O-CG 3.2Å; N743-E747 PolarHBondContact O-N 3.03Å; E747-P752 WeakPolarHBondContact O-CD 3.39Å; E747-P752 VanDerWaalsContact O-CG 3.27Å; E747-P752 WeakPolarHBondContact O-CG 3.46Å; E747-F938 HydrophobicContact CB-CD1 3.86Å; E747-F938 HydrophobicContact CB-CE1 3.84Å; E747-F938 HydrophobicContact CG-CD1 4.46Å; E747-R940 IonicContact OE1-CZ 3.87Å; E747-R940 IonicContact OE1-NE 3.46Å; E747-R940 PolarHBondContact OE1-NE 3.3Å; E747-R940 IonicContact OE1-NH2 3.26Å; E747-R940 PolarHBondContact OE1-NH2 2.97Å; E747-R940 IonicContact OE2-CZ 3.76Å; E747-R940 IonicContact OE2-NE 3.92Å; E747-R940 IonicContact OE2-NH2 3.14Å; E747-R940 PolarHBondContact OE2-NH2 3.46Å
748	Q	92.9	Very high	91.5	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.028	26%	0.256	C	S	.	.	I	π-helix	trans	-96.1	-26.7	-176.3	-64	-179.3	42.1	0	0	114.2	L468 N717 G719 R720 E744 P752 F938	L468-Q748 HydrophobicContact CD1-CB 4.5Å; L468-Q748 HydrophobicContact CD2-CB 4.38Å; N717-Q748 PolarHBondContact OD1-OE1 3.34Å; G719-Q748 CarbonylContact C-O 3.6Å; G719-Q748 WeakPolarHBondContact CA-O 3.3Å; R720-Q748 PolarHBondContact N-O 3.32Å; E744-Q748 VanDerWaalsContact O-CB 3.28Å; E744-Q748 WeakPolarHBondContact O-CB 3.43Å; E744-Q748 PolarHBondContact O-N 3.35Å; Q748-P752 WeakPolarHBondContact O-CG 3Å; Q748-F938 HydrophobicContact CG-CE1 4.31Å; Q748-F938 HydrophobicContact CG-CE2 4.13Å; Q748-F938 HydrophobicContact CG-CZ 3.69Å
749	I	95.1	Very high	91.9	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	27%	0.269	C	S	.	.	I	π-helix	trans	-107.2	-59.2	-174.6	-51.6	175.1	0	0	0	110.6	L467 L468 L722 V726 L734 A745 S753	L467-I749 HydrophobicContact CD2-CD1 3.89Å; L468-I749 HydrophobicContact CD2-CD1 3.93Å; L468-I749 HydrophobicContact CD2-CG1 3.74Å; L468-I749 HydrophobicContact CG-CD1 4.23Å; L722-I749 HydrophobicContact CB-CG2 4.36Å; L722-I749 HydrophobicContact CD1-CD1 4.29Å; L722-I749 HydrophobicContact CD1-CG1 4.23Å; L722-I749 HydrophobicContact CD1-CG2 4.04Å; V726-I749 HydrophobicContact CG2-CG2 4.07Å; L734-I749 HydrophobicContact CD1-CD1 3.83Å; A745-I749 HydrophobicContact CB-CD1 4.28Å; A745-I749 WeakPolarHBondContact O-CA 3.36Å; A745-I749 WeakPolarHBondContact O-CB 3.29Å; A745-I749 PolarHBondContact O-N 3.28Å; I749-S753 WeakPolarHBondContact O-CB 3.3Å; I749-S753 PolarHBondContact O-N 3.13Å; I749-S753 PolarHBondContact O-OG 3.43Å
750	F	95.8	Very high	92.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.27	C	S	.	.	I	π-helix	trans	-80	-46.9	-168.2	-71.7	-59.7	0	0	0	114.2	C87 I89 V726 V732 L734 A745 I746 S753 G754 K755 I760	C87-F750 HydrophobicContact CB-CD1 3.91Å; C87-F750 HydrophobicContact CB-CE1 3.34Å; C87-F750 HydrophobicContact CB-CZ 3.82Å; I89-F750 HydrophobicContact CD1-CD2 4.17Å; I89-F750 HydrophobicContact CD1-CE2 3.94Å; I89-F750 HydrophobicContact CG1-CD2 4.34Å; I89-F750 HydrophobicContact CG1-CE2 3.62Å; V726-F750 HydrophobicContact CG1-CD1 4.02Å; V726-F750 HydrophobicContact CG1-CE1 4.3Å; V732-F750 HydrophobicContact CB-CE1 4.22Å; L734-F750 HydrophobicContact CD1-CE2 3.62Å; L734-F750 HydrophobicContact CD1-CZ 3.86Å; L734-F750 HydrophobicContact CG-CE2 4.08Å; L734-F750 HydrophobicContact CG-CZ 3.87Å; A745-F750 PolarHBondContact O-N 2.66Å; I746-F750 PolarHBondContact O-N 2.91Å; F750-S753 CarbonylContact O-C 3.59Å; F750-S753 WeakPolarHBondContact O-CA 3.2Å; F750-S753 WeakPolarHBondContact O-CB 3.48Å; F750-S753 PolarHBondContact O-N 3.29Å; F750-S753 VanDerWaalsContact O-N 3.13Å; F750-G754 PolarHBondContact O-N 3.05Å; F750-K755 HydrophobicContact CB-CB 4.16Å; F750-K755 HydrophobicContact CD1-CG 4.2Å; F750-K755 WeakPolarHBondContact O-CB 3.32Å; F750-K755 PolarHBondContact O-N 2.76Å; F750-K755 VanDerWaalsContact O-N 3.09Å; F750-I760 HydrophobicContact CB-CD1 3.53Å; F750-I760 HydrophobicContact CB-CG1 4.05Å; F750-I760 HydrophobicContact CD2-CG2 4.2Å; F750-I760 HydrophobicContact CG-CD1 4.21Å; F750-I760 HydrophobicContact CG-CG1 4.26Å
751	I	92.2	Very high	92.4	Very high	94 Å²	94	45.6 Å²	45.6	48%	0.482	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-47.5	-180	-67.7	174.5	0	0	0	111.4	I746 S753 G754	I746-I751 HydrophobicContact CG2-CD1 3.76Å; I746-I751 HydrophobicContact CG2-CG1 4.04Å; I746-I751 WeakPolarHBondContact O-CG1 3.39Å; I746-I751 PolarHBondContact O-N 3.5Å; I751-S753 PolarHBondContact O-N 3Å; I751-S753 VanDerWaalsContact O-N 3.16Å; I751-G754 PolarHBondContact O-N 3.42Å
752	P	89.8	Confident	92.8	Very high	49 Å²	49	47.2 Å²	47.2	32%	0.318	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.5	177	-24.6	37.9	0	0	0	113.2	E747 Q748 G754	E747-P752 WeakPolarHBondContact O-CD 3.39Å; E747-P752 VanDerWaalsContact O-CG 3.27Å; E747-P752 WeakPolarHBondContact O-CG 3.46Å; Q748-P752 WeakPolarHBondContact O-CG 3Å; P752-G754 VanDerWaalsContact C-N 3.25Å; P752-G754 PolarHBondContact O-N 3.09Å
753	S	92.4	Very high	93	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.5	174.1	-55.4	0	0	0	0	113.7	K723 Q727 I749 F750 I751	K723-S753 WeakPolarHBondContact CA-OG 3.23Å; Q727-S753 WeakPolarHBondContact CG-O 3.47Å; Q727-S753 PolarHBondContact NE2-O 2.91Å; I749-S753 WeakPolarHBondContact O-CB 3.3Å; I749-S753 PolarHBondContact O-N 3.13Å; I749-S753 PolarHBondContact O-OG 3.43Å; F750-S753 CarbonylContact O-C 3.59Å; F750-S753 WeakPolarHBondContact O-CA 3.2Å; F750-S753 WeakPolarHBondContact O-CB 3.48Å; F750-S753 PolarHBondContact O-N 3.29Å; F750-S753 VanDerWaalsContact O-N 3.13Å; I751-S753 PolarHBondContact O-N 3Å; I751-S753 VanDerWaalsContact O-N 3.16Å
754	G	92.1	Very high	93	Very high	54 Å²	54	45.9 Å²	45.9	56%	0.557	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	13	178.8	0	0	0	0	0	114.8	F750 I751 P752	F750-G754 PolarHBondContact O-N 3.05Å; I751-G754 PolarHBondContact O-N 3.42Å; P752-G754 VanDerWaalsContact C-N 3.25Å; P752-G754 PolarHBondContact O-N 3.09Å
755	K	92.8	Very high	92.9	Very high	38 Å²	38	45.1 Å²	45.1	17%	0.165	27%	0.265	C	S	.	.			trans	-79.8	134.4	174.8	-60.9	-65.9	-179	178.5	0	110.3	V726 F750 I760	V726-K755 HydrophobicContact CG1-CG 4.03Å; F750-K755 HydrophobicContact CB-CB 4.16Å; F750-K755 HydrophobicContact CD1-CG 4.2Å; F750-K755 WeakPolarHBondContact O-CB 3.32Å; F750-K755 PolarHBondContact O-N 2.76Å; F750-K755 VanDerWaalsContact O-N 3.09Å; K755-I760 HydrophobicContact CB-CD1 4.27Å; K755-I760 HydrophobicContact CB-CG1 4.18Å
756	L	92.5	Very high	92.4	Very high	106 Å²	106	48 Å²	48	56%	0.555	28%	0.279	S	S	*	.			trans	-82.2	160.3	174.9	-62.6	175.7	0	0	0	111.4	N758 Q759 I760	L756-N758 VanDerWaalsContact C-N 3.28Å; L756-N758 WeakPolarHBondContact CB-OD1 3.18Å; L756-N758 PolarHBondContact O-N 3.4Å; L756-Q759 HydrophobicContact CB-CG 4.3Å; L756-Q759 WeakPolarHBondContact O-CA 3.38Å; L756-Q759 WeakPolarHBondContact O-CB 3.33Å; L756-Q759 PolarHBondContact O-N 2.81Å; L756-I760 WeakPolarHBondContact O-CG1 3.25Å
757	S	89	Confident	92	Very high	108 Å²	108	46.3 Å²	46.3	76%	0.755	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-59.7	-35.2	-179.5	54.7	0	0	0	0	113.5	Q759 I760	S757-Q759 PolarHBondContact O-N 2.95Å; S757-I760 PolarHBondContact O-N 3.26Å
758	N	91.5	Very high	91.6	Very high	122 Å²	122	45.5 Å²	45.5	65%	0.652	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-72.2	-14	174.9	64.7	-22.6	0	0	0	113.8	L756	L756-N758 VanDerWaalsContact C-N 3.28Å; L756-N758 WeakPolarHBondContact CB-OD1 3.18Å; L756-N758 PolarHBondContact O-N 3.4Å
759	Q	93.9	Very high	91.2	Very high	72 Å²	72	45.7 Å²	45.7	34%	0.336	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-94.7	3.1	175.8	-63.4	176.7	-37	0	0	112.8	C86 C87 L756 S757	C86-Q759 WeakPolarHBondContact CA-O 3.22Å; C86-Q759 WeakPolarHBondContact CB-O 3.45Å; C87-Q759 PolarHBondContact N-O 3.31Å; L756-Q759 HydrophobicContact CB-CG 4.3Å; L756-Q759 WeakPolarHBondContact O-CA 3.38Å; L756-Q759 WeakPolarHBondContact O-CB 3.33Å; L756-Q759 PolarHBondContact O-N 2.81Å; S757-Q759 PolarHBondContact O-N 2.95Å
760	I	95.7	Very high	90.8	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.097	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110	-177.6	-56.9	163.5	0	0	0	108.5	C87 I89 I746 F750 K755 L756 S757	C87-I760 WeakPolarHBondContact O-CA 3.47Å; I89-I760 HydrophobicContact CD1-CG2 4.38Å; I746-I760 HydrophobicContact CG1-CG2 4.26Å; I746-I760 HydrophobicContact CG2-CD1 4.13Å; F750-I760 HydrophobicContact CB-CD1 3.53Å; F750-I760 HydrophobicContact CB-CG1 4.05Å; F750-I760 HydrophobicContact CD2-CG2 4.2Å; F750-I760 HydrophobicContact CG-CD1 4.21Å; F750-I760 HydrophobicContact CG-CG1 4.26Å; K755-I760 HydrophobicContact CB-CD1 4.27Å; K755-I760 HydrophobicContact CB-CG1 4.18Å; L756-I760 WeakPolarHBondContact O-CG1 3.25Å; S757-I760 PolarHBondContact O-N 3.26Å
761	V	96.4	Very high	90.2	Very high	39 Å²	39	49.5 Å²	49.5	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.5	176.9	179.6	0	0	0	0	109.4	T77 T81 C86 C87 G88 I89	T77-V761 HydrophobicContact CG2-CG1 3.95Å; T81-V761 HydrophobicContact CG2-CB 4.04Å; T81-V761 HydrophobicContact CG2-CG2 3.98Å; C86-V761 HydrophobicContact CB-CG2 3.97Å; C87-V761 PolarHBondContact O-N 3.49Å; G88-V761 CarbonylContact C-O 3.41Å; G88-V761 WeakPolarHBondContact CA-O 3.45Å; I89-V761 PolarHBondContact N-O 2.94Å
762	T	95.6	Very high	89.9	Confident	70 Å²	70	52.3 Å²	52.3	43%	0.429	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.5	172.5	59.5	0	0	0	0	110.6	I89 F742 I746	I89-T762 HydrophobicContact CD1-CG2 4.45Å; I89-T762 CarbonylContact O-C 3.52Å; I89-T762 WeakPolarHBondContact O-CA 3.3Å; F742-T762 HydrophobicContact CB-CG2 4.26Å; F742-T762 HydrophobicContact CD2-CG2 3.76Å; F742-T762 HydrophobicContact CE2-CG2 4.25Å; F742-T762 HydrophobicContact CG-CG2 4.1Å; I746-T762 HydrophobicContact CD1-CG2 4.18Å
763	F	94.8	Very high	89.8	Confident	12 Å²	12	56.7 Å²	56.7	5%	0.053	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.2	-179.4	178.8	-100	0	0	0	111.1	E73 L74 T77 I89 F90 E91 C765	E73-F763 HydrophobicContact CB-CE2 4.34Å; E73-F763 HydrophobicContact CB-CZ 4.12Å; E73-F763 HydrophobicContact CG-CE2 3.68Å; E73-F763 HydrophobicContact CG-CZ 3.96Å; L74-F763 HydrophobicContact CB-CE1 3.8Å; L74-F763 HydrophobicContact CB-CZ 4.13Å; L74-F763 HydrophobicContact CD1-CD1 3.69Å; L74-F763 HydrophobicContact CD1-CE1 3.65Å; L74-F763 HydrophobicContact CG-CE1 4.31Å; T77-F763 HydrophobicContact CG2-CB 4.16Å; T77-F763 HydrophobicContact CG2-CD2 3.89Å; T77-F763 HydrophobicContact CG2-CG 4.24Å; I89-F763 PolarHBondContact O-N 3.01Å; F90-F763 HydrophobicContact CD1-CB 3.5Å; F90-F763 AromaticContact CD1-CD1 3.91Å; F90-F763 HydrophobicContact CD1-CD1 3.91Å; F90-F763 AromaticContact CD1-CG 3.94Å; F90-F763 HydrophobicContact CD1-CG 3.94Å; F90-F763 HydrophobicContact CE1-CB 3.95Å; F90-F763 HydrophobicContact CE1-CG 4.48Å; F90-F763 HydrophobicContact CG-CB 4.29Å; E91-F763 PolarHBondContact N-O 3.14Å; F763-C765 HydrophobicContact CE1-CB 3.69Å; F763-C765 HydrophobicContact CZ-CB 3.69Å
764	T	91.8	Very high	89.7	Confident	48 Å²	48	57.9 Å²	57.9	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.1	169.7	58.6	0	0	0	0	109.2	E91 Q740 F742	E91-T764 HydrophobicContact CB-CG2 4.02Å; Q740-T764 HydrophobicContact CG-CG2 4.14Å; F742-T764 HydrophobicContact CE1-CG2 4.43Å; F742-T764 HydrophobicContact CE2-CG2 3.69Å; F742-T764 HydrophobicContact CZ-CG2 3.31Å
765	C	87.6	Confident	89.7	Confident	13 Å²	13	55.4 Å²	55.4	9%	0.088	29%	0.292	C	S	.	.			trans	-113.8	155.8	168.9	63.6	0	0	0	0	112.5	Q70 E91 S92 P93 F763	Q70-C765 HydrophobicContact CB-CB 4.01Å; Q70-C765 HydrophobicContact CG-CB 4.34Å; E91-C765 PolarHBondContact O-N 3.3Å; S92-C765 PolarHBondContact OG-SG 3Å; S92-C765 VanDerWaalsContact OG-SG 3.39Å; P93-C765 WeakPolarHBondContact CD-O 3.45Å; F763-C765 HydrophobicContact CE1-CB 3.69Å; F763-C765 HydrophobicContact CZ-CB 3.69Å
766	D	83.3	Confident	89.8	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.374	29%	0.285	S	S	.	.			trans	-73.8	171	173.6	-116.5	-22	0	0	0	111.6	Q70	Q70-D766 WeakPolarHBondContact CG-O 3.5Å
767	H	84.4	Confident	89.9	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.028	26%	0.259	C	S	.	.			trans	-73.6	153.2	174.8	-157	-62.5	0	0	0	111.4	Q70 T94 I769 I969 W997	Q70-H767 PolarHBondContact NE2-O 3.47Å; T94-H767 PolarHBondContact O-NE2 3.16Å; T94-H767 VanDerWaalsContact O-NE2 3.07Å; H767-I769 HydrophobicContact CB-CG1 4.18Å; H767-I769 WeakPolarHBondContact ND1-CG1 3.4Å; H767-I769 PolarHBondContact ND1-N 3.35Å; H767-I769 PolarHBondContact O-N 3Å; H767-I969 VanDerWaalsContact CE1-CG2 3.48Å; H767-I969 WeakPolarHBondContact CE1-CG2 3.38Å; H767-W997 HydrophobicContact CB-CB 3.96Å; H767-W997 HydrophobicContact CB-CD2 3.76Å; H767-W997 HydrophobicContact CB-CE3 4.05Å; H767-W997 HydrophobicContact CB-CG 3.7Å; H767-W997 AromaticContact CD2-CD2 3.89Å; H767-W997 AromaticContact CD2-CE2 3.71Å; H767-W997 AromaticContact CD2-CE3 3.98Å; H767-W997 AromaticContact CD2-CH2 3.82Å; H767-W997 AromaticContact CD2-CZ2 3.72Å; H767-W997 AromaticContact CD2-CZ3 3.91Å
768	V	82.8	Confident	90.1	Very high	22 Å²	22	43.5 Å²	43.5	13%	0.133	22%	0.223	C	C	.	.	S	Bend	trans	-68.6	-17.9	175.4	180	0	0	0	0	113.2	Y68 T96 A972	Y68-V768 HydrophobicContact CD1-CG1 3.7Å; Y68-V768 HydrophobicContact CD2-CB 4.34Å; Y68-V768 HydrophobicContact CD2-CG1 3.57Å; Y68-V768 HydrophobicContact CD2-CG2 3.73Å; Y68-V768 HydrophobicContact CE1-CG1 3.77Å; Y68-V768 HydrophobicContact CE2-CG1 3.64Å; Y68-V768 HydrophobicContact CE2-CG2 4.33Å; Y68-V768 HydrophobicContact CG-CG1 3.61Å; Y68-V768 HydrophobicContact CG-CG2 4.09Å; T96-V768 HydrophobicContact CG2-CG2 4.13Å; V768-A972 HydrophobicContact CG1-CB 3.69Å
769	I	85.1	Confident	90.1	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.056	19%	0.193	C	C	.	.	S	Bend	trans	-85.6	156.5	-176.7	62.1	147.7	0	0	0	111	H767 A771 Q774 L775 I969 W997	H767-I769 HydrophobicContact CB-CG1 4.18Å; H767-I769 WeakPolarHBondContact ND1-CG1 3.4Å; H767-I769 PolarHBondContact ND1-N 3.35Å; H767-I769 PolarHBondContact O-N 3Å; I769-A771 VanDerWaalsContact C-N 3.34Å; I769-A771 PolarHBondContact O-N 3.26Å; I769-Q774 HydrophobicContact CB-CB 4.34Å; I769-Q774 HydrophobicContact CD1-CB 3.95Å; I769-L775 HydrophobicContact CD1-CB 4Å; I769-I969 HydrophobicContact CD1-CD1 3.74Å; I769-I969 HydrophobicContact CD1-CG2 4.12Å; I769-I969 HydrophobicContact CG1-CG2 4.32Å; I769-I969 HydrophobicContact CG2-CG2 3.67Å; I769-W997 HydrophobicContact CD1-CE3 4.28Å; I769-W997 HydrophobicContact CD1-CZ3 4.08Å; I769-W997 HydrophobicContact CG1-CE3 4.49Å
770	N	86.1	Confident	90	Very high	77 Å²	77	34.5 Å²	34.5	41%	0.412	18%	0.177	S	C	.	.			trans	-75.6	91.9	164	-170.9	-32.8	0	0	0	109	K772 K773 Q774	N770-K772 PolarHBondContact O-N 3.09Å; N770-K772 VanDerWaalsContact O-N 3.09Å; N770-K772 PolarHBondContact OD1-N 2.98Å; N770-K773 HydrophobicContact CB-CB 4.32Å; N770-K773 PolarHBondContact O-N 3.15Å; N770-Q774 PolarHBondContact O-N 2.95Å
771	A	84.9	Confident	89.5	Confident	6 Å²	6	33.6 Å²	33.6	5%	0.05	17%	0.173	C	C	.	.	H	α-helix	trans	-49.4	-39.3	-176.2	0	0	0	0	0	113.3	I769 K773 L775 W997 S1001	I769-A771 VanDerWaalsContact C-N 3.34Å; I769-A771 PolarHBondContact O-N 3.26Å; A771-K773 VanDerWaalsContact C-N 3.31Å; A771-K773 PolarHBondContact O-N 3.05Å; A771-L775 PolarHBondContact O-N 3.15Å; A771-L775 VanDerWaalsContact O-N 3.17Å; A771-W997 HydrophobicContact CB-CB 4.34Å; A771-W997 VanDerWaalsContact CB-O 3.31Å; A771-W997 WeakPolarHBondContact CB-O 3.35Å; A771-S1001 VanDerWaalsContact C-OG 3.27Å; A771-S1001 PolarHBondContact O-OG 2.63Å
772	K	85	Confident	88.9	Confident	154 Å²	154	31.8 Å²	31.8	67%	0.67	16%	0.162	S	C	*	.	H	α-helix	trans	-69.6	-24.5	-179.3	-66.4	-177.1	179.3	178.8	0	114.3	N770	N770-K772 PolarHBondContact O-N 3.09Å; N770-K772 VanDerWaalsContact O-N 3.09Å; N770-K772 PolarHBondContact OD1-N 2.98Å
773	K	87.2	Confident	88	Confident	140 Å²	140	30.8 Å²	30.8	61%	0.609	15%	0.152	S	C	*	.	H	α-helix	trans	-102.3	-36	-177.2	-67	-172.6	178.5	-174.4	0	112.8	N770 A771 F1037 N1041	N770-K773 HydrophobicContact CB-CB 4.32Å; N770-K773 PolarHBondContact O-N 3.15Å; A771-K773 VanDerWaalsContact C-N 3.31Å; A771-K773 PolarHBondContact O-N 3.05Å; K773-F1037 WeakPolarHBondContact O-CE2 3.15Å; K773-N1041 PolarHBondContact O-ND2 2.92Å; K773-N1041 PolarHBondContact O-OD1 3.41Å
774	Q	91	Very high	86.7	Confident	28 Å²	28	32.4 Å²	32.4	13%	0.131	17%	0.165	C	C	.	.	H	α-helix	trans	-108.3	-11.1	-167.5	-67	174.3	-88.7	0	0	113.8	I769 N770 A972 D974 Y975 A976 F1037	I769-Q774 HydrophobicContact CB-CB 4.34Å; I769-Q774 HydrophobicContact CD1-CB 3.95Å; N770-Q774 PolarHBondContact O-N 2.95Å; Q774-A972 PolarHBondContact NE2-O 3.41Å; Q774-D974 WeakPolarHBondContact CB-O 3.18Å; Q774-D974 PolarHBondContact NE2-O 3.41Å; Q774-Y975 CarbonylContact O-C 3.6Å; Q774-Y975 WeakPolarHBondContact O-CA 3.33Å; Q774-Y975 VanDerWaalsContact O-CB 3.25Å; Q774-Y975 WeakPolarHBondContact O-CB 3.49Å; Q774-A976 PolarHBondContact O-N 3.16Å; Q774-F1037 WeakPolarHBondContact O-CZ 3.26Å
775	L	92.8	Very high	85.1	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.7	170.8	175.1	65.6	0	0	0	109	I769 A771 V777 I969 A976 V978 W997 V998 S1001	I769-L775 HydrophobicContact CD1-CB 4Å; A771-L775 PolarHBondContact O-N 3.15Å; A771-L775 VanDerWaalsContact O-N 3.17Å; L775-V777 HydrophobicContact CD1-CG2 4Å; L775-V777 HydrophobicContact CD2-CG2 3.79Å; L775-V777 HydrophobicContact CG-CG2 3.82Å; L775-I969 HydrophobicContact CB-CD1 3.89Å; L775-I969 HydrophobicContact CD1-CD1 3.82Å; L775-I969 HydrophobicContact CD2-CD1 4.37Å; L775-I969 HydrophobicContact CG-CD1 4.21Å; L775-A976 WeakPolarHBondContact CA-O 3.27Å; L775-V978 HydrophobicContact CD1-CG2 3.74Å; L775-W997 HydrophobicContact CB-CZ3 4.42Å; L775-W997 HydrophobicContact CD2-CE3 3.7Å; L775-W997 HydrophobicContact CD2-CH2 4Å; L775-W997 HydrophobicContact CD2-CZ3 3.26Å; L775-W997 HydrophobicContact CG-CZ3 4.33Å; L775-V998 HydrophobicContact CD2-CB 4.47Å; L775-V998 HydrophobicContact CD2-CG1 4.4Å; L775-V998 HydrophobicContact CD2-CG2 4.23Å; L775-S1001 WeakPolarHBondContact CB-OG 3.46Å; L775-S1001 VanDerWaalsContact O-CB 3.23Å; L775-S1001 WeakPolarHBondContact O-CB 3.19Å; L775-S1001 PolarHBondContact O-OG 3.24Å
776	A	93.8	Very high	83.4	Confident	3 Å²	3	38.3 Å²	38.3	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.3	169.2	0	0	0	0	0	109.6	Y778 A976 A977 V978 F1037	A776-Y778 HydrophobicContact CB-CE2 3.6Å; A776-Y778 VanDerWaalsContact CB-OH 3.25Å; A776-Y778 WeakPolarHBondContact CB-OH 3.2Å; A776-A976 PolarHBondContact N-O 3.42Å; A776-A977 CarbonylContact O-C 3.6Å; A776-A977 WeakPolarHBondContact O-CA 3.41Å; A776-V978 PolarHBondContact O-N 2.98Å; A776-F1037 HydrophobicContact CB-CD1 4.47Å; A776-F1037 HydrophobicContact CB-CD2 3.81Å; A776-F1037 HydrophobicContact CB-CE2 3.91Å; A776-F1037 HydrophobicContact CB-CG 4.09Å; A776-F1037 HydrophobicContact CB-CZ 4.33Å
777	V	94.3	Very high	81.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.2	-179.2	-175.7	0	0	0	0	108.9	L775 P779 V978 L980 V998 S1001 V1002 I1003	L775-V777 HydrophobicContact CD1-CG2 4Å; L775-V777 HydrophobicContact CD2-CG2 3.79Å; L775-V777 HydrophobicContact CG-CG2 3.82Å; V777-P779 WeakPolarHBondContact O-CD 3Å; V777-V978 CarbonylContact C-O 3.59Å; V777-V978 WeakPolarHBondContact CA-O 3.46Å; V777-V978 HydrophobicContact CG1-CB 4.4Å; V777-V978 HydrophobicContact CG1-CG1 4.48Å; V777-V978 HydrophobicContact CG2-CB 4.25Å; V777-L980 HydrophobicContact CG1-CD1 3.6Å; V777-L980 HydrophobicContact CG1-CG 3.96Å; V777-V998 HydrophobicContact CG2-CG1 3.88Å; V777-S1001 PolarHBondContact N-O 2.78Å; V777-V1002 HydrophobicContact CB-CG2 4.28Å; V777-V1002 HydrophobicContact CG1-CG2 4.31Å; V777-I1003 PolarHBondContact O-N 3.38Å
778	Y	94.1	Very high	80.2	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	101.5	-176.4	-55	-80.5	0	0	0	110	A776 L780 A977 V978 F979 L980 I1003 L1025 A1030 H1033 A1034	A776-Y778 HydrophobicContact CB-CE2 3.6Å; A776-Y778 VanDerWaalsContact CB-OH 3.25Å; A776-Y778 WeakPolarHBondContact CB-OH 3.2Å; Y778-L780 PolarHBondContact O-N 3.19Å; Y778-A977 HydrophobicContact CE2-CB 4.09Å; Y778-V978 PolarHBondContact N-O 3.31Å; Y778-F979 AromaticContact CD2-CD1 3.98Å; Y778-F979 HydrophobicContact CD2-CD1 3.98Å; Y778-F979 AromaticContact CD2-CE1 3.62Å; Y778-F979 HydrophobicContact CD2-CE1 3.62Å; Y778-F979 HydrophobicContact CD2-CE2 4.22Å; Y778-F979 HydrophobicContact CD2-CG 4.45Å; Y778-F979 AromaticContact CD2-CZ 3.75Å; Y778-F979 HydrophobicContact CD2-CZ 3.75Å; Y778-F979 HydrophobicContact CE2-CE1 4.36Å; Y778-F979 HydrophobicContact CE2-CZ 4.11Å; Y778-F979 HydrophobicContact CG-CD1 4.12Å; Y778-F979 AromaticContact CG-CE1 3.86Å; Y778-F979 HydrophobicContact CG-CE1 3.86Å; Y778-F979 HydrophobicContact CG-CZ 4.42Å; Y778-F979 WeakPolarHBondContact O-CA 3.43Å; Y778-L980 PolarHBondContact O-N 2.65Å; Y778-I1003 HydrophobicContact CD1-CB 3.95Å; Y778-I1003 HydrophobicContact CD1-CG1 3.93Å; Y778-I1003 HydrophobicContact CD1-CG2 4.33Å; Y778-I1003 HydrophobicContact CE1-CB 4.09Å; Y778-I1003 HydrophobicContact CE1-CG1 3.66Å; Y778-I1003 HydrophobicContact CE1-CG2 4.3Å; Y778-L1025 HydrophobicContact CD1-CD2 3.83Å; Y778-A1030 HydrophobicContact CD1-CB 3.97Å; Y778-A1030 HydrophobicContact CG-CB 4.29Å; Y778-H1033 HydrophobicContact CE1-CB 4.04Å; Y778-H1033 AromaticContact CE1-ND1 3.5Å; Y778-H1033 WeakPolarHBondContact CE1-ND1 3.37Å; Y778-H1033 AromaticContact CZ-ND1 3.59Å; Y778-H1033 PolarHBondContact OH-ND1 2.84Å; Y778-A1034 HydrophobicContact CE2-CB 4Å; Y778-A1034 VanDerWaalsContact OH-CA 3.25Å; Y778-A1034 WeakPolarHBondContact OH-CA 3.46Å; Y778-A1034 PolarHBondContact OH-N 3.2Å
779	P	92.4	Very high	79	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.019	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.7	170.4	-12.4	28.6	0	0	0	109.4	V777 Y986 V1002	V777-P779 WeakPolarHBondContact O-CD 3Å; P779-Y986 HydrophobicContact CB-CD2 4.18Å; P779-Y986 HydrophobicContact CB-CE2 3.58Å; P779-Y986 WeakPolarHBondContact O-CE2 3.38Å; P779-Y986 PolarHBondContact O-OH 3.44Å; P779-V1002 HydrophobicContact CG-CG1 3.61Å
780	L	90.6	Very high	77.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	100.1	177.3	-62.7	-177.7	0	0	0	109.1	Y778 L794 V813 F979 L980 M981 D982 L1027 A1030	Y778-L780 PolarHBondContact O-N 3.19Å; L780-L794 HydrophobicContact CB-CD1 4.34Å; L780-V813 HydrophobicContact CD1-CG1 3.91Å; L780-F979 HydrophobicContact CD1-CB 4.35Å; L780-F979 HydrophobicContact CD1-CD1 3.74Å; L780-F979 HydrophobicContact CD1-CG 4.47Å; L780-F979 HydrophobicContact CG-CD1 4.22Å; L780-L980 PolarHBondContact N-O 2.89Å; L780-M981 HydrophobicContact CB-CG 4.39Å; L780-M981 HydrophobicContact CD1-CG 4.18Å; L780-D982 PolarHBondContact O-N 3.35Å; L780-L1027 HydrophobicContact CD1-CD1 3.91Å; L780-L1027 HydrophobicContact CD2-CD1 4.45Å; L780-A1030 HydrophobicContact CD2-CB 3.95Å
781	G	84.9	Confident	77.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.288	C	S	.	.			trans	-98.4	-8.1	-179.5	0	0	0	0	0	114.5	S793 L794	G781-S793 CarbonylContact O-C 3.54Å; G781-S793 WeakPolarHBondContact O-CA 3.42Å; G781-S793 PolarHBondContact O-OG 3.45Å; G781-L794 PolarHBondContact O-N 3.03Å
782	V	83.4	Confident	77.1	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146.8	-174.4	-58.9	0	0	0	0	110.3	V791 F792 F1024	V782-V791 HydrophobicContact CB-CG1 3.75Å; V782-V791 HydrophobicContact CG1-CG1 3.27Å; V782-F792 CarbonylContact C-O 3.53Å; V782-F792 WeakPolarHBondContact CA-O 3.33Å; V782-F1024 HydrophobicContact CB-CB 4.26Å; V782-F1024 HydrophobicContact CB-CG 4.48Å; V782-F1024 HydrophobicContact CG1-CB 3.69Å; V782-F1024 HydrophobicContact CG1-CD1 4.05Å; V782-F1024 HydrophobicContact CG1-CD2 3.35Å; V782-F1024 HydrophobicContact CG1-CE2 3.91Å; V782-F1024 HydrophobicContact CG1-CG 3.43Å; V782-F1024 VanDerWaalsContact CG1-CG 3.43Å; V782-F1024 HydrophobicContact CG1-CZ 4.46Å; V782-F1024 HydrophobicContact CG2-CB 3.56Å; V782-F1024 HydrophobicContact CG2-CG 4.28Å
783	H	77.5	Confident	77.2	Confident	48 Å²	48	48.8 Å²	48.8	22%	0.222	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-53.7	176.6	178.5	65	0	0	0	111.9	F792 L794 A809 V813	H783-F792 HydrophobicContact CB-CD1 3.83Å; H783-F792 PolarHBondContact N-O 2.86Å; H783-L794 HydrophobicContact CB-CD2 4.09Å; H783-L794 HydrophobicContact CB-CG 4.41Å; H783-A809 HydrophobicContact CB-CB 4.18Å; H783-V813 WeakPolarHBondContact ND1-CG2 3.37Å
