X5D2Q4_HUMAN Loading...

Neuronal PAS domain-containing protein 3

May play a broad role in neurogenesis. May control regulatory pathways relevant to schizophrenia and to psychotic illness.

AlphaFold DB (Q8IXF0), UniProt , Accession X5D2Q4, Species HUMAN (Homo sapiens, Human), Gene NPAS3, Length 933 aa.

						>X5D2Q4_HUMAN|X5D2Q4|NPAS3
MAPTKPSFQQDPSRRERITAQHPLPNQSECRKIYRYDGIYCESTYQNLQALRKEKSRDAARSRRGKENFEFYELAKLLPLPAAITSQLDKASIIRLTISYLKMRDFANQGDPPWNLRMEGPPPNTSVKVIGAQRRRSPSALAIEVFEAHLGSHILQSLDGFVFALNQEGKFLYISETVSIYLGLSQVELTGSSVFDYVHPGDHVEMAEQLGMKLPPGRGLLSQGTAEDGASSASSSSQSETPEPVESTSPSLLTTDNTLERSFFIRMKSTLTKRGVHIKSSGYKVIHITGRLRLRVSLSHGRTVPSQIMGLVVVAHALPPPTINEVRIDCHMFVTRVNMDLNIIYCENRISDYMDLTPVDIVGKRCYHFIHAEDVEGIRHSHLDLLNKGQCVTKYYRWMQKNGGYIWIQSSATIAINAKNANEKNIIWVNYLLSNPEYKDTPMDIAQLPHLPEKTSESSETSDSESDSKDTSGITEDNENSKSDEKGNQSENSEDPEPDRKKSGNACDNDMNCNDDGHSSSNPDSRDSDDSFEHSDFENPKAGEDGFGALGAMQIKVERYVESESDLRLQNCESLTSDSAKDSDSAGEAGAQASSKHQKRKKRRKRQKGGSASRRRLSSASSPGGLDAGLVEPPRLLSSPNSASVLKIKTEISEPINFDNDSSIWNYPPNREISRNESPYSMTKPPSSEHFPSPQGGGGGGGGGGGLHVAIPDSVLTPPGADGAAARKTQFGASATAALAPVASDPLSPPLSASPRDKHPGNGGGGGGGGGGAGGGGPSASNSLLYTGDLEALQRLQAGNVVLPLVHRVTGTLAATSTAAQRVYTTGTIRYAPAEVTLAMQSNLLPNAHAVNFVDVNSPGFGLDPKTPMEMLYHHVHRLNMSGPFGGAVSAASLTQMPAGNVFTTAEGLFSTLPFPVYSNGIHAAQTLERKED
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	42.8	Very low	158 Å²	158	149.1 Å²	149.1	78%	0.778	81%	0.81	S	S	*	*				0	122.6	0	-76.4	161.8	160.3	0	0	107.3	N901	M1-N901 HydrophobicContact SD-CB 4.47Å
2	A	41.4	Very low	42.3	Very low	90 Å²	90	148 Å²	148	74%	0.744	82%	0.816	S	S	*	*			trans	-134.5	138.4	176.3	0	0	0	0	0	108.4	T4	A2-T4 PolarHBondContact O-N 3.37Å
3	P	53.3	Low	42.4	Very low	132 Å²	132	143.5 Å²	143.5	86%	0.857	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.2	124.6	-179.3	28.3	-33.2	0	0	0	110.7
4	T	50.2	Low	42.1	Very low	136 Å²	136	148.6 Å²	148.6	83%	0.834	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.1	147.2	173.9	34.4	0	0	0	0	111.4	A2	A2-T4 PolarHBondContact O-N 3.37Å
5	K	42.9	Very low	41.7	Very low	200 Å²	200	154.9 Å²	154.9	87%	0.87	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-68.6	134.9	178	-67.2	175.6	178.3	174.1	0	110.8	S7	K5-S7 PolarHBondContact O-N 2.99Å
6	P	49.6	Very low	41.6	Very low	118 Å²	118	154.9 Å²	154.9	77%	0.766	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.9	119.1	159.6	29.8	-31.3	0	0	0	109.3	F8	P6-F8 PolarHBondContact O-N 3.06Å
7	S	38.3	Very low	41.2	Very low	117 Å²	117	159.4 Å²	159.4	82%	0.818	81%	0.809	S	S	*	*			trans	-78.9	101.6	176.5	50.6	0	0	0	0	110.8	K5 Q9	K5-S7 PolarHBondContact O-N 2.99Å; S7-Q9 PolarHBondContact O-N 2.87Å
8	F	38.6	Very low	41.1	Very low	195 Å²	195	159.7 Å²	159.7	86%	0.855	81%	0.811	S	S	*	*			trans	-80.4	111.1	172.6	-119.5	-82.9	0	0	0	110.7	P6 Q10	P6-F8 PolarHBondContact O-N 3.06Å; F8-Q10 PolarHBondContact O-N 2.93Å
9	Q	39.4	Very low	40.9	Very low	191 Å²	191	156.6 Å²	156.6	89%	0.893	80%	0.801	S	S	*	*			trans	-77.6	112.7	178.4	-169.1	166.1	-2.9	0	0	109.4	S7	S7-Q9 PolarHBondContact O-N 2.87Å
10	Q	38	Very low	40.6	Very low	181 Å²	181	153.5 Å²	153.5	85%	0.846	80%	0.8	S	S	*	*			trans	-88.6	124.5	178.5	-81.5	-169.6	-15.9	0	0	111.9	F8	F8-Q10 PolarHBondContact O-N 2.93Å
11	D	40	Very low	40.4	Very low	122 Å²	122	153.9 Å²	153.9	65%	0.652	80%	0.798	S	S	*	*			trans	-65.1	121.7	176.4	-178.1	-23.9	0	0	0	111.3	S13	D11-S13 PolarHBondContact O-N 3.23Å; D11-S13 VanDerWaalsContact O-N 3.14Å; D11-S13 WeakPolarHBondContact OD1-CB 3.46Å; D11-S13 PolarHBondContact OD1-N 3.48Å; D11-S13 VanDerWaalsContact OD1-N 3.09Å; D11-S13 PolarHBondContact OD1-OG 3.23Å; D11-S13 PolarHBondContact OD2-OG 3.19Å
12	P	36.3	Very low	40.2	Very low	136 Å²	136	154.7 Å²	154.7	88%	0.883	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	28.8	-175.5	35.7	-36.9	0	0	0	114.4
13	S	44.2	Very low	40.4	Very low	90 Å²	90	156 Å²	156	63%	0.629	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-22.5	-174.1	61	0	0	0	0	116.7	D11	D11-S13 PolarHBondContact O-N 3.23Å; D11-S13 VanDerWaalsContact O-N 3.14Å; D11-S13 WeakPolarHBondContact OD1-CB 3.46Å; D11-S13 PolarHBondContact OD1-N 3.48Å; D11-S13 VanDerWaalsContact OD1-N 3.09Å; D11-S13 PolarHBondContact OD1-OG 3.23Å; D11-S13 PolarHBondContact OD2-OG 3.19Å
14	R	38.3	Very low	39.7	Very low	215 Å²	215	157.5 Å²	157.5	81%	0.811	80%	0.8	S	S	*	*			trans	-114.3	77.1	-165.9	-150.4	173.3	-169.6	-171.5	3.5	115
15	R	35.4	Very low	39.5	Very low	242 Å²	242	155.4 Å²	155.4	91%	0.913	79%	0.789	S	S	*	*			trans	-115.1	48.6	-179.5	-149.2	173.6	-166.8	171.3	5	114.2	R17	R15-R17 VanDerWaalsContact C-N 3.33Å; R15-R17 PolarHBondContact O-N 2.84Å
16	E	40.4	Very low	39.4	Very low	155 Å²	155	151 Å²	151	72%	0.724	78%	0.775	S	S	*	*			trans	-72.6	81.5	176.5	-71.7	-172.4	107.6	0	0	113.1	I18	E16-I18 PolarHBondContact O-N 3.03Å
17	R	35	Very low	39.1	Very low	232 Å²	232	153.8 Å²	153.8	88%	0.875	78%	0.778	S	S	*	*				26.2	60.8	129.3	-158.5	-170.2	-66.9	-133.4	-0.7	118.1	R15	R15-R17 VanDerWaalsContact C-N 3.33Å; R15-R17 PolarHBondContact O-N 2.84Å
18	I	38.5	Very low	39.6	Very low	164 Å²	164	152 Å²	152	84%	0.841	77%	0.765	S	S	*	*			trans	-103.3	73.8	151.2	-53.2	-176.3	0	0	0	108.3	E16	E16-I18 PolarHBondContact O-N 3.03Å
19	T	37.1	Very low	40.1	Very low	101 Å²	101	149.4 Å²	149.4	62%	0.62	76%	0.756	S	S	*	*			trans	-111.8	92.3	167.9	-40	0	0	0	0	107.5	Q21	T19-Q21 HydrophobicContact CG2-CG 4.02Å; T19-Q21 PolarHBondContact O-N 3.23Å