784	S	67.1	Low	77.3	Confident	46 Å²	46	42.1 Å²	42.1	32%	0.322	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	147.8	-176.9	60	0	0	0	0	111.2	Q786 F792	S784-Q786 PolarHBondContact O-N 3.35Å; S784-F792 PolarHBondContact O-N 3.49Å; S784-F792 VanDerWaalsContact O-N 3.13Å
785	H	59.5	Low	77.3	Confident	116 Å²	116	42.1 Å²	42.1	54%	0.537	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	114.6	158.2	-61.6	-72.5	0	0	0	107.4	N1026	H785-N1026 PolarHBondContact NE2-ND2 3.35Å; H785-N1026 VanDerWaalsContact NE2-ND2 3.18Å; H785-N1026 PolarHBondContact NE2-OD1 2.6Å
786	Q	52.3	Low	77.3	Confident	70 Å²	70	42.4 Å²	42.4	33%	0.327	25%	0.248	S	C	.	.			trans	-70.5	155.8	175.3	-61.5	180	-15.2	0	0	109.7	S784 N788 G789 E790 F792	S784-Q786 PolarHBondContact O-N 3.35Å; Q786-N788 WeakPolarHBondContact CB-OD1 3.39Å; Q786-N788 PolarHBondContact O-N 3.41Å; Q786-N788 VanDerWaalsContact O-N 3.17Å; Q786-N788 PolarHBondContact OE1-OD1 3.02Å; Q786-G789 PolarHBondContact O-N 3.03Å; Q786-E790 WeakPolarHBondContact CA-O 3.47Å; Q786-E790 HydrophobicContact CB-CB 4.45Å; Q786-E790 WeakPolarHBondContact CB-O 3.49Å; Q786-E790 WeakPolarHBondContact CG-O 3.47Å; Q786-E790 PolarHBondContact N-O 3.48Å; Q786-E790 PolarHBondContact OE1-OE2 3.33Å; Q786-F792 HydrophobicContact CG-CB 4.47Å
787	S	46.5	Very low	77.1	Confident	139 Å²	139	44 Å²	44	97%	0.972	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.8	-176	49.3	0	0	0	0	114.5	G789	S787-G789 VanDerWaalsContact C-N 3.3Å
788	N	52.4	Low	76.6	Confident	98 Å²	98	52.5 Å²	52.5	52%	0.524	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.9	174.4	58.8	-6.6	0	0	0	113.3	Q786 E790	Q786-N788 WeakPolarHBondContact CB-OD1 3.39Å; Q786-N788 PolarHBondContact O-N 3.41Å; Q786-N788 VanDerWaalsContact O-N 3.17Å; Q786-N788 PolarHBondContact OE1-OD1 3.02Å; N788-E790 VanDerWaalsContact C-N 3.29Å; N788-E790 VanDerWaalsContact ND2-CD 3.34Å; N788-E790 PolarHBondContact ND2-OE2 3.18Å; N788-E790 WeakPolarHBondContact OD1-CB 3.27Å; N788-E790 PolarHBondContact OD1-N 3.08Å; N788-E790 VanDerWaalsContact OD1-N 3.08Å
789	G	58.4	Low	76.2	Confident	62 Å²	62	60.5 Å²	60.5	64%	0.639	33%	0.328	S	S	*	.	S	Bend	trans	85.3	-5.7	-174.3	0	0	0	0	0	114.2	Q786 S787	Q786-G789 PolarHBondContact O-N 3.03Å; S787-G789 VanDerWaalsContact C-N 3.3Å
790	E	62	Low	76	Confident	122 Å²	122	63.4 Å²	63.4	57%	0.57	34%	0.344	S	S	*	.			trans	-73.8	141.2	176.3	-66.7	-175.3	155.3	0	0	110.7	Q786 N788	Q786-E790 WeakPolarHBondContact CA-O 3.47Å; Q786-E790 HydrophobicContact CB-CB 4.45Å; Q786-E790 WeakPolarHBondContact CB-O 3.49Å; Q786-E790 WeakPolarHBondContact CG-O 3.47Å; Q786-E790 PolarHBondContact N-O 3.48Å; Q786-E790 PolarHBondContact OE1-OE2 3.33Å; N788-E790 VanDerWaalsContact C-N 3.29Å; N788-E790 VanDerWaalsContact ND2-CD 3.34Å; N788-E790 PolarHBondContact ND2-OE2 3.18Å; N788-E790 WeakPolarHBondContact OD1-CB 3.27Å; N788-E790 PolarHBondContact OD1-N 3.08Å; N788-E790 VanDerWaalsContact OD1-N 3.08Å
791	V	72.3	Confident	75.9	Confident	66 Å²	66	65.6 Å²	65.6	40%	0.4	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.9	-178.5	-178.9	0	0	0	0	108.4	V782 S793	V782-V791 HydrophobicContact CB-CG1 3.75Å; V782-V791 HydrophobicContact CG1-CG1 3.27Å; V791-S793 PolarHBondContact O-N 3.22Å
792	F	81.8	Confident	76.1	Confident	39 Å²	39	69.1 Å²	69.1	17%	0.171	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	95.4	175.4	-168.3	-93.2	0	0	0	109.7	V782 H783 S784 Q786 H805 M806 A809	V782-F792 CarbonylContact C-O 3.53Å; V782-F792 WeakPolarHBondContact CA-O 3.33Å; H783-F792 HydrophobicContact CB-CD1 3.83Å; H783-F792 PolarHBondContact N-O 2.86Å; S784-F792 PolarHBondContact O-N 3.49Å; S784-F792 VanDerWaalsContact O-N 3.13Å; Q786-F792 HydrophobicContact CG-CB 4.47Å; F792-H805 HydrophobicContact CE2-CB 4.16Å; F792-H805 HydrophobicContact CZ-CB 4.01Å; F792-M806 HydrophobicContact CE1-CE 4.01Å; F792-M806 HydrophobicContact CE1-SD 4.03Å; F792-M806 HydrophobicContact CZ-CE 3.97Å; F792-M806 HydrophobicContact CZ-SD 4.44Å; F792-A809 HydrophobicContact CD1-CB 4.23Å; F792-A809 HydrophobicContact CE1-CB 3.69Å
793	S	86.3	Confident	76.5	Confident	39 Å²	39	71.9 Å²	71.9	27%	0.273	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133	179.8	-171.5	0	0	0	0	111.4	G781 V791 D795 M806 N983	G781-S793 CarbonylContact O-C 3.54Å; G781-S793 WeakPolarHBondContact O-CA 3.42Å; G781-S793 PolarHBondContact O-OG 3.45Å; V791-S793 PolarHBondContact O-N 3.22Å; S793-D795 PolarHBondContact O-N 3.34Å; S793-D795 VanDerWaalsContact O-N 3.16Å; S793-M806 WeakPolarHBondContact O-CE 3.41Å; S793-N983 VanDerWaalsContact OG-CB 3.28Å; S793-N983 WeakPolarHBondContact OG-CB 3.43Å; S793-N983 PolarHBondContact OG-ND2 3.19Å
794	L	89.9	Confident	77.2	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.398	C	S	.	.			trans	-79	93.8	175.1	-68.9	176.2	0	0	0	109.8	L780 G781 H783 F796 M806 A809 M981 D982 N983	L780-L794 HydrophobicContact CB-CD1 4.34Å; G781-L794 PolarHBondContact O-N 3.03Å; H783-L794 HydrophobicContact CB-CD2 4.09Å; H783-L794 HydrophobicContact CB-CG 4.41Å; L794-F796 HydrophobicContact CB-CE2 3.99Å; L794-F796 HydrophobicContact CD2-CE2 4.42Å; L794-F796 HydrophobicContact CD2-CZ 4.34Å; L794-M806 HydrophobicContact CD2-SD 3.91Å; L794-A809 HydrophobicContact CD2-CB 4.37Å; L794-M981 HydrophobicContact CD1-CE 4.29Å; L794-D982 CarbonylContact O-C 3.52Å; L794-D982 WeakPolarHBondContact O-CA 2.88Å; L794-N983 PolarHBondContact O-N 3.39Å
795	D	91.2	Very high	78.3	Confident	28 Å²	28	76.2 Å²	76.2	15%	0.15	41%	0.411	C	S	.	.			trans	-114.2	104.2	178.6	-178	2	0	0	0	110.9	S793 T797 N800 M806	S793-D795 PolarHBondContact O-N 3.34Å; S793-D795 VanDerWaalsContact O-N 3.16Å; D795-T797 VanDerWaalsContact C-N 3.33Å; D795-T797 VanDerWaalsContact CG-OG1 3.25Å; D795-T797 VanDerWaalsContact OD1-CB 3.23Å; D795-T797 WeakPolarHBondContact OD1-CB 3.44Å; D795-T797 WeakPolarHBondContact OD1-CG2 3.39Å; D795-T797 PolarHBondContact OD1-N 3.44Å; D795-T797 PolarHBondContact OD1-OG1 3.16Å; D795-T797 PolarHBondContact OD2-OG1 2.86Å; D795-N800 HydrophobicContact CB-CB 4.4Å; D795-N800 WeakPolarHBondContact O-CB 3.27Å; D795-N800 PolarHBondContact OD2-ND2 3.49Å; D795-M806 HydrophobicContact CB-CE 4.39Å
796	F	92.1	Very high	79.8	Confident	9 Å²	9	71 Å²	71	4%	0.039	39%	0.387	C	S	.	.			trans	-95.9	26.9	178.1	-61.2	-83.5	0	0	0	112.7	L794 M806 C810 Y834 I915 M981 D982	L794-F796 HydrophobicContact CB-CE2 3.99Å; L794-F796 HydrophobicContact CD2-CE2 4.42Å; L794-F796 HydrophobicContact CD2-CZ 4.34Å; F796-M806 HydrophobicContact CD1-CG 4.1Å; F796-M806 HydrophobicContact CE1-CG 3.86Å; F796-M806 HydrophobicContact CE1-SD 4.38Å; F796-M806 HydrophobicContact CZ-CG 4.4Å; F796-M806 HydrophobicContact CZ-SD 4.35Å; F796-C810 HydrophobicContact CE1-CB 3.97Å; F796-C810 HydrophobicContact CZ-CB 3.87Å; F796-Y834 HydrophobicContact CD1-CE1 4.33Å; F796-Y834 WeakPolarHBondContact CD1-OH 3.41Å; F796-I915 HydrophobicContact CD1-CG2 3.81Å; F796-I915 HydrophobicContact CD2-CG2 4.36Å; F796-I915 HydrophobicContact CE1-CG2 3.64Å; F796-I915 HydrophobicContact CE2-CG2 4.21Å; F796-I915 HydrophobicContact CG-CG2 4.17Å; F796-I915 HydrophobicContact CZ-CG2 3.85Å; F796-M981 WeakPolarHBondContact CD2-O 3.3Å; F796-M981 HydrophobicContact CE2-CB 4.08Å; F796-M981 WeakPolarHBondContact CE2-O 3.49Å; F796-M981 HydrophobicContact CZ-CE 4.39Å; F796-D982 HydrophobicContact CD2-CB 4.45Å; F796-D982 PolarHBondContact N-OD2 2.92Å
797	T	89.6	Confident	81.7	Confident	37 Å²	37	68 Å²	68	23%	0.227	37%	0.373	C	S	.	.	S	Bend	trans	-61.1	156.9	167.1	53.7	0	0	0	0	111.4	D795 Q799 N800 R801	D795-T797 VanDerWaalsContact C-N 3.33Å; D795-T797 VanDerWaalsContact CG-OG1 3.25Å; D795-T797 VanDerWaalsContact OD1-CB 3.23Å; D795-T797 WeakPolarHBondContact OD1-CB 3.44Å; D795-T797 WeakPolarHBondContact OD1-CG2 3.39Å; D795-T797 PolarHBondContact OD1-N 3.44Å; D795-T797 PolarHBondContact OD1-OG1 3.16Å; D795-T797 PolarHBondContact OD2-OG1 2.86Å; T797-Q799 PolarHBondContact O-N 3.32Å; T797-Q799 VanDerWaalsContact O-N 3.12Å; T797-N800 PolarHBondContact O-N 3.49Å; T797-R801 VanDerWaalsContact O-CB 3.28Å; T797-R801 WeakPolarHBondContact O-CB 3.36Å; T797-R801 WeakPolarHBondContact O-CG 3.22Å; T797-R801 PolarHBondContact O-N 3.49Å
798	Y	84.4	Confident	84	Confident	178 Å²	178	63 Å²	63	70%	0.698	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-37	-176.1	-178.1	-92.2	0	0	0	113.5	R801	Y798-R801 VanDerWaalsContact CD2-NH2 3.27Å; Y798-R801 VanDerWaalsContact CE2-NH2 3.34Å
799	Q	85.2	Confident	85.8	Confident	168 Å²	168	58.7 Å²	58.7	79%	0.785	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-35.4	179.8	-65.6	173.7	-4.4	0	0	112.6	T797	T797-Q799 PolarHBondContact O-N 3.32Å; T797-Q799 VanDerWaalsContact O-N 3.12Å
800	N	88.3	Confident	87.5	Confident	64 Å²	64	55.7 Å²	55.7	34%	0.342	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-21.8	-171	-71.1	-18.2	0	0	0	113.7	D795 T797 S802 N803	D795-N800 HydrophobicContact CB-CB 4.4Å; D795-N800 WeakPolarHBondContact O-CB 3.27Å; D795-N800 PolarHBondContact OD2-ND2 3.49Å; T797-N800 PolarHBondContact O-N 3.49Å; N800-S802 VanDerWaalsContact C-N 3.26Å; N800-S802 PolarHBondContact O-N 2.98Å; N800-N803 WeakPolarHBondContact O-CB 3.29Å; N800-N803 PolarHBondContact O-N 3.27Å
801	R	89.2	Confident	89.1	Confident	46 Å²	46	49.9 Å²	49.9	17%	0.174	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.1	-173.3	71.3	-177.3	-176.6	168.6	9.2	114.4	T797 Y798 N803 Y834	T797-R801 VanDerWaalsContact O-CB 3.28Å; T797-R801 WeakPolarHBondContact O-CB 3.36Å; T797-R801 WeakPolarHBondContact O-CG 3.22Å; T797-R801 PolarHBondContact O-N 3.49Å; Y798-R801 VanDerWaalsContact CD2-NH2 3.27Å; Y798-R801 VanDerWaalsContact CE2-NH2 3.34Å; R801-N803 VanDerWaalsContact C-N 3.32Å; R801-Y834 HydrophobicContact CB-CE2 3.71Å; R801-Y834 HydrophobicContact CG-CD2 4.24Å; R801-Y834 HydrophobicContact CG-CE2 3.83Å; R801-Y834 VanDerWaalsContact O-CE2 3.23Å; R801-Y834 WeakPolarHBondContact O-CE2 3.46Å; R801-Y834 PolarHBondContact O-OH 3.12Å
802	S	88.5	Confident	90.1	Very high	74 Å²	74	49.5 Å²	49.5	52%	0.517	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.7	177.1	51.3	0	0	0	0	113.1	N800 P804	N800-S802 VanDerWaalsContact C-N 3.26Å; N800-S802 PolarHBondContact O-N 2.98Å; S802-P804 WeakPolarHBondContact O-CD 3.27Å
803	N	92	Very high	90.6	Very high	61 Å²	61	47.7 Å²	47.7	33%	0.326	24%	0.242	S	C	.	.			trans	-61.4	122.2	175.3	-177	-19.5	0	0	0	109.5	N800 R801 H805 M806 I807	N800-N803 WeakPolarHBondContact O-CB 3.29Å; N800-N803 PolarHBondContact O-N 3.27Å; R801-N803 VanDerWaalsContact C-N 3.32Å; N803-H805 PolarHBondContact O-N 2.8Å; N803-H805 PolarHBondContact OD1-N 3.5Å; N803-M806 HydrophobicContact CB-CB 4.11Å; N803-M806 VanDerWaalsContact O-CB 3.3Å; N803-M806 WeakPolarHBondContact O-CB 3.35Å; N803-M806 PolarHBondContact O-N 2.69Å; N803-I807 PolarHBondContact O-N 3.33Å
804	P	91.7	Very high	91	Very high	57 Å²	57	45.8 Å²	45.8	37%	0.37	23%	0.229	S	C	.	.	H	α-helix	trans	-53.8	-39.2	-179.8	-26.8	34.5	0	0	0	113.7	S802 M806 I807 D808	S802-P804 WeakPolarHBondContact O-CD 3.27Å; P804-M806 VanDerWaalsContact C-N 3.29Å; P804-M806 PolarHBondContact O-N 3.38Å; P804-I807 PolarHBondContact O-N 2.67Å; P804-D808 WeakPolarHBondContact O-CB 3.23Å; P804-D808 PolarHBondContact O-N 2.91Å
805	H	90.6	Very high	91.2	Very high	127 Å²	127	46.1 Å²	46.1	59%	0.588	23%	0.23	S	C	*	.	H	α-helix	trans	-64.5	-33.8	178.1	-64.3	-66.7	0	0	0	112.5	F792 N803 A809	F792-H805 HydrophobicContact CE2-CB 4.16Å; F792-H805 HydrophobicContact CZ-CB 4.01Å; N803-H805 PolarHBondContact O-N 2.8Å; N803-H805 PolarHBondContact OD1-N 3.5Å; H805-A809 WeakPolarHBondContact O-CB 3.28Å; H805-A809 PolarHBondContact O-N 3.46Å
806	M	91	Very high	91.3	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.034	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-43	176.2	-169.5	63.1	61.1	0	0	111.2	F792 S793 L794 D795 F796 N803 P804 C810	F792-M806 HydrophobicContact CE1-CE 4.01Å; F792-M806 HydrophobicContact CE1-SD 4.03Å; F792-M806 HydrophobicContact CZ-CE 3.97Å; F792-M806 HydrophobicContact CZ-SD 4.44Å; S793-M806 WeakPolarHBondContact O-CE 3.41Å; L794-M806 HydrophobicContact CD2-SD 3.91Å; D795-M806 HydrophobicContact CB-CE 4.39Å; F796-M806 HydrophobicContact CD1-CG 4.1Å; F796-M806 HydrophobicContact CE1-CG 3.86Å; F796-M806 HydrophobicContact CE1-SD 4.38Å; F796-M806 HydrophobicContact CZ-CG 4.4Å; F796-M806 HydrophobicContact CZ-SD 4.35Å; N803-M806 HydrophobicContact CB-CB 4.11Å; N803-M806 VanDerWaalsContact O-CB 3.3Å; N803-M806 WeakPolarHBondContact O-CB 3.35Å; N803-M806 PolarHBondContact O-N 2.69Å; P804-M806 VanDerWaalsContact C-N 3.29Å; P804-M806 PolarHBondContact O-N 3.38Å; M806-C810 VanDerWaalsContact O-CB 3.29Å; M806-C810 WeakPolarHBondContact O-CB 3.41Å; M806-C810 PolarHBondContact O-N 3.44Å
807	I	93.3	Very high	91.4	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-43.1	179.4	-61.7	164.7	0	0	0	110.7	N803 P804 C810 G811 I837 L838 R841 W842	N803-I807 PolarHBondContact O-N 3.33Å; P804-I807 PolarHBondContact O-N 2.67Å; I807-C810 WeakPolarHBondContact O-CB 3.26Å; I807-C810 PolarHBondContact O-N 3.26Å; I807-G811 PolarHBondContact O-N 3.28Å; I807-I837 HydrophobicContact CD1-CG2 3.67Å; I807-L838 HydrophobicContact CB-CD2 4.25Å; I807-L838 HydrophobicContact CG1-CD2 4.14Å; I807-L838 HydrophobicContact CG2-CD2 3.62Å; I807-R841 HydrophobicContact CB-CG 4.1Å; I807-R841 HydrophobicContact CG2-CB 3.64Å; I807-R841 HydrophobicContact CG2-CG 3.43Å; I807-R841 VanDerWaalsContact CG2-CG 3.43Å; I807-W842 PolarHBondContact O-NE1 3.45Å
808	D	93.2	Very high	91.5	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-45.3	178.1	-63.5	-19.1	0	0	0	110.4	P804 C810 G811 E812 R841	P804-D808 WeakPolarHBondContact O-CB 3.23Å; P804-D808 PolarHBondContact O-N 2.91Å; D808-C810 VanDerWaalsContact C-N 3.31Å; D808-C810 PolarHBondContact O-N 3.23Å; D808-G811 PolarHBondContact O-N 3.21Å; D808-G811 VanDerWaalsContact O-N 3.16Å; D808-E812 WeakPolarHBondContact O-CG 3.41Å; D808-E812 PolarHBondContact O-N 3.01Å; D808-R841 WeakPolarHBondContact OD1-CG 3.37Å; D808-R841 IonicContact OD1-CZ 3.72Å; D808-R841 IonicContact OD1-NE 2.89Å; D808-R841 PolarHBondContact OD1-NE 2.81Å; D808-R841 IonicContact OD1-NH2 3.66Å; D808-R841 IonicContact OD2-CZ 3.55Å; D808-R841 IonicContact OD2-NE 3.5Å; D808-R841 PolarHBondContact OD2-NE 3.35Å; D808-R841 IonicContact OD2-NH2 2.74Å; D808-R841 PolarHBondContact OD2-NH2 2.99Å
809	A	91.8	Very high	91.9	Very high	8 Å²	8	41.5 Å²	41.5	7%	0.066	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-41.8	174.4	0	0	0	0	0	112.1	H783 F792 L794 H805 E812 V813	H783-A809 HydrophobicContact CB-CB 4.18Å; F792-A809 HydrophobicContact CD1-CB 4.23Å; F792-A809 HydrophobicContact CE1-CB 3.69Å; L794-A809 HydrophobicContact CD2-CB 4.37Å; H805-A809 WeakPolarHBondContact O-CB 3.28Å; H805-A809 PolarHBondContact O-N 3.46Å; A809-E812 PolarHBondContact O-N 3.25Å; A809-V813 VanDerWaalsContact O-CG2 3.27Å; A809-V813 WeakPolarHBondContact O-CG2 3.49Å; A809-V813 PolarHBondContact O-N 3.03Å
810	C	93.8	Very high	92.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-47	174.9	-178.5	0	0	0	0	111.8	F796 M806 I807 D808 E812 V813 I814 W842 M981	F796-C810 HydrophobicContact CE1-CB 3.97Å; F796-C810 HydrophobicContact CZ-CB 3.87Å; M806-C810 VanDerWaalsContact O-CB 3.29Å; M806-C810 WeakPolarHBondContact O-CB 3.41Å; M806-C810 PolarHBondContact O-N 3.44Å; I807-C810 WeakPolarHBondContact O-CB 3.26Å; I807-C810 PolarHBondContact O-N 3.26Å; D808-C810 VanDerWaalsContact C-N 3.31Å; D808-C810 PolarHBondContact O-N 3.23Å; C810-E812 PolarHBondContact O-N 3.16Å; C810-V813 PolarHBondContact O-N 2.81Å; C810-I814 WeakPolarHBondContact O-CG1 3.34Å; C810-I814 PolarHBondContact O-N 2.98Å; C810-W842 HydrophobicContact CB-CZ2 4.49Å; C810-M981 HydrophobicContact CB-CE 4.22Å
811	G	94.2	Very high	92.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-40.3	177.1	0	0	0	0	0	113	I807 D808 I814 L815	I807-G811 PolarHBondContact O-N 3.28Å; D808-G811 PolarHBondContact O-N 3.21Å; D808-G811 VanDerWaalsContact O-N 3.16Å; G811-I814 PolarHBondContact O-N 3.32Å; G811-L815 WeakPolarHBondContact O-CB 3.28Å; G811-L815 PolarHBondContact O-N 3Å
812	E	93.5	Very high	92	Very high	57 Å²	57	34.3 Å²	34.3	27%	0.266	18%	0.184	S	C	.	.	H	α-helix	trans	-66.5	-39	176.3	-72.1	-68.5	177.9	0	0	112.3	D808 A809 C810 L815 Q816 L847	D808-E812 WeakPolarHBondContact O-CG 3.41Å; D808-E812 PolarHBondContact O-N 3.01Å; A809-E812 PolarHBondContact O-N 3.25Å; C810-E812 PolarHBondContact O-N 3.16Å; E812-L815 PolarHBondContact O-N 2.97Å; E812-Q816 WeakPolarHBondContact O-CG 3.23Å; E812-Q816 PolarHBondContact O-N 2.96Å; E812-L847 HydrophobicContact CG-CD2 4.23Å; E812-L847 WeakPolarHBondContact OE1-CD2 3.25Å
813	V	93.4	Very high	92.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-47.4	171.9	173.3	0	0	0	0	110.8	L780 H783 A809 C810 L815 Q816 I817 M981 L1027	L780-V813 HydrophobicContact CD1-CG1 3.91Å; H783-V813 WeakPolarHBondContact ND1-CG2 3.37Å; A809-V813 VanDerWaalsContact O-CG2 3.27Å; A809-V813 WeakPolarHBondContact O-CG2 3.49Å; A809-V813 PolarHBondContact O-N 3.03Å; C810-V813 PolarHBondContact O-N 2.81Å; V813-L815 VanDerWaalsContact C-N 3.33Å; V813-L815 PolarHBondContact O-N 3.12Å; V813-Q816 PolarHBondContact O-N 3.45Å; V813-I817 HydrophobicContact CG1-CD1 3.81Å; V813-I817 VanDerWaalsContact O-CG1 3.32Å; V813-I817 WeakPolarHBondContact O-CG1 3.39Å; V813-I817 PolarHBondContact O-N 3.2Å; V813-M981 HydrophobicContact CB-CE 3.68Å; V813-M981 HydrophobicContact CB-SD 4.49Å; V813-M981 HydrophobicContact CG1-CE 3.68Å; V813-M981 HydrophobicContact CG1-SD 3.94Å; V813-M981 HydrophobicContact CG2-CE 4.07Å; V813-L1027 HydrophobicContact CB-CD2 4.12Å; V813-L1027 HydrophobicContact CG1-CD1 3.92Å; V813-L1027 HydrophobicContact CG1-CD2 4.04Å; V813-L1027 HydrophobicContact CG2-CD2 3.74Å
814	I	94.5	Very high	92.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-40.5	179.1	-67	165	0	0	0	110.9	C810 G811 I817 C818 V827 W842 I851 L889 I913 I915	C810-I814 WeakPolarHBondContact O-CG1 3.34Å; C810-I814 PolarHBondContact O-N 2.98Å; G811-I814 PolarHBondContact O-N 3.32Å; I814-I817 PolarHBondContact O-N 3.14Å; I814-C818 WeakPolarHBondContact O-CB 3.39Å; I814-C818 PolarHBondContact O-N 3.16Å; I814-C818 PolarHBondContact O-SG 2.84Å; I814-V827 HydrophobicContact CD1-CG1 4.35Å; I814-W842 HydrophobicContact CD1-CH2 3.38Å; I814-W842 HydrophobicContact CD1-CZ2 3.84Å; I814-W842 HydrophobicContact CD1-CZ3 4.28Å; I814-I851 HydrophobicContact CG2-CD1 4.24Å; I814-L889 HydrophobicContact CG2-CD1 4.42Å; I814-L889 HydrophobicContact CG2-CD2 3.96Å; I814-I913 HydrophobicContact CG1-CD1 4.21Å; I814-I915 HydrophobicContact CD1-CD1 3.96Å
815	L	94.5	Very high	92.2	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-48.1	175.8	177.3	61.5	0	0	0	111.2	G811 E812 V813 I817 C818 Q819 K850 I851 Y854	G811-L815 WeakPolarHBondContact O-CB 3.28Å; G811-L815 PolarHBondContact O-N 3Å; E812-L815 PolarHBondContact O-N 2.97Å; V813-L815 VanDerWaalsContact C-N 3.33Å; V813-L815 PolarHBondContact O-N 3.12Å; L815-I817 VanDerWaalsContact C-N 3.31Å; L815-I817 PolarHBondContact O-N 3.16Å; L815-C818 PolarHBondContact O-N 3.03Å; L815-Q819 HydrophobicContact CD1-CG 4.37Å; L815-Q819 VanDerWaalsContact O-CG 3.28Å; L815-Q819 WeakPolarHBondContact O-CG 3.45Å; L815-Q819 PolarHBondContact O-N 2.91Å; L815-K850 HydrophobicContact CD1-CB 3.95Å; L815-K850 HydrophobicContact CD2-CB 3.97Å; L815-K850 HydrophobicContact CD2-CD 3.95Å; L815-I851 HydrophobicContact CB-CG1 4.13Å; L815-I851 HydrophobicContact CD1-CG1 3.94Å; L815-Y854 HydrophobicContact CD1-CD2 4.25Å; L815-Y854 HydrophobicContact CD1-CE2 4.39Å
816	Q	93	Very high	92.4	Very high	63 Å²	63	19.8 Å²	19.8	29%	0.294	10%	0.103	S	C	.	.	H	α-helix	trans	-62.6	-38.4	178	-70.1	-177.2	20.7	0	0	112.3	E812 V813 Q820 L1027 L1031	E812-Q816 WeakPolarHBondContact O-CG 3.23Å; E812-Q816 PolarHBondContact O-N 2.96Å; V813-Q816 PolarHBondContact O-N 3.45Å; Q816-Q820 WeakPolarHBondContact O-CB 3.29Å; Q816-Q820 WeakPolarHBondContact O-CG 3.48Å; Q816-Q820 PolarHBondContact O-N 2.93Å; Q816-L1027 HydrophobicContact CB-CD2 4.46Å; Q816-L1031 HydrophobicContact CB-CD1 3.89Å
817	I	93.5	Very high	92.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.7	-46.6	173.5	-68.2	167.1	0	0	0	110.5	V813 I814 L815 Q819 Q820 L821 I825 V911 I913 F979 L1031	V813-I817 HydrophobicContact CG1-CD1 3.81Å; V813-I817 VanDerWaalsContact O-CG1 3.32Å; V813-I817 WeakPolarHBondContact O-CG1 3.39Å; V813-I817 PolarHBondContact O-N 3.2Å; I814-I817 PolarHBondContact O-N 3.14Å; L815-I817 VanDerWaalsContact C-N 3.31Å; L815-I817 PolarHBondContact O-N 3.16Å; I817-Q819 VanDerWaalsContact C-N 3.29Å; I817-Q819 PolarHBondContact O-N 3.37Å; I817-Q820 PolarHBondContact O-N 3.33Å; I817-Q820 VanDerWaalsContact O-N 3.15Å; I817-L821 HydrophobicContact CG2-CD1 3.76Å; I817-L821 HydrophobicContact CG2-CG 4.24Å; I817-L821 PolarHBondContact O-N 3.09Å; I817-I825 HydrophobicContact CG2-CD1 4.17Å; I817-V911 HydrophobicContact CG2-CG1 4.16Å; I817-I913 HydrophobicContact CB-CD1 4.37Å; I817-I913 HydrophobicContact CD1-CD1 3.67Å; I817-I913 HydrophobicContact CD1-CG1 4.34Å; I817-I913 HydrophobicContact CG2-CD1 4.01Å; I817-F979 HydrophobicContact CD1-CB 4.45Å; I817-F979 HydrophobicContact CD1-CD1 4.18Å; I817-F979 HydrophobicContact CD1-CD2 4.15Å; I817-F979 HydrophobicContact CD1-CE1 4.48Å; I817-F979 HydrophobicContact CD1-CE2 4.48Å; I817-F979 HydrophobicContact CD1-CG 3.99Å; I817-F979 HydrophobicContact CG2-CE2 4.48Å; I817-L1031 HydrophobicContact CB-CD2 4.43Å; I817-L1031 HydrophobicContact CG1-CD2 3.79Å
818	C	92.6	Very high	92.7	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.027	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-33.8	179.9	-71.1	0	0	0	0	113.2	I814 L815 Q820 K855	I814-C818 WeakPolarHBondContact O-CB 3.39Å; I814-C818 PolarHBondContact O-N 3.16Å; I814-C818 PolarHBondContact O-SG 2.84Å; L815-C818 PolarHBondContact O-N 3.03Å; C818-Q820 VanDerWaalsContact C-N 3.32Å; C818-K855 HydrophobicContact CB-CG 3.82Å; C818-K855 WeakPolarHBondContact O-CE 3.4Å
819	Q	91.5	Very high	92.7	Very high	87 Å²	87	17.7 Å²	17.7	41%	0.407	9%	0.092	S	C	.	.	H	α-helix	trans	-69.4	-29.8	177	-75.7	172.5	-10.7	0	0	113	L815 I817 Y854	L815-Q819 HydrophobicContact CD1-CG 4.37Å; L815-Q819 VanDerWaalsContact O-CG 3.28Å; L815-Q819 WeakPolarHBondContact O-CG 3.45Å; L815-Q819 PolarHBondContact O-N 2.91Å; I817-Q819 VanDerWaalsContact C-N 3.29Å; I817-Q819 PolarHBondContact O-N 3.37Å; Q819-Y854 HydrophobicContact CG-CD1 4.16Å; Q819-Y854 HydrophobicContact CG-CD2 3.85Å; Q819-Y854 HydrophobicContact CG-CE1 3.96Å; Q819-Y854 HydrophobicContact CG-CE2 3.65Å; Q819-Y854 HydrophobicContact CG-CG 4.11Å
820	Q	90	Very high	92.7	Very high	62 Å²	62	18.5 Å²	18.5	29%	0.29	10%	0.097	S	C	.	.	H	α-helix	trans	-110.2	-27.2	-164.4	-71.1	-165.8	51.2	0	0	114.1	Q816 I817 C818	Q816-Q820 WeakPolarHBondContact O-CB 3.29Å; Q816-Q820 WeakPolarHBondContact O-CG 3.48Å; Q816-Q820 PolarHBondContact O-N 2.93Å; I817-Q820 PolarHBondContact O-N 3.33Å; I817-Q820 VanDerWaalsContact O-N 3.15Å; C818-Q820 VanDerWaalsContact C-N 3.32Å
821	L	90.8	Very high	92.4	Very high	5 Å²	5	20 Å²	20	3%	0.026	11%	0.108	C	C	.	.	S	Bend	trans	-109.6	141.9	-173.4	-54.4	-172.6	0	0	0	112.2	I817 K855 V911 F979 A1034 K1035 F1038	I817-L821 HydrophobicContact CG2-CD1 3.76Å; I817-L821 HydrophobicContact CG2-CG 4.24Å; I817-L821 PolarHBondContact O-N 3.09Å; L821-K855 WeakPolarHBondContact O-CE 3.35Å; L821-K855 PolarHBondContact O-NZ 3.08Å; L821-V911 HydrophobicContact CB-CG2 3.92Å; L821-V911 HydrophobicContact CD1-CG1 4.26Å; L821-V911 HydrophobicContact CD1-CG2 3.68Å; L821-V911 HydrophobicContact CG-CG2 4.46Å; L821-F979 HydrophobicContact CD1-CE2 3.6Å; L821-F979 HydrophobicContact CD1-CZ 3.82Å; L821-A1034 HydrophobicContact CD1-CB 4.24Å; L821-A1034 HydrophobicContact CD2-CB 3.93Å; L821-K1035 HydrophobicContact CD2-CG 4.38Å; L821-F1038 HydrophobicContact CD1-CE2 4.07Å; L821-F1038 HydrophobicContact CD2-CD2 3.9Å; L821-F1038 HydrophobicContact CD2-CE2 4.02Å; L821-F1038 HydrophobicContact CG-CE2 4.44Å