20	A	35	Very low	40.1	Very low	95 Å²	95	142.8 Å²	142.8	79%	0.785	73%	0.73	S	S	*	*			trans	-73.1	59.3	176.5	0	0	0	0	0	111.5	H22	A20-H22 PolarHBondContact O-N 2.93Å; A20-H22 VanDerWaalsContact O-N 3.1Å
21	Q	37.4	Very low	40.4	Very low	162 Å²	162	144.4 Å²	144.4	76%	0.757	73%	0.728	S	S	*	*			trans	-67.1	104.7	163.2	-76.7	177.2	4.3	0	0	107.4	T19	T19-Q21 HydrophobicContact CG2-CG 4.02Å; T19-Q21 PolarHBondContact O-N 3.23Å
22	H	35.1	Very low	40.6	Very low	174 Å²	174	147.8 Å²	147.8	81%	0.806	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-52.2	124.4	161.3	-87.9	-88.8	0	0	0	107.9	A20 L24	A20-H22 PolarHBondContact O-N 2.93Å; A20-H22 VanDerWaalsContact O-N 3.1Å; H22-L24 PolarHBondContact O-N 2.94Å; H22-L24 VanDerWaalsContact O-N 3.11Å
23	P	45.9	Very low	41	Very low	117 Å²	117	148.4 Å²	148.4	76%	0.76	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-62.3	120.4	176.8	25	-32.5	0	0	0	108.4
24	L	37.6	Very low	41	Very low	165 Å²	165	151 Å²	151	86%	0.864	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-58.5	126.4	167.1	-72.1	170.7	0	0	0	107.2	H22 N26	H22-L24 PolarHBondContact O-N 2.94Å; H22-L24 VanDerWaalsContact O-N 3.11Å; L24-N26 PolarHBondContact O-N 3.16Å
25	P	45.9	Very low	41.4	Very low	91 Å²	91	152 Å²	152	59%	0.591	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-61.7	133.8	-174.4	25.7	-34.6	0	0	0	109.8	Q27	P25-Q27 PolarHBondContact O-N 3.24Å
26	N	40.2	Very low	41.8	Very low	108 Å²	108	150.2 Å²	150.2	58%	0.578	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-59.9	123.1	-169.7	-156.8	-4.8	0	0	0	109.9	L24 S28 E29	L24-N26 PolarHBondContact O-N 3.16Å; N26-S28 PolarHBondContact O-N 3.44Å; N26-E29 PolarHBondContact O-N 2.85Å
27	Q	45	Very low	42.1	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-11.6	-165.4	-103	-173.8	31.3	0	0	114.5	P25	P25-Q27 PolarHBondContact O-N 3.24Å
28	S	49	Very low	42.9	Very low	80 Å²	80	140.5 Å²	140.5	56%	0.559	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-30.9	174.2	46.8	0	0	0	0	114.3	N26	N26-S28 PolarHBondContact O-N 3.44Å
29	E	47.3	Very low	43.7	Very low	140 Å²	140	140.1 Å²	140.1	65%	0.654	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-32.4	-176.7	-70	-171.5	111.1	0	0	112.7	N26 R31 K32	N26-E29 PolarHBondContact O-N 2.85Å; E29-R31 PolarHBondContact O-N 3.43Å; E29-K32 PolarHBondContact O-N 3.14Å; E29-K32 VanDerWaalsContact O-N 3.14Å
30	C	40	Very low	44.4	Very low	52 Å²	52	143.5 Å²	143.5	35%	0.351	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.4	28.6	169.2	-77.8	0	0	0	0	114.5	Y34	C30-Y34 HydrophobicContact CB-CE2 4.02Å; C30-Y34 WeakPolarHBondContact O-CD2 3.21Å; C30-Y34 VanDerWaalsContact O-CE2 3.23Å; C30-Y34 WeakPolarHBondContact O-CE2 3.37Å