822	P	85.8	Confident	92.2	Very high	61 Å²	61	22.9 Å²	22.9	40%	0.396	12%	0.119	S	C	.	.			trans	-81.5	175.6	-173.5	34.2	-37	0	0	0	113.7	K855 F1038	P822-K855 PolarHBondContact O-NZ 2.8Å; P822-F1038 HydrophobicContact CG-CD1 4.33Å; P822-F1038 HydrophobicContact CG-CG 4.43Å
823	A	89.1	Confident	92	Very high	12 Å²	12	26.3 Å²	26.3	10%	0.099	14%	0.135	C	C	.	.	S	Bend	trans	58.5	-156.5	167	0	0	0	0	0	115.5	K855 H886 D907 R910	A823-K855 PolarHBondContact O-NZ 3.34Å; A823-H886 PolarHBondContact N-O 3.07Å; A823-H886 VanDerWaalsContact N-O 3.16Å; A823-D907 HydrophobicContact CB-CB 4Å; A823-R910 HydrophobicContact CB-CB 4.23Å; A823-R910 HydrophobicContact CB-CG 3.82Å
824	G	92.4	Very high	91.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.			trans	-73	130.9	179	0	0	0	0	0	113.3	Y874 A888 D907 R910 V911	G824-Y874 WeakPolarHBondContact CA-OH 3.38Å; G824-A888 WeakPolarHBondContact CA-O 3.48Å; G824-D907 WeakPolarHBondContact CA-O 3.15Å; G824-D907 PolarHBondContact N-O 3.03Å; G824-R910 PolarHBondContact O-N 2.84Å; G824-R910 VanDerWaalsContact O-N 3.1Å; G824-V911 PolarHBondContact O-N 3.16Å
825	I	94.4	Very high	91.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.3	175.8	-53.5	-177.9	0	0	0	108	I817 V827 K855 A888 L889 L890 V911 I913	I817-I825 HydrophobicContact CG2-CD1 4.17Å; I825-V827 HydrophobicContact CG2-CG2 4.35Å; I825-K855 HydrophobicContact CD1-CD 4.48Å; I825-A888 PolarHBondContact N-O 3.13Å; I825-L889 HydrophobicContact CB-CD1 3.59Å; I825-L889 HydrophobicContact CG2-CD1 3.44Å; I825-L889 VanDerWaalsContact CG2-CD1 3.44Å; I825-L889 CarbonylContact O-C 3.52Å; I825-L889 WeakPolarHBondContact O-CA 3.42Å; I825-L890 PolarHBondContact O-N 3.14Å; I825-V911 WeakPolarHBondContact CA-O 3.47Å; I825-V911 HydrophobicContact CB-CB 4.35Å; I825-V911 HydrophobicContact CG1-CB 4.03Å; I825-V911 HydrophobicContact CG1-CG2 4.35Å; I825-V911 HydrophobicContact CG2-CB 4.07Å; I825-V911 HydrophobicContact CG2-CG1 4.1Å; I825-I913 HydrophobicContact CG2-CD1 3.85Å; I825-I913 HydrophobicContact CG2-CG1 4.13Å
826	V	93.9	Very high	91.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124	176.9	-176.6	0	0	0	0	109.3	F828 F904 A909 V911 V912 I913	V826-F828 HydrophobicContact CG1-CD2 4.32Å; V826-F828 HydrophobicContact CG1-CE1 4.19Å; V826-F828 HydrophobicContact CG1-CE2 3.77Å; V826-F828 HydrophobicContact CG1-CZ 3.7Å; V826-F904 HydrophobicContact CG2-CD1 4.2Å; V826-F904 HydrophobicContact CG2-CE1 4.16Å; V826-F904 HydrophobicContact CG2-CG 4.42Å; V826-F904 HydrophobicContact CG2-CZ 4.36Å; V826-A909 HydrophobicContact CG2-CB 3.79Å; V826-V911 PolarHBondContact N-O 2.75Å; V826-V912 CarbonylContact O-C 3.57Å; V826-V912 WeakPolarHBondContact O-CA 3.5Å; V826-I913 PolarHBondContact O-N 3.39Å
827	V	95.3	Very high	91.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.2	179.3	-175.4	0	0	0	0	109	I814 I825 L889 L890 L891 C892 I913 I915	I814-V827 HydrophobicContact CD1-CG1 4.35Å; I825-V827 HydrophobicContact CG2-CG2 4.35Å; V827-L889 HydrophobicContact CG2-CD1 3.46Å; V827-L889 VanDerWaalsContact CG2-CD1 3.46Å; V827-L889 HydrophobicContact CG2-CG 4.17Å; V827-L890 PolarHBondContact N-O 3.38Å; V827-L891 HydrophobicContact CB-CD2 3.58Å; V827-L891 HydrophobicContact CG1-CD2 3.98Å; V827-L891 HydrophobicContact CG2-CD2 3.89Å; V827-C892 PolarHBondContact O-N 3.03Å; V827-I913 CarbonylContact C-O 3.58Å; V827-I913 WeakPolarHBondContact CA-O 3.5Å; V827-I913 HydrophobicContact CG1-CB 4.35Å; V827-I913 HydrophobicContact CG2-CB 4.2Å; V827-I913 HydrophobicContact CG2-CD1 4.15Å; V827-I913 HydrophobicContact CG2-CG1 4.48Å; V827-I915 HydrophobicContact CG1-CD1 3.38Å; V827-I915 HydrophobicContact CG1-CG1 3.94Å
828	F	95	Very high	91.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.6	174.2	-69	-71.2	0	0	0	110.6	V826 C892 I894 V912 I913 I914 I915 A964	V826-F828 HydrophobicContact CG1-CD2 4.32Å; V826-F828 HydrophobicContact CG1-CE1 4.19Å; V826-F828 HydrophobicContact CG1-CE2 3.77Å; V826-F828 HydrophobicContact CG1-CZ 3.7Å; F828-C892 WeakPolarHBondContact CA-O 3.43Å; F828-C892 HydrophobicContact CD1-CB 3.79Å; F828-C892 HydrophobicContact CE1-CB 3.82Å; F828-I894 HydrophobicContact CB-CB 4.2Å; F828-I894 HydrophobicContact CB-CD1 4.46Å; F828-I894 HydrophobicContact CD1-CB 4.39Å; F828-V912 HydrophobicContact CD2-CG1 3.61Å; F828-V912 HydrophobicContact CE2-CG1 3.61Å; F828-I913 PolarHBondContact N-O 3.19Å; F828-I914 HydrophobicContact CB-CG1 4.36Å; F828-I914 HydrophobicContact CD2-CG1 4.21Å; F828-I915 PolarHBondContact O-N 3.19Å; F828-A964 HydrophobicContact CD2-CB 3.87Å; F828-A964 HydrophobicContact CE2-CB 3.79Å; F828-A964 HydrophobicContact CG-CB 4.26Å; F828-A964 HydrophobicContact CZ-CB 4.14Å
829	T	94.1	Very high	91.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	152.5	173.7	60.1	0	0	0	0	110.4	S831 Q835 L838 C892 V893 I894 I915	T829-S831 VanDerWaalsContact C-N 3.3Å; T829-S831 PolarHBondContact O-N 3.45Å; T829-Q835 HydrophobicContact CG2-CB 4.25Å; T829-Q835 HydrophobicContact CG2-CG 4.43Å; T829-L838 HydrophobicContact CG2-CD1 3.87Å; T829-C892 PolarHBondContact N-O 2.93Å; T829-C892 PolarHBondContact OG1-O 2.83Å; T829-V893 WeakPolarHBondContact O-CA 3.36Å; T829-I894 PolarHBondContact O-N 2.87Å; T829-I915 HydrophobicContact CG2-CD1 4.18Å
830	P	91.4	Very high	91.7	Very high	26 Å²	26	31.1 Å²	31.1	17%	0.169	17%	0.166	C	C	.	.	S	Bend	trans	-68.5	-21.8	-177.6	-24	35.9	0	0	0	115.2	I915	P830-I915 VanDerWaalsContact CD-O 3.28Å; P830-I915 WeakPolarHBondContact CD-O 3.21Å; P830-I915 WeakPolarHBondContact CG-O 3.34Å
831	S	88.8	Confident	91.8	Very high	32 Å²	32	32.3 Å²	32.3	22%	0.224	17%	0.168	C	C	.	.			trans	-164.7	156.5	-177.4	63	0	0	0	0	111.7	T829 E833 Y834 Q835	T829-S831 VanDerWaalsContact C-N 3.3Å; T829-S831 PolarHBondContact O-N 3.45Å; S831-E833 VanDerWaalsContact C-N 3.25Å; S831-E833 PolarHBondContact O-N 3.32Å; S831-Y834 PolarHBondContact O-N 3.4Å; S831-Y834 WeakPolarHBondContact OG-CB 3.46Å; S831-Y834 PolarHBondContact OG-N 3.2Å; S831-Q835 PolarHBondContact O-N 3.03Å
832	Y	88.4	Confident	92.1	Very high	59 Å²	59	32.3 Å²	32.3	23%	0.231	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-34.7	174.2	-71	-76.4	0	0	0	113.2	S836 E860 K862 V893	Y832-S836 PolarHBondContact O-N 3.27Å; Y832-S836 PolarHBondContact O-OG 3.07Å; Y832-E860 HydrophobicContact CE1-CG 4.23Å; Y832-E860 PolarHBondContact OH-OE1 2.93Å; Y832-K862 HydrophobicContact CD1-CG 3.93Å; Y832-K862 HydrophobicContact CE1-CG 4.11Å; Y832-K862 HydrophobicContact CG-CG 4.32Å; Y832-V893 HydrophobicContact CD1-CG2 3.48Å; Y832-V893 VanDerWaalsContact CD1-CG2 3.48Å; Y832-V893 HydrophobicContact CD2-CB 4.43Å; Y832-V893 HydrophobicContact CD2-CG1 4.35Å; Y832-V893 HydrophobicContact CD2-CG2 3.95Å; Y832-V893 HydrophobicContact CE1-CB 4.32Å; Y832-V893 HydrophobicContact CE1-CG2 3.64Å; Y832-V893 HydrophobicContact CE2-CB 4.19Å; Y832-V893 HydrophobicContact CE2-CG1 4.31Å; Y832-V893 HydrophobicContact CE2-CG2 4.06Å; Y832-V893 HydrophobicContact CG-CG2 3.65Å
833	E	88.9	Confident	92.4	Very high	129 Å²	129	35 Å²	35	60%	0.603	18%	0.175	S	C	*	.	H	α-helix	trans	-63.5	-49.1	176.4	-174.8	-175.4	174.4	0	0	110.2	S831 Q835 S836 I837	S831-E833 VanDerWaalsContact C-N 3.25Å; S831-E833 PolarHBondContact O-N 3.32Å; E833-Q835 PolarHBondContact O-N 3.46Å; E833-S836 WeakPolarHBondContact O-CB 3.45Å; E833-S836 PolarHBondContact O-N 2.9Å; E833-S836 VanDerWaalsContact O-N 3.13Å; E833-I837 HydrophobicContact CG-CD1 4.34Å; E833-I837 WeakPolarHBondContact O-CG1 3.27Å; E833-I837 PolarHBondContact O-N 2.71Å
834	Y	91.7	Very high	92.7	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-39.3	178.6	-164.8	-114.8	0	0	0	112.6	F796 R801 S831 S836 I837 L838 I915	F796-Y834 HydrophobicContact CD1-CE1 4.33Å; F796-Y834 WeakPolarHBondContact CD1-OH 3.41Å; R801-Y834 HydrophobicContact CB-CE2 3.71Å; R801-Y834 HydrophobicContact CG-CD2 4.24Å; R801-Y834 HydrophobicContact CG-CE2 3.83Å; R801-Y834 VanDerWaalsContact O-CE2 3.23Å; R801-Y834 WeakPolarHBondContact O-CE2 3.46Å; R801-Y834 PolarHBondContact O-OH 3.12Å; S831-Y834 PolarHBondContact O-N 3.4Å; S831-Y834 WeakPolarHBondContact OG-CB 3.46Å; S831-Y834 PolarHBondContact OG-N 3.2Å; Y834-S836 PolarHBondContact O-N 3.22Å; Y834-I837 HydrophobicContact CD2-CD1 4.39Å; Y834-I837 WeakPolarHBondContact O-CB 3.38Å; Y834-I837 PolarHBondContact O-N 3.03Å; Y834-I837 VanDerWaalsContact O-N 3.16Å; Y834-L838 HydrophobicContact CD1-CD1 3.9Å; Y834-L838 HydrophobicContact CD1-CG 4.09Å; Y834-L838 HydrophobicContact CE1-CD1 3.77Å; Y834-L838 HydrophobicContact CE1-CD2 3.86Å; Y834-L838 HydrophobicContact CE1-CG 3.86Å; Y834-L838 WeakPolarHBondContact O-CG 3.16Å; Y834-L838 PolarHBondContact O-N 2.96Å; Y834-I915 HydrophobicContact CE1-CG2 4.18Å
835	Q	91.9	Very high	92.7	Very high	13 Å²	13	41.3 Å²	41.3	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-55.4	-42.1	171.8	-175	-173.9	-19.3	0	0	111.7	T829 S831 E833 L838 H839 L891 V893	T829-Q835 HydrophobicContact CG2-CB 4.25Å; T829-Q835 HydrophobicContact CG2-CG 4.43Å; S831-Q835 PolarHBondContact O-N 3.03Å; E833-Q835 PolarHBondContact O-N 3.46Å; Q835-L838 PolarHBondContact O-N 3.32Å; Q835-H839 WeakPolarHBondContact O-CB 3.39Å; Q835-H839 PolarHBondContact O-N 2.87Å; Q835-L891 HydrophobicContact CG-CB 4.32Å; Q835-L891 HydrophobicContact CG-CD1 4.35Å; Q835-V893 VanDerWaalsContact OE1-CG2 3.32Å
836	S	91.8	Very high	92.7	Very high	49 Å²	49	42.3 Å²	42.3	34%	0.343	23%	0.232	S	C	.	.	H	α-helix	trans	-66.9	-40.9	178.2	-52.7	0	0	0	0	111.4	Y832 E833 Y834 H839 N840	Y832-S836 PolarHBondContact O-N 3.27Å; Y832-S836 PolarHBondContact O-OG 3.07Å; E833-S836 WeakPolarHBondContact O-CB 3.45Å; E833-S836 PolarHBondContact O-N 2.9Å; E833-S836 VanDerWaalsContact O-N 3.13Å; Y834-S836 PolarHBondContact O-N 3.22Å; S836-H839 PolarHBondContact O-N 3.27Å; S836-N840 WeakPolarHBondContact O-CB 3.23Å; S836-N840 PolarHBondContact O-N 3.48Å; S836-N840 PolarHBondContact O-ND2 3.4Å; S836-N840 PolarHBondContact O-OD1 2.99Å
837	I	92.7	Very high	92.7	Very high	58 Å²	58	42.6 Å²	42.6	30%	0.297	23%	0.233	S	C	.	.	H	α-helix	trans	-59.9	-47.4	174.8	-67.9	167.6	0	0	0	110.9	I807 E833 Y834 R841	I807-I837 HydrophobicContact CD1-CG2 3.67Å; E833-I837 HydrophobicContact CG-CD1 4.34Å; E833-I837 WeakPolarHBondContact O-CG1 3.27Å; E833-I837 PolarHBondContact O-N 2.71Å; Y834-I837 HydrophobicContact CD2-CD1 4.39Å; Y834-I837 WeakPolarHBondContact O-CB 3.38Å; Y834-I837 PolarHBondContact O-N 3.03Å; Y834-I837 VanDerWaalsContact O-N 3.16Å; I837-R841 VanDerWaalsContact O-CB 3.32Å; I837-R841 WeakPolarHBondContact O-CB 3.34Å; I837-R841 PolarHBondContact O-N 3.16Å; I837-R841 VanDerWaalsContact O-N 3.07Å
838	L	93.1	Very high	92.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-51	176.8	-67.3	177.6	0	0	0	110.9	I807 T829 Y834 Q835 R841 W842 I915	I807-L838 HydrophobicContact CB-CD2 4.25Å; I807-L838 HydrophobicContact CG1-CD2 4.14Å; I807-L838 HydrophobicContact CG2-CD2 3.62Å; T829-L838 HydrophobicContact CG2-CD1 3.87Å; Y834-L838 HydrophobicContact CD1-CD1 3.9Å; Y834-L838 HydrophobicContact CD1-CG 4.09Å; Y834-L838 HydrophobicContact CE1-CD1 3.77Å; Y834-L838 HydrophobicContact CE1-CD2 3.86Å; Y834-L838 HydrophobicContact CE1-CG 3.86Å; Y834-L838 WeakPolarHBondContact O-CG 3.16Å; Y834-L838 PolarHBondContact O-N 2.96Å; Q835-L838 PolarHBondContact O-N 3.32Å; L838-R841 PolarHBondContact O-N 2.62Å; L838-W842 HydrophobicContact CB-CD2 4.39Å; L838-W842 HydrophobicContact CB-CE3 4.42Å; L838-W842 HydrophobicContact CB-CH2 4.04Å; L838-W842 HydrophobicContact CB-CZ2 4.01Å; L838-W842 HydrophobicContact CB-CZ3 4.25Å; L838-W842 HydrophobicContact CD1-CH2 4.05Å; L838-W842 HydrophobicContact CD1-CZ2 4.22Å; L838-W842 HydrophobicContact CD2-CZ2 3.93Å; L838-W842 HydrophobicContact CG-CH2 4.44Å; L838-W842 HydrophobicContact CG-CZ2 4.27Å; L838-W842 WeakPolarHBondContact O-CB 3.5Å; L838-W842 PolarHBondContact O-N 3.44Å; L838-I915 HydrophobicContact CD1-CD1 3.95Å
839	H	91.7	Very high	92.5	Very high	45 Å²	45	47.9 Å²	47.9	21%	0.208	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-54.1	-179.8	-179.3	-80.5	0	0	0	111.9	Q835 S836 R841 W842 E843 L848 H859	Q835-H839 WeakPolarHBondContact O-CB 3.39Å; Q835-H839 PolarHBondContact O-N 2.87Å; S836-H839 PolarHBondContact O-N 3.27Å; H839-R841 VanDerWaalsContact C-N 3.27Å; H839-R841 PolarHBondContact O-N 3.47Å; H839-W842 PolarHBondContact O-N 3.28Å; H839-E843 IonicContact CE1-OE2 2.99Å; H839-E843 IonicContact ND1-OE2 3.95Å; H839-E843 WeakPolarHBondContact O-CB 3.41Å; H839-E843 PolarHBondContact O-N 3.31Å; H839-L848 WeakPolarHBondContact NE2-CD1 3.46Å; H839-H859 AromaticContact CD2-CE1 3.49Å; H839-H859 PolarHBondContact CD2-CE1 3.01Å; H839-H859 VanDerWaalsContact CD2-CE1 3.49Å; H839-H859 AromaticContact CD2-NE2 3.33Å; H839-H859 PolarHBondContact CD2-NE2 3.25Å; H839-H859 VanDerWaalsContact CD2-NE2 3.33Å; H839-H859 AromaticContact NE2-NE2 3.62Å
840	N	93.9	Very high	92.4	Very high	98 Å²	98	52.1 Å²	52.1	52%	0.524	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-38.6	-177.6	-66	-9.1	0	0	0	111.6	S836 A844	S836-N840 WeakPolarHBondContact O-CB 3.23Å; S836-N840 PolarHBondContact O-N 3.48Å; S836-N840 PolarHBondContact O-ND2 3.4Å; S836-N840 PolarHBondContact O-OD1 2.99Å; N840-A844 WeakPolarHBondContact O-CB 3.27Å; N840-A844 PolarHBondContact O-N 3.38Å
841	R	93.9	Very high	92.5	Very high	86 Å²	86	51 Å²	51	33%	0.325	27%	0.273	S	S	.	.	H	α-helix	trans	-68.9	-44.8	176.9	-179.3	60.5	179.1	-167.2	3.5	111.7	I807 D808 I837 L838 H839 E843 A844 T845	I807-R841 HydrophobicContact CB-CG 4.1Å; I807-R841 HydrophobicContact CG2-CB 3.64Å; I807-R841 HydrophobicContact CG2-CG 3.43Å; I807-R841 VanDerWaalsContact CG2-CG 3.43Å; D808-R841 WeakPolarHBondContact OD1-CG 3.37Å; D808-R841 IonicContact OD1-CZ 3.72Å; D808-R841 IonicContact OD1-NE 2.89Å; D808-R841 PolarHBondContact OD1-NE 2.81Å; D808-R841 IonicContact OD1-NH2 3.66Å; D808-R841 IonicContact OD2-CZ 3.55Å; D808-R841 IonicContact OD2-NE 3.5Å; D808-R841 PolarHBondContact OD2-NE 3.35Å; D808-R841 IonicContact OD2-NH2 2.74Å; D808-R841 PolarHBondContact OD2-NH2 2.99Å; I837-R841 VanDerWaalsContact O-CB 3.32Å; I837-R841 WeakPolarHBondContact O-CB 3.34Å; I837-R841 PolarHBondContact O-N 3.16Å; I837-R841 VanDerWaalsContact O-N 3.07Å; L838-R841 PolarHBondContact O-N 2.62Å; H839-R841 VanDerWaalsContact C-N 3.27Å; H839-R841 PolarHBondContact O-N 3.47Å; R841-E843 VanDerWaalsContact C-N 3.32Å; R841-E843 PolarHBondContact O-N 2.88Å; R841-A844 PolarHBondContact O-N 2.92Å; R841-T845 WeakPolarHBondContact O-CG2 3.43Å; R841-T845 PolarHBondContact O-N 3.26Å; R841-T845 PolarHBondContact O-OG1 3.35Å
842	W	95.4	Very high	92.6	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-68.7	-30.5	179.7	-63.9	-17.5	0	0	0	113	I807 C810 I814 L838 H839 T845 G846 L847 L848 L891	I807-W842 PolarHBondContact O-NE1 3.45Å; C810-W842 HydrophobicContact CB-CZ2 4.49Å; I814-W842 HydrophobicContact CD1-CH2 3.38Å; I814-W842 HydrophobicContact CD1-CZ2 3.84Å; I814-W842 HydrophobicContact CD1-CZ3 4.28Å; L838-W842 HydrophobicContact CB-CD2 4.39Å; L838-W842 HydrophobicContact CB-CE3 4.42Å; L838-W842 HydrophobicContact CB-CH2 4.04Å; L838-W842 HydrophobicContact CB-CZ2 4.01Å; L838-W842 HydrophobicContact CB-CZ3 4.25Å; L838-W842 HydrophobicContact CD1-CH2 4.05Å; L838-W842 HydrophobicContact CD1-CZ2 4.22Å; L838-W842 HydrophobicContact CD2-CZ2 3.93Å; L838-W842 HydrophobicContact CG-CH2 4.44Å; L838-W842 HydrophobicContact CG-CZ2 4.27Å; L838-W842 WeakPolarHBondContact O-CB 3.5Å; L838-W842 PolarHBondContact O-N 3.44Å; H839-W842 PolarHBondContact O-N 3.28Å; W842-T845 PolarHBondContact O-OG1 3.29Å; W842-G846 CarbonylContact O-C 3.55Å; W842-G846 PolarHBondContact O-N 3.28Å; W842-L847 HydrophobicContact CB-CB 4.09Å; W842-L847 HydrophobicContact CG-CB 4.38Å; W842-L847 PolarHBondContact O-N 3.46Å; W842-L848 HydrophobicContact CB-CB 4.21Å; W842-L848 PolarHBondContact O-N 2.85Å; W842-L891 HydrophobicContact CZ3-CD1 4.16Å
843	E	93.6	Very high	92.7	Very high	118 Å²	118	56.8 Å²	56.8	55%	0.551	30%	0.296	S	S	*	.	H	α-helix	trans	-65.9	-50.7	170.3	-174.3	175.2	-161.6	0	0	110.4	H839 R841 T845 G846 L848	H839-E843 IonicContact CE1-OE2 2.99Å; H839-E843 IonicContact ND1-OE2 3.95Å; H839-E843 WeakPolarHBondContact O-CB 3.41Å; H839-E843 PolarHBondContact O-N 3.31Å; R841-E843 VanDerWaalsContact C-N 3.32Å; R841-E843 PolarHBondContact O-N 2.88Å; E843-T845 VanDerWaalsContact C-N 3.32Å; E843-T845 PolarHBondContact O-N 2.74Å; E843-G846 PolarHBondContact O-N 3.07Å; E843-L848 HydrophobicContact CB-CD1 4.36Å
844	A	93.6	Very high	92.8	Very high	87 Å²	87	55 Å²	55	72%	0.719	28%	0.284	S	S	*	.	H	α-helix	trans	-62.3	-34.8	-179.4	0	0	0	0	0	113.8	N840 R841 G846	N840-A844 WeakPolarHBondContact O-CB 3.27Å; N840-A844 PolarHBondContact O-N 3.38Å; R841-A844 PolarHBondContact O-N 2.92Å; A844-G846 VanDerWaalsContact C-N 3.34Å
845	T	93.8	Very high	92.8	Very high	57 Å²	57	55 Å²	55	35%	0.35	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.5	177.2	56.9	0	0	0	0	113.5	R841 W842 E843 L847	R841-T845 WeakPolarHBondContact O-CG2 3.43Å; R841-T845 PolarHBondContact O-N 3.26Å; R841-T845 PolarHBondContact O-OG1 3.35Å; W842-T845 PolarHBondContact O-OG1 3.29Å; E843-T845 VanDerWaalsContact C-N 3.32Å; E843-T845 PolarHBondContact O-N 2.74Å; T845-L847 PolarHBondContact O-N 2.94Å; T845-L847 WeakPolarHBondContact OG1-CD1 3.27Å; T845-L847 WeakPolarHBondContact OG1-CG 3.2Å
846	G	93.9	Very high	92.8	Very high	22 Å²	22	55.7 Å²	55.7	23%	0.227	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	7.7	-174.2	0	0	0	0	0	114.4	W842 E843 A844 L848 N849 K850	W842-G846 CarbonylContact O-C 3.55Å; W842-G846 PolarHBondContact O-N 3.28Å; E843-G846 PolarHBondContact O-N 3.07Å; A844-G846 VanDerWaalsContact C-N 3.34Å; G846-L848 VanDerWaalsContact C-N 3.26Å; G846-L848 PolarHBondContact O-N 3.29Å; G846-N849 PolarHBondContact O-N 3.49Å; G846-K850 PolarHBondContact O-N 3.45Å
847	L	93.2	Very high	92.8	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-37.2	173.2	-74.5	174	0	0	0	111.6	E812 W842 T845 N849 K850 I851	E812-L847 HydrophobicContact CG-CD2 4.23Å; E812-L847 WeakPolarHBondContact OE1-CD2 3.25Å; W842-L847 HydrophobicContact CB-CB 4.09Å; W842-L847 HydrophobicContact CG-CB 4.38Å; W842-L847 PolarHBondContact O-N 3.46Å; T845-L847 PolarHBondContact O-N 2.94Å; T845-L847 WeakPolarHBondContact OG1-CD1 3.27Å; T845-L847 WeakPolarHBondContact OG1-CG 3.2Å; L847-N849 PolarHBondContact O-N 2.82Å; L847-K850 HydrophobicContact CD2-CD 4.32Å; L847-K850 WeakPolarHBondContact O-CA 3.49Å; L847-K850 WeakPolarHBondContact O-CB 3.43Å; L847-K850 PolarHBondContact O-N 3.1Å; L847-I851 WeakPolarHBondContact O-CG1 3.31Å; L847-I851 PolarHBondContact O-N 2.96Å
848	L	93.2	Very high	92.7	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.068	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-47.3	179	-164.8	152.8	0	0	0	110.9	H839 W842 E843 G846 K850 I851 E852 L857	H839-L848 WeakPolarHBondContact NE2-CD1 3.46Å; W842-L848 HydrophobicContact CB-CB 4.21Å; W842-L848 PolarHBondContact O-N 2.85Å; E843-L848 HydrophobicContact CB-CD1 4.36Å; G846-L848 VanDerWaalsContact C-N 3.26Å; G846-L848 PolarHBondContact O-N 3.29Å; L848-K850 PolarHBondContact O-N 3.08Å; L848-I851 PolarHBondContact O-N 2.59Å; L848-I851 VanDerWaalsContact O-N 3.08Å; L848-E852 VanDerWaalsContact CD2-CD 3.49Å; L848-E852 HydrophobicContact CD2-CG 3.86Å; L848-E852 WeakPolarHBondContact CD2-OE1 3.36Å; L848-E852 WeakPolarHBondContact O-CG 3.41Å; L848-E852 PolarHBondContact O-N 3.24Å; L848-L857 HydrophobicContact CD1-CD2 3.79Å; L848-L857 HydrophobicContact CD2-CD2 3.87Å; L848-L857 HydrophobicContact CG-CD2 3.72Å
849	N	93	Very high	92.5	Very high	100 Å²	100	56.4 Å²	56.4	54%	0.535	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-31.9	174.6	-67.6	-26.3	0	0	0	112.6	G846 L847 K853	G846-N849 PolarHBondContact O-N 3.49Å; L847-N849 PolarHBondContact O-N 2.82Å; N849-K853 WeakPolarHBondContact O-CG 3.27Å; N849-K853 PolarHBondContact O-N 2.59Å
850	K	93.3	Very high	92.2	Very high	90 Å²	90	54.6 Å²	54.6	39%	0.391	28%	0.279	S	S	.	.	H	α-helix	trans	-71.1	-40.7	174.6	-63.7	179.8	-169.9	171.6	0	111.5	L815 G846 L847 L848 K853 Y854	L815-K850 HydrophobicContact CD1-CB 3.95Å; L815-K850 HydrophobicContact CD2-CB 3.97Å; L815-K850 HydrophobicContact CD2-CD 3.95Å; G846-K850 PolarHBondContact O-N 3.45Å; L847-K850 HydrophobicContact CD2-CD 4.32Å; L847-K850 WeakPolarHBondContact O-CA 3.49Å; L847-K850 WeakPolarHBondContact O-CB 3.43Å; L847-K850 PolarHBondContact O-N 3.1Å; L848-K850 PolarHBondContact O-N 3.08Å; K850-K853 WeakPolarHBondContact O-CB 3.44Å; K850-Y854 VanDerWaalsContact O-CD2 3.3Å; K850-Y854 WeakPolarHBondContact O-CD2 3.41Å
851	I	92.8	Very high	91.5	Very high	3 Å²	3	51 Å²	51	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-45.2	177.3	-67.1	169.1	0	0	0	110.1	I814 L815 L847 L848 K853 Y854 K855 L889	I814-I851 HydrophobicContact CG2-CD1 4.24Å; L815-I851 HydrophobicContact CB-CG1 4.13Å; L815-I851 HydrophobicContact CD1-CG1 3.94Å; L847-I851 WeakPolarHBondContact O-CG1 3.31Å; L847-I851 PolarHBondContact O-N 2.96Å; L848-I851 PolarHBondContact O-N 2.59Å; L848-I851 VanDerWaalsContact O-N 3.08Å; I851-K853 PolarHBondContact O-N 3.45Å; I851-K853 VanDerWaalsContact O-N 3.14Å; I851-Y854 PolarHBondContact O-N 2.79Å; I851-K855 PolarHBondContact O-N 3.29Å; I851-L889 HydrophobicContact CG2-CD2 3.71Å
852	E	91.4	Very high	90.7	Very high	69 Å²	69	53.6 Å²	53.6	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-22.2	-178	-78	-167.9	163.5	0	0	114.7	L848 Y854 K855 L857 K885	L848-E852 VanDerWaalsContact CD2-CD 3.49Å; L848-E852 HydrophobicContact CD2-CG 3.86Å; L848-E852 WeakPolarHBondContact CD2-OE1 3.36Å; L848-E852 WeakPolarHBondContact O-CG 3.41Å; L848-E852 PolarHBondContact O-N 3.24Å; E852-Y854 PolarHBondContact O-N 3.03Å; E852-K855 VanDerWaalsContact CA-O 3.27Å; E852-K855 WeakPolarHBondContact CA-O 3.43Å; E852-L857 HydrophobicContact CG-CB 4.04Å; E852-K885 WeakPolarHBondContact O-CE 3.49Å; E852-K885 PolarHBondContact O-NZ 2.9Å
853	K	90.1	Very high	89.6	Confident	143 Å²	143	57.2 Å²	57.2	62%	0.622	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.2	171.6	-75.7	174.4	-176.9	-175	0	112.2	N849 K850 I851	N849-K853 WeakPolarHBondContact O-CG 3.27Å; N849-K853 PolarHBondContact O-N 2.59Å; K850-K853 WeakPolarHBondContact O-CB 3.44Å; I851-K853 PolarHBondContact O-N 3.45Å; I851-K853 VanDerWaalsContact O-N 3.14Å
854	Y	90.2	Very high	88.5	Confident	92 Å²	92	55.7 Å²	55.7	36%	0.361	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-35.5	-175.9	-61.6	-83.7	0	0	0	113	L815 Q819 K850 I851 E852 K885 H886	L815-Y854 HydrophobicContact CD1-CD2 4.25Å; L815-Y854 HydrophobicContact CD1-CE2 4.39Å; Q819-Y854 HydrophobicContact CG-CD1 4.16Å; Q819-Y854 HydrophobicContact CG-CD2 3.85Å; Q819-Y854 HydrophobicContact CG-CE1 3.96Å; Q819-Y854 HydrophobicContact CG-CE2 3.65Å; Q819-Y854 HydrophobicContact CG-CG 4.11Å; K850-Y854 VanDerWaalsContact O-CD2 3.3Å; K850-Y854 WeakPolarHBondContact O-CD2 3.41Å; I851-Y854 PolarHBondContact O-N 2.79Å; E852-Y854 PolarHBondContact O-N 3.03Å; Y854-K885 WeakPolarHBondContact O-CA 3.42Å; Y854-H886 PolarHBondContact O-N 3.31Å
855	K	91.8	Very high	87.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-135.9	135.5	-175.4	-60.5	-68.8	-177.9	163.6	0	111.1	C818 L821 P822 A823 I825 I851 E852 L857 H886 G887 L889	C818-K855 HydrophobicContact CB-CG 3.82Å; C818-K855 WeakPolarHBondContact O-CE 3.4Å; L821-K855 WeakPolarHBondContact O-CE 3.35Å; L821-K855 PolarHBondContact O-NZ 3.08Å; P822-K855 PolarHBondContact O-NZ 2.8Å; A823-K855 PolarHBondContact O-NZ 3.34Å; I825-K855 HydrophobicContact CD1-CD 4.48Å; I851-K855 PolarHBondContact O-N 3.29Å; E852-K855 VanDerWaalsContact CA-O 3.27Å; E852-K855 WeakPolarHBondContact CA-O 3.43Å; K855-L857 PolarHBondContact O-N 3.1Å; K855-H886 PolarHBondContact NZ-O 3.44Å; K855-G887 WeakPolarHBondContact CA-O 3.43Å; K855-L889 HydrophobicContact CB-CB 4.05Å
856	S	91.5	Very high	86.7	Confident	28 Å²	28	58.4 Å²	58.4	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	124.8	172	-63.1	0	0	0	0	110.5	F858 G887 A888 L889	S856-F858 WeakPolarHBondContact O-CD2 3.47Å; S856-G887 PolarHBondContact N-O 2.77Å; S856-G887 VanDerWaalsContact N-O 3.14Å; S856-A888 CarbonylContact O-C 3.54Å; S856-A888 VanDerWaalsContact O-CA 3.3Å; S856-A888 WeakPolarHBondContact O-CA 2.94Å; S856-L889 PolarHBondContact O-N 2.77Å