31	R	44.7	Very low	45.5	Very low	214 Å²	214	141.9 Å²	141.9	81%	0.808	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	-4.1	169.8	-75.4	-172.1	169.5	-175.9	-1.4	114.8	E29	E29-R31 PolarHBondContact O-N 3.43Å
32	K	43.5	Very low	46.5	Very low	194 Å²	194	140.1 Å²	140.1	84%	0.843	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-19	178.5	-72.7	-171.9	176.5	178.2	0	115.3	E29	E29-K32 PolarHBondContact O-N 3.14Å; E29-K32 VanDerWaalsContact O-N 3.14Å
33	I	45.8	Very low	48	Very low	148 Å²	148	134.1 Å²	134.1	76%	0.759	66%	0.664	S	S	*	*	S	Bend	trans	-89.7	-26.6	179.5	-59.9	175.7	0	0	0	112	R35	I33-R35 VanDerWaalsContact C-N 3.29Å; I33-R35 PolarHBondContact O-N 2.94Å
34	Y	44.6	Very low	49.4	Very low	145 Å²	145	131.9 Å²	131.9	57%	0.569	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	61.8	-176.3	-63	-89.7	0	0	0	114.1	C30	C30-Y34 HydrophobicContact CB-CE2 4.02Å; C30-Y34 WeakPolarHBondContact O-CD2 3.21Å; C30-Y34 VanDerWaalsContact O-CE2 3.23Å; C30-Y34 WeakPolarHBondContact O-CE2 3.37Å
35	R	46.3	Very low	51.2	Low	235 Å²	235	130.8 Å²	130.8	89%	0.887	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.2	-7.9	170	-87.9	-161.1	178.5	-173.9	0.9	116.5	I33	I33-R35 VanDerWaalsContact C-N 3.29Å; I33-R35 PolarHBondContact O-N 2.94Å
36	Y	43.2	Very low	52.7	Low	206 Å²	206	131.4 Å²	131.4	81%	0.808	63%	0.629	S	S	*	*	S	Bend	trans	-110.2	163.4	158.3	-82.8	-110.3	0	0	0	108.2	G38	Y36-G38 PolarHBondContact O-N 3.06Å
37	D	48	Very low	54.7	Low	121 Å²	121	131.5 Å²	131.5	65%	0.647	63%	0.629	S	S	*	*			trans	62.8	35	170.6	-54.4	-22.3	0	0	0	117.6	I39 Y40 C41	D37-I39 PolarHBondContact O-N 3.23Å; D37-I39 VanDerWaalsContact O-N 3.14Å; D37-Y40 PolarHBondContact O-N 2.76Å; D37-C41 PolarHBondContact O-N 2.9Å; D37-C41 VanDerWaalsContact O-N 3.12Å
38	G	51.4	Low	56.6	Low	61 Å²	61	126.8 Å²	126.8	63%	0.629	61%	0.609	S	S	*	*	H	α-helix	trans	-54.6	-31.7	176.3	0	0	0	0	0	115.1	Y36	Y36-G38 PolarHBondContact O-N 3.06Å
39	I	55.5	Low	58.2	Low	156 Å²	156	126.4 Å²	126.4	80%	0.8	60%	0.599	S	S	*	*	H	α-helix	trans	-74.8	-36.2	177.3	-60	174.7	0	0	0	111.4	D37 S43	D37-I39 PolarHBondContact O-N 3.23Å; D37-I39 VanDerWaalsContact O-N 3.14Å; I39-S43 PolarHBondContact O-N 3.37Å
40	Y	51.8	Low	60	Low	173 Å²	173	122.2 Å²	122.2	68%	0.678	59%	0.588	S	S	*	*	H	α-helix	trans	-73	-29.7	179.6	-114.9	-92.3	0	0	0	112.5	D37 S43 T44	D37-Y40 PolarHBondContact O-N 2.76Å; Y40-S43 PolarHBondContact O-OG 2.74Å; Y40-S43 VanDerWaalsContact O-OG 3.12Å; Y40-T44 VanDerWaalsContact O-CB 3.3Å; Y40-T44 WeakPolarHBondContact O-CB 3.3Å; Y40-T44 PolarHBondContact O-N 2.88Å; Y40-T44 VanDerWaalsContact O-N 3.13Å; Y40-T44 PolarHBondContact O-OG1 3.44Å