857	L	92	Very high	85.9	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134.5	-175.7	-177.9	65.3	0	0	0	111.6	L848 E852 K855 H859 L889 L891	L848-L857 HydrophobicContact CD1-CD2 3.79Å; L848-L857 HydrophobicContact CD2-CD2 3.87Å; L848-L857 HydrophobicContact CG-CD2 3.72Å; E852-L857 HydrophobicContact CG-CB 4.04Å; K855-L857 PolarHBondContact O-N 3.1Å; L857-H859 WeakPolarHBondContact CD2-NE2 3.15Å; L857-L889 CarbonylContact C-O 3.59Å; L857-L889 WeakPolarHBondContact CA-O 3.35Å; L857-L889 HydrophobicContact CD1-CB 4.28Å; L857-L889 HydrophobicContact CD1-CD2 3.85Å; L857-L889 HydrophobicContact CD1-CG 4.21Å; L857-L891 HydrophobicContact CD1-CD1 4.41Å; L857-L891 HydrophobicContact CD1-CG 4.04Å
858	F	91.5	Very high	85.2	Confident	39 Å²	39	63.5 Å²	63.5	17%	0.171	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.1	174.4	-63.9	-89.4	0	0	0	110.6	S856 I870 A873 Y874 A877 A888 L889 L890 L891	S856-F858 WeakPolarHBondContact O-CD2 3.47Å; F858-I870 HydrophobicContact CB-CG2 4.37Å; F858-I870 HydrophobicContact CD1-CG2 4.3Å; F858-A873 HydrophobicContact CE1-CB 3.63Å; F858-A873 HydrophobicContact CZ-CB 4.16Å; F858-Y874 HydrophobicContact CB-CD2 4.49Å; F858-Y874 AromaticContact CD2-CD2 3.79Å; F858-Y874 HydrophobicContact CD2-CD2 3.79Å; F858-Y874 HydrophobicContact CE2-CD2 4.36Å; F858-Y874 HydrophobicContact CG-CD2 4.33Å; F858-A877 HydrophobicContact CE2-CB 3.65Å; F858-A877 HydrophobicContact CZ-CB 3.87Å; F858-A888 HydrophobicContact CD2-CB 4.15Å; F858-A888 HydrophobicContact CE2-CB 3.97Å; F858-L889 PolarHBondContact N-O 3.04Å; F858-L890 HydrophobicContact CB-CD1 3.66Å; F858-L891 PolarHBondContact O-N 3.43Å
859	H	88.5	Confident	84.8	Confident	54 Å²	54	69 Å²	69	25%	0.25	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.4	-179.5	-61.9	-64.1	0	0	0	111.6	H839 L857 P861 L891	H839-H859 AromaticContact CD2-CE1 3.49Å; H839-H859 PolarHBondContact CD2-CE1 3.01Å; H839-H859 VanDerWaalsContact CD2-CE1 3.49Å; H839-H859 AromaticContact CD2-NE2 3.33Å; H839-H859 PolarHBondContact CD2-NE2 3.25Å; H839-H859 VanDerWaalsContact CD2-NE2 3.33Å; H839-H859 AromaticContact NE2-NE2 3.62Å; L857-H859 WeakPolarHBondContact CD2-NE2 3.15Å; H859-P861 WeakPolarHBondContact O-CD 3.25Å; H859-L891 WeakPolarHBondContact CE1-CD1 3.36Å; H859-L891 WeakPolarHBondContact ND1-CD1 3.1Å
860	E	85	Confident	84.5	Confident	7 Å²	7	66.2 Å²	66.2	3%	0.033	33%	0.329	C	S	.	.			trans	-62.1	119.7	167.3	-175.1	166.7	-173.2	0	0	111	Y832 L891 C892 V893 K897 L898	Y832-E860 HydrophobicContact CE1-CG 4.23Å; Y832-E860 PolarHBondContact OH-OE1 2.93Å; E860-L891 PolarHBondContact N-O 3.17Å; E860-C892 WeakPolarHBondContact OE2-CA 3.41Å; E860-V893 PolarHBondContact OE2-N 3.11Å; E860-K897 WeakPolarHBondContact OE1-CA 3.2Å; E860-K897 WeakPolarHBondContact OE1-CB 3.2Å; E860-K897 PolarHBondContact OE1-N 3.24Å; E860-L898 HydrophobicContact CB-CD1 3.65Å; E860-L898 HydrophobicContact CB-CG 4.32Å; E860-L898 HydrophobicContact CG-CB 4.31Å; E860-L898 HydrophobicContact CG-CD1 3.64Å; E860-L898 HydrophobicContact CG-CG 3.76Å; E860-L898 PolarHBondContact OE1-N 3.4Å
861	P	80.1	Confident	84	Confident	23 Å²	23	63.2 Å²	63.2	15%	0.149	32%	0.317	C	S	.	.			trans	-73.9	145.2	174.3	33	-36.2	0	0	0	110.5	H859 T863 L867 I870	H859-P861 WeakPolarHBondContact O-CD 3.25Å; P861-T863 WeakPolarHBondContact CG-O 3.3Å; P861-T863 PolarHBondContact O-N 3.16Å; P861-L867 HydrophobicContact CG-CD1 3.84Å; P861-I870 HydrophobicContact CB-CD1 4.09Å; P861-I870 HydrophobicContact CG-CD1 3.8Å
862	K	76.3	Confident	83.6	Confident	140 Å²	140	69.7 Å²	69.7	61%	0.609	35%	0.347	S	S	*	.	S	Bend	trans	-63.7	-31.5	172	-68.5	-178	-179.9	176.5	0	111.9	Y832 K897	Y832-K862 HydrophobicContact CD1-CG 3.93Å; Y832-K862 HydrophobicContact CE1-CG 4.11Å; Y832-K862 HydrophobicContact CG-CG 4.32Å; K862-K897 PolarHBondContact O-NZ 3.36Å
863	T	73.2	Confident	83.5	Confident	81 Å²	81	68.5 Å²	68.5	50%	0.497	35%	0.349	S	S	.	.	S	Bend	trans	-99.1	140.8	-176.9	-31.2	0	0	0	0	111.1	P861 T865	P861-T863 WeakPolarHBondContact CG-O 3.3Å; P861-T863 PolarHBondContact O-N 3.16Å; T863-T865 VanDerWaalsContact C-N 3.27Å; T863-T865 HydrophobicContact CG2-CG2 4.39Å; T863-T865 PolarHBondContact O-N 3.2Å
864	T	69.7	Low	83.5	Confident	86 Å²	86	61.7 Å²	61.7	53%	0.528	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-68.5	-21	-178.6	34.2	0	0	0	0	114.1	H866 L867 K897	T864-H866 VanDerWaalsContact C-N 3.27Å; T864-H866 PolarHBondContact O-N 2.98Å; T864-L867 WeakPolarHBondContact O-CB 3.45Å; T864-L867 PolarHBondContact O-N 3.18Å; T864-K897 HydrophobicContact CG2-CD 3.81Å
865	T	74.3	Confident	83.4	Confident	100 Å²	100	58 Å²	58	61%	0.613	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-61.2	-30.5	-171.8	50	0	0	0	0	114.3	T863	T863-T865 VanDerWaalsContact C-N 3.27Å; T863-T865 HydrophobicContact CG2-CG2 4.39Å; T863-T865 PolarHBondContact O-N 3.2Å
866	H	74.8	Confident	83.2	Confident	101 Å²	101	61.6 Å²	61.6	47%	0.468	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-104	2.2	-177.1	-59.2	-68.5	0	0	0	113.6	T864 D868 Q869 I870	T864-H866 VanDerWaalsContact C-N 3.27Å; T864-H866 PolarHBondContact O-N 2.98Å; H866-D868 PolarHBondContact O-N 3.35Å; H866-Q869 PolarHBondContact O-N 2.88Å; H866-I870 HydrophobicContact CB-CD1 4.28Å; H866-I870 WeakPolarHBondContact O-CG1 3.03Å; H866-I870 PolarHBondContact O-N 2.56Å; H866-I870 VanDerWaalsContact O-N 3.17Å
867	L	77.3	Confident	83.1	Confident	21 Å²	21	60.9 Å²	60.9	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-48.2	-171.3	-163	69.2	0	0	0	111.9	P861 T864 Q869 I870 M871 L898 I902	P861-L867 HydrophobicContact CG-CD1 3.84Å; T864-L867 WeakPolarHBondContact O-CB 3.45Å; T864-L867 PolarHBondContact O-N 3.18Å; L867-Q869 PolarHBondContact O-N 3.43Å; L867-I870 PolarHBondContact O-N 2.95Å; L867-M871 WeakPolarHBondContact O-CB 3.37Å; L867-M871 VanDerWaalsContact O-CG 3.29Å; L867-M871 WeakPolarHBondContact O-CG 3.37Å; L867-M871 PolarHBondContact O-N 3.23Å; L867-L898 HydrophobicContact CD1-CD1 4.17Å; L867-L898 HydrophobicContact CD1-CD2 3.31Å; L867-L898 HydrophobicContact CD1-CG 3.64Å; L867-L898 HydrophobicContact CD2-CD2 4.09Å; L867-L898 HydrophobicContact CG-CD2 3.76Å; L867-I902 HydrophobicContact CD2-CD1 4.45Å
868	D	80	Confident	82.8	Confident	115 Å²	115	59.7 Å²	59.7	62%	0.615	32%	0.321	S	S	*	.	H	α-helix	trans	-65.7	-38.6	-176.4	-65.6	-25.9	0	0	0	112	H866 M871 Q872	H866-D868 PolarHBondContact O-N 3.35Å; D868-M871 PolarHBondContact O-N 2.96Å; D868-Q872 VanDerWaalsContact O-CG 3.31Å; D868-Q872 WeakPolarHBondContact O-CG 3.44Å; D868-Q872 PolarHBondContact O-N 2.79Å
869	Q	83.9	Confident	82.5	Confident	128 Å²	128	61.4 Å²	61.4	60%	0.598	34%	0.335	S	S	*	.	H	α-helix	trans	-64.6	-45.5	177.6	-68.3	176.8	-15.9	0	0	111.5	H866 L867 M871 Q872 A873	H866-Q869 PolarHBondContact O-N 2.88Å; L867-Q869 PolarHBondContact O-N 3.43Å; Q869-M871 VanDerWaalsContact C-N 3.31Å; Q869-M871 PolarHBondContact O-N 2.89Å; Q869-Q872 PolarHBondContact O-N 3.01Å; Q869-A873 WeakPolarHBondContact O-CB 3.2Å; Q869-A873 PolarHBondContact O-N 2.96Å
870	I	85.8	Confident	82.1	Confident	41 Å²	41	63.2 Å²	63.2	21%	0.21	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-39	178.2	-70.1	168.9	0	0	0	110.5	F858 P861 H866 L867 A873 Y874	F858-I870 HydrophobicContact CB-CG2 4.37Å; F858-I870 HydrophobicContact CD1-CG2 4.3Å; P861-I870 HydrophobicContact CB-CD1 4.09Å; P861-I870 HydrophobicContact CG-CD1 3.8Å; H866-I870 HydrophobicContact CB-CD1 4.28Å; H866-I870 WeakPolarHBondContact O-CG1 3.03Å; H866-I870 PolarHBondContact O-N 2.56Å; H866-I870 VanDerWaalsContact O-N 3.17Å; L867-I870 PolarHBondContact O-N 2.95Å; I870-A873 PolarHBondContact O-N 3.48Å; I870-Y874 VanDerWaalsContact O-CB 3.29Å; I870-Y874 WeakPolarHBondContact O-CB 3.16Å; I870-Y874 PolarHBondContact O-N 3.22Å
871	M	83.6	Confident	81.4	Confident	27 Å²	27	71.7 Å²	71.7	13%	0.133	38%	0.38	C	S	.	.	H	α-helix	trans	-68.7	-39.6	178.9	-76.7	-60.3	-45	0	0	113.4	L867 D868 Q869 Y874 G875 L890 L898 I902 F904	L867-M871 WeakPolarHBondContact O-CB 3.37Å; L867-M871 VanDerWaalsContact O-CG 3.29Å; L867-M871 WeakPolarHBondContact O-CG 3.37Å; L867-M871 PolarHBondContact O-N 3.23Å; D868-M871 PolarHBondContact O-N 2.96Å; Q869-M871 VanDerWaalsContact C-N 3.31Å; Q869-M871 PolarHBondContact O-N 2.89Å; M871-Y874 HydrophobicContact CE-CD1 4.22Å; M871-Y874 PolarHBondContact O-N 3.05Å; M871-G875 PolarHBondContact O-N 3.42Å; M871-L890 HydrophobicContact SD-CD2 4.29Å; M871-L898 HydrophobicContact CG-CD2 3.88Å; M871-L898 HydrophobicContact SD-CD1 4.31Å; M871-L898 HydrophobicContact SD-CD2 3.64Å; M871-I902 HydrophobicContact CE-CD1 4.19Å; M871-I902 HydrophobicContact CE-CG2 3.5Å; M871-I902 VanDerWaalsContact CE-CG2 3.5Å; M871-I902 HydrophobicContact CG-CD1 3.5Å; M871-I902 VanDerWaalsContact CG-CD1 3.5Å; M871-I902 HydrophobicContact SD-CD1 3.85Å; M871-I902 HydrophobicContact SD-CG2 4.2Å; M871-F904 HydrophobicContact CE-CD1 4.45Å; M871-F904 HydrophobicContact CE-CE1 3.79Å; M871-F904 HydrophobicContact CE-CZ 4.46Å; M871-F904 HydrophobicContact SD-CE1 4.35Å
872	Q	85.7	Confident	80.9	Confident	140 Å²	140	74.6 Å²	74.6	65%	0.654	39%	0.394	S	S	*	.	H	α-helix	trans	-62.4	-46.7	172.7	-73.8	175	2.8	0	0	110.6	D868 Q869 Y874 G875 V876	D868-Q872 VanDerWaalsContact O-CG 3.31Å; D868-Q872 WeakPolarHBondContact O-CG 3.44Å; D868-Q872 PolarHBondContact O-N 2.79Å; Q869-Q872 PolarHBondContact O-N 3.01Å; Q872-Y874 PolarHBondContact O-N 3.39Å; Q872-G875 PolarHBondContact O-N 3.17Å; Q872-V876 WeakPolarHBondContact O-CG2 3.36Å; Q872-V876 PolarHBondContact O-N 3.36Å
873	A	88.3	Confident	80.3	Confident	44 Å²	44	77.1 Å²	77.1	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-42.6	177.5	0	0	0	0	0	112.4	F858 Q869 I870 A877	F858-A873 HydrophobicContact CE1-CB 3.63Å; F858-A873 HydrophobicContact CZ-CB 4.16Å; Q869-A873 WeakPolarHBondContact O-CB 3.2Å; Q869-A873 PolarHBondContact O-N 2.96Å; I870-A873 PolarHBondContact O-N 3.48Å; A873-A877 WeakPolarHBondContact O-CB 3.47Å; A873-A877 PolarHBondContact O-N 3.02Å
874	Y	90.7	Very high	80.1	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-61.5	-47	174.4	172.6	-103	0	0	0	111.7	G824 F858 I870 M871 Q872 V876 A877 A878 A888 L890 F904 L908	G824-Y874 WeakPolarHBondContact CA-OH 3.38Å; F858-Y874 HydrophobicContact CB-CD2 4.49Å; F858-Y874 AromaticContact CD2-CD2 3.79Å; F858-Y874 HydrophobicContact CD2-CD2 3.79Å; F858-Y874 HydrophobicContact CE2-CD2 4.36Å; F858-Y874 HydrophobicContact CG-CD2 4.33Å; I870-Y874 VanDerWaalsContact O-CB 3.29Å; I870-Y874 WeakPolarHBondContact O-CB 3.16Å; I870-Y874 PolarHBondContact O-N 3.22Å; M871-Y874 HydrophobicContact CE-CD1 4.22Å; M871-Y874 PolarHBondContact O-N 3.05Å; Q872-Y874 PolarHBondContact O-N 3.39Å; Y874-V876 VanDerWaalsContact C-N 3.33Å; Y874-V876 PolarHBondContact O-N 3.48Å; Y874-A877 PolarHBondContact O-N 2.97Å; Y874-A878 HydrophobicContact CE1-CB 4.32Å; Y874-A878 HydrophobicContact CE2-CB 4.42Å; Y874-A878 VanDerWaalsContact O-CB 3.25Å; Y874-A878 WeakPolarHBondContact O-CB 3.47Å; Y874-A878 PolarHBondContact O-N 3.19Å; Y874-A888 HydrophobicContact CD2-CB 3.63Å; Y874-A888 HydrophobicContact CE2-CB 3.56Å; Y874-L890 HydrophobicContact CD1-CD2 4.24Å; Y874-L890 HydrophobicContact CD2-CB 3.75Å; Y874-L890 HydrophobicContact CD2-CD2 4.47Å; Y874-L890 HydrophobicContact CD2-CG 4.48Å; Y874-L890 HydrophobicContact CE1-CD2 4.23Å; Y874-L890 HydrophobicContact CE2-CB 3.45Å; Y874-L890 VanDerWaalsContact CE2-CB 3.45Å; Y874-L890 HydrophobicContact CE2-CD2 4.47Å; Y874-L890 HydrophobicContact CG-CB 4.42Å; Y874-L890 HydrophobicContact CG-CD2 4.35Å; Y874-F904 HydrophobicContact CD1-CE1 4.44Å; Y874-F904 HydrophobicContact CE1-CD1 4.1Å; Y874-F904 AromaticContact CE1-CE1 3.99Å; Y874-F904 HydrophobicContact CE1-CE1 3.99Å; Y874-L908 WeakPolarHBondContact CE1-O 3.47Å; Y874-L908 PolarHBondContact OH-O 3.23Å
875	G	88.2	Confident	80.1	Confident	15 Å²	15	79.9 Å²	79.9	16%	0.155	41%	0.405	C	S	.	.	H	α-helix	trans	-62.4	-40.3	-178.4	0	0	0	0	0	112.9	M871 Q872 T879 L908	M871-G875 PolarHBondContact O-N 3.42Å; Q872-G875 PolarHBondContact O-N 3.17Å; G875-T879 WeakPolarHBondContact O-CG2 3.33Å; G875-T879 PolarHBondContact O-N 3.29Å; G875-T879 PolarHBondContact O-OG1 3.06Å; G875-L908 VanDerWaalsContact CA-CD2 3.49Å
876	V	87.3	Confident	80.3	Confident	75 Å²	75	80.5 Å²	80.5	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-48.3	172.8	174	0	0	0	0	110.6	Q872 Y874 A878 T879 Q880	Q872-V876 WeakPolarHBondContact O-CG2 3.36Å; Q872-V876 PolarHBondContact O-N 3.36Å; Y874-V876 VanDerWaalsContact C-N 3.33Å; Y874-V876 PolarHBondContact O-N 3.48Å; V876-A878 PolarHBondContact O-N 3.42Å; V876-T879 PolarHBondContact O-N 3.12Å; V876-T879 PolarHBondContact O-OG1 3.26Å; V876-Q880 VanDerWaalsContact CG1-CD 3.5Å; V876-Q880 HydrophobicContact CG1-CG 4.16Å; V876-Q880 WeakPolarHBondContact O-CB 3.48Å; V876-Q880 WeakPolarHBondContact O-CG 3.4Å; V876-Q880 PolarHBondContact O-N 3.09Å
877	A	88.5	Confident	81	Confident	13 Å²	13	75.8 Å²	75.8	11%	0.107	38%	0.379	C	S	.	.	H	α-helix	trans	-68.3	-31.1	-178.7	0	0	0	0	0	113.8	F858 A873 Y874 G887 A888	F858-A877 HydrophobicContact CE2-CB 3.65Å; F858-A877 HydrophobicContact CZ-CB 3.87Å; A873-A877 WeakPolarHBondContact O-CB 3.47Å; A873-A877 PolarHBondContact O-N 3.02Å; Y874-A877 PolarHBondContact O-N 2.97Å; A877-G887 CarbonylContact O-C 3.4Å; A877-G887 WeakPolarHBondContact O-CA 3.44Å; A877-A888 HydrophobicContact CB-CB 3.84Å
878	A	87.1	Confident	81.7	Confident	3 Å²	3	74.8 Å²	74.8	3%	0.025	37%	0.374	C	S	.	.	H	α-helix	trans	-72.1	-33.7	179.4	0	0	0	0	0	112.6	Y874 V876 A888 L908	Y874-A878 HydrophobicContact CE1-CB 4.32Å; Y874-A878 HydrophobicContact CE2-CB 4.42Å; Y874-A878 VanDerWaalsContact O-CB 3.25Å; Y874-A878 WeakPolarHBondContact O-CB 3.47Å; Y874-A878 PolarHBondContact O-N 3.19Å; V876-A878 PolarHBondContact O-N 3.42Å; A878-A888 HydrophobicContact CB-CB 4.16Å; A878-L908 HydrophobicContact CB-CD2 4.3Å
879	T	84.4	Confident	82.4	Confident	75 Å²	75	69.3 Å²	69.3	46%	0.46	35%	0.345	S	S	.	.	H	α-helix	trans	-92.6	-25.9	-177.1	53.6	0	0	0	0	113.3	G875 V876 K881 D907 L908	G875-T879 WeakPolarHBondContact O-CG2 3.33Å; G875-T879 PolarHBondContact O-N 3.29Å; G875-T879 PolarHBondContact O-OG1 3.06Å; V876-T879 PolarHBondContact O-N 3.12Å; V876-T879 PolarHBondContact O-OG1 3.26Å; T879-K881 PolarHBondContact O-N 3.49Å; T879-D907 HydrophobicContact CG2-CB 4.26Å; T879-L908 HydrophobicContact CG2-CD2 4.45Å
880	Q	80	Confident	82.8	Confident	92 Å²	92	63.2 Å²	63.2	43%	0.43	32%	0.317	S	S	.	.			trans	-67.8	125.7	179.1	-81	179	-3.1	0	0	112.6	V876 L882	V876-Q880 VanDerWaalsContact CG1-CD 3.5Å; V876-Q880 HydrophobicContact CG1-CG 4.16Å; V876-Q880 WeakPolarHBondContact O-CB 3.48Å; V876-Q880 WeakPolarHBondContact O-CG 3.4Å; V876-Q880 PolarHBondContact O-N 3.09Å; Q880-L882 HydrophobicContact CB-CG 4.43Å; Q880-L882 PolarHBondContact O-N 2.83Å
881	K	69.7	Low	83.1	Confident	185 Å²	185	61.3 Å²	61.3	80%	0.804	31%	0.307	S	S	*	.			trans	-90	82.2	171.1	-66.1	180	-177.6	172	0	109.9	T879	T879-K881 PolarHBondContact O-N 3.49Å
882	L	69.2	Low	83.5	Confident	84 Å²	84	60 Å²	60	44%	0.44	30%	0.3	S	S	.	.			trans	-79.1	151.1	173.3	-62.1	169.8	0	0	0	110.3	Q880 H884 K885	Q880-L882 HydrophobicContact CB-CG 4.43Å; Q880-L882 PolarHBondContact O-N 2.83Å; L882-H884 PolarHBondContact O-N 3.19Å; L882-K885 HydrophobicContact CB-CB 4.31Å; L882-K885 WeakPolarHBondContact CB-O 3.45Å; L882-K885 HydrophobicContact CD1-CB 4.29Å; L882-K885 PolarHBondContact N-O 2.88Å; L882-K885 VanDerWaalsContact O-O 3.11Å
883	K	65.3	Low	83.7	Confident	194 Å²	194	53.8 Å²	53.8	84%	0.843	27%	0.272	S	S	*	.	S	Bend	trans	-58.4	-32.2	179	-77.6	-174.2	177.1	179.6	0	113.5
884	H	68	Low	83.7	Confident	158 Å²	158	52.2 Å²	52.2	73%	0.731	26%	0.257	S	S	*	.	S	Bend	trans	-116.3	-11.9	-173.8	-59.6	-59.7	0	0	0	114.2	L882	L882-H884 PolarHBondContact O-N 3.19Å
885	K	70.4	Confident	83.2	Confident	66 Å²	66	54 Å²	54	29%	0.287	28%	0.275	S	S	.	.			trans	-129.2	126.4	177.7	-64.6	-167.5	-176.1	-156.7	0	109.4	E852 Y854 L882	E852-K885 WeakPolarHBondContact O-CE 3.49Å; E852-K885 PolarHBondContact O-NZ 2.9Å; Y854-K885 WeakPolarHBondContact O-CA 3.42Å; L882-K885 HydrophobicContact CB-CB 4.31Å; L882-K885 WeakPolarHBondContact CB-O 3.45Å; L882-K885 HydrophobicContact CD1-CB 4.29Å; L882-K885 PolarHBondContact N-O 2.88Å; L882-K885 VanDerWaalsContact O-O 3.11Å
886	H	78.2	Confident	82.7	Confident	113 Å²	113	53.6 Å²	53.6	52%	0.523	27%	0.272	S	S	.	.			trans	-108.8	46.7	-173.3	-65.9	-51.5	0	0	0	112.3	A823 Y854 K855	A823-H886 PolarHBondContact N-O 3.07Å; A823-H886 VanDerWaalsContact N-O 3.16Å; Y854-H886 PolarHBondContact O-N 3.31Å; K855-H886 PolarHBondContact NZ-O 3.44Å
887	G	88.6	Confident	81.9	Confident	2 Å²	2	54 Å²	54	2%	0.021	27%	0.267	C	S	.	.	S	Bend	trans	124	-158.1	177.5	0	0	0	0	0	113.5	K855 S856 A877	K855-G887 WeakPolarHBondContact CA-O 3.43Å; S856-G887 PolarHBondContact N-O 2.77Å; S856-G887 VanDerWaalsContact N-O 3.14Å; A877-G887 CarbonylContact O-C 3.4Å; A877-G887 WeakPolarHBondContact O-CA 3.44Å
888	A	92.8	Very high	81	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.9	-175	0	0	0	0	0	112.2	G824 I825 S856 F858 Y874 A877 A878	G824-A888 WeakPolarHBondContact CA-O 3.48Å; I825-A888 PolarHBondContact N-O 3.13Å; S856-A888 CarbonylContact O-C 3.54Å; S856-A888 VanDerWaalsContact O-CA 3.3Å; S856-A888 WeakPolarHBondContact O-CA 2.94Å; F858-A888 HydrophobicContact CD2-CB 4.15Å; F858-A888 HydrophobicContact CE2-CB 3.97Å; Y874-A888 HydrophobicContact CD2-CB 3.63Å; Y874-A888 HydrophobicContact CE2-CB 3.56Å; A877-A888 HydrophobicContact CB-CB 3.84Å; A878-A888 HydrophobicContact CB-CB 4.16Å
889	L	93.9	Very high	80	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.4	173.2	-173.3	72.4	0	0	0	108.2	I814 I825 V827 I851 K855 S856 L857 F858 L891	I814-L889 HydrophobicContact CG2-CD1 4.42Å; I814-L889 HydrophobicContact CG2-CD2 3.96Å; I825-L889 HydrophobicContact CB-CD1 3.59Å; I825-L889 HydrophobicContact CG2-CD1 3.44Å; I825-L889 VanDerWaalsContact CG2-CD1 3.44Å; I825-L889 CarbonylContact O-C 3.52Å; I825-L889 WeakPolarHBondContact O-CA 3.42Å; V827-L889 HydrophobicContact CG2-CD1 3.46Å; V827-L889 VanDerWaalsContact CG2-CD1 3.46Å; V827-L889 HydrophobicContact CG2-CG 4.17Å; I851-L889 HydrophobicContact CG2-CD2 3.71Å; K855-L889 HydrophobicContact CB-CB 4.05Å; S856-L889 PolarHBondContact O-N 2.77Å; L857-L889 CarbonylContact C-O 3.59Å; L857-L889 WeakPolarHBondContact CA-O 3.35Å; L857-L889 HydrophobicContact CD1-CB 4.28Å; L857-L889 HydrophobicContact CD1-CD2 3.85Å; L857-L889 HydrophobicContact CD1-CG 4.21Å; F858-L889 PolarHBondContact N-O 3.04Å; L889-L891 HydrophobicContact CD2-CD2 4.29Å; L889-L891 HydrophobicContact CG-CD2 4.42Å
890	L	93.2	Very high	79.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.1	176.9	178.7	66	0	0	0	110	I825 V827 F858 M871 Y874 C892 L898 F904	I825-L890 PolarHBondContact O-N 3.14Å; V827-L890 PolarHBondContact N-O 3.38Å; F858-L890 HydrophobicContact CB-CD1 3.66Å; M871-L890 HydrophobicContact SD-CD2 4.29Å; Y874-L890 HydrophobicContact CD1-CD2 4.24Å; Y874-L890 HydrophobicContact CD2-CB 3.75Å; Y874-L890 HydrophobicContact CD2-CD2 4.47Å; Y874-L890 HydrophobicContact CD2-CG 4.48Å; Y874-L890 HydrophobicContact CE1-CD2 4.23Å; Y874-L890 HydrophobicContact CE2-CB 3.45Å; Y874-L890 VanDerWaalsContact CE2-CB 3.45Å; Y874-L890 HydrophobicContact CE2-CD2 4.47Å; Y874-L890 HydrophobicContact CG-CB 4.42Å; Y874-L890 HydrophobicContact CG-CD2 4.35Å; L890-C892 VanDerWaalsContact CD2-SG 3.57Å; L890-C892 VanDerWaalsContact CG-SG 3.54Å; L890-L898 HydrophobicContact CD1-CD1 4.33Å; L890-L898 HydrophobicContact CD2-CD1 4.27Å; L890-F904 HydrophobicContact CD2-CE1 3.67Å; L890-F904 HydrophobicContact CD2-CZ 3.74Å
891	L	92.8	Very high	78.2	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.2	170.6	-54.2	-168.9	0	0	0	109.9	V827 Q835 W842 L857 F858 H859 E860 L889	V827-L891 HydrophobicContact CB-CD2 3.58Å; V827-L891 HydrophobicContact CG1-CD2 3.98Å; V827-L891 HydrophobicContact CG2-CD2 3.89Å; Q835-L891 HydrophobicContact CG-CB 4.32Å; Q835-L891 HydrophobicContact CG-CD1 4.35Å; W842-L891 HydrophobicContact CZ3-CD1 4.16Å; L857-L891 HydrophobicContact CD1-CD1 4.41Å; L857-L891 HydrophobicContact CD1-CG 4.04Å; F858-L891 PolarHBondContact O-N 3.43Å; H859-L891 WeakPolarHBondContact CE1-CD1 3.36Å; H859-L891 WeakPolarHBondContact ND1-CD1 3.1Å; E860-L891 PolarHBondContact N-O 3.17Å; L889-L891 HydrophobicContact CD2-CD2 4.29Å; L889-L891 HydrophobicContact CG-CD2 4.42Å
892	C	91.3	Very high	78.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	159.7	176.6	-65.4	0	0	0	0	110.9	V827 F828 T829 E860 L890	V827-C892 PolarHBondContact O-N 3.03Å; F828-C892 WeakPolarHBondContact CA-O 3.43Å; F828-C892 HydrophobicContact CD1-CB 3.79Å; F828-C892 HydrophobicContact CE1-CB 3.82Å; T829-C892 PolarHBondContact N-O 2.93Å; T829-C892 PolarHBondContact OG1-O 2.83Å; E860-C892 WeakPolarHBondContact OE2-CA 3.41Å; L890-C892 VanDerWaalsContact CD2-SG 3.57Å; L890-C892 VanDerWaalsContact CG-SG 3.54Å
893	V	90.3	Very high	78	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.8	166.7	179.3	0	0	0	0	108.8	T829 Y832 Q835 E860 G896 S899	T829-V893 WeakPolarHBondContact O-CA 3.36Å; Y832-V893 HydrophobicContact CD1-CG2 3.48Å; Y832-V893 VanDerWaalsContact CD1-CG2 3.48Å; Y832-V893 HydrophobicContact CD2-CB 4.43Å; Y832-V893 HydrophobicContact CD2-CG1 4.35Å; Y832-V893 HydrophobicContact CD2-CG2 3.95Å; Y832-V893 HydrophobicContact CE1-CB 4.32Å; Y832-V893 HydrophobicContact CE1-CG2 3.64Å; Y832-V893 HydrophobicContact CE2-CB 4.19Å; Y832-V893 HydrophobicContact CE2-CG1 4.31Å; Y832-V893 HydrophobicContact CE2-CG2 4.06Å; Y832-V893 HydrophobicContact CG-CG2 3.65Å; Q835-V893 VanDerWaalsContact OE1-CG2 3.32Å; E860-V893 PolarHBondContact OE2-N 3.11Å; V893-G896 WeakPolarHBondContact O-CA 3.35Å; V893-G896 PolarHBondContact O-N 3.22Å; V893-S899 WeakPolarHBondContact O-CB 3.21Å; V893-S899 PolarHBondContact O-OG 2.86Å
894	I	87.9	Confident	78.6	Confident	11 Å²	11	35.5 Å²	35.5	6%	0.056	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	132.5	175.1	-157.3	166.9	0	0	0	110.3	F828 T829 G896 I914 P918 L960 I961 A964	F828-I894 HydrophobicContact CB-CB 4.2Å; F828-I894 HydrophobicContact CB-CD1 4.46Å; F828-I894 HydrophobicContact CD1-CB 4.39Å; T829-I894 PolarHBondContact O-N 2.87Å; I894-G896 PolarHBondContact O-N 3.01Å; I894-I914 HydrophobicContact CD1-CG2 4.24Å; I894-P918 HydrophobicContact CD1-CG 4.13Å; I894-P918 HydrophobicContact CG2-CB 3.32Å; I894-P918 HydrophobicContact CG2-CG 3.64Å; I894-L960 HydrophobicContact CD1-CB 4.33Å; I894-L960 HydrophobicContact CG1-CB 4.17Å; I894-I961 HydrophobicContact CD1-CG1 4.17Å; I894-A964 HydrophobicContact CD1-CB 3.94Å; I894-A964 HydrophobicContact CG1-CB 4.19Å
895	G	80.1	Confident	79	Confident	37 Å²	37	30.3 Å²	30.3	38%	0.381	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	4.4	-164.8	0	0	0	0	0	113.9	S899	G895-S899 VanDerWaalsContact C-OG 3.29Å; G895-S899 VanDerWaalsContact CA-OG 3.25Å; G895-S899 WeakPolarHBondContact CA-OG 3.45Å; G895-S899 PolarHBondContact N-OG 3.46Å
896	G	76.7	Confident	79.7	Confident	8 Å²	8	30 Å²	30	8%	0.082	18%	0.179	C	C	.	.	S	Bend	trans	-73.2	175.1	169.5	0	0	0	0	0	112.8	V893 I894 L898 S899 E900	V893-G896 WeakPolarHBondContact O-CA 3.35Å; V893-G896 PolarHBondContact O-N 3.22Å; I894-G896 PolarHBondContact O-N 3.01Å; G896-L898 VanDerWaalsContact C-N 3.35Å; G896-L898 PolarHBondContact O-N 2.88Å; G896-S899 PolarHBondContact N-OG 3.43Å; G896-S899 PolarHBondContact O-N 3.37Å; G896-S899 VanDerWaalsContact O-N 3.15Å; G896-S899 PolarHBondContact O-OG 3.08Å; G896-E900 PolarHBondContact O-N 2.91Å
897	K	71.3	Confident	80.2	Confident	84 Å²	84	27.6 Å²	27.6	37%	0.365	17%	0.17	S	C	.	.	H	α-helix	trans	-61.9	-42.3	-175.5	-66.9	171.9	176.7	171.9	0	111.6	E860 K862 T864 G901	E860-K897 WeakPolarHBondContact OE1-CA 3.2Å; E860-K897 WeakPolarHBondContact OE1-CB 3.2Å; E860-K897 PolarHBondContact OE1-N 3.24Å; K862-K897 PolarHBondContact O-NZ 3.36Å; T864-K897 HydrophobicContact CG2-CD 3.81Å; K897-G901 PolarHBondContact O-N 2.97Å; K897-G901 VanDerWaalsContact O-N 3.08Å
898	L	70	Confident	80.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.8	-35.6	177.3	-70.1	-176.8	0	0	0	112.3	E860 L867 M871 L890 G896 I902	E860-L898 HydrophobicContact CB-CD1 3.65Å; E860-L898 HydrophobicContact CB-CG 4.32Å; E860-L898 HydrophobicContact CG-CB 4.31Å; E860-L898 HydrophobicContact CG-CD1 3.64Å; E860-L898 HydrophobicContact CG-CG 3.76Å; E860-L898 PolarHBondContact OE1-N 3.4Å; L867-L898 HydrophobicContact CD1-CD1 4.17Å; L867-L898 HydrophobicContact CD1-CD2 3.31Å; L867-L898 HydrophobicContact CD1-CG 3.64Å; L867-L898 HydrophobicContact CD2-CD2 4.09Å; L867-L898 HydrophobicContact CG-CD2 3.76Å; M871-L898 HydrophobicContact CG-CD2 3.88Å; M871-L898 HydrophobicContact SD-CD1 4.31Å; M871-L898 HydrophobicContact SD-CD2 3.64Å; L890-L898 HydrophobicContact CD1-CD1 4.33Å; L890-L898 HydrophobicContact CD2-CD1 4.27Å; G896-L898 VanDerWaalsContact C-N 3.35Å; G896-L898 PolarHBondContact O-N 2.88Å; L898-I902 HydrophobicContact CD2-CB 4.45Å; L898-I902 HydrophobicContact CD2-CD1 3.23Å; L898-I902 HydrophobicContact CD2-CG1 3.78Å; L898-I902 PolarHBondContact O-N 3.28Å
899	S	65.9	Low	80	Confident	8 Å²	8	29.3 Å²	29.3	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-70	-33.5	-177.4	76.6	0	0	0	0	113.4	V893 G895 G896	V893-S899 WeakPolarHBondContact O-CB 3.21Å; V893-S899 PolarHBondContact O-OG 2.86Å; G895-S899 VanDerWaalsContact C-OG 3.29Å; G895-S899 VanDerWaalsContact CA-OG 3.25Å; G895-S899 WeakPolarHBondContact CA-OG 3.45Å; G895-S899 PolarHBondContact N-OG 3.46Å; G896-S899 PolarHBondContact N-OG 3.43Å; G896-S899 PolarHBondContact O-N 3.37Å; G896-S899 VanDerWaalsContact O-N 3.15Å; G896-S899 PolarHBondContact O-OG 3.08Å
900	E	65.3	Low	80	Confident	66 Å²	66	29.7 Å²	29.7	31%	0.308	18%	0.18	S	C	.	.	H	α-helix	trans	-87.8	-41.8	177.5	-71.9	-163.6	155.3	0	0	112.7	R280 G896	R280-E900 IonicContact CZ-OE2 2.75Å; R280-E900 IonicContact NH1-OE1 3.2Å; R280-E900 PolarHBondContact NH1-OE1 3.06Å; R280-E900 IonicContact NH1-OE2 2.71Å; R280-E900 PolarHBondContact NH1-OE2 3Å; R280-E900 IonicContact NH2-OE2 3.57Å; G896-E900 PolarHBondContact O-N 2.91Å
901	G	61	Low	80	Confident	63 Å²	63	29.7 Å²	29.7	65%	0.649	18%	0.18	S	C	*	.	H	α-helix	trans	-97.2	-12.9	-161.8	0	0	0	0	0	116.9	K897	K897-G901 PolarHBondContact O-N 2.97Å; K897-G901 VanDerWaalsContact O-N 3.08Å
902	I	67.1	Low	80.1	Confident	30 Å²	30	29.7 Å²	29.7	15%	0.154	18%	0.18	C	C	.	.			trans	-114.8	141.6	-165.5	-61.2	-146	0	0	0	114.2	L867 M871 L898 F904	L867-I902 HydrophobicContact CD2-CD1 4.45Å; M871-I902 HydrophobicContact CE-CD1 4.19Å; M871-I902 HydrophobicContact CE-CG2 3.5Å; M871-I902 VanDerWaalsContact CE-CG2 3.5Å; M871-I902 HydrophobicContact CG-CD1 3.5Å; M871-I902 VanDerWaalsContact CG-CD1 3.5Å; M871-I902 HydrophobicContact SD-CD1 3.85Å; M871-I902 HydrophobicContact SD-CG2 4.2Å; L898-I902 HydrophobicContact CD2-CB 4.45Å; L898-I902 HydrophobicContact CD2-CD1 3.23Å; L898-I902 HydrophobicContact CD2-CG1 3.78Å; L898-I902 PolarHBondContact O-N 3.28Å; I902-F904 HydrophobicContact CG2-CE1 4.2Å; I902-F904 HydrophobicContact CG2-CE2 4.36Å; I902-F904 HydrophobicContact CG2-CZ 4.08Å; I902-F904 PolarHBondContact O-N 3.12Å
903	N	68.6	Low	80.3	Confident	86 Å²	86	29.7 Å²	29.7	46%	0.46	18%	0.18	S	C	.	.			trans	-97.2	75.7	-171.9	-96.4	3.6	0	0	0	113.1	T905 R970	N903-T905 PolarHBondContact O-N 3.37Å; N903-R970 VanDerWaalsContact CG-CZ 3.41Å; N903-R970 PolarHBondContact O-NH1 3.17Å; N903-R970 PolarHBondContact OD1-NH1 2.87Å; N903-R970 VanDerWaalsContact OD1-NH1 3.08Å
904	F	77.4	Confident	80.6	Confident	3 Å²	3	29.4 Å²	29.4	1%	0.013	18%	0.178	C	C	.	.			trans	-66.6	113.3	167.4	-48.9	-75.7	0	0	0	112.8	V826 M871 Y874 L890 I902 L908 A909 R967 R970	V826-F904 HydrophobicContact CG2-CD1 4.2Å; V826-F904 HydrophobicContact CG2-CE1 4.16Å; V826-F904 HydrophobicContact CG2-CG 4.42Å; V826-F904 HydrophobicContact CG2-CZ 4.36Å; M871-F904 HydrophobicContact CE-CD1 4.45Å; M871-F904 HydrophobicContact CE-CE1 3.79Å; M871-F904 HydrophobicContact CE-CZ 4.46Å; M871-F904 HydrophobicContact SD-CE1 4.35Å; Y874-F904 HydrophobicContact CD1-CE1 4.44Å; Y874-F904 HydrophobicContact CE1-CD1 4.1Å; Y874-F904 AromaticContact CE1-CE1 3.99Å; Y874-F904 HydrophobicContact CE1-CE1 3.99Å; L890-F904 HydrophobicContact CD2-CE1 3.67Å; L890-F904 HydrophobicContact CD2-CZ 3.74Å; I902-F904 HydrophobicContact CG2-CE1 4.2Å; I902-F904 HydrophobicContact CG2-CE2 4.36Å; I902-F904 HydrophobicContact CG2-CZ 4.08Å; I902-F904 PolarHBondContact O-N 3.12Å; F904-L908 HydrophobicContact CB-CB 4.19Å; F904-L908 HydrophobicContact CD1-CB 4.28Å; F904-A909 HydrophobicContact CB-CB 3.39Å; F904-A909 HydrophobicContact CD1-CB 4.43Å; F904-A909 HydrophobicContact CG-CB 3.93Å; F904-R967 HydrophobicContact CD2-CB 4.48Å; F904-R970 PolarHBondContact O-NH2 3.1Å
905	T	76.8	Confident	80.9	Confident	50 Å²	50	29 Å²	29	31%	0.307	18%	0.176	S	C	.	.			trans	-116.6	146.2	173.9	48.9	0	0	0	0	109.2	N903 D907 L908 R970	N903-T905 PolarHBondContact O-N 3.37Å; T905-D907 PolarHBondContact O-N 2.97Å; T905-L908 VanDerWaalsContact O-CB 3.24Å; T905-L908 WeakPolarHBondContact O-CB 3.49Å; T905-L908 WeakPolarHBondContact O-CG 3.45Å; T905-L908 PolarHBondContact O-N 3.33Å; T905-L908 VanDerWaalsContact O-N 3.09Å; T905-R970 HydrophobicContact CG2-CB 3.83Å; T905-R970 HydrophobicContact CG2-CG 3.71Å
906	D	85.5	Confident	81.6	Confident	60 Å²	60	27.2 Å²	27.2	32%	0.321	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	54.1	-124.9	171	-64.5	-59.2	0	0	0	114.1	L908 A909 R910 H971	D906-L908 PolarHBondContact O-N 2.89Å; D906-L908 VanDerWaalsContact O-N 3.08Å; D906-A909 PolarHBondContact O-N 3.02Å; D906-R910 PolarHBondContact O-NE 3.48Å; D906-R910 IonicContact OD1-CZ 3.8Å; D906-R910 IonicContact OD1-NH2 3.89Å; D906-R910 PolarHBondContact OD1-NH2 3.16Å; D906-H971 IonicContact OD1-CE1 2.96Å; D906-H971 PolarHBondContact OD1-CE1 3.49Å; D906-H971 IonicContact OD1-NE2 3.6Å; D906-H971 PolarHBondContact OD1-NE2 3.06Å; D906-H971 IonicContact OD2-NE2 3.73Å; D906-H971 PolarHBondContact OD2-NE2 3.2Å
907	D	88.1	Confident	82.4	Confident	61 Å²	61	27.3 Å²	27.3	33%	0.326	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-67	-9.6	-176.3	-71.8	-5.9	0	0	0	113.2	A823 G824 T879 T905 A909 R910	A823-D907 HydrophobicContact CB-CB 4Å; G824-D907 WeakPolarHBondContact CA-O 3.15Å; G824-D907 PolarHBondContact N-O 3.03Å; T879-D907 HydrophobicContact CG2-CB 4.26Å; T905-D907 PolarHBondContact O-N 2.97Å; D907-A909 VanDerWaalsContact C-N 3.34Å; D907-R910 IonicContact OD1-CZ 3.84Å; D907-R910 IonicContact OD1-NE 3.6Å; D907-R910 PolarHBondContact OD1-NE 2.91Å; D907-R910 VanDerWaalsContact OD1-NE 3.1Å; D907-R910 IonicContact OD1-NH2 3.75Å
908	L	87.3	Confident	83.3	Confident	36 Å²	36	24 Å²	24	19%	0.188	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-71.5	-25.1	173.8	-60.4	178.1	0	0	0	113	Y874 G875 A878 T879 F904 T905 D906	Y874-L908 WeakPolarHBondContact CE1-O 3.47Å; Y874-L908 PolarHBondContact OH-O 3.23Å; G875-L908 VanDerWaalsContact CA-CD2 3.49Å; A878-L908 HydrophobicContact CB-CD2 4.3Å; T879-L908 HydrophobicContact CG2-CD2 4.45Å; F904-L908 HydrophobicContact CB-CB 4.19Å; F904-L908 HydrophobicContact CD1-CB 4.28Å; T905-L908 VanDerWaalsContact O-CB 3.24Å; T905-L908 WeakPolarHBondContact O-CB 3.49Å; T905-L908 WeakPolarHBondContact O-CG 3.45Å; T905-L908 PolarHBondContact O-N 3.33Å; T905-L908 VanDerWaalsContact O-N 3.09Å; D906-L908 PolarHBondContact O-N 2.89Å; D906-L908 VanDerWaalsContact O-N 3.08Å
909	A	90.2	Very high	84.3	Confident	2 Å²	2	26.1 Å²	26.1	2%	0.017	15%	0.152	C	C	.	.			trans	-155.1	61.1	178	0	0	0	0	0	112.8	V826 F904 D906 D907 V911	V826-A909 HydrophobicContact CG2-CB 3.79Å; F904-A909 HydrophobicContact CB-CB 3.39Å; F904-A909 HydrophobicContact CD1-CB 4.43Å; F904-A909 HydrophobicContact CG-CB 3.93Å; D906-A909 PolarHBondContact O-N 3.02Å; D907-A909 VanDerWaalsContact C-N 3.34Å; A909-V911 PolarHBondContact O-N 3.15Å
910	R	92.3	Very high	85.4	Confident	9 Å²	9	27.4 Å²	27.4	3%	0.034	16%	0.163	C	C	.	.	S	Bend	trans	-66.8	-28.8	174.2	-71.7	-64.8	175.7	-147.5	-3.1	112.6	A823 G824 D906 D907 D974 Y975 A976 A977 F1038	A823-R910 HydrophobicContact CB-CB 4.23Å; A823-R910 HydrophobicContact CB-CG 3.82Å; G824-R910 PolarHBondContact O-N 2.84Å; G824-R910 VanDerWaalsContact O-N 3.1Å; D906-R910 PolarHBondContact O-NE 3.48Å; D906-R910 IonicContact OD1-CZ 3.8Å; D906-R910 IonicContact OD1-NH2 3.89Å; D906-R910 PolarHBondContact OD1-NH2 3.16Å; D907-R910 IonicContact OD1-CZ 3.84Å; D907-R910 IonicContact OD1-NE 3.6Å; D907-R910 PolarHBondContact OD1-NE 2.91Å; D907-R910 VanDerWaalsContact OD1-NE 3.1Å; D907-R910 IonicContact OD1-NH2 3.75Å; R910-D974 IonicContact CZ-OD1 3.1Å; R910-D974 IonicContact NH1-OD1 2.76Å; R910-D974 PolarHBondContact NH1-OD1 2.87Å; R910-Y975 VanDerWaalsContact NH1-CD1 3.33Å; R910-Y975 VanDerWaalsContact NH1-CE1 3.33Å; R910-Y975 PolarHBondContact NH1-O 3.08Å; R910-A976 CarbonylContact O-C 3.32Å; R910-A976 WeakPolarHBondContact O-CA 3.46Å; R910-A977 PolarHBondContact O-N 2.86Å; R910-F1038 HydrophobicContact CB-CE1 3.85Å; R910-F1038 HydrophobicContact CB-CZ 4.26Å; R910-F1038 HydrophobicContact CG-CE1 4.46Å; R910-F1038 WeakPolarHBondContact O-CZ 3.45Å
911	V	94.3	Very high	86.4	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130	176.9	-174.9	0	0	0	0	109.7	I817 L821 G824 I825 V826 A909 I913 A977 F979 F1038	I817-V911 HydrophobicContact CG2-CG1 4.16Å; L821-V911 HydrophobicContact CB-CG2 3.92Å; L821-V911 HydrophobicContact CD1-CG1 4.26Å; L821-V911 HydrophobicContact CD1-CG2 3.68Å; L821-V911 HydrophobicContact CG-CG2 4.46Å; G824-V911 PolarHBondContact O-N 3.16Å; I825-V911 WeakPolarHBondContact CA-O 3.47Å; I825-V911 HydrophobicContact CB-CB 4.35Å; I825-V911 HydrophobicContact CG1-CB 4.03Å; I825-V911 HydrophobicContact CG1-CG2 4.35Å; I825-V911 HydrophobicContact CG2-CB 4.07Å; I825-V911 HydrophobicContact CG2-CG1 4.1Å; V826-V911 PolarHBondContact N-O 2.75Å; A909-V911 PolarHBondContact O-N 3.15Å; V911-I913 HydrophobicContact CG1-CG1 4.1Å; V911-A977 CarbonylContact C-O 3.58Å; V911-A977 VanDerWaalsContact CA-O 3.29Å; V911-A977 WeakPolarHBondContact CA-O 3.39Å; V911-F979 HydrophobicContact CG1-CD2 3.66Å; V911-F979 HydrophobicContact CG1-CE2 3.73Å; V911-F1038 HydrophobicContact CG2-CE2 4.12Å; V911-F1038 HydrophobicContact CG2-CZ 3.81Å
912	V	94.5	Very high	87.6	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.3	169.5	175.2	0	0	0	0	108.9	V826 F828 I914 A977 V978 F979	V826-V912 CarbonylContact O-C 3.57Å; V826-V912 WeakPolarHBondContact O-CA 3.5Å; F828-V912 HydrophobicContact CD2-CG1 3.61Å; F828-V912 HydrophobicContact CE2-CG1 3.61Å; V912-I914 HydrophobicContact CG1-CG1 4.05Å; V912-A977 PolarHBondContact N-O 3.32Å; V912-V978 HydrophobicContact CB-CG2 4.3Å; V912-V978 CarbonylContact O-C 3.59Å; V912-V978 VanDerWaalsContact O-CA 3.27Å; V912-V978 WeakPolarHBondContact O-CA 3.21Å; V912-F979 PolarHBondContact O-N 2.91Å
913	I	95.9	Very high	88.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.4	175	-52.7	179.8	0	0	0	107.3	I814 I817 I825 V826 V827 F828 V911 I915 F979 M981	I814-I913 HydrophobicContact CG1-CD1 4.21Å; I817-I913 HydrophobicContact CB-CD1 4.37Å; I817-I913 HydrophobicContact CD1-CD1 3.67Å; I817-I913 HydrophobicContact CD1-CG1 4.34Å; I817-I913 HydrophobicContact CG2-CD1 4.01Å; I825-I913 HydrophobicContact CG2-CD1 3.85Å; I825-I913 HydrophobicContact CG2-CG1 4.13Å; V826-I913 PolarHBondContact O-N 3.39Å; V827-I913 CarbonylContact C-O 3.58Å; V827-I913 WeakPolarHBondContact CA-O 3.5Å; V827-I913 HydrophobicContact CG1-CB 4.35Å; V827-I913 HydrophobicContact CG2-CB 4.2Å; V827-I913 HydrophobicContact CG2-CD1 4.15Å; V827-I913 HydrophobicContact CG2-CG1 4.48Å; F828-I913 PolarHBondContact N-O 3.19Å; V911-I913 HydrophobicContact CG1-CG1 4.1Å; I913-I915 HydrophobicContact CG2-CG1 4.33Å; I913-F979 CarbonylContact C-O 3.59Å; I913-F979 WeakPolarHBondContact CA-O 3.45Å; I913-F979 HydrophobicContact CG1-CB 4.32Å; I913-F979 HydrophobicContact CG1-CD2 4.44Å; I913-F979 HydrophobicContact CG2-CB 4.39Å; I913-M981 HydrophobicContact CG2-CG 4.06Å; I913-M981 HydrophobicContact CG2-SD 3.44Å; I913-M981 WeakPolarHBondContact CG2-SD 3.45Å
914	I	95.8	Very high	89.3	Confident	2 Å²	2	31 Å²	31	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.8	175	-55.6	-177.3	0	0	0	107.7	F828 I894 V912 I961 A964 I965 F979 L980 M981 Y985	F828-I914 HydrophobicContact CB-CG1 4.36Å; F828-I914 HydrophobicContact CD2-CG1 4.21Å; I894-I914 HydrophobicContact CD1-CG2 4.24Å; V912-I914 HydrophobicContact CG1-CG1 4.05Å; I914-I961 HydrophobicContact CD1-CG2 3.98Å; I914-A964 HydrophobicContact CD1-CB 4.06Å; I914-I965 HydrophobicContact CD1-CG1 3.92Å; I914-F979 PolarHBondContact N-O 2.94Å; I914-L980 HydrophobicContact CB-CD2 4.04Å; I914-L980 HydrophobicContact CD1-CD2 3.82Å; I914-L980 HydrophobicContact CG1-CD2 4.16Å; I914-M981 PolarHBondContact O-N 3.29Å; I914-Y985 WeakPolarHBondContact CG2-OH 3.4Å
915	I	95.3	Very high	89.7	Confident	1 Å²	1	32 Å²	32	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.9	179.6	-58.4	169.6	0	0	0	108.8	F796 I814 V827 F828 T829 P830 Y834 L838 I913 M981	F796-I915 HydrophobicContact CD1-CG2 3.81Å; F796-I915 HydrophobicContact CD2-CG2 4.36Å; F796-I915 HydrophobicContact CE1-CG2 3.64Å; F796-I915 HydrophobicContact CE2-CG2 4.21Å; F796-I915 HydrophobicContact CG-CG2 4.17Å; F796-I915 HydrophobicContact CZ-CG2 3.85Å; I814-I915 HydrophobicContact CD1-CD1 3.96Å; V827-I915 HydrophobicContact CG1-CD1 3.38Å; V827-I915 HydrophobicContact CG1-CG1 3.94Å; F828-I915 PolarHBondContact O-N 3.19Å; T829-I915 HydrophobicContact CG2-CD1 4.18Å; P830-I915 VanDerWaalsContact CD-O 3.28Å; P830-I915 WeakPolarHBondContact CD-O 3.21Å; P830-I915 WeakPolarHBondContact CG-O 3.34Å; Y834-I915 HydrophobicContact CE1-CG2 4.18Å; L838-I915 HydrophobicContact CD1-CD1 3.95Å; I913-I915 HydrophobicContact CG2-CG1 4.33Å; I915-M981 HydrophobicContact CG1-SD 4.33Å
916	G	93.9	Very high	90.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	63.1	-168.8	-179.1	0	0	0	0	0	113.6	M981 D982 Y985	G916-M981 PolarHBondContact N-O 2.98Å; G916-D982 WeakPolarHBondContact CA-OD2 3.5Å; G916-Y985 PolarHBondContact O-OH 2.91Å; G916-Y985 VanDerWaalsContact O-OH 3.08Å
917	M	93.1	Very high	90.6	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.049	16%	0.164	C	C	.	.			trans	-119.3	130.1	178.2	-62.6	-175.4	72.9	0	0	110	Y919 M958 I961 R984 Y985 I990	M917-Y919 HydrophobicContact CB-CD2 3.7Å; M917-Y919 HydrophobicContact CB-CE2 3.76Å; M917-Y919 HydrophobicContact CE-CE2 3.72Å; M917-Y919 HydrophobicContact CG-CE2 4.41Å; M917-Y919 PolarHBondContact O-N 3.09Å; M917-Y919 HydrophobicContact SD-CE2 3.78Å; M917-M958 HydrophobicContact CE-SD 3.58Å; M917-M958 VanDerWaalsContact CE-SD 3.58Å; M917-I961 HydrophobicContact CB-CD1 4.45Å; M917-I961 HydrophobicContact CE-CD1 3.94Å; M917-I961 HydrophobicContact CG-CD1 4.3Å; M917-R984 HydrophobicContact SD-CB 3.68Å; M917-Y985 HydrophobicContact CE-CE1 4.46Å; M917-Y985 HydrophobicContact CG-CE1 4.23Å; M917-Y985 HydrophobicContact CG-CE2 4.07Å; M917-I990 HydrophobicContact CE-CD1 4.01Å; M917-I990 HydrophobicContact CE-CG1 4.33Å; M917-I990 HydrophobicContact CE-CG2 3.78Å; M917-I990 HydrophobicContact SD-CG2 4.49Å
918	P	90.9	Very high	90.8	Very high	14 Å²	14	32.4 Å²	32.4	9%	0.091	17%	0.169	C	C	.	.			trans	-79.8	53.9	-176.5	36.6	-40.3	0	0	0	113	I894 A920 C957 L960 I961	I894-P918 HydrophobicContact CD1-CG 4.13Å; I894-P918 HydrophobicContact CG2-CB 3.32Å; I894-P918 HydrophobicContact CG2-CG 3.64Å; P918-A920 PolarHBondContact O-N 3.13Å; P918-C957 VanDerWaalsContact CD-SG 3.58Å; P918-L960 HydrophobicContact CB-CD1 4.24Å; P918-L960 HydrophobicContact CG-CB 4.07Å; P918-L960 HydrophobicContact CG-CD1 4.08Å; P918-I961 HydrophobicContact CG-CG1 4.3Å
919	Y	91.5	Very high	91	Very high	46 Å²	46	33.1 Å²	33.1	18%	0.18	17%	0.171	C	C	.	.			trans	-63.3	125.2	169.5	-79.9	-69.7	0	0	0	109.6	M917 Y953 E954 C957 I990	M917-Y919 HydrophobicContact CB-CD2 3.7Å; M917-Y919 HydrophobicContact CB-CE2 3.76Å; M917-Y919 HydrophobicContact CE-CE2 3.72Å; M917-Y919 HydrophobicContact CG-CE2 4.41Å; M917-Y919 PolarHBondContact O-N 3.09Å; M917-Y919 HydrophobicContact SD-CE2 3.78Å; Y919-Y953 WeakPolarHBondContact CB-OH 3.14Å; Y919-Y953 AromaticContact CD1-CD1 3.97Å; Y919-Y953 HydrophobicContact CD1-CD1 3.97Å; Y919-Y953 AromaticContact CD1-CE1 3.38Å; Y919-Y953 HydrophobicContact CD1-CE1 3.38Å; Y919-Y953 HydrophobicContact CD1-CE2 4.15Å; Y919-Y953 AromaticContact CD1-CZ 3.51Å; Y919-Y953 HydrophobicContact CE1-CD1 4.08Å; Y919-Y953 AromaticContact CE1-CE1 3.82Å; Y919-Y953 HydrophobicContact CE1-CE1 3.82Å; Y919-Y953 HydrophobicContact CG-CE1 4.24Å; Y919-E954 HydrophobicContact CE1-CG 4.32Å; Y919-C957 HydrophobicContact CD1-CB 3.67Å; Y919-C957 HydrophobicContact CE1-CB 3.68Å; Y919-C957 HydrophobicContact CG-CB 4.18Å; Y919-I990 WeakPolarHBondContact OH-CD1 3.19Å
920	A	88.6	Confident	91.1	Very high	35 Å²	35	34.4 Å²	34.4	29%	0.289	18%	0.177	S	C	.	.			trans	-61	157.1	168.3	0	0	0	0	0	110.1	P918 P922 L927 Y953 M956	P918-A920 PolarHBondContact O-N 3.13Å; A920-P922 WeakPolarHBondContact O-CD 2.96Å; A920-L927 HydrophobicContact CB-CD2 3.81Å; A920-Y953 HydrophobicContact CB-CE2 4.49Å; A920-Y953 VanDerWaalsContact O-CE2 3.25Å; A920-Y953 WeakPolarHBondContact O-CE2 3.27Å; A920-Y953 PolarHBondContact O-OH 3.26Å; A920-M956 HydrophobicContact CB-CE 3.37Å
921	N	87.2	Confident	91.1	Very high	80 Å²	80	35.4 Å²	35.4	43%	0.428	18%	0.182	S	C	.	.			trans	-60.2	112	176.5	-178.5	3.2	0	0	0	109.6	Q923 S924	N921-Q923 PolarHBondContact O-N 2.68Å; N921-Q923 WeakPolarHBondContact OD1-CA 3.48Å; N921-Q923 VanDerWaalsContact OD1-CB 3.31Å; N921-Q923 WeakPolarHBondContact OD1-CB 3.31Å; N921-Q923 PolarHBondContact OD1-N 3.36Å; N921-S924 WeakPolarHBondContact O-CB 3.49Å; N921-S924 PolarHBondContact O-N 2.78Å
922	P	84.6	Confident	91	Very high	66 Å²	66	39.8 Å²	39.8	43%	0.429	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.9	179.6	30.7	-34.2	0	0	0	111.9	A920 S924 Y953	A920-P922 WeakPolarHBondContact O-CD 2.96Å; P922-S924 VanDerWaalsContact C-N 3.29Å; P922-Y953 HydrophobicContact CB-CE2 4.36Å; P922-Y953 WeakPolarHBondContact CD-OH 3.22Å
923	Q	83.6	Confident	90.9	Very high	138 Å²	138	40.2 Å²	40.2	65%	0.645	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.7	173	-57.7	179.6	-18.8	0	0	112.9	N921 P925 R928	N921-Q923 PolarHBondContact O-N 2.68Å; N921-Q923 WeakPolarHBondContact OD1-CA 3.48Å; N921-Q923 VanDerWaalsContact OD1-CB 3.31Å; N921-Q923 WeakPolarHBondContact OD1-CB 3.31Å; N921-Q923 PolarHBondContact OD1-N 3.36Å; Q923-P925 WeakPolarHBondContact O-CD 3.21Å; Q923-P925 VanDerWaalsContact O-N 3.16Å; Q923-R928 VanDerWaalsContact CA-NH2 3.27Å; Q923-R928 PolarHBondContact O-NH2 2.58Å
924	S	87.9	Confident	90.7	Very high	37 Å²	37	40.4 Å²	40.4	26%	0.259	21%	0.207	S	C	.	.			trans	-56.6	120.9	170.6	173.3	0	0	0	0	108.6	N921 P922 I926 L927 R928	N921-S924 WeakPolarHBondContact O-CB 3.49Å; N921-S924 PolarHBondContact O-N 2.78Å; P922-S924 VanDerWaalsContact C-N 3.29Å; S924-I926 PolarHBondContact O-N 2.94Å; S924-L927 PolarHBondContact O-N 3.35Å; S924-R928 WeakPolarHBondContact O-CB 3.42Å; S924-R928 PolarHBondContact O-N 2.87Å
925	P	87.5	Confident	90.5	Very high	23 Å²	23	42.9 Å²	42.9	15%	0.149	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-33.2	-171.3	22.3	-29.5	0	0	0	111.4	V543 I545 Q923 R928 E929	V543-P925 HydrophobicContact CB-CG 3.67Å; V543-P925 HydrophobicContact CG1-CG 3.72Å; V543-P925 HydrophobicContact CG2-CG 4.36Å; I545-P925 HydrophobicContact CD1-CB 3.68Å; I545-P925 HydrophobicContact CD1-CG 4.37Å; I545-P925 WeakPolarHBondContact CD1-O 3.4Å; I545-P925 HydrophobicContact CG1-CB 4.24Å; Q923-P925 WeakPolarHBondContact O-CD 3.21Å; Q923-P925 VanDerWaalsContact O-N 3.16Å; P925-R928 PolarHBondContact O-N 3.28Å; P925-E929 VanDerWaalsContact O-CB 3.3Å; P925-E929 WeakPolarHBondContact O-CB 3.34Å; P925-E929 PolarHBondContact O-N 2.76Å
926	I	89.4	Confident	90.3	Very high	47 Å²	47	49.1 Å²	49.1	24%	0.241	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-45.7	177.3	-53.1	175.9	0	0	0	110.7	I545 I676 S924 E929 K930	I545-I926 HydrophobicContact CD1-CG1 4.14Å; I676-I926 HydrophobicContact CD1-CD1 3.69Å; I676-I926 HydrophobicContact CD1-CG1 3.64Å; I676-I926 HydrophobicContact CD1-CG2 4.22Å; I676-I926 HydrophobicContact CG1-CG1 4.49Å; S924-I926 PolarHBondContact O-N 2.94Å; I926-E929 PolarHBondContact O-N 2.74Å; I926-K930 WeakPolarHBondContact O-CB 3.46Å; I926-K930 PolarHBondContact O-N 2.61Å
927	L	91	Very high	90	Very high	16 Å²	16	52.3 Å²	52.3	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-41.9	179.3	-180	60.4	0	0	0	111.1	A920 S924 K930 M931 Y952 Y953	A920-L927 HydrophobicContact CB-CD2 3.81Å; S924-L927 PolarHBondContact O-N 3.35Å; L927-K930 PolarHBondContact O-N 2.97Å; L927-M931 HydrophobicContact CD1-CG 4.36Å; L927-M931 HydrophobicContact CD1-SD 4.45Å; L927-M931 HydrophobicContact CG-SD 4.14Å; L927-M931 VanDerWaalsContact O-CG 3.28Å; L927-M931 WeakPolarHBondContact O-CG 3.31Å; L927-M931 PolarHBondContact O-N 2.94Å; L927-Y952 HydrophobicContact CD1-CD1 4.34Å; L927-Y952 HydrophobicContact CD1-CE1 3.83Å; L927-Y953 HydrophobicContact CD2-CD2 3.82Å; L927-Y953 HydrophobicContact CD2-CE2 3.79Å
928	R	92.1	Very high	89.7	Confident	116 Å²	116	53.3 Å²	53.3	44%	0.438	27%	0.266	S	S	.	.	H	α-helix	trans	-59.4	-47.8	175.9	-169.1	-170.3	-58.8	126.7	-2.3	111.1	Q923 S924 P925 K930 M931 I932	Q923-R928 VanDerWaalsContact CA-NH2 3.27Å; Q923-R928 PolarHBondContact O-NH2 2.58Å; S924-R928 WeakPolarHBondContact O-CB 3.42Å; S924-R928 PolarHBondContact O-N 2.87Å; P925-R928 PolarHBondContact O-N 3.28Å; R928-K930 VanDerWaalsContact C-N 3.32Å; R928-K930 PolarHBondContact O-N 2.97Å; R928-M931 PolarHBondContact O-N 3.26Å; R928-I932 HydrophobicContact CG-CD1 4.06Å; R928-I932 VanDerWaalsContact O-CG1 3.29Å; R928-I932 WeakPolarHBondContact O-CG1 2.98Å; R928-I932 PolarHBondContact O-N 2.61Å
929	E	91.6	Very high	88.9	Confident	51 Å²	51	59.6 Å²	59.6	24%	0.238	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-41.6	177.1	-172.2	65.6	-165.1	0	0	111.3	I545 R674 L716 P925 I926 I932 Y933	I545-E929 HydrophobicContact CD1-CB 4.28Å; I545-E929 HydrophobicContact CG2-CG 4.29Å; R674-E929 HydrophobicContact CG-CG 4.14Å; R674-E929 IonicContact CZ-OE1 2.89Å; R674-E929 IonicContact NE-OE1 3.34Å; R674-E929 PolarHBondContact NE-OE1 3.46Å; R674-E929 IonicContact NH2-OE1 3.6Å; R674-E929 PolarHBondContact NH2-OE1 3.44Å; L716-E929 HydrophobicContact CD1-CG 3.86Å; P925-E929 VanDerWaalsContact O-CB 3.3Å; P925-E929 WeakPolarHBondContact O-CB 3.34Å; P925-E929 PolarHBondContact O-N 2.76Å; I926-E929 PolarHBondContact O-N 2.74Å; E929-I932 PolarHBondContact O-N 3.35Å; E929-Y933 WeakPolarHBondContact O-CB 3.41Å; E929-Y933 PolarHBondContact O-N 3.31Å
930	K	92.2	Very high	88	Confident	29 Å²	29	60 Å²	60	13%	0.126	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-45.3	175	-172.5	169.7	-177.3	175.8	0	112.3	L716 I926 L927 R928 Y933 L934 Y952	L716-K930 HydrophobicContact CD2-CB 4.02Å; L716-K930 HydrophobicContact CD2-CG 4.49Å; I926-K930 WeakPolarHBondContact O-CB 3.46Å; I926-K930 PolarHBondContact O-N 2.61Å; L927-K930 PolarHBondContact O-N 2.97Å; R928-K930 VanDerWaalsContact C-N 3.32Å; R928-K930 PolarHBondContact O-N 2.97Å; K930-Y933 PolarHBondContact O-N 3.46Å; K930-L934 HydrophobicContact CG-CD1 4.31Å; K930-L934 VanDerWaalsContact O-CG 3.3Å; K930-L934 WeakPolarHBondContact O-CG 3.17Å; K930-L934 PolarHBondContact O-N 2.85Å; K930-Y952 HydrophobicContact CD-CE1 3.82Å; K930-Y952 HydrophobicContact CG-CE1 4.42Å; K930-Y952 VanDerWaalsContact NZ-CZ 3.35Å; K930-Y952 PolarHBondContact NZ-OH 3.08Å
931	M	92.3	Very high	86.7	Confident	31 Å²	31	65.1 Å²	65.1	15%	0.153	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-45.2	178.2	-69.8	172.4	68.3	0	0	111.5	L927 R928 Y933 L934 D935 Y953	L927-M931 HydrophobicContact CD1-CG 4.36Å; L927-M931 HydrophobicContact CD1-SD 4.45Å; L927-M931 HydrophobicContact CG-SD 4.14Å; L927-M931 VanDerWaalsContact O-CG 3.28Å; L927-M931 WeakPolarHBondContact O-CG 3.31Å; L927-M931 PolarHBondContact O-N 2.94Å; R928-M931 PolarHBondContact O-N 3.26Å; M931-Y933 VanDerWaalsContact C-N 3.32Å; M931-Y933 PolarHBondContact O-N 3.24Å; M931-L934 PolarHBondContact O-N 3.49Å; M931-D935 WeakPolarHBondContact O-CB 3.49Å; M931-D935 VanDerWaalsContact O-CG 3.31Å; M931-D935 PolarHBondContact O-N 2.98Å; M931-Y953 HydrophobicContact CE-CG 4.42Å; M931-Y953 HydrophobicContact SD-CD2 4.47Å; M931-Y953 HydrophobicContact SD-CG 4.39Å