41	C	57.9	Low	62.3	Low	61 Å²	61	124.5 Å²	124.5	41%	0.412	60%	0.596	S	S	.	*	H	α-helix	trans	-66.5	-38.4	176.6	-171.2	0	0	0	0	112.4	D37 Y45	D37-C41 PolarHBondContact O-N 2.9Å; D37-C41 VanDerWaalsContact O-N 3.12Å; C41-Y45 WeakPolarHBondContact O-CB 3.46Å; C41-Y45 PolarHBondContact O-N 2.82Å
42	E	58.9	Low	64.3	Low	125 Å²	125	121.1 Å²	121.1	58%	0.584	58%	0.583	S	S	*	*	H	α-helix	trans	-73.5	-45.3	-178.9	-174.9	164.5	-170.8	0	0	111.9	T44 Y45 Q46	E42-T44 VanDerWaalsContact C-N 3.3Å; E42-T44 PolarHBondContact O-N 2.93Å; E42-Y45 PolarHBondContact O-N 3.15Å; E42-Y45 VanDerWaalsContact O-N 3.14Å; E42-Q46 HydrophobicContact CG-CG 4.4Å; E42-Q46 WeakPolarHBondContact O-CG 3.14Å; E42-Q46 PolarHBondContact O-N 2.94Å; E42-Q46 PolarHBondContact OE1-NE2 3.42Å
43	S	66.8	Low	66.6	Low	48 Å²	48	118.6 Å²	118.6	34%	0.336	57%	0.572	S	S	.	*	H	α-helix	trans	-59.7	-40.9	175	62.4	0	0	0	0	111.8	I39 Y40 Y45 Q46 N47	I39-S43 PolarHBondContact O-N 3.37Å; Y40-S43 PolarHBondContact O-OG 2.74Å; Y40-S43 VanDerWaalsContact O-OG 3.12Å; S43-Y45 PolarHBondContact O-N 3.41Å; S43-Q46 PolarHBondContact O-N 2.67Å; S43-N47 WeakPolarHBondContact O-CB 3.5Å; S43-N47 VanDerWaalsContact O-CG 3.25Å; S43-N47 PolarHBondContact O-N 3.01Å; S43-N47 PolarHBondContact O-ND2 3.06Å
44	T	74	Confident	68.7	Low	69 Å²	69	114.3 Å²	114.3	42%	0.423	55%	0.549	S	S	.	.	H	α-helix	trans	-62.8	-40.8	174.9	-58	0	0	0	0	112.1	Y40 E42 N47 L48	Y40-T44 VanDerWaalsContact O-CB 3.3Å; Y40-T44 WeakPolarHBondContact O-CB 3.3Å; Y40-T44 PolarHBondContact O-N 2.88Å; Y40-T44 VanDerWaalsContact O-N 3.13Å; Y40-T44 PolarHBondContact O-OG1 3.44Å; E42-T44 VanDerWaalsContact C-N 3.3Å; E42-T44 PolarHBondContact O-N 2.93Å; T44-N47 PolarHBondContact O-N 2.97Å; T44-L48 HydrophobicContact CG2-CD1 4.35Å; T44-L48 PolarHBondContact O-N 3.11Å
45	Y	76.6	Confident	70.9	Confident	142 Å²	142	114.2 Å²	114.2	56%	0.557	55%	0.551	S	S	*	*	H	α-helix	trans	-69.8	-38	177.2	-171.4	-105.8	0	0	0	112.8	C41 E42 S43 L48 Q49	C41-Y45 WeakPolarHBondContact O-CB 3.46Å; C41-Y45 PolarHBondContact O-N 2.82Å; E42-Y45 PolarHBondContact O-N 3.15Å; E42-Y45 VanDerWaalsContact O-N 3.14Å; S43-Y45 PolarHBondContact O-N 3.41Å; Y45-L48 PolarHBondContact O-N 3.27Å; Y45-Q49 HydrophobicContact CE1-CG 4.29Å; Y45-Q49 PolarHBondContact O-N 2.95Å
46	Q	77.4	Confident	73.2	Confident	105 Å²	105	106.8 Å²	106.8	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-42.8	172.9	-68.7	-177.4	18	0	0	111.2	E42 S43 L48 Q49 A50	E42-Q46 HydrophobicContact CG-CG 4.4Å; E42-Q46 WeakPolarHBondContact O-CG 3.14Å; E42-Q46 PolarHBondContact O-N 2.94Å; E42-Q46 PolarHBondContact OE1-NE2 3.42Å; S43-Q46 PolarHBondContact O-N 2.67Å; Q46-L48 PolarHBondContact O-N 3.2Å; Q46-Q49 WeakPolarHBondContact O-CB 3.47Å; Q46-Q49 PolarHBondContact O-N 3.49Å; Q46-Q49 VanDerWaalsContact O-N 3.16Å; Q46-A50 PolarHBondContact O-N 2.84Å