932	I	92.5	Very high	85.1	Confident	92 Å²	92	67.3 Å²	67.3	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-43.6	175.9	-67.8	166	0	0	0	110.7	R928 E929 D935 K936	R928-I932 HydrophobicContact CG-CD1 4.06Å; R928-I932 VanDerWaalsContact O-CG1 3.29Å; R928-I932 WeakPolarHBondContact O-CG1 2.98Å; R928-I932 PolarHBondContact O-N 2.61Å; E929-I932 PolarHBondContact O-N 3.35Å; I932-D935 PolarHBondContact O-N 3.38Å; I932-K936 WeakPolarHBondContact O-CB 3.48Å; I932-K936 PolarHBondContact O-N 3.01Å
933	Y	92.7	Very high	83.6	Confident	11 Å²	11	72.8 Å²	72.8	4%	0.043	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-47.1	177.3	-178.7	-82.1	0	0	0	111.4	D672 L716 N717 E929 K930 M931 K936 H937	D672-Y933 HydrophobicContact CB-CE1 4.37Å; D672-Y933 HydrophobicContact CB-CE2 3.72Å; D672-Y933 WeakPolarHBondContact CB-OH 3.29Å; L716-Y933 HydrophobicContact CB-CD1 4.15Å; L716-Y933 HydrophobicContact CB-CD2 4.35Å; L716-Y933 HydrophobicContact CB-CG 4.01Å; L716-Y933 HydrophobicContact CD1-CD2 3.86Å; L716-Y933 HydrophobicContact CD1-CG 3.87Å; N717-Y933 HydrophobicContact CB-CE1 3.65Å; E929-Y933 WeakPolarHBondContact O-CB 3.41Å; E929-Y933 PolarHBondContact O-N 3.31Å; K930-Y933 PolarHBondContact O-N 3.46Å; M931-Y933 VanDerWaalsContact C-N 3.32Å; M931-Y933 PolarHBondContact O-N 3.24Å; Y933-K936 PolarHBondContact O-N 2.93Å; Y933-H937 AromaticContact CD1-ND1 3.86Å; Y933-H937 AromaticContact CD2-CE1 3.47Å; Y933-H937 VanDerWaalsContact CD2-CE1 3.47Å; Y933-H937 WeakPolarHBondContact CD2-CE1 3.41Å; Y933-H937 AromaticContact CD2-ND1 3.69Å; Y933-H937 HydrophobicContact CE1-CB 4.36Å; Y933-H937 AromaticContact CE1-CG 3.97Å; Y933-H937 AromaticContact CE1-ND1 3.7Å; Y933-H937 AromaticContact CE2-CE1 3.15Å; Y933-H937 WeakPolarHBondContact CE2-CE1 3.49Å; Y933-H937 AromaticContact CE2-ND1 3.55Å; Y933-H937 AromaticContact CE2-NE2 3.69Å; Y933-H937 AromaticContact CG-ND1 3.83Å; Y933-H937 AromaticContact CZ-CE1 3.52Å; Y933-H937 AromaticContact CZ-CG 3.84Å; Y933-H937 AromaticContact CZ-ND1 3.54Å; Y933-H937 AromaticContact CZ-NE2 3.81Å; Y933-H937 PolarHBondContact O-N 3.11Å; Y933-H937 VanDerWaalsContact O-N 3.14Å; Y933-H937 PolarHBondContact O-ND1 2.83Å
934	L	91.1	Very high	82.3	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-43.5	179	-68.5	174.5	0	0	0	111.9	K930 M931 K936 H937 F938 P948 Y952	K930-L934 HydrophobicContact CG-CD1 4.31Å; K930-L934 VanDerWaalsContact O-CG 3.3Å; K930-L934 WeakPolarHBondContact O-CG 3.17Å; K930-L934 PolarHBondContact O-N 2.85Å; M931-L934 PolarHBondContact O-N 3.49Å; L934-K936 VanDerWaalsContact C-N 3.28Å; L934-K936 PolarHBondContact O-N 3.41Å; L934-H937 PolarHBondContact O-N 3.37Å; L934-F938 HydrophobicContact CD2-CD2 3.77Å; L934-F938 HydrophobicContact CD2-CE2 3.7Å; L934-F938 PolarHBondContact O-N 3.46Å; L934-P948 HydrophobicContact CB-CB 4.3Å; L934-Y952 HydrophobicContact CD1-CD1 4.06Å; L934-Y952 HydrophobicContact CD1-CD2 4.21Å; L934-Y952 HydrophobicContact CD1-CG 3.71Å
935	D	91.7	Very high	80.9	Confident	54 Å²	54	73.6 Å²	73.6	29%	0.289	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-35.6	178.2	-73.1	-14.2	0	0	0	112.3	M931 I932 N947 P948 G949	M931-D935 WeakPolarHBondContact O-CB 3.49Å; M931-D935 VanDerWaalsContact O-CG 3.31Å; M931-D935 PolarHBondContact O-N 2.98Å; I932-D935 PolarHBondContact O-N 3.38Å; D935-N947 WeakPolarHBondContact OD1-CB 3.02Å; D935-P948 WeakPolarHBondContact OD1-CD 3.27Å; D935-G949 WeakPolarHBondContact OD1-CA 3.29Å; D935-G949 PolarHBondContact OD1-N 2.93Å
936	K	90.4	Very high	80.1	Confident	131 Å²	131	75.2 Å²	75.2	57%	0.57	38%	0.383	S	S	*	.	H	α-helix	trans	-73.2	-39.4	179	-175.4	-172.3	171.3	-158.6	0	112.9	E671 I932 Y933 L934	E671-K936 IonicContact OE1-NZ 2.59Å; E671-K936 PolarHBondContact OE1-NZ 2.82Å; I932-K936 WeakPolarHBondContact O-CB 3.48Å; I932-K936 PolarHBondContact O-N 3.01Å; Y933-K936 PolarHBondContact O-N 2.93Å; L934-K936 VanDerWaalsContact C-N 3.28Å; L934-K936 PolarHBondContact O-N 3.41Å
937	H	88.1	Confident	79.9	Confident	68 Å²	68	78 Å²	78	32%	0.315	40%	0.399	S	S	.	.	H	α-helix	trans	-96.9	-25.9	-168.9	-66.6	82.6	0	0	0	114.1	E671 Y933 L934	E671-H937 IonicContact OE1-NE2 2.63Å; E671-H937 IonicContact OE2-NE2 2.78Å; Y933-H937 AromaticContact CD1-ND1 3.86Å; Y933-H937 AromaticContact CD2-CE1 3.47Å; Y933-H937 VanDerWaalsContact CD2-CE1 3.47Å; Y933-H937 WeakPolarHBondContact CD2-CE1 3.41Å; Y933-H937 AromaticContact CD2-ND1 3.69Å; Y933-H937 HydrophobicContact CE1-CB 4.36Å; Y933-H937 AromaticContact CE1-CG 3.97Å; Y933-H937 AromaticContact CE1-ND1 3.7Å; Y933-H937 AromaticContact CE2-CE1 3.15Å; Y933-H937 WeakPolarHBondContact CE2-CE1 3.49Å; Y933-H937 AromaticContact CE2-ND1 3.55Å; Y933-H937 AromaticContact CE2-NE2 3.69Å; Y933-H937 AromaticContact CG-ND1 3.83Å; Y933-H937 AromaticContact CZ-CE1 3.52Å; Y933-H937 AromaticContact CZ-CG 3.84Å; Y933-H937 AromaticContact CZ-ND1 3.54Å; Y933-H937 AromaticContact CZ-NE2 3.81Å; Y933-H937 PolarHBondContact O-N 3.11Å; Y933-H937 VanDerWaalsContact O-N 3.14Å; Y933-H937 PolarHBondContact O-ND1 2.83Å; L934-H937 PolarHBondContact O-N 3.37Å
938	F	85.9	Confident	79.7	Confident	31 Å²	31	78 Å²	78	14%	0.136	40%	0.4	C	S	.	.			trans	-111.9	58.4	-177.4	-59.8	-75.9	0	0	0	110.6	E747 Q748 L934 R940 P948	E747-F938 HydrophobicContact CB-CD1 3.86Å; E747-F938 HydrophobicContact CB-CE1 3.84Å; E747-F938 HydrophobicContact CG-CD1 4.46Å; Q748-F938 HydrophobicContact CG-CE1 4.31Å; Q748-F938 HydrophobicContact CG-CE2 4.13Å; Q748-F938 HydrophobicContact CG-CZ 3.69Å; L934-F938 HydrophobicContact CD2-CD2 3.77Å; L934-F938 HydrophobicContact CD2-CE2 3.7Å; L934-F938 PolarHBondContact O-N 3.46Å; F938-R940 PolarHBondContact O-N 3.34Å; F938-R940 VanDerWaalsContact O-N 3.16Å; F938-P948 HydrophobicContact CB-CB 4.27Å; F938-P948 HydrophobicContact CB-CG 4.04Å; F938-P948 WeakPolarHBondContact O-CG 3.32Å
939	I	75.3	Confident	79.7	Confident	146 Å²	146	72.5 Å²	72.5	75%	0.749	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-65.5	117.9	176.7	-55.7	173.7	0	0	0	108
940	R	71.8	Confident	79.6	Confident	55 Å²	55	75.1 Å²	75.1	21%	0.208	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-99.4	152	174.3	-66.7	-173	-179.3	151	12.1	109.9	N743 E747 F938 S944	N743-R940 VanDerWaalsContact CB-NH2 3.27Å; E747-R940 IonicContact OE1-CZ 3.87Å; E747-R940 IonicContact OE1-NE 3.46Å; E747-R940 PolarHBondContact OE1-NE 3.3Å; E747-R940 IonicContact OE1-NH2 3.26Å; E747-R940 PolarHBondContact OE1-NH2 2.97Å; E747-R940 IonicContact OE2-CZ 3.76Å; E747-R940 IonicContact OE2-NE 3.92Å; E747-R940 IonicContact OE2-NH2 3.14Å; E747-R940 PolarHBondContact OE2-NH2 3.46Å; F938-R940 PolarHBondContact O-N 3.34Å; F938-R940 VanDerWaalsContact O-N 3.16Å; R940-S944 WeakPolarHBondContact CB-OG 3.1Å
941	D	61.6	Low	79.4	Confident	142 Å²	142	75.5 Å²	75.5	76%	0.759	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-53.2	144.6	174.4	-73.1	-32.9	0	0	0	110.7	Q943 S944	D941-Q943 PolarHBondContact O-N 3.39Å; D941-S944 PolarHBondContact O-N 2.9Å; D941-S944 PolarHBondContact O-OG 3.36Å
942	S	54.8	Low	79.3	Confident	125 Å²	125	75.8 Å²	75.8	87%	0.874	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-12.2	-175.1	51.5	0	0	0	0	115.5	S944	S942-S944 VanDerWaalsContact C-N 3.32Å
943	Q	52.3	Low	79.3	Confident	182 Å²	182	72.1 Å²	72.1	85%	0.85	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.4	173.5	-63.3	-171.6	-3.2	0	0	113.6	D941 T945	D941-Q943 PolarHBondContact O-N 3.39Å; Q943-T945 PolarHBondContact O-N 3.49Å
944	S	55.6	Low	79.3	Confident	49 Å²	49	72.2 Å²	72.2	34%	0.343	37%	0.369	S	S	.	.	S	Bend	trans	-80.4	115.2	174.1	66	0	0	0	0	110.2	R940 D941 S942 Q946	R940-S944 WeakPolarHBondContact CB-OG 3.1Å; D941-S944 PolarHBondContact O-N 2.9Å; D941-S944 PolarHBondContact O-OG 3.36Å; S942-S944 VanDerWaalsContact C-N 3.32Å; S944-Q946 PolarHBondContact O-N 2.97Å; S944-Q946 VanDerWaalsContact O-N 3.13Å
945	T	59.4	Low	79.2	Confident	143 Å²	143	72.5 Å²	72.5	88%	0.877	37%	0.372	S	S	*	.			trans	-72.2	-3.5	-171.3	47.7	0	0	0	0	114.8	Q943	Q943-T945 PolarHBondContact O-N 3.49Å
946	Q	70.3	Confident	79.2	Confident	56 Å²	56	72.4 Å²	72.4	26%	0.262	37%	0.37	S	S	.	.	S	Bend	trans	-135.8	131	-174.5	-69.4	-169.7	-29	0	0	112.5	S944 E954	S944-Q946 PolarHBondContact O-N 2.97Å; S944-Q946 VanDerWaalsContact O-N 3.13Å; Q946-E954 PolarHBondContact NE2-OE2 3.38Å; Q946-E954 VanDerWaalsContact NE2-OE2 3.15Å
947	N	85.2	Confident	79.3	Confident	106 Å²	106	66.1 Å²	66.1	57%	0.567	34%	0.343	S	S	*	.			trans	-59.6	141.3	170.8	-66.7	1.3	0	0	0	111.2	D935 G949 R950 Q951	D935-N947 WeakPolarHBondContact OD1-CB 3.02Å; N947-G949 VanDerWaalsContact C-N 3.34Å; N947-G949 PolarHBondContact O-N 3.41Å; N947-R950 HydrophobicContact CB-CB 4.44Å; N947-R950 PolarHBondContact O-N 2.91Å; N947-R950 VanDerWaalsContact O-N 3.08Å; N947-Q951 PolarHBondContact O-N 3.44Å
948	P	87.4	Confident	79.5	Confident	16 Å²	16	63 Å²	63	10%	0.104	33%	0.328	C	S	.	.	H	α-helix	trans	-54.9	-42.1	-177.8	-22.6	28	0	0	0	114.6	L934 D935 F938 R950 Q951 Y952	L934-P948 HydrophobicContact CB-CB 4.3Å; D935-P948 WeakPolarHBondContact OD1-CD 3.27Å; F938-P948 HydrophobicContact CB-CB 4.27Å; F938-P948 HydrophobicContact CB-CG 4.04Å; F938-P948 WeakPolarHBondContact O-CG 3.32Å; P948-R950 VanDerWaalsContact C-N 3.34Å; P948-R950 PolarHBondContact O-N 3.27Å; P948-Q951 PolarHBondContact O-N 3.37Å; P948-Y952 WeakPolarHBondContact O-CB 3.26Å; P948-Y952 PolarHBondContact O-N 3.27Å
949	G	90.8	Very high	79.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-38.6	178.1	0	0	0	0	0	112	D935 N947 Y952 Y953	D935-G949 WeakPolarHBondContact OD1-CA 3.29Å; D935-G949 PolarHBondContact OD1-N 2.93Å; N947-G949 VanDerWaalsContact C-N 3.34Å; N947-G949 PolarHBondContact O-N 3.41Å; G949-Y952 PolarHBondContact O-N 3.13Å; G949-Y953 PolarHBondContact O-N 2.79Å
950	R	89.6	Confident	80.5	Confident	107 Å²	107	58.5 Å²	58.5	40%	0.404	30%	0.304	S	S	.	.	H	α-helix	trans	-68.1	-42.1	174.3	-177.4	63.5	-171.5	-171.8	6	111.6	N947 P948 Y953 E954	N947-R950 HydrophobicContact CB-CB 4.44Å; N947-R950 PolarHBondContact O-N 2.91Å; N947-R950 VanDerWaalsContact O-N 3.08Å; P948-R950 VanDerWaalsContact C-N 3.34Å; P948-R950 PolarHBondContact O-N 3.27Å; R950-Y953 PolarHBondContact O-N 2.64Å; R950-E954 IonicContact CZ-OE1 3.26Å; R950-E954 VanDerWaalsContact CZ-OE1 3.26Å; R950-E954 IonicContact NE-OE1 2.86Å; R950-E954 PolarHBondContact NE-OE1 3.14Å; R950-E954 IonicContact NH2-OE1 2.73Å; R950-E954 PolarHBondContact NH2-OE1 3.12Å; R950-E954 PolarHBondContact O-N 3.44Å
951	Q	89.4	Confident	81.4	Confident	36 Å²	36	55.9 Å²	55.9	17%	0.168	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-44.2	175.6	-172.5	-171.8	29.2	0	0	111.2	P741 N947 P948 Y953 E954 T955	P741-Q951 HydrophobicContact CG-CG 4.49Å; N947-Q951 PolarHBondContact O-N 3.44Å; P948-Q951 PolarHBondContact O-N 3.37Å; Q951-Y953 VanDerWaalsContact C-N 3.34Å; Q951-Y953 PolarHBondContact O-N 3.06Å; Q951-E954 PolarHBondContact O-N 3.1Å; Q951-T955 WeakPolarHBondContact O-CB 3.11Å; Q951-T955 PolarHBondContact O-N 3.35Å; Q951-T955 PolarHBondContact O-OG1 3.16Å
952	Y	90.4	Very high	82.8	Confident	38 Å²	38	50 Å²	50	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-56.3	-48.4	175.1	172.5	-102.2	0	0	0	111.2	E744 L927 K930 L934 P948 G949 E954 T955 M956	E744-Y952 WeakPolarHBondContact OE1-CD2 3.43Å; E744-Y952 WeakPolarHBondContact OE1-CE2 3.01Å; L927-Y952 HydrophobicContact CD1-CD1 4.34Å; L927-Y952 HydrophobicContact CD1-CE1 3.83Å; K930-Y952 HydrophobicContact CD-CE1 3.82Å; K930-Y952 HydrophobicContact CG-CE1 4.42Å; K930-Y952 VanDerWaalsContact NZ-CZ 3.35Å; K930-Y952 PolarHBondContact NZ-OH 3.08Å; L934-Y952 HydrophobicContact CD1-CD1 4.06Å; L934-Y952 HydrophobicContact CD1-CD2 4.21Å; L934-Y952 HydrophobicContact CD1-CG 3.71Å; P948-Y952 WeakPolarHBondContact O-CB 3.26Å; P948-Y952 PolarHBondContact O-N 3.27Å; G949-Y952 PolarHBondContact O-N 3.13Å; Y952-E954 PolarHBondContact O-N 3.09Å; Y952-T955 PolarHBondContact O-N 2.95Å; Y952-M956 WeakPolarHBondContact O-CB 3.45Å; Y952-M956 PolarHBondContact O-N 3.49Å
953	Y	92.1	Very high	84.4	Confident	15 Å²	15	44.9 Å²	44.9	6%	0.059	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-44.5	179.2	-179.2	-116.6	0	0	0	113.3	Y919 A920 P922 L927 M931 G949 R950 Q951 C957	Y919-Y953 WeakPolarHBondContact CB-OH 3.14Å; Y919-Y953 AromaticContact CD1-CD1 3.97Å; Y919-Y953 HydrophobicContact CD1-CD1 3.97Å; Y919-Y953 AromaticContact CD1-CE1 3.38Å; Y919-Y953 HydrophobicContact CD1-CE1 3.38Å; Y919-Y953 HydrophobicContact CD1-CE2 4.15Å; Y919-Y953 AromaticContact CD1-CZ 3.51Å; Y919-Y953 HydrophobicContact CE1-CD1 4.08Å; Y919-Y953 AromaticContact CE1-CE1 3.82Å; Y919-Y953 HydrophobicContact CE1-CE1 3.82Å; Y919-Y953 HydrophobicContact CG-CE1 4.24Å; A920-Y953 HydrophobicContact CB-CE2 4.49Å; A920-Y953 VanDerWaalsContact O-CE2 3.25Å; A920-Y953 WeakPolarHBondContact O-CE2 3.27Å; A920-Y953 PolarHBondContact O-OH 3.26Å; P922-Y953 HydrophobicContact CB-CE2 4.36Å; P922-Y953 WeakPolarHBondContact CD-OH 3.22Å; L927-Y953 HydrophobicContact CD2-CD2 3.82Å; L927-Y953 HydrophobicContact CD2-CE2 3.79Å; M931-Y953 HydrophobicContact CE-CG 4.42Å; M931-Y953 HydrophobicContact SD-CD2 4.47Å; M931-Y953 HydrophobicContact SD-CG 4.39Å; G949-Y953 PolarHBondContact O-N 2.79Å; R950-Y953 PolarHBondContact O-N 2.64Å; Q951-Y953 VanDerWaalsContact C-N 3.34Å; Q951-Y953 PolarHBondContact O-N 3.06Å; Y953-C957 PolarHBondContact O-N 3.13Å
954	E	91.6	Very high	86.1	Confident	12 Å²	12	36.3 Å²	36.3	6%	0.056	19%	0.185	C	C	.	.	H	α-helix	trans	-69.9	-44.1	177.7	-69.6	-177.5	178.3	0	0	112	Y919 Q946 R950 Q951 Y952 M956 C957 M958 Q993	Y919-E954 HydrophobicContact CE1-CG 4.32Å; Q946-E954 PolarHBondContact NE2-OE2 3.38Å; Q946-E954 VanDerWaalsContact NE2-OE2 3.15Å; R950-E954 IonicContact CZ-OE1 3.26Å; R950-E954 VanDerWaalsContact CZ-OE1 3.26Å; R950-E954 IonicContact NE-OE1 2.86Å; R950-E954 PolarHBondContact NE-OE1 3.14Å; R950-E954 IonicContact NH2-OE1 2.73Å; R950-E954 PolarHBondContact NH2-OE1 3.12Å; R950-E954 PolarHBondContact O-N 3.44Å; Q951-E954 PolarHBondContact O-N 3.1Å; Y952-E954 PolarHBondContact O-N 3.09Å; E954-M956 VanDerWaalsContact C-N 3.32Å; E954-M956 PolarHBondContact O-N 3.2Å; E954-C957 WeakPolarHBondContact O-CB 3.37Å; E954-C957 PolarHBondContact O-N 3.13Å; E954-M958 WeakPolarHBondContact O-CG 3.24Å; E954-M958 PolarHBondContact O-N 3.44Å; E954-Q993 PolarHBondContact OE2-NE2 3.02Å; E954-Q993 VanDerWaalsContact OE2-NE2 3.16Å
955	T	90.4	Very high	87.7	Confident	11 Å²	11	34 Å²	34	7%	0.067	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-42.9	178.4	-59.3	0	0	0	0	111	Q951 Y952 C957 M958 R959	Q951-T955 WeakPolarHBondContact O-CB 3.11Å; Q951-T955 PolarHBondContact O-N 3.35Å; Q951-T955 PolarHBondContact O-OG1 3.16Å; Y952-T955 PolarHBondContact O-N 2.95Å; T955-C957 VanDerWaalsContact C-N 3.32Å; T955-C957 PolarHBondContact O-N 3.41Å; T955-M958 PolarHBondContact O-N 3.29Å; T955-R959 WeakPolarHBondContact O-CB 3.48Å; T955-R959 PolarHBondContact O-N 3.38Å
956	M	90.7	Very high	88.9	Confident	51 Å²	51	27.3 Å²	27.3	25%	0.251	13%	0.129	S	C	.	.	H	α-helix	trans	-59	-43.6	178.3	-170	-166.9	80.2	0	0	111.6	A920 Y952 E954	A920-M956 HydrophobicContact CB-CE 3.37Å; Y952-M956 WeakPolarHBondContact O-CB 3.45Å; Y952-M956 PolarHBondContact O-N 3.49Å; E954-M956 VanDerWaalsContact C-N 3.32Å; E954-M956 PolarHBondContact O-N 3.2Å
957	C	92.7	Very high	89.4	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.9	-47.8	175.6	178.8	0	0	0	0	111.9	P918 Y919 Y953 E954 T955 R959 L960 I961	P918-C957 VanDerWaalsContact CD-SG 3.58Å; Y919-C957 HydrophobicContact CD1-CB 3.67Å; Y919-C957 HydrophobicContact CE1-CB 3.68Å; Y919-C957 HydrophobicContact CG-CB 4.18Å; Y953-C957 PolarHBondContact O-N 3.13Å; E954-C957 WeakPolarHBondContact O-CB 3.37Å; E954-C957 PolarHBondContact O-N 3.13Å; T955-C957 VanDerWaalsContact C-N 3.32Å; T955-C957 PolarHBondContact O-N 3.41Å; C957-R959 VanDerWaalsContact C-N 3.33Å; C957-R959 PolarHBondContact O-N 3.22Å; C957-L960 PolarHBondContact O-N 3.02Å; C957-I961 PolarHBondContact O-N 3.31Å
958	M	93	Very high	89.4	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-69.7	-30.6	-176.5	-71.7	-53.8	-61.5	0	0	112.7	M917 E954 T955 L960 I961 N962 I990 Q993 L994	M917-M958 HydrophobicContact CE-SD 3.58Å; M917-M958 VanDerWaalsContact CE-SD 3.58Å; E954-M958 WeakPolarHBondContact O-CG 3.24Å; E954-M958 PolarHBondContact O-N 3.44Å; T955-M958 PolarHBondContact O-N 3.29Å; M958-L960 PolarHBondContact O-N 3.42Å; M958-I961 HydrophobicContact CE-CD1 4.48Å; M958-I961 HydrophobicContact CE-CG2 4.46Å; M958-I961 PolarHBondContact O-N 3.48Å; M958-I961 HydrophobicContact SD-CD1 3.68Å; M958-N962 VanDerWaalsContact O-CB 3.32Å; M958-N962 WeakPolarHBondContact O-CB 3.34Å; M958-N962 PolarHBondContact O-N 3.19Å; M958-N962 PolarHBondContact O-ND2 3.29Å; M958-N962 PolarHBondContact O-OD1 2.95Å; M958-I990 HydrophobicContact CE-CG2 4.05Å; M958-I990 HydrophobicContact SD-CG2 3.77Å; M958-Q993 HydrophobicContact CB-CB 4.09Å; M958-Q993 HydrophobicContact CE-CB 4.22Å; M958-Q993 HydrophobicContact CG-CB 3.8Å; M958-Q993 HydrophobicContact CG-CG 4.49Å; M958-L994 HydrophobicContact CE-CD2 3.62Å; M958-L994 HydrophobicContact CE-CG 4.09Å
959	R	90.4	Very high	89.3	Confident	40 Å²	40	20.3 Å²	20.3	15%	0.151	9%	0.09	C	C	.	.	H	α-helix	trans	-59.1	-46.7	174.3	-170.8	177.9	-69	168.1	7.6	111.2	H465 T738 E744 T955 C957 I961 N962 Q963	H465-R959 PolarHBondContact O-NH1 3.2Å; T738-R959 WeakPolarHBondContact OG1-CG 3.38Å; E744-R959 IonicContact OE2-CZ 3.86Å; E744-R959 IonicContact OE2-NH1 3Å; E744-R959 IonicContact OE2-NH2 3.67Å; E744-R959 PolarHBondContact OE2-NH2 2.88Å; T955-R959 WeakPolarHBondContact O-CB 3.48Å; T955-R959 PolarHBondContact O-N 3.38Å; C957-R959 VanDerWaalsContact C-N 3.33Å; C957-R959 PolarHBondContact O-N 3.22Å; R959-I961 PolarHBondContact O-N 2.91Å; R959-N962 PolarHBondContact O-N 2.97Å; R959-Q963 WeakPolarHBondContact O-CB 3.17Å; R959-Q963 VanDerWaalsContact O-CG 3.28Å; R959-Q963 WeakPolarHBondContact O-CG 3.14Å; R959-Q963 PolarHBondContact O-N 3.4Å
960	L	90	Very high	88.9	Confident	42 Å²	42	22 Å²	22	22%	0.22	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-42.9	176.2	-69	178	0	0	0	112.3	I894 P918 C957 M958 A964	I894-L960 HydrophobicContact CD1-CB 4.33Å; I894-L960 HydrophobicContact CG1-CB 4.17Å; P918-L960 HydrophobicContact CB-CD1 4.24Å; P918-L960 HydrophobicContact CG-CB 4.07Å; P918-L960 HydrophobicContact CG-CD1 4.08Å; C957-L960 PolarHBondContact O-N 3.02Å; M958-L960 PolarHBondContact O-N 3.42Å; L960-A964 WeakPolarHBondContact O-CB 3.37Å; L960-A964 PolarHBondContact O-N 3.17Å
961	I	92.2	Very high	88.6	Confident	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.4	-49.2	176.3	-68.4	163.3	0	0	0	110.8	I894 I914 M917 P918 C957 M958 R959 Q963 A964 I965 Y985	I894-I961 HydrophobicContact CD1-CG1 4.17Å; I914-I961 HydrophobicContact CD1-CG2 3.98Å; M917-I961 HydrophobicContact CB-CD1 4.45Å; M917-I961 HydrophobicContact CE-CD1 3.94Å; M917-I961 HydrophobicContact CG-CD1 4.3Å; P918-I961 HydrophobicContact CG-CG1 4.3Å; C957-I961 PolarHBondContact O-N 3.31Å; M958-I961 HydrophobicContact CE-CD1 4.48Å; M958-I961 HydrophobicContact CE-CG2 4.46Å; M958-I961 PolarHBondContact O-N 3.48Å; M958-I961 HydrophobicContact SD-CD1 3.68Å; R959-I961 PolarHBondContact O-N 2.91Å; I961-Q963 VanDerWaalsContact C-N 3.3Å; I961-Q963 PolarHBondContact O-N 3.4Å; I961-A964 WeakPolarHBondContact O-CB 3.31Å; I961-A964 PolarHBondContact O-N 2.93Å; I961-A964 VanDerWaalsContact O-N 3.16Å; I961-I965 HydrophobicContact CG2-CD1 3.88Å; I961-I965 HydrophobicContact CG2-CG1 4.48Å; I961-I965 WeakPolarHBondContact O-CG1 3.41Å; I961-I965 PolarHBondContact O-N 3.42Å; I961-Y985 HydrophobicContact CD1-CE1 4.03Å; I961-Y985 WeakPolarHBondContact CD1-OH 3.5Å; I961-Y985 HydrophobicContact CG2-CE1 4.44Å
962	N	90.3	Very high	88.3	Confident	19 Å²	19	19.6 Å²	19.6	10%	0.102	9%	0.094	C	C	.	.	H	α-helix	trans	-64.3	-36.8	-177.6	-68.1	-17	0	0	0	111.7	T738 M958 R959 G966 Q993 L994 P995	T738-N962 HydrophobicContact CG2-CB 3.78Å; M958-N962 VanDerWaalsContact O-CB 3.32Å; M958-N962 WeakPolarHBondContact O-CB 3.34Å; M958-N962 PolarHBondContact O-N 3.19Å; M958-N962 PolarHBondContact O-ND2 3.29Å; M958-N962 PolarHBondContact O-OD1 2.95Å; R959-N962 PolarHBondContact O-N 2.97Å; N962-G966 PolarHBondContact O-N 2.84Å; N962-Q993 PolarHBondContact ND2-O 2.99Å; N962-L994 WeakPolarHBondContact OD1-CD2 3.43Å; N962-P995 HydrophobicContact CB-CG 4.2Å; N962-P995 VanDerWaalsContact CG-CD 3.48Å; N962-P995 WeakPolarHBondContact OD1-CD 3.46Å
963	Q	88	Confident	88	Confident	18 Å²	18	25.2 Å²	25.2	8%	0.084	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-47.4	172.2	-73.8	178	18.6	0	0	111.6	H465 T738 R959 I961 I965 G966 R967	H465-Q963 PolarHBondContact CD2-NE2 2.82Å; H465-Q963 PolarHBondContact CE1-NE2 2.86Å; H465-Q963 VanDerWaalsContact CE1-NE2 3.28Å; H465-Q963 PolarHBondContact NE2-NE2 3.05Å; T738-Q963 HydrophobicContact CG2-CG 4.15Å; R959-Q963 WeakPolarHBondContact O-CB 3.17Å; R959-Q963 VanDerWaalsContact O-CG 3.28Å; R959-Q963 WeakPolarHBondContact O-CG 3.14Å; R959-Q963 PolarHBondContact O-N 3.4Å; I961-Q963 VanDerWaalsContact C-N 3.3Å; I961-Q963 PolarHBondContact O-N 3.4Å; Q963-I965 VanDerWaalsContact C-N 3.31Å; Q963-I965 PolarHBondContact O-N 2.77Å; Q963-G966 PolarHBondContact O-N 3.27Å; Q963-G966 VanDerWaalsContact O-N 3.11Å; Q963-R967 WeakPolarHBondContact O-CG 3.36Å; Q963-R967 PolarHBondContact O-N 3.35Å; Q963-R967 VanDerWaalsContact O-N 3.13Å
964	A	88.9	Confident	87.8	Confident	2 Å²	2	24.5 Å²	24.5	2%	0.017	12%	0.116	C	C	.	.	H	α-helix	trans	-57.8	-42.9	177.9	0	0	0	0	0	112.1	F828 I894 I914 L960 I961 R967	F828-A964 HydrophobicContact CD2-CB 3.87Å; F828-A964 HydrophobicContact CE2-CB 3.79Å; F828-A964 HydrophobicContact CG-CB 4.26Å; F828-A964 HydrophobicContact CZ-CB 4.14Å; I894-A964 HydrophobicContact CD1-CB 3.94Å; I894-A964 HydrophobicContact CG1-CB 4.19Å; I914-A964 HydrophobicContact CD1-CB 4.06Å; L960-A964 WeakPolarHBondContact O-CB 3.37Å; L960-A964 PolarHBondContact O-N 3.17Å; I961-A964 WeakPolarHBondContact O-CB 3.31Å; I961-A964 PolarHBondContact O-N 2.93Å; I961-A964 VanDerWaalsContact O-N 3.16Å; A964-R967 PolarHBondContact O-N 3.34Å
965	I	89	Confident	87.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-46	174	-65.4	171.6	0	0	0	111	I914 I961 Q963 R967 S968 V978 L980 L994 W997 V998	I914-I965 HydrophobicContact CD1-CG1 3.92Å; I961-I965 HydrophobicContact CG2-CD1 3.88Å; I961-I965 HydrophobicContact CG2-CG1 4.48Å; I961-I965 WeakPolarHBondContact O-CG1 3.41Å; I961-I965 PolarHBondContact O-N 3.42Å; Q963-I965 VanDerWaalsContact C-N 3.31Å; Q963-I965 PolarHBondContact O-N 2.77Å; I965-R967 PolarHBondContact O-N 3Å; I965-R967 VanDerWaalsContact O-N 3.13Å; I965-S968 PolarHBondContact O-N 2.87Å; I965-S968 PolarHBondContact O-OG 3.48Å; I965-V978 HydrophobicContact CG1-CG1 4.08Å; I965-V978 HydrophobicContact CG2-CG2 4.29Å; I965-L980 HydrophobicContact CD1-CD2 4.35Å; I965-L994 HydrophobicContact CD1-CD2 4.19Å; I965-W997 HydrophobicContact CG2-CH2 4.24Å; I965-V998 HydrophobicContact CD1-CG1 4.21Å; I965-V998 HydrophobicContact CG2-CG1 4.38Å; I965-V998 HydrophobicContact CG2-CG2 4Å
966	G	84.9	Confident	88	Confident	3 Å²	3	24.3 Å²	24.3	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-63.6	-16.3	179.2	0	0	0	0	0	114.2	T94 N962 Q963	T94-G966 WeakPolarHBondContact CB-O 3.33Å; T94-G966 WeakPolarHBondContact OG1-CA 3.43Å; T94-G966 PolarHBondContact OG1-O 3.09Å; N962-G966 PolarHBondContact O-N 2.84Å; Q963-G966 PolarHBondContact O-N 3.27Å; Q963-G966 VanDerWaalsContact O-N 3.11Å
967	R	81.4	Confident	88.2	Confident	30 Å²	30	21.9 Å²	21.9	11%	0.113	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-22.7	179.3	-65.1	-59.9	158.2	-173	-7	113.9	F904 Q963 A964 I965 R970	F904-R967 HydrophobicContact CD2-CB 4.48Å; Q963-R967 WeakPolarHBondContact O-CG 3.36Å; Q963-R967 PolarHBondContact O-N 3.35Å; Q963-R967 VanDerWaalsContact O-N 3.13Å; A964-R967 PolarHBondContact O-N 3.34Å; I965-R967 PolarHBondContact O-N 3Å; I965-R967 VanDerWaalsContact O-N 3.13Å; R967-R970 PolarHBondContact O-NH2 3.46Å
968	S	84.5	Confident	88.3	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.007	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-6	-176	58.7	0	0	0	0	115.3	I965	I965-S968 PolarHBondContact O-N 2.87Å; I965-S968 PolarHBondContact O-OG 3.48Å
969	I	85.6	Confident	88.5	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.102	C	C	.	.			trans	-128.2	121	-179.2	-65.5	164.6	0	0	0	108.7	H767 I769 L775 D974 A976 W997	H767-I969 VanDerWaalsContact CE1-CG2 3.48Å; H767-I969 WeakPolarHBondContact CE1-CG2 3.38Å; I769-I969 HydrophobicContact CD1-CD1 3.74Å; I769-I969 HydrophobicContact CD1-CG2 4.12Å; I769-I969 HydrophobicContact CG1-CG2 4.32Å; I769-I969 HydrophobicContact CG2-CG2 3.67Å; L775-I969 HydrophobicContact CB-CD1 3.89Å; L775-I969 HydrophobicContact CD1-CD1 3.82Å; L775-I969 HydrophobicContact CD2-CD1 4.37Å; L775-I969 HydrophobicContact CG-CD1 4.21Å; I969-D974 WeakPolarHBondContact CA-OD2 3.37Å; I969-D974 HydrophobicContact CG2-CB 4.27Å; I969-A976 HydrophobicContact CD1-CB 4.44Å; I969-A976 HydrophobicContact CG1-CB 4.04Å; I969-W997 HydrophobicContact CD1-CH2 4.02Å; I969-W997 HydrophobicContact CD1-CZ3 3.7Å
970	R	81.8	Confident	88.7	Confident	34 Å²	34	20 Å²	20	13%	0.128	10%	0.095	C	C	.	.			trans	-124.8	-24.8	-169.4	-75.4	-79.9	178.8	60.4	32.2	116.5	G95 N903 F904 T905 R967 D974	G95-R970 WeakPolarHBondContact CA-O 3.43Å; N903-R970 VanDerWaalsContact CG-CZ 3.41Å; N903-R970 PolarHBondContact O-NH1 3.17Å; N903-R970 PolarHBondContact OD1-NH1 2.87Å; N903-R970 VanDerWaalsContact OD1-NH1 3.08Å; F904-R970 PolarHBondContact O-NH2 3.1Å; T905-R970 HydrophobicContact CG2-CB 3.83Å; T905-R970 HydrophobicContact CG2-CG 3.71Å; R967-R970 PolarHBondContact O-NH2 3.46Å; R970-D974 PolarHBondContact N-OD2 3.41Å
971	H	83.6	Confident	88.9	Confident	67 Å²	67	18 Å²	18	31%	0.31	8%	0.084	S	C	.	.	S	Bend	trans	-141.9	166.8	179.1	49.8	67.6	0	0	0	111	D906 K973 D974	D906-H971 IonicContact OD1-CE1 2.96Å; D906-H971 PolarHBondContact OD1-CE1 3.49Å; D906-H971 IonicContact OD1-NE2 3.6Å; D906-H971 PolarHBondContact OD1-NE2 3.06Å; D906-H971 IonicContact OD2-NE2 3.73Å; D906-H971 PolarHBondContact OD2-NE2 3.2Å; H971-K973 PolarHBondContact O-N 2.96Å; H971-D974 PolarHBondContact CE1-N 3.32Å; H971-D974 WeakPolarHBondContact ND1-CB 3.48Å; H971-D974 PolarHBondContact ND1-N 3.37Å; H971-D974 VanDerWaalsContact O-CB 3.29Å; H971-D974 WeakPolarHBondContact O-CB 3.29Å; H971-D974 PolarHBondContact O-N 3.18Å
972	A	83.1	Confident	89	Confident	26 Å²	26	18 Å²	18	22%	0.215	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.7	-175.1	0	0	0	0	0	114.4	Y68 V768 Q774	Y68-A972 HydrophobicContact CE1-CB 4.16Å; Y68-A972 WeakPolarHBondContact OH-CB 3.46Å; V768-A972 HydrophobicContact CG1-CB 3.69Å; Q774-A972 PolarHBondContact NE2-O 3.41Å
973	K	84.5	Confident	89	Confident	157 Å²	157	18.8 Å²	18.8	68%	0.683	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	1.1	177.9	-61.7	-173.2	178.5	-174.1	0	114.6	H971 L1045	H971-K973 PolarHBondContact O-N 2.96Å; K973-L1045 HydrophobicContact CB-CD2 4.35Å
974	D	88.3	Confident	89.2	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.			trans	-77.9	158.9	-176.8	-153.2	-4.4	0	0	0	110.7	Q774 R910 I969 R970 H971	Q774-D974 WeakPolarHBondContact CB-O 3.18Å; Q774-D974 PolarHBondContact NE2-O 3.41Å; R910-D974 IonicContact CZ-OD1 3.1Å; R910-D974 IonicContact NH1-OD1 2.76Å; R910-D974 PolarHBondContact NH1-OD1 2.87Å; I969-D974 WeakPolarHBondContact CA-OD2 3.37Å; I969-D974 HydrophobicContact CG2-CB 4.27Å; R970-D974 PolarHBondContact N-OD2 3.41Å; H971-D974 PolarHBondContact CE1-N 3.32Å; H971-D974 WeakPolarHBondContact ND1-CB 3.48Å; H971-D974 PolarHBondContact ND1-N 3.37Å; H971-D974 VanDerWaalsContact O-CB 3.29Å; H971-D974 WeakPolarHBondContact O-CB 3.29Å; H971-D974 PolarHBondContact O-N 3.18Å
975	Y	92.2	Very high	89.3	Confident	19 Å²	19	19.1 Å²	19.1	8%	0.075	9%	0.089	C	C	.	.			trans	-155.1	144.7	178.8	67.6	-72.5	0	0	0	111.8	Q774 R910 F1037 F1038 N1041 L1045	Q774-Y975 CarbonylContact O-C 3.6Å; Q774-Y975 WeakPolarHBondContact O-CA 3.33Å; Q774-Y975 VanDerWaalsContact O-CB 3.25Å; Q774-Y975 WeakPolarHBondContact O-CB 3.49Å; R910-Y975 VanDerWaalsContact NH1-CD1 3.33Å; R910-Y975 VanDerWaalsContact NH1-CE1 3.33Å; R910-Y975 PolarHBondContact NH1-O 3.08Å; Y975-F1037 AromaticContact CD2-CE1 3.92Å; Y975-F1037 HydrophobicContact CD2-CE1 3.92Å; Y975-F1037 HydrophobicContact CD2-CZ 4.15Å; Y975-F1038 HydrophobicContact CD2-CD1 4.31Å; Y975-F1038 HydrophobicContact CD2-CE1 4.31Å; Y975-F1038 AromaticContact CE2-CD1 3.66Å; Y975-F1038 HydrophobicContact CE2-CD1 3.66Å; Y975-F1038 AromaticContact CE2-CE1 3.97Å; Y975-F1038 HydrophobicContact CE2-CE1 3.97Å; Y975-N1041 HydrophobicContact CD1-CB 4.22Å; Y975-N1041 HydrophobicContact CD2-CB 3.39Å; Y975-N1041 HydrophobicContact CE1-CB 4.4Å; Y975-N1041 HydrophobicContact CE2-CB 3.51Å; Y975-N1041 HydrophobicContact CG-CB 3.75Å; Y975-L1045 HydrophobicContact CD1-CD1 3.75Å; Y975-L1045 HydrophobicContact CE1-CD1 3.14Å
976	A	93	Very high	89.3	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.3	-177.1	0	0	0	0	0	112.4	Q774 L775 A776 R910 I969 F1037	Q774-A976 PolarHBondContact O-N 3.16Å; L775-A976 WeakPolarHBondContact CA-O 3.27Å; A776-A976 PolarHBondContact N-O 3.42Å; R910-A976 CarbonylContact O-C 3.32Å; R910-A976 WeakPolarHBondContact O-CA 3.46Å; I969-A976 HydrophobicContact CD1-CB 4.44Å; I969-A976 HydrophobicContact CG1-CB 4.04Å; A976-F1037 WeakPolarHBondContact O-CZ 3.45Å
977	A	95.1	Very high	89.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.2	168.5	0	0	0	0	0	109.9	A776 Y778 R910 V911 V912 F979 F1037 F1038	A776-A977 CarbonylContact O-C 3.6Å; A776-A977 WeakPolarHBondContact O-CA 3.41Å; Y778-A977 HydrophobicContact CE2-CB 4.09Å; R910-A977 PolarHBondContact O-N 2.86Å; V911-A977 CarbonylContact C-O 3.58Å; V911-A977 VanDerWaalsContact CA-O 3.29Å; V911-A977 WeakPolarHBondContact CA-O 3.39Å; V912-A977 PolarHBondContact N-O 3.32Å; A977-F979 HydrophobicContact CB-CE2 4.24Å; A977-F1037 HydrophobicContact CB-CE1 4.34Å; A977-F1038 HydrophobicContact CB-CE2 3.73Å; A977-F1038 HydrophobicContact CB-CZ 3.67Å
978	V	95.2	Very high	89.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.2	179.3	-179.7	0	0	0	0	109.3	L775 A776 V777 Y778 V912 I965 L980	L775-V978 HydrophobicContact CD1-CG2 3.74Å; A776-V978 PolarHBondContact O-N 2.98Å; V777-V978 CarbonylContact C-O 3.59Å; V777-V978 WeakPolarHBondContact CA-O 3.46Å; V777-V978 HydrophobicContact CG1-CB 4.4Å; V777-V978 HydrophobicContact CG1-CG1 4.48Å; V777-V978 HydrophobicContact CG2-CB 4.25Å; Y778-V978 PolarHBondContact N-O 3.31Å; V912-V978 HydrophobicContact CB-CG2 4.3Å; V912-V978 CarbonylContact O-C 3.59Å; V912-V978 VanDerWaalsContact O-CA 3.27Å; V912-V978 WeakPolarHBondContact O-CA 3.21Å; I965-V978 HydrophobicContact CG1-CG1 4.08Å; I965-V978 HydrophobicContact CG2-CG2 4.29Å; V978-L980 HydrophobicContact CG1-CD2 3.77Å; V978-L980 HydrophobicContact CG1-CG 4.19Å
979	F	96	Very high	89.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.4	173	-65.9	-90.3	0	0	0	109.5	Y778 L780 I817 L821 V911 V912 I913 I914 A977 A1030 L1031 A1034	Y778-F979 AromaticContact CD2-CD1 3.98Å; Y778-F979 HydrophobicContact CD2-CD1 3.98Å; Y778-F979 AromaticContact CD2-CE1 3.62Å; Y778-F979 HydrophobicContact CD2-CE1 3.62Å; Y778-F979 HydrophobicContact CD2-CE2 4.22Å; Y778-F979 HydrophobicContact CD2-CG 4.45Å; Y778-F979 AromaticContact CD2-CZ 3.75Å; Y778-F979 HydrophobicContact CD2-CZ 3.75Å; Y778-F979 HydrophobicContact CE2-CE1 4.36Å; Y778-F979 HydrophobicContact CE2-CZ 4.11Å; Y778-F979 HydrophobicContact CG-CD1 4.12Å; Y778-F979 AromaticContact CG-CE1 3.86Å; Y778-F979 HydrophobicContact CG-CE1 3.86Å; Y778-F979 HydrophobicContact CG-CZ 4.42Å; Y778-F979 WeakPolarHBondContact O-CA 3.43Å; L780-F979 HydrophobicContact CD1-CB 4.35Å; L780-F979 HydrophobicContact CD1-CD1 3.74Å; L780-F979 HydrophobicContact CD1-CG 4.47Å; L780-F979 HydrophobicContact CG-CD1 4.22Å; I817-F979 HydrophobicContact CD1-CB 4.45Å; I817-F979 HydrophobicContact CD1-CD1 4.18Å; I817-F979 HydrophobicContact CD1-CD2 4.15Å; I817-F979 HydrophobicContact CD1-CE1 4.48Å; I817-F979 HydrophobicContact CD1-CE2 4.48Å; I817-F979 HydrophobicContact CD1-CG 3.99Å; I817-F979 HydrophobicContact CG2-CE2 4.48Å; L821-F979 HydrophobicContact CD1-CE2 3.6Å; L821-F979 HydrophobicContact CD1-CZ 3.82Å; V911-F979 HydrophobicContact CG1-CD2 3.66Å; V911-F979 HydrophobicContact CG1-CE2 3.73Å; V912-F979 PolarHBondContact O-N 2.91Å; I913-F979 CarbonylContact C-O 3.59Å; I913-F979 WeakPolarHBondContact CA-O 3.45Å; I913-F979 HydrophobicContact CG1-CB 4.32Å; I913-F979 HydrophobicContact CG1-CD2 4.44Å; I913-F979 HydrophobicContact CG2-CB 4.39Å; I914-F979 PolarHBondContact N-O 2.94Å; A977-F979 HydrophobicContact CB-CE2 4.24Å; F979-A1030 HydrophobicContact CE1-CB 4.26Å; F979-L1031 HydrophobicContact CZ-CD2 4.47Å; F979-A1034 HydrophobicContact CZ-CB 4.02Å
980	L	95.5	Very high	90	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	97.7	178.9	-59.3	179.3	0	0	0	108.6	V777 Y778 L780 I914 I965 V978 D982 Y985	V777-L980 HydrophobicContact CG1-CD1 3.6Å; V777-L980 HydrophobicContact CG1-CG 3.96Å; Y778-L980 PolarHBondContact O-N 2.65Å; L780-L980 PolarHBondContact N-O 2.89Å; I914-L980 HydrophobicContact CB-CD2 4.04Å; I914-L980 HydrophobicContact CD1-CD2 3.82Å; I914-L980 HydrophobicContact CG1-CD2 4.16Å; I965-L980 HydrophobicContact CD1-CD2 4.35Å; V978-L980 HydrophobicContact CG1-CD2 3.77Å; V978-L980 HydrophobicContact CG1-CG 4.19Å; L980-D982 PolarHBondContact O-N 3.03Å; L980-Y985 HydrophobicContact CB-CD1 4.09Å; L980-Y985 HydrophobicContact CB-CD2 3.56Å; L980-Y985 HydrophobicContact CB-CE1 4.21Å; L980-Y985 HydrophobicContact CB-CE2 3.71Å; L980-Y985 HydrophobicContact CB-CG 3.76Å; L980-Y985 HydrophobicContact CD1-CD1 3.82Å; L980-Y985 HydrophobicContact CD1-CE1 4.03Å; L980-Y985 HydrophobicContact CD1-CG 4.2Å; L980-Y985 HydrophobicContact CD2-CE1 4.22Å; L980-Y985 HydrophobicContact CG-CD1 4.44Å; L980-Y985 HydrophobicContact CG-CE1 4.39Å
981	M	94.1	Very high	90.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	86.7	-173.6	-66.1	-179.7	65.5	0	0	110.9	L780 L794 F796 C810 V813 I913 I914 I915 G916	L780-M981 HydrophobicContact CB-CG 4.39Å; L780-M981 HydrophobicContact CD1-CG 4.18Å; L794-M981 HydrophobicContact CD1-CE 4.29Å; F796-M981 WeakPolarHBondContact CD2-O 3.3Å; F796-M981 HydrophobicContact CE2-CB 4.08Å; F796-M981 WeakPolarHBondContact CE2-O 3.49Å; F796-M981 HydrophobicContact CZ-CE 4.39Å; C810-M981 HydrophobicContact CB-CE 4.22Å; V813-M981 HydrophobicContact CB-CE 3.68Å; V813-M981 HydrophobicContact CB-SD 4.49Å; V813-M981 HydrophobicContact CG1-CE 3.68Å; V813-M981 HydrophobicContact CG1-SD 3.94Å; V813-M981 HydrophobicContact CG2-CE 4.07Å; I913-M981 HydrophobicContact CG2-CG 4.06Å; I913-M981 HydrophobicContact CG2-SD 3.44Å; I913-M981 WeakPolarHBondContact CG2-SD 3.45Å; I914-M981 PolarHBondContact O-N 3.29Å; I915-M981 HydrophobicContact CG1-SD 4.33Å; G916-M981 PolarHBondContact N-O 2.98Å
982	D	93.8	Very high	90.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-173.5	143.1	169	-158.8	-74.3	0	0	0	109.4	L780 L794 F796 G916 L980 R984 Y985	L780-D982 PolarHBondContact O-N 3.35Å; L794-D982 CarbonylContact O-C 3.52Å; L794-D982 WeakPolarHBondContact O-CA 2.88Å; F796-D982 HydrophobicContact CD2-CB 4.45Å; F796-D982 PolarHBondContact N-OD2 2.92Å; G916-D982 WeakPolarHBondContact CA-OD2 3.5Å; L980-D982 PolarHBondContact O-N 3.03Å; D982-R984 PolarHBondContact O-N 3.43Å; D982-R984 WeakPolarHBondContact OD1-CB 3.34Å; D982-R984 WeakPolarHBondContact OD1-CG 3.49Å; D982-R984 IonicContact OD1-CZ 2.7Å; D982-R984 PolarHBondContact OD1-N 3.47Å; D982-R984 IonicContact OD1-NE 2.76Å; D982-R984 PolarHBondContact OD1-NE 2.92Å; D982-R984 IonicContact OD1-NH2 3.41Å; D982-R984 IonicContact OD2-CZ 3.39Å; D982-R984 IonicContact OD2-NE 3.44Å; D982-R984 PolarHBondContact OD2-NE 3.48Å; D982-R984 IonicContact OD2-NH2 3.36Å; D982-R984 PolarHBondContact OD2-NH2 2.96Å; D982-Y985 HydrophobicContact CB-CD2 3.48Å; D982-Y985 VanDerWaalsContact CB-CD2 3.48Å; D982-Y985 HydrophobicContact CB-CE2 3.6Å; D982-Y985 WeakPolarHBondContact O-CD2 3.44Å; D982-Y985 PolarHBondContact O-N 3.12Å
983	N	90.5	Very high	90.9	Very high	36 Å²	36	33.1 Å²	33.1	19%	0.193	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-63.6	-25.8	175.1	74	24	0	0	0	112.9	S793 L794 Y985 Y986 F1024	S793-N983 VanDerWaalsContact OG-CB 3.28Å; S793-N983 WeakPolarHBondContact OG-CB 3.43Å; S793-N983 PolarHBondContact OG-ND2 3.19Å; L794-N983 PolarHBondContact O-N 3.39Å; N983-Y985 PolarHBondContact O-N 3.11Å; N983-Y986 PolarHBondContact O-N 3.25Å; N983-F1024 HydrophobicContact CB-CE1 4.25Å
984	R	91.9	Very high	91.2	Very high	23 Å²	23	26 Å²	26	9%	0.087	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-67.2	-22.9	-177	-68.1	174.2	-73.6	178.2	-4.5	112.8	M917 D982 Y986 R987	M917-R984 HydrophobicContact SD-CB 3.68Å; D982-R984 PolarHBondContact O-N 3.43Å; D982-R984 WeakPolarHBondContact OD1-CB 3.34Å; D982-R984 WeakPolarHBondContact OD1-CG 3.49Å; D982-R984 IonicContact OD1-CZ 2.7Å; D982-R984 PolarHBondContact OD1-N 3.47Å; D982-R984 IonicContact OD1-NE 2.76Å; D982-R984 PolarHBondContact OD1-NE 2.92Å; D982-R984 IonicContact OD1-NH2 3.41Å; D982-R984 IonicContact OD2-CZ 3.39Å; D982-R984 IonicContact OD2-NE 3.44Å; D982-R984 PolarHBondContact OD2-NE 3.48Å; D982-R984 IonicContact OD2-NH2 3.36Å; D982-R984 PolarHBondContact OD2-NH2 2.96Å; R984-Y986 PolarHBondContact O-N 3.21Å; R984-Y986 VanDerWaalsContact O-N 3.11Å; R984-R987 WeakPolarHBondContact O-CB 3.37Å; R984-R987 WeakPolarHBondContact O-CG 3.33Å; R984-R987 PolarHBondContact O-N 3.47Å
985	Y	92.3	Very high	91.2	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.012	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-64.3	-12.3	175.7	-71.6	-67.3	0	0	0	114	I914 G916 M917 I961 L980 D982 N983 I990 Q991	I914-Y985 WeakPolarHBondContact CG2-OH 3.4Å; G916-Y985 PolarHBondContact O-OH 2.91Å; G916-Y985 VanDerWaalsContact O-OH 3.08Å; M917-Y985 HydrophobicContact CE-CE1 4.46Å; M917-Y985 HydrophobicContact CG-CE1 4.23Å; M917-Y985 HydrophobicContact CG-CE2 4.07Å; I961-Y985 HydrophobicContact CD1-CE1 4.03Å; I961-Y985 WeakPolarHBondContact CD1-OH 3.5Å; I961-Y985 HydrophobicContact CG2-CE1 4.44Å; L980-Y985 HydrophobicContact CB-CD1 4.09Å; L980-Y985 HydrophobicContact CB-CD2 3.56Å; L980-Y985 HydrophobicContact CB-CE1 4.21Å; L980-Y985 HydrophobicContact CB-CE2 3.71Å; L980-Y985 HydrophobicContact CB-CG 3.76Å; L980-Y985 HydrophobicContact CD1-CD1 3.82Å; L980-Y985 HydrophobicContact CD1-CE1 4.03Å; L980-Y985 HydrophobicContact CD1-CG 4.2Å; L980-Y985 HydrophobicContact CD2-CE1 4.22Å; L980-Y985 HydrophobicContact CG-CD1 4.44Å; L980-Y985 HydrophobicContact CG-CE1 4.39Å; D982-Y985 HydrophobicContact CB-CD2 3.48Å; D982-Y985 VanDerWaalsContact CB-CD2 3.48Å; D982-Y985 HydrophobicContact CB-CE2 3.6Å; D982-Y985 WeakPolarHBondContact O-CD2 3.44Å; D982-Y985 PolarHBondContact O-N 3.12Å; N983-Y985 PolarHBondContact O-N 3.11Å; Y985-I990 HydrophobicContact CD1-CG2 4.11Å; Y985-Q991 WeakPolarHBondContact O-CG 3.4Å; Y985-Q991 PolarHBondContact O-NE2 2.97Å
986	Y	88.3	Confident	90.9	Very high	34 Å²	34	31.5 Å²	31.5	13%	0.133	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-82.6	-14.2	174.1	-78.3	-98.3	0	0	0	114	P779 N983 R984 S988 R1022 F1024 L1025	P779-Y986 HydrophobicContact CB-CD2 4.18Å; P779-Y986 HydrophobicContact CB-CE2 3.58Å; P779-Y986 WeakPolarHBondContact O-CE2 3.38Å; P779-Y986 PolarHBondContact O-OH 3.44Å; N983-Y986 PolarHBondContact O-N 3.25Å; R984-Y986 PolarHBondContact O-N 3.21Å; R984-Y986 VanDerWaalsContact O-N 3.11Å; Y986-S988 PolarHBondContact O-N 3.33Å; Y986-R1022 PolarHBondContact O-NH1 3.22Å; Y986-F1024 HydrophobicContact CD1-CD1 4.08Å; Y986-F1024 HydrophobicContact CD1-CE1 4.42Å; Y986-F1024 AromaticContact CD2-CD1 3.58Å; Y986-F1024 HydrophobicContact CD2-CD1 3.58Å; Y986-F1024 AromaticContact CD2-CE1 3.74Å; Y986-F1024 HydrophobicContact CD2-CE1 3.74Å; Y986-F1024 AromaticContact CE1-CD1 3.99Å; Y986-F1024 HydrophobicContact CE1-CD1 3.99Å; Y986-F1024 AromaticContact CE2-CD1 3.51Å; Y986-F1024 HydrophobicContact CE2-CD1 3.51Å; Y986-F1024 HydrophobicContact CE2-CE1 4.15Å; Y986-F1024 AromaticContact CG-CD1 3.88Å; Y986-F1024 HydrophobicContact CG-CD1 3.88Å; Y986-F1024 AromaticContact CG-CE1 3.9Å; Y986-F1024 HydrophobicContact CG-CE1 3.9Å; Y986-F1024 AromaticContact CZ-CD1 3.71Å; Y986-L1025 WeakPolarHBondContact OH-CB 3.44Å; Y986-L1025 PolarHBondContact OH-N 3.48Å
987	R	88.9	Confident	90.6	Very high	141 Å²	141	32 Å²	32	53%	0.532	16%	0.163	S	C	.	.	S	Bend	trans	-66.7	131.8	178.4	-64.6	179.3	-178.2	-178.7	0.5	109.8	R984 T989 I990 Q991	R984-R987 WeakPolarHBondContact O-CB 3.37Å; R984-R987 WeakPolarHBondContact O-CG 3.33Å; R984-R987 PolarHBondContact O-N 3.47Å; R987-T989 VanDerWaalsContact C-N 3.25Å; R987-T989 PolarHBondContact O-N 2.99Å; R987-I990 HydrophobicContact CB-CB 4.4Å; R987-I990 HydrophobicContact CB-CG1 4.09Å; R987-I990 PolarHBondContact O-N 3.15Å; R987-I990 VanDerWaalsContact O-N 3.12Å; R987-Q991 PolarHBondContact O-N 3.17Å
988	S	86.2	Confident	90.3	Very high	80 Å²	80	32 Å²	32	56%	0.559	16%	0.163	S	C	*	.	H	α-helix	trans	-58.1	-38.3	179.6	48.3	0	0	0	0	112.5	Y986 I990 Q991 S992	Y986-S988 PolarHBondContact O-N 3.33Å; S988-I990 VanDerWaalsContact C-N 3.29Å; S988-I990 PolarHBondContact O-N 3.49Å; S988-Q991 PolarHBondContact O-N 2.94Å; S988-S992 WeakPolarHBondContact O-CB 3.33Å; S988-S992 PolarHBondContact O-N 3.37Å; S988-S992 PolarHBondContact O-OG 3.42Å
989	T	86.1	Confident	90.1	Very high	61 Å²	61	35.6 Å²	35.6	37%	0.374	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-31	178	53.2	0	0	0	0	113.8	R987 S992 Q993	R987-T989 VanDerWaalsContact C-N 3.25Å; R987-T989 PolarHBondContact O-N 2.99Å; T989-S992 PolarHBondContact O-OG 3.48Å; T989-Q993 WeakPolarHBondContact O-CG 3.34Å; T989-Q993 PolarHBondContact O-NE2 3.36Å
990	I	89.4	Confident	89.7	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-81.5	-43.3	176.6	-61.8	-52.8	0	0	0	110	M917 Y919 M958 Y985 R987 S988 S992 Q993	M917-I990 HydrophobicContact CE-CD1 4.01Å; M917-I990 HydrophobicContact CE-CG1 4.33Å; M917-I990 HydrophobicContact CE-CG2 3.78Å; M917-I990 HydrophobicContact SD-CG2 4.49Å; Y919-I990 WeakPolarHBondContact OH-CD1 3.19Å; M958-I990 HydrophobicContact CE-CG2 4.05Å; M958-I990 HydrophobicContact SD-CG2 3.77Å; Y985-I990 HydrophobicContact CD1-CG2 4.11Å; R987-I990 HydrophobicContact CB-CB 4.4Å; R987-I990 HydrophobicContact CB-CG1 4.09Å; R987-I990 PolarHBondContact O-N 3.15Å; R987-I990 VanDerWaalsContact O-N 3.12Å; S988-I990 VanDerWaalsContact C-N 3.29Å; S988-I990 PolarHBondContact O-N 3.49Å; I990-S992 VanDerWaalsContact C-N 3.27Å; I990-S992 PolarHBondContact O-N 3.44Å; I990-Q993 PolarHBondContact O-N 3.34Å; I990-Q993 VanDerWaalsContact O-N 3.08Å
991	Q	89.1	Confident	89.5	Confident	16 Å²	16	40.4 Å²	40.4	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-34.9	177.3	-68.1	-170.5	3.5	0	0	112.4	Y985 R987 S988 Q993 L994 Q999	Y985-Q991 WeakPolarHBondContact O-CG 3.4Å; Y985-Q991 PolarHBondContact O-NE2 2.97Å; R987-Q991 PolarHBondContact O-N 3.17Å; S988-Q991 PolarHBondContact O-N 2.94Å; Q991-Q993 PolarHBondContact O-N 2.89Å; Q991-L994 WeakPolarHBondContact O-CB 3.35Å; Q991-L994 PolarHBondContact O-N 3.49Å; Q991-Q999 WeakPolarHBondContact O-CG 3.42Å; Q991-Q999 PolarHBondContact O-NE2 3.37Å
992	S	88.8	Confident	89.3	Confident	77 Å²	77	41.2 Å²	41.2	54%	0.538	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.9	176.2	57.2	0	0	0	0	113.9	S988 T989 I990 Q999	S988-S992 WeakPolarHBondContact O-CB 3.33Å; S988-S992 PolarHBondContact O-N 3.37Å; S988-S992 PolarHBondContact O-OG 3.42Å; T989-S992 PolarHBondContact O-OG 3.48Å; I990-S992 VanDerWaalsContact C-N 3.27Å; I990-S992 PolarHBondContact O-N 3.44Å; S992-Q999 PolarHBondContact O-NE2 3.49Å
993	Q	89.8	Confident	89	Confident	42 Å²	42	43.2 Å²	43.2	20%	0.196	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.9	176.7	-68.1	179.7	47.4	0	0	113.2	E954 M958 N962 T989 I990 Q991	E954-Q993 PolarHBondContact OE2-NE2 3.02Å; E954-Q993 VanDerWaalsContact OE2-NE2 3.16Å; M958-Q993 HydrophobicContact CB-CB 4.09Å; M958-Q993 HydrophobicContact CE-CB 4.22Å; M958-Q993 HydrophobicContact CG-CB 3.8Å; M958-Q993 HydrophobicContact CG-CG 4.49Å; N962-Q993 PolarHBondContact ND2-O 2.99Å; T989-Q993 WeakPolarHBondContact O-CG 3.34Å; T989-Q993 PolarHBondContact O-NE2 3.36Å; I990-Q993 PolarHBondContact O-N 3.34Å; I990-Q993 VanDerWaalsContact O-N 3.08Å; Q991-Q993 PolarHBondContact O-N 2.89Å
994	L	90.5	Very high	88.4	Confident	7 Å²	7	49 Å²	49	4%	0.037	24%	0.237	C	C	.	.	S	Bend	trans	-71.4	149.2	167.6	-64.6	171.6	0	0	0	109.3	M958 N962 I965 Q991 V998 Q999 V1002	M958-L994 HydrophobicContact CE-CD2 3.62Å; M958-L994 HydrophobicContact CE-CG 4.09Å; N962-L994 WeakPolarHBondContact OD1-CD2 3.43Å; I965-L994 HydrophobicContact CD1-CD2 4.19Å; Q991-L994 WeakPolarHBondContact O-CB 3.35Å; Q991-L994 PolarHBondContact O-N 3.49Å; L994-V998 HydrophobicContact CB-CB 4.39Å; L994-V998 HydrophobicContact CB-CG1 4.35Å; L994-V998 HydrophobicContact CD1-CG1 4.38Å; L994-V998 HydrophobicContact CD2-CG1 4.37Å; L994-Q999 HydrophobicContact CB-CG 3.85Å; L994-Q999 PolarHBondContact O-NE2 2.91Å; L994-V1002 HydrophobicContact CD1-CG2 4.13Å
995	P	88.3	Confident	87.3	Confident	11 Å²	11	50.9 Å²	50.9	7%	0.071	25%	0.246	C	C	.	.			trans	-60.3	148.6	174.3	-22.4	33.3	0	0	0	110.9	N962 W997 V998 Q999	N962-P995 HydrophobicContact CB-CG 4.2Å; N962-P995 VanDerWaalsContact CG-CD 3.48Å; N962-P995 WeakPolarHBondContact OD1-CD 3.46Å; P995-W997 VanDerWaalsContact C-N 3.29Å; P995-W997 HydrophobicContact CB-CG 4.49Å; P995-W997 PolarHBondContact O-N 2.79Å; P995-V998 HydrophobicContact CB-CG2 4.1Å; P995-V998 HydrophobicContact CG-CG2 4.03Å; P995-V998 WeakPolarHBondContact O-CA 3.47Å; P995-V998 WeakPolarHBondContact O-CB 3.37Å; P995-V998 PolarHBondContact O-N 3.42Å; P995-Q999 WeakPolarHBondContact O-CG 3.4Å; P995-Q999 PolarHBondContact O-N 3.39Å
996	K	86.8	Confident	85.5	Confident	124 Å²	124	58.9 Å²	58.9	54%	0.539	28%	0.284	S	S	.	.	H	α-helix	trans	-51.6	-45.1	-176.7	-70.6	-178.6	-179.9	174.5	0	113.1	V998 Q999 Q1000	K996-V998 VanDerWaalsContact C-N 3.31Å; K996-V998 PolarHBondContact O-N 3.41Å; K996-Q999 WeakPolarHBondContact O-CB 3.46Å; K996-Q999 PolarHBondContact O-N 2.93Å; K996-Q1000 WeakPolarHBondContact O-CG 3.22Å; K996-Q1000 PolarHBondContact O-N 2.94Å
997	W	86.1	Confident	83.5	Confident	10 Å²	10	64.2 Å²	64.2	4%	0.038	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-37.3	177.4	70.5	-86.4	0	0	0	112.6	H767 I769 A771 L775 I965 I969 P995 S1001	H767-W997 HydrophobicContact CB-CB 3.96Å; H767-W997 HydrophobicContact CB-CD2 3.76Å; H767-W997 HydrophobicContact CB-CE3 4.05Å; H767-W997 HydrophobicContact CB-CG 3.7Å; H767-W997 AromaticContact CD2-CD2 3.89Å; H767-W997 AromaticContact CD2-CE2 3.71Å; H767-W997 AromaticContact CD2-CE3 3.98Å; H767-W997 AromaticContact CD2-CH2 3.82Å; H767-W997 AromaticContact CD2-CZ2 3.72Å; H767-W997 AromaticContact CD2-CZ3 3.91Å; I769-W997 HydrophobicContact CD1-CE3 4.28Å; I769-W997 HydrophobicContact CD1-CZ3 4.08Å; I769-W997 HydrophobicContact CG1-CE3 4.49Å; A771-W997 HydrophobicContact CB-CB 4.34Å; A771-W997 VanDerWaalsContact CB-O 3.31Å; A771-W997 WeakPolarHBondContact CB-O 3.35Å; L775-W997 HydrophobicContact CB-CZ3 4.42Å; L775-W997 HydrophobicContact CD2-CE3 3.7Å; L775-W997 HydrophobicContact CD2-CH2 4Å; L775-W997 HydrophobicContact CD2-CZ3 3.26Å; L775-W997 HydrophobicContact CG-CZ3 4.33Å; I965-W997 HydrophobicContact CG2-CH2 4.24Å; I969-W997 HydrophobicContact CD1-CH2 4.02Å; I969-W997 HydrophobicContact CD1-CZ3 3.7Å; P995-W997 VanDerWaalsContact C-N 3.29Å; P995-W997 HydrophobicContact CB-CG 4.49Å; P995-W997 PolarHBondContact O-N 2.79Å; W997-S1001 PolarHBondContact O-OG 3.42Å