47	N	81.1	Confident	75.6	Confident	109 Å²	109	103.1 Å²	103.1	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-62.4	-41.2	174.1	-74.1	-22.2	0	0	0	112.4	S43 T44 Q49 A50 L51	S43-N47 WeakPolarHBondContact O-CB 3.5Å; S43-N47 VanDerWaalsContact O-CG 3.25Å; S43-N47 PolarHBondContact O-N 3.01Å; S43-N47 PolarHBondContact O-ND2 3.06Å; T44-N47 PolarHBondContact O-N 2.97Å; N47-Q49 VanDerWaalsContact C-N 3.34Å; N47-Q49 PolarHBondContact O-N 2.78Å; N47-A50 PolarHBondContact O-N 3.11Å; N47-L51 WeakPolarHBondContact O-CB 3.1Å; N47-L51 PolarHBondContact O-N 2.8Å
48	L	84.2	Confident	77.9	Confident	79 Å²	79	100.8 Å²	100.8	41%	0.414	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-36.2	172.7	-104.8	71.2	0	0	0	112.7	T44 Y45 Q46 R52	T44-L48 HydrophobicContact CG2-CD1 4.35Å; T44-L48 PolarHBondContact O-N 3.11Å; Y45-L48 PolarHBondContact O-N 3.27Å; Q46-L48 PolarHBondContact O-N 3.2Å; L48-R52 WeakPolarHBondContact O-CB 3.38Å; L48-R52 VanDerWaalsContact O-CG 3.24Å; L48-R52 WeakPolarHBondContact O-CG 3.31Å; L48-R52 PolarHBondContact O-N 2.78Å; L48-R52 VanDerWaalsContact O-N 3.08Å
49	Q	83.2	Confident	80	Confident	72 Å²	72	100.6 Å²	100.6	34%	0.336	50%	0.5	S	S	.	.	H	α-helix	trans	-67.3	-42.1	172.4	-78.4	-169.6	65	0	0	112.2	Y45 Q46 N47 R52 K53	Y45-Q49 HydrophobicContact CE1-CG 4.29Å; Y45-Q49 PolarHBondContact O-N 2.95Å; Q46-Q49 WeakPolarHBondContact O-CB 3.47Å; Q46-Q49 PolarHBondContact O-N 3.49Å; Q46-Q49 VanDerWaalsContact O-N 3.16Å; N47-Q49 VanDerWaalsContact C-N 3.34Å; N47-Q49 PolarHBondContact O-N 2.78Å; Q49-R52 PolarHBondContact O-N 3.34Å; Q49-K53 WeakPolarHBondContact O-CB 3.41Å; Q49-K53 WeakPolarHBondContact O-CG 3.48Å; Q49-K53 PolarHBondContact O-N 3.07Å
50	A	86.2	Confident	82	Confident	52 Å²	52	93.9 Å²	93.9	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-48.6	175.8	0	0	0	0	0	110.6	Q46 N47 R52 K53 E54	Q46-A50 PolarHBondContact O-N 2.84Å; N47-A50 PolarHBondContact O-N 3.11Å; A50-R52 VanDerWaalsContact C-N 3.34Å; A50-R52 PolarHBondContact O-N 3Å; A50-K53 CarbonylContact O-C 3.42Å; A50-K53 WeakPolarHBondContact O-CB 3.39Å; A50-K53 PolarHBondContact O-N 2.72Å; A50-K53 VanDerWaalsContact O-N 3.13Å; A50-E54 PolarHBondContact O-N 2.81Å
51	L	87.2	Confident	84.1	Confident	99 Å²	99	91.4 Å²	91.4	52%	0.518	46%	0.457	S	S	.	.	H	α-helix	trans	-63.2	-35.5	177.9	-173.5	63.2	0	0	0	113.2	N47 E54 K55	N47-L51 WeakPolarHBondContact O-CB 3.1Å; N47-L51 PolarHBondContact O-N 2.8Å; L51-E54 PolarHBondContact O-N 3.43Å; L51-K55 WeakPolarHBondContact O-CG 3.28Å; L51-K55 PolarHBondContact O-N 3.41Å