998	V	89.6	Confident	81.2	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-70.7	-41	175.7	-176.8	0	0	0	0	110.8	L775 V777 I965 L994 P995 K996 Q1000 S1001 V1002	L775-V998 HydrophobicContact CD2-CB 4.47Å; L775-V998 HydrophobicContact CD2-CG1 4.4Å; L775-V998 HydrophobicContact CD2-CG2 4.23Å; V777-V998 HydrophobicContact CG2-CG1 3.88Å; I965-V998 HydrophobicContact CD1-CG1 4.21Å; I965-V998 HydrophobicContact CG2-CG1 4.38Å; I965-V998 HydrophobicContact CG2-CG2 4Å; L994-V998 HydrophobicContact CB-CB 4.39Å; L994-V998 HydrophobicContact CB-CG1 4.35Å; L994-V998 HydrophobicContact CD1-CG1 4.38Å; L994-V998 HydrophobicContact CD2-CG1 4.37Å; P995-V998 HydrophobicContact CB-CG2 4.1Å; P995-V998 HydrophobicContact CG-CG2 4.03Å; P995-V998 WeakPolarHBondContact O-CA 3.47Å; P995-V998 WeakPolarHBondContact O-CB 3.37Å; P995-V998 PolarHBondContact O-N 3.42Å; K996-V998 VanDerWaalsContact C-N 3.31Å; K996-V998 PolarHBondContact O-N 3.41Å; V998-Q1000 PolarHBondContact O-N 3.33Å; V998-S1001 WeakPolarHBondContact O-CB 3.41Å; V998-S1001 PolarHBondContact O-N 2.92Å; V998-V1002 WeakPolarHBondContact O-CG2 3.47Å; V998-V1002 PolarHBondContact O-N 3.09Å
999	Q	90.3	Very high	78.9	Confident	76 Å²	76	67.4 Å²	67.4	36%	0.355	34%	0.335	S	S	.	.	H	α-helix	trans	-56.5	-37.2	177.7	-67	-178.2	27.8	0	0	112	Q991 S992 L994 P995 K996 S1001 V1002	Q991-Q999 WeakPolarHBondContact O-CG 3.42Å; Q991-Q999 PolarHBondContact O-NE2 3.37Å; S992-Q999 PolarHBondContact O-NE2 3.49Å; L994-Q999 HydrophobicContact CB-CG 3.85Å; L994-Q999 PolarHBondContact O-NE2 2.91Å; P995-Q999 WeakPolarHBondContact O-CG 3.4Å; P995-Q999 PolarHBondContact O-N 3.39Å; K996-Q999 WeakPolarHBondContact O-CB 3.46Å; K996-Q999 PolarHBondContact O-N 2.93Å; Q999-S1001 PolarHBondContact O-N 2.99Å; Q999-V1002 PolarHBondContact O-N 3.2Å
1000	Q	88	Confident	76.7	Confident	99 Å²	99	74 Å²	74	46%	0.463	36%	0.359	S	S	.	.	H	α-helix	trans	-68.6	-21.9	177.6	-65.9	173.4	28	0	0	113.5	K996 V998	K996-Q1000 WeakPolarHBondContact O-CG 3.22Å; K996-Q1000 PolarHBondContact O-N 2.94Å; V998-Q1000 PolarHBondContact O-N 3.33Å
1001	S	90	Very high	74.1	Confident	3 Å²	3	82.4 Å²	82.4	2%	0.021	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.7	-179.7	-60.9	0	0	0	0	113.7	A771 L775 V777 W997 V998 Q999 I1003	A771-S1001 VanDerWaalsContact C-OG 3.27Å; A771-S1001 PolarHBondContact O-OG 2.63Å; L775-S1001 WeakPolarHBondContact CB-OG 3.46Å; L775-S1001 VanDerWaalsContact O-CB 3.23Å; L775-S1001 WeakPolarHBondContact O-CB 3.19Å; L775-S1001 PolarHBondContact O-OG 3.24Å; V777-S1001 PolarHBondContact N-O 2.78Å; W997-S1001 PolarHBondContact O-OG 3.42Å; V998-S1001 WeakPolarHBondContact O-CB 3.41Å; V998-S1001 PolarHBondContact O-N 2.92Å; Q999-S1001 PolarHBondContact O-N 2.99Å; S1001-I1003 PolarHBondContact O-N 3.12Å
1002	V	90.3	Very high	71.3	Confident	17 Å²	17	86.5 Å²	86.5	10%	0.103	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-71.1	112.1	178.9	179.7	0	0	0	0	110	V777 P779 L994 V998 Q999 R1004	V777-V1002 HydrophobicContact CB-CG2 4.28Å; V777-V1002 HydrophobicContact CG1-CG2 4.31Å; P779-V1002 HydrophobicContact CG-CG1 3.61Å; L994-V1002 HydrophobicContact CD1-CG2 4.13Å; V998-V1002 WeakPolarHBondContact O-CG2 3.47Å; V998-V1002 PolarHBondContact O-N 3.09Å; Q999-V1002 PolarHBondContact O-N 3.2Å; V1002-R1004 HydrophobicContact CG1-CG 4.46Å; V1002-R1004 PolarHBondContact O-N 2.94Å
1003	I	87.3	Confident	68.7	Low	42 Å²	42	90.1 Å²	90.1	22%	0.215	44%	0.44	C	S	.	.			trans	-75.2	124.4	176.5	-55.7	-56.6	0	0	0	109.1	V777 Y778 S1001 L1025	V777-I1003 PolarHBondContact O-N 3.38Å; Y778-I1003 HydrophobicContact CD1-CB 3.95Å; Y778-I1003 HydrophobicContact CD1-CG1 3.93Å; Y778-I1003 HydrophobicContact CD1-CG2 4.33Å; Y778-I1003 HydrophobicContact CE1-CB 4.09Å; Y778-I1003 HydrophobicContact CE1-CG1 3.66Å; Y778-I1003 HydrophobicContact CE1-CG2 4.3Å; S1001-I1003 PolarHBondContact O-N 3.12Å; I1003-L1025 HydrophobicContact CG2-CD2 4.23Å
1004	R	78.9	Confident	66.1	Low	158 Å²	158	93.1 Å²	93.1	60%	0.596	47%	0.466	S	S	*	.			trans	-116.3	148.3	177.7	-64.1	178.4	176.5	169.6	-0.6	108.9	V1002 Q1006	V1002-R1004 HydrophobicContact CG1-CG 4.46Å; V1002-R1004 PolarHBondContact O-N 2.94Å; R1004-Q1006 PolarHBondContact O-N 3.3Å
1005	Q	67.8	Low	63.2	Low	62 Å²	62	101.2 Å²	101.2	29%	0.29	51%	0.508	S	S	.	.			trans	-63.3	130.8	174.6	-155.4	176.2	26	0	0	109.5	L1007 K1023 E1029	Q1005-L1007 PolarHBondContact O-N 2.96Å; Q1005-K1023 PolarHBondContact OE1-O 3.23Å; Q1005-E1029 PolarHBondContact NE2-OE1 2.79Å; Q1005-E1029 PolarHBondContact NE2-OE2 3.42Å
1006	Q	55.7	Low	60.5	Low	172 Å²	172	105.9 Å²	105.9	80%	0.804	54%	0.541	S	S	*	.			trans	-73.3	116.5	174.6	-69	-176.8	-17.6	0	0	108.2	R1004 N1008	R1004-Q1006 PolarHBondContact O-N 3.3Å; Q1006-N1008 PolarHBondContact O-N 3.41Å
1007	L	45.1	Very low	57.8	Low	146 Å²	146	105.1 Å²	105.1	76%	0.764	55%	0.551	S	S	*	*			trans	-67.3	114.2	163.2	-72	168.2	0	0	0	106	Q1005 D1009	Q1005-L1007 PolarHBondContact O-N 2.96Å; L1007-D1009 PolarHBondContact O-N 3.1Å
1008	N	40.9	Very low	55.2	Low	140 Å²	140	109.9 Å²	109.9	75%	0.749	59%	0.586	S	S	*	*			trans	-60.7	108.1	170.4	-78.6	-24.5	0	0	0	107.9	Q1006 K1010	Q1006-N1008 PolarHBondContact O-N 3.41Å; N1008-K1010 PolarHBondContact O-N 3.19Å
1009	D	37.4	Very low	52.4	Low	147 Å²	147	116.3 Å²	116.3	79%	0.786	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	22.4	-179.3	-78.4	-28.6	0	0	0	114.8	L1007	L1007-D1009 PolarHBondContact O-N 3.1Å
1010	K	40.5	Very low	49.7	Very low	200 Å²	200	122 Å²	122	87%	0.87	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	4.3	177.7	-72.4	-168.5	176.3	-177.8	0	115.1	N1008	N1008-K1010 PolarHBondContact O-N 3.19Å
1011	Q	34.9	Very low	47.4	Very low	181 Å²	181	124.6 Å²	124.6	85%	0.846	66%	0.659	S	S	*	*			trans	-133.1	20.5	-179.7	-74.3	-174.6	-14.4	0	0	115.4	I1013	Q1011-I1013 VanDerWaalsContact C-N 3.27Å; Q1011-I1013 PolarHBondContact O-N 3.1Å; Q1011-I1013 VanDerWaalsContact O-N 3.15Å
1012	S	31.6	Very low	45.5	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	68%	0.684	S	S	*	*			trans	-87.3	62.7	170.1	63.2	0	0	0	0	111.5
1013	I	34	Very low	44.2	Very low	152 Å²	152	138.1 Å²	138.1	78%	0.779	71%	0.711	S	S	*	*	S	Bend	trans	-128.2	120.6	159.6	-60.9	176.1	0	0	0	106.2	Q1011	Q1011-I1013 VanDerWaalsContact C-N 3.27Å; Q1011-I1013 PolarHBondContact O-N 3.1Å; Q1011-I1013 VanDerWaalsContact O-N 3.15Å
1014	S	33.5	Very low	43.3	Very low	105 Å²	105	139 Å²	139	73%	0.734	71%	0.714	S	S	*	*	S	Bend	trans	61	78.1	169.9	66.3	0	0	0	0	117.9
1015	L	31.4	Very low	43.3	Very low	178 Å²	178	131.9 Å²	131.9	93%	0.932	69%	0.688	S	S	*	*			trans	-140.6	117	147.3	-86.7	165.8	0	0	0	108.9
1016	S	30	Very low	43.9	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	68%	0.682	S	S	*	*			trans	-62.8	144.5	-179.2	44.3	0	0	0	0	112.9
1017	S	30.6	Very low	45.4	Very low	108 Å²	108	122.9 Å²	122.9	76%	0.755	65%	0.647	S	S	*	*	S	Bend	trans	-6.8	136.1	161.8	46.9	0	0	0	0	118.6
1018	S	31.6	Very low	47.4	Very low	110 Å²	110	119.7 Å²	119.7	77%	0.769	64%	0.637	S	S	*	*	S	Bend	trans	81.1	75.5	173.7	67	0	0	0	0	116.5
1019	D	31.5	Very low	49.6	Very low	137 Å²	137	116.6 Å²	116.6	73%	0.733	62%	0.618	S	S	*	*			trans	177.3	80.9	132.7	-88.5	-19.7	0	0	0	109.6	H1021	D1019-H1021 PolarHBondContact O-N 3.01Å
1020	H	33.4	Very low	52.1	Low	195 Å²	195	109.6 Å²	109.6	90%	0.903	58%	0.58	S	S	*	*			trans	-74	64.1	167.2	-79.7	-55.8	0	0	0	110.3	R1022	H1020-R1022 PolarHBondContact O-N 2.83Å
1021	H	40.1	Very low	54.5	Low	154 Å²	154	100.1 Å²	100.1	71%	0.713	54%	0.539	S	S	*	.			trans	-67.7	89.1	158.3	-78.7	-50.7	0	0	0	107.4	D1019 K1023	D1019-H1021 PolarHBondContact O-N 3.01Å; H1021-K1023 VanDerWaalsContact C-N 3.35Å; H1021-K1023 PolarHBondContact O-N 3.32Å
1022	R	50.1	Low	57.2	Low	146 Å²	146	98.2 Å²	98.2	55%	0.551	53%	0.531	S	S	*	.			trans	-51.8	103.7	164.7	-82.8	-179	175.2	174.2	-1.5	106.7	Y986 H1020 F1024	Y986-R1022 PolarHBondContact O-NH1 3.22Å; H1020-R1022 PolarHBondContact O-N 2.83Å; R1022-F1024 PolarHBondContact O-N 2.92Å
1023	K	61	Low	60	Low	157 Å²	157	97.3 Å²	97.3	68%	0.683	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-57.1	125.2	178.8	-73.8	-178.7	177.1	178.4	0	108	Q1005 H1021	Q1005-K1023 PolarHBondContact OE1-O 3.23Å; H1021-K1023 VanDerWaalsContact C-N 3.35Å; H1021-K1023 PolarHBondContact O-N 3.32Å
1024	F	69.6	Low	62.8	Low	61 Å²	61	90 Å²	90	27%	0.268	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-67.3	145.9	179.7	-62.9	-88.5	0	0	0	109.6	V782 N983 Y986 R1022 N1026	V782-F1024 HydrophobicContact CB-CB 4.26Å; V782-F1024 HydrophobicContact CB-CG 4.48Å; V782-F1024 HydrophobicContact CG1-CB 3.69Å; V782-F1024 HydrophobicContact CG1-CD1 4.05Å; V782-F1024 HydrophobicContact CG1-CD2 3.35Å; V782-F1024 HydrophobicContact CG1-CE2 3.91Å; V782-F1024 HydrophobicContact CG1-CG 3.43Å; V782-F1024 VanDerWaalsContact CG1-CG 3.43Å; V782-F1024 HydrophobicContact CG1-CZ 4.46Å; V782-F1024 HydrophobicContact CG2-CB 3.56Å; V782-F1024 HydrophobicContact CG2-CG 4.28Å; N983-F1024 HydrophobicContact CB-CE1 4.25Å; Y986-F1024 HydrophobicContact CD1-CD1 4.08Å; Y986-F1024 HydrophobicContact CD1-CE1 4.42Å; Y986-F1024 AromaticContact CD2-CD1 3.58Å; Y986-F1024 HydrophobicContact CD2-CD1 3.58Å; Y986-F1024 AromaticContact CD2-CE1 3.74Å; Y986-F1024 HydrophobicContact CD2-CE1 3.74Å; Y986-F1024 AromaticContact CE1-CD1 3.99Å; Y986-F1024 HydrophobicContact CE1-CD1 3.99Å; Y986-F1024 AromaticContact CE2-CD1 3.51Å; Y986-F1024 HydrophobicContact CE2-CD1 3.51Å; Y986-F1024 HydrophobicContact CE2-CE1 4.15Å; Y986-F1024 AromaticContact CG-CD1 3.88Å; Y986-F1024 HydrophobicContact CG-CD1 3.88Å; Y986-F1024 AromaticContact CG-CE1 3.9Å; Y986-F1024 HydrophobicContact CG-CE1 3.9Å; Y986-F1024 AromaticContact CZ-CD1 3.71Å; R1022-F1024 PolarHBondContact O-N 2.92Å; F1024-N1026 PolarHBondContact O-N 2.89Å
1025	L	77.9	Confident	65.5	Low	8 Å²	8	89.8 Å²	89.8	4%	0.042	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-64.3	123.7	171.9	-174.4	71.4	0	0	0	109.2	Y778 Y986 I1003 E1029 A1030	Y778-L1025 HydrophobicContact CD1-CD2 3.83Å; Y986-L1025 WeakPolarHBondContact OH-CB 3.44Å; Y986-L1025 PolarHBondContact OH-N 3.48Å; I1003-L1025 HydrophobicContact CG2-CD2 4.23Å; L1025-E1029 HydrophobicContact CD1-CB 4.16Å; L1025-A1030 HydrophobicContact CD2-CB 3.72Å; L1025-A1030 HydrophobicContact CG-CB 4.19Å
1026	N	82.1	Confident	68.4	Low	34 Å²	34	90 Å²	90	18%	0.182	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-74.4	145.4	178	-80.7	-15	0	0	0	111.1	H785 F1024 S1028 E1029 A1030	H785-N1026 PolarHBondContact NE2-ND2 3.35Å; H785-N1026 VanDerWaalsContact NE2-ND2 3.18Å; H785-N1026 PolarHBondContact NE2-OD1 2.6Å; F1024-N1026 PolarHBondContact O-N 2.89Å; N1026-S1028 VanDerWaalsContact C-N 3.28Å; N1026-S1028 PolarHBondContact O-N 3.41Å; N1026-E1029 HydrophobicContact CB-CG 4.21Å; N1026-E1029 PolarHBondContact O-N 3.42Å; N1026-E1029 VanDerWaalsContact O-N 3.15Å; N1026-A1030 PolarHBondContact O-N 3.18Å
1027	L	86.7	Confident	71.3	Confident	11 Å²	11	85.7 Å²	85.7	6%	0.058	42%	0.419	C	S	.	.	H	α-helix	trans	-58.6	-39	-178.5	178.2	59	0	0	0	112.5	L780 V813 Q816 A1030 L1031	L780-L1027 HydrophobicContact CD1-CD1 3.91Å; L780-L1027 HydrophobicContact CD2-CD1 4.45Å; V813-L1027 HydrophobicContact CB-CD2 4.12Å; V813-L1027 HydrophobicContact CG1-CD1 3.92Å; V813-L1027 HydrophobicContact CG1-CD2 4.04Å; V813-L1027 HydrophobicContact CG2-CD2 3.74Å; Q816-L1027 HydrophobicContact CB-CD2 4.46Å; L1027-A1030 PolarHBondContact O-N 3.18Å; L1027-L1031 HydrophobicContact CD1-CD1 3.91Å; L1027-L1031 HydrophobicContact CD1-CG 3.96Å; L1027-L1031 HydrophobicContact CG-CD1 3.88Å; L1027-L1031 HydrophobicContact CG-CG 4.36Å; L1027-L1031 WeakPolarHBondContact O-CB 2.8Å; L1027-L1031 VanDerWaalsContact O-CG 3.27Å; L1027-L1031 WeakPolarHBondContact O-CG 3.41Å; L1027-L1031 PolarHBondContact O-N 2.98Å
1028	S	86.9	Confident	74.2	Confident	80 Å²	80	81.2 Å²	81.2	56%	0.559	39%	0.386	S	S	*	.	H	α-helix	trans	-60.9	-45.6	176.4	53.6	0	0	0	0	112.3	N1026 L1031 E1032	N1026-S1028 VanDerWaalsContact C-N 3.28Å; N1026-S1028 PolarHBondContact O-N 3.41Å; S1028-L1031 PolarHBondContact O-N 3.37Å; S1028-E1032 WeakPolarHBondContact O-CB 3.39Å; S1028-E1032 PolarHBondContact O-N 3.4Å
1029	E	86.3	Confident	76.9	Confident	74 Å²	74	78.4 Å²	78.4	35%	0.346	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-43.1	176.9	-64.1	176.8	178.4	0	0	110.9	Q1005 L1025 N1026 L1031 E1032 H1033	Q1005-E1029 PolarHBondContact NE2-OE1 2.79Å; Q1005-E1029 PolarHBondContact NE2-OE2 3.42Å; L1025-E1029 HydrophobicContact CD1-CB 4.16Å; N1026-E1029 HydrophobicContact CB-CG 4.21Å; N1026-E1029 PolarHBondContact O-N 3.42Å; N1026-E1029 VanDerWaalsContact O-N 3.15Å; E1029-L1031 PolarHBondContact O-N 3.17Å; E1029-E1032 PolarHBondContact O-N 3.2Å; E1029-H1033 WeakPolarHBondContact O-CB 3.41Å; E1029-H1033 PolarHBondContact O-N 3.14Å
1030	A	89.9	Confident	79.6	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-43	177.5	0	0	0	0	0	111.9	Y778 L780 F979 L1025 N1026 L1027 A1034	Y778-A1030 HydrophobicContact CD1-CB 3.97Å; Y778-A1030 HydrophobicContact CG-CB 4.29Å; L780-A1030 HydrophobicContact CD2-CB 3.95Å; F979-A1030 HydrophobicContact CE1-CB 4.26Å; L1025-A1030 HydrophobicContact CD2-CB 3.72Å; L1025-A1030 HydrophobicContact CG-CB 4.19Å; N1026-A1030 PolarHBondContact O-N 3.18Å; L1027-A1030 PolarHBondContact O-N 3.18Å; A1030-A1034 VanDerWaalsContact O-CB 3.23Å; A1030-A1034 WeakPolarHBondContact O-CB 3.35Å; A1030-A1034 PolarHBondContact O-N 3.3Å
1031	L	91.6	Very high	82.2	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-70.4	-39.1	179.2	-72.2	172.3	0	0	0	112.7	Q816 I817 F979 L1027 S1028 E1029 A1034 K1035	Q816-L1031 HydrophobicContact CB-CD1 3.89Å; I817-L1031 HydrophobicContact CB-CD2 4.43Å; I817-L1031 HydrophobicContact CG1-CD2 3.79Å; F979-L1031 HydrophobicContact CZ-CD2 4.47Å; L1027-L1031 HydrophobicContact CD1-CD1 3.91Å; L1027-L1031 HydrophobicContact CD1-CG 3.96Å; L1027-L1031 HydrophobicContact CG-CD1 3.88Å; L1027-L1031 HydrophobicContact CG-CG 4.36Å; L1027-L1031 WeakPolarHBondContact O-CB 2.8Å; L1027-L1031 VanDerWaalsContact O-CG 3.27Å; L1027-L1031 WeakPolarHBondContact O-CG 3.41Å; L1027-L1031 PolarHBondContact O-N 2.98Å; S1028-L1031 PolarHBondContact O-N 3.37Å; E1029-L1031 PolarHBondContact O-N 3.17Å; L1031-A1034 PolarHBondContact O-N 3.27Å; L1031-K1035 WeakPolarHBondContact O-CG 3.31Å; L1031-K1035 PolarHBondContact O-N 3.28Å
1032	E	90.4	Very high	84.2	Confident	142 Å²	142	63.9 Å²	63.9	66%	0.664	30%	0.3	S	S	*	.	H	α-helix	trans	-62.7	-46.6	174.7	-174.2	177.3	179.2	0	0	111.1	S1028 E1029 A1034 K1035 R1036	S1028-E1032 WeakPolarHBondContact O-CB 3.39Å; S1028-E1032 PolarHBondContact O-N 3.4Å; E1029-E1032 PolarHBondContact O-N 3.2Å; E1032-A1034 VanDerWaalsContact C-N 3.35Å; E1032-A1034 PolarHBondContact O-N 3.43Å; E1032-K1035 PolarHBondContact O-N 3.27Å; E1032-R1036 PolarHBondContact O-N 3.39Å; E1032-R1036 VanDerWaalsContact O-N 3.15Å
1033	H	90.9	Very high	85.7	Confident	82 Å²	82	63.3 Å²	63.3	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-41.6	175.2	-171	-80.9	0	0	0	111.6	Y778 E1029 R1036 F1037	Y778-H1033 HydrophobicContact CE1-CB 4.04Å; Y778-H1033 AromaticContact CE1-ND1 3.5Å; Y778-H1033 WeakPolarHBondContact CE1-ND1 3.37Å; Y778-H1033 AromaticContact CZ-ND1 3.59Å; Y778-H1033 PolarHBondContact OH-ND1 2.84Å; E1029-H1033 WeakPolarHBondContact O-CB 3.41Å; E1029-H1033 PolarHBondContact O-N 3.14Å; H1033-R1036 PolarHBondContact O-N 2.94Å; H1033-F1037 WeakPolarHBondContact O-CB 3.24Å; H1033-F1037 PolarHBondContact O-N 2.93Å
1034	A	92.4	Very high	86.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-44.4	177.2	0	0	0	0	0	112.2	Y778 L821 F979 A1030 L1031 E1032 R1036 F1037 F1038	Y778-A1034 HydrophobicContact CE2-CB 4Å; Y778-A1034 VanDerWaalsContact OH-CA 3.25Å; Y778-A1034 WeakPolarHBondContact OH-CA 3.46Å; Y778-A1034 PolarHBondContact OH-N 3.2Å; L821-A1034 HydrophobicContact CD1-CB 4.24Å; L821-A1034 HydrophobicContact CD2-CB 3.93Å; F979-A1034 HydrophobicContact CZ-CB 4.02Å; A1030-A1034 VanDerWaalsContact O-CB 3.23Å; A1030-A1034 WeakPolarHBondContact O-CB 3.35Å; A1030-A1034 PolarHBondContact O-N 3.3Å; L1031-A1034 PolarHBondContact O-N 3.27Å; E1032-A1034 VanDerWaalsContact C-N 3.35Å; E1032-A1034 PolarHBondContact O-N 3.43Å; A1034-R1036 VanDerWaalsContact C-N 3.33Å; A1034-R1036 PolarHBondContact O-N 3.26Å; A1034-F1037 WeakPolarHBondContact O-CB 3.42Å; A1034-F1037 PolarHBondContact O-N 3.28Å; A1034-F1038 WeakPolarHBondContact O-CD2 3.42Å; A1034-F1038 PolarHBondContact O-N 2.79Å
1035	K	91.4	Very high	86.6	Confident	99 Å²	99	61.1 Å²	61.1	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-56.3	-47.6	174.6	-81.6	173.2	165	166.6	0	111.9	L821 L1031 E1032 F1037 F1038 S1039	L821-K1035 HydrophobicContact CD2-CG 4.38Å; L1031-K1035 WeakPolarHBondContact O-CG 3.31Å; L1031-K1035 PolarHBondContact O-N 3.28Å; E1032-K1035 PolarHBondContact O-N 3.27Å; K1035-F1037 VanDerWaalsContact C-N 3.32Å; K1035-F1037 PolarHBondContact O-N 3.41Å; K1035-F1038 PolarHBondContact O-N 3.14Å; K1035-S1039 PolarHBondContact O-N 3.14Å; K1035-S1039 PolarHBondContact O-OG 3.36Å
1036	R	91	Very high	86	Confident	183 Å²	183	69.4 Å²	69.4	69%	0.691	35%	0.347	S	S	*	.	H	α-helix	trans	-63.2	-39.9	177.6	-170.3	176.8	-175.5	159.6	2.2	112	E1032 H1033 A1034 S1039 C1040	E1032-R1036 PolarHBondContact O-N 3.39Å; E1032-R1036 VanDerWaalsContact O-N 3.15Å; H1033-R1036 PolarHBondContact O-N 2.94Å; A1034-R1036 VanDerWaalsContact C-N 3.33Å; A1034-R1036 PolarHBondContact O-N 3.26Å; R1036-S1039 WeakPolarHBondContact CA-OG 3.34Å; R1036-S1039 PolarHBondContact O-N 3.45Å; R1036-S1039 PolarHBondContact O-OG 3.16Å; R1036-C1040 WeakPolarHBondContact O-CB 3.37Å; R1036-C1040 PolarHBondContact O-N 3.41Å; R1036-C1040 PolarHBondContact O-SG 3.35Å
1037	F	92.4	Very high	86.2	Confident	18 Å²	18	71.2 Å²	71.2	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-44.8	174.6	165.5	-90.6	0	0	0	111.9	K773 Q774 A776 Y975 A976 A977 H1033 A1034 K1035 N1041	K773-F1037 WeakPolarHBondContact O-CE2 3.15Å; Q774-F1037 WeakPolarHBondContact O-CZ 3.26Å; A776-F1037 HydrophobicContact CB-CD1 4.47Å; A776-F1037 HydrophobicContact CB-CD2 3.81Å; A776-F1037 HydrophobicContact CB-CE2 3.91Å; A776-F1037 HydrophobicContact CB-CG 4.09Å; A776-F1037 HydrophobicContact CB-CZ 4.33Å; Y975-F1037 AromaticContact CD2-CE1 3.92Å; Y975-F1037 HydrophobicContact CD2-CE1 3.92Å; Y975-F1037 HydrophobicContact CD2-CZ 4.15Å; A976-F1037 WeakPolarHBondContact O-CZ 3.45Å; A977-F1037 HydrophobicContact CB-CE1 4.34Å; H1033-F1037 WeakPolarHBondContact O-CB 3.24Å; H1033-F1037 PolarHBondContact O-N 2.93Å; A1034-F1037 WeakPolarHBondContact O-CB 3.42Å; A1034-F1037 PolarHBondContact O-N 3.28Å; K1035-F1037 VanDerWaalsContact C-N 3.32Å; K1035-F1037 PolarHBondContact O-N 3.41Å; F1037-N1041 WeakPolarHBondContact CD2-ND2 2.94Å; F1037-N1041 WeakPolarHBondContact CE2-ND2 3.44Å; F1037-N1041 PolarHBondContact O-N 2.87Å; F1037-N1041 VanDerWaalsContact O-N 3.08Å; F1037-N1041 PolarHBondContact O-ND2 3.4Å
1038	F	91.1	Very high	86.1	Confident	13 Å²	13	74.4 Å²	74.4	6%	0.057	37%	0.371	C	S	.	.	H	α-helix	trans	-67.8	-41.2	177.1	-78.5	-70.1	0	0	0	112.3	L821 P822 R910 V911 Y975 A977 A1034 K1035 K1042	L821-F1038 HydrophobicContact CD1-CE2 4.07Å; L821-F1038 HydrophobicContact CD2-CD2 3.9Å; L821-F1038 HydrophobicContact CD2-CE2 4.02Å; L821-F1038 HydrophobicContact CG-CE2 4.44Å; P822-F1038 HydrophobicContact CG-CD1 4.33Å; P822-F1038 HydrophobicContact CG-CG 4.43Å; R910-F1038 HydrophobicContact CB-CE1 3.85Å; R910-F1038 HydrophobicContact CB-CZ 4.26Å; R910-F1038 HydrophobicContact CG-CE1 4.46Å; R910-F1038 WeakPolarHBondContact O-CZ 3.45Å; V911-F1038 HydrophobicContact CG2-CE2 4.12Å; V911-F1038 HydrophobicContact CG2-CZ 3.81Å; Y975-F1038 HydrophobicContact CD2-CD1 4.31Å; Y975-F1038 HydrophobicContact CD2-CE1 4.31Å; Y975-F1038 AromaticContact CE2-CD1 3.66Å; Y975-F1038 HydrophobicContact CE2-CD1 3.66Å; Y975-F1038 AromaticContact CE2-CE1 3.97Å; Y975-F1038 HydrophobicContact CE2-CE1 3.97Å; A977-F1038 HydrophobicContact CB-CE2 3.73Å; A977-F1038 HydrophobicContact CB-CZ 3.67Å; A1034-F1038 WeakPolarHBondContact O-CD2 3.42Å; A1034-F1038 PolarHBondContact O-N 2.79Å; K1035-F1038 PolarHBondContact O-N 3.14Å; F1038-K1042 WeakPolarHBondContact O-CB 3.5Å; F1038-K1042 PolarHBondContact O-N 3.27Å
1039	S	89	Confident	86.1	Confident	51 Å²	51	74.1 Å²	74.1	36%	0.357	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-47.2	177.3	62.9	0	0	0	0	111.5	K1035 R1036 N1041 K1042 E1043	K1035-S1039 PolarHBondContact O-N 3.14Å; K1035-S1039 PolarHBondContact O-OG 3.36Å; R1036-S1039 WeakPolarHBondContact CA-OG 3.34Å; R1036-S1039 PolarHBondContact O-N 3.45Å; R1036-S1039 PolarHBondContact O-OG 3.16Å; S1039-N1041 PolarHBondContact O-N 3.48Å; S1039-K1042 PolarHBondContact O-N 3.36Å; S1039-E1043 WeakPolarHBondContact O-CG 3.46Å; S1039-E1043 PolarHBondContact O-N 3.08Å
1040	C	88.5	Confident	86.1	Confident	61 Å²	61	74.1 Å²	74.1	41%	0.412	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-41.4	-179.9	-68.7	0	0	0	0	113	R1036 S1044	R1036-C1040 WeakPolarHBondContact O-CB 3.37Å; R1036-C1040 PolarHBondContact O-N 3.41Å; R1036-C1040 PolarHBondContact O-SG 3.35Å; C1040-S1044 PolarHBondContact O-N 2.81Å; C1040-S1044 VanDerWaalsContact O-N 3.09Å
1041	N	86.7	Confident	85.8	Confident	13 Å²	13	78.7 Å²	78.7	7%	0.07	38%	0.384	C	S	.	.	H	α-helix	trans	-71.1	-33.9	178	-79.2	-71.3	0	0	0	111.9	K773 Y975 F1037 S1039 S1044 L1045	K773-N1041 PolarHBondContact O-ND2 2.92Å; K773-N1041 PolarHBondContact O-OD1 3.41Å; Y975-N1041 HydrophobicContact CD1-CB 4.22Å; Y975-N1041 HydrophobicContact CD2-CB 3.39Å; Y975-N1041 HydrophobicContact CE1-CB 4.4Å; Y975-N1041 HydrophobicContact CE2-CB 3.51Å; Y975-N1041 HydrophobicContact CG-CB 3.75Å; F1037-N1041 WeakPolarHBondContact CD2-ND2 2.94Å; F1037-N1041 WeakPolarHBondContact CE2-ND2 3.44Å; F1037-N1041 PolarHBondContact O-N 2.87Å; F1037-N1041 VanDerWaalsContact O-N 3.08Å; F1037-N1041 PolarHBondContact O-ND2 3.4Å; S1039-N1041 PolarHBondContact O-N 3.48Å; N1041-S1044 WeakPolarHBondContact CA-OG 3.35Å; N1041-S1044 PolarHBondContact O-N 3.5Å; N1041-S1044 PolarHBondContact O-OG 3.29Å; N1041-L1045 WeakPolarHBondContact O-CG 3.32Å; N1041-L1045 PolarHBondContact O-N 3.18Å; N1041-L1045 VanDerWaalsContact O-N 3.17Å
1042	K	82.8	Confident	85.5	Confident	108 Å²	108	83.9 Å²	83.9	47%	0.47	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-45.9	174.3	-168.6	-177.5	178.8	-137.3	0	111.6	F1038 S1039 S1044 L1045 E1046	F1038-K1042 WeakPolarHBondContact O-CB 3.5Å; F1038-K1042 PolarHBondContact O-N 3.27Å; S1039-K1042 PolarHBondContact O-N 3.36Å; K1042-S1044 PolarHBondContact O-N 2.73Å; K1042-L1045 PolarHBondContact O-N 3.3Å; K1042-L1045 VanDerWaalsContact O-N 3.14Å; K1042-E1046 WeakPolarHBondContact CE-OE1 3.32Å; K1042-E1046 IonicContact NZ-OE1 3.32Å; K1042-E1046 PolarHBondContact NZ-OE1 3.1Å; K1042-E1046 PolarHBondContact O-N 3.18Å
1043	E	81	Confident	85.1	Confident	134 Å²	134	79.7 Å²	79.7	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-61.8	-27	173.7	-73.9	170.1	-170.1	0	0	113.4	S1039	S1039-E1043 WeakPolarHBondContact O-CG 3.46Å; S1039-E1043 PolarHBondContact O-N 3.08Å
1044	S	76.7	Confident	84.7	Confident	84 Å²	84	79.5 Å²	79.5	59%	0.587	39%	0.392	S	S	*	.	H	α-helix	trans	-83.3	-16.3	176.8	73.4	0	0	0	0	114.3	C1040 N1041 K1042	C1040-S1044 PolarHBondContact O-N 2.81Å; C1040-S1044 VanDerWaalsContact O-N 3.09Å; N1041-S1044 WeakPolarHBondContact CA-OG 3.35Å; N1041-S1044 PolarHBondContact O-N 3.5Å; N1041-S1044 PolarHBondContact O-OG 3.29Å; K1042-S1044 PolarHBondContact O-N 2.73Å
1045	L	71.9	Confident	84	Confident	88 Å²	88	86.2 Å²	86.2	46%	0.461	42%	0.424	S	S	.	.	H	α-helix	trans	-94.8	-36.2	178.7	-79.7	165.9	0	0	0	112.4	K973 Y975 N1041 K1042	K973-L1045 HydrophobicContact CB-CD2 4.35Å; Y975-L1045 HydrophobicContact CD1-CD1 3.75Å; Y975-L1045 HydrophobicContact CE1-CD1 3.14Å; N1041-L1045 WeakPolarHBondContact O-CG 3.32Å; N1041-L1045 PolarHBondContact O-N 3.18Å; N1041-L1045 VanDerWaalsContact O-N 3.17Å; K1042-L1045 PolarHBondContact O-N 3.3Å; K1042-L1045 VanDerWaalsContact O-N 3.14Å
1046	E	65.5	Low	83.3	Confident	182 Å²	182	85 Å²	85	85%	0.85	42%	0.424	S	S	*	.			trans	-65.3	0	164.7	-68.5	178.1	-172.6	0	0	110.1	K1042	K1042-E1046 WeakPolarHBondContact CE-OE1 3.32Å; K1042-E1046 IonicContact NZ-OE1 3.32Å; K1042-E1046 PolarHBondContact NZ-OE1 3.1Å; K1042-E1046 PolarHBondContact O-N 3.18Å

Retrieved 1,046 of 1,046 residues in 797.1 ms (Link to these results)

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