52	R	87.3	Confident	86	Confident	144 Å²	144	91.8 Å²	91.8	54%	0.543	46%	0.461	S	S	.	.	H	α-helix	trans	-66.5	-43.4	172	-74.2	169.3	-175.6	140.8	-0.8	111.8	L48 Q49 A50 E54 S56	L48-R52 WeakPolarHBondContact O-CB 3.38Å; L48-R52 VanDerWaalsContact O-CG 3.24Å; L48-R52 WeakPolarHBondContact O-CG 3.31Å; L48-R52 PolarHBondContact O-N 2.78Å; L48-R52 VanDerWaalsContact O-N 3.08Å; Q49-R52 PolarHBondContact O-N 3.34Å; A50-R52 VanDerWaalsContact C-N 3.34Å; A50-R52 PolarHBondContact O-N 3Å; R52-E54 VanDerWaalsContact C-N 3.31Å; R52-S56 WeakPolarHBondContact O-CB 3.48Å; R52-S56 PolarHBondContact O-N 3.21Å
53	K	90.5	Very high	87.9	Confident	141 Å²	141	92.9 Å²	92.9	61%	0.613	46%	0.46	S	S	*	.	H	α-helix	trans	-63.5	-37.6	174.9	-73.1	171	-178.6	174.6	0	111.1	Q49 A50 S56 R57	Q49-K53 WeakPolarHBondContact O-CB 3.41Å; Q49-K53 WeakPolarHBondContact O-CG 3.48Å; Q49-K53 PolarHBondContact O-N 3.07Å; A50-K53 CarbonylContact O-C 3.42Å; A50-K53 WeakPolarHBondContact O-CB 3.39Å; A50-K53 PolarHBondContact O-N 2.72Å; A50-K53 VanDerWaalsContact O-N 3.13Å; K53-S56 PolarHBondContact O-N 2.73Å; K53-R57 VanDerWaalsContact O-CB 3.32Å; K53-R57 WeakPolarHBondContact O-CB 3.5Å; K53-R57 PolarHBondContact O-N 3.38Å
54	E	90	Very high	89.3	Confident	58 Å²	58	96.8 Å²	96.8	27%	0.271	47%	0.467	S	S	.	.	H	α-helix	trans	-67.1	-51.1	177.1	-162.1	59.3	-139.8	0	0	111.7	A50 L51 R52 S56 R57 D58 R61	A50-E54 PolarHBondContact O-N 2.81Å; L51-E54 PolarHBondContact O-N 3.43Å; R52-E54 VanDerWaalsContact C-N 3.31Å; E54-S56 PolarHBondContact O-N 2.76Å; E54-R57 VanDerWaalsContact CD-NE 3.31Å; E54-R57 CarbonylContact O-C 3.51Å; E54-R57 WeakPolarHBondContact O-CA 3.46Å; E54-R57 VanDerWaalsContact O-CB 3.31Å; E54-R57 WeakPolarHBondContact O-CB 3.41Å; E54-R57 PolarHBondContact O-N 2.95Å; E54-R57 IonicContact OE1-CZ 3.93Å; E54-R57 IonicContact OE1-NE 2.73Å; E54-R57 PolarHBondContact OE1-NE 3.1Å; E54-R57 IonicContact OE1-NH2 2.67Å; E54-R57 PolarHBondContact OE1-NH2 3.42Å; E54-R57 IonicContact OE2-CZ 2.66Å; E54-R57 IonicContact OE2-NE 2.62Å; E54-R57 PolarHBondContact OE2-NE 3.05Å; E54-R57 VanDerWaalsContact OE2-NE 3.08Å; E54-R57 IonicContact OE2-NH2 3.16Å; E54-R57 PolarHBondContact OE2-NH2 2.97Å; E54-D58 PolarHBondContact O-N 3.28Å; E54-R61 IonicContact OE1-NH1 2.71Å; E54-R61 PolarHBondContact OE1-NH1 3.07Å; E54-R61 VanDerWaalsContact OE1-NH1 3.16Å
55	K	92.5	Very high	90.4	Very high	142 Å²	142	95.5 Å²	95.5	62%	0.617	47%	0.467	S	S	*	.	H	α-helix	trans	-56.6	-36.1	174.3	-71.4	-177	178.9	-169.4	0	112.2	L51 A59	L51-K55 WeakPolarHBondContact O-CG 3.28Å; L51-K55 PolarHBondContact O-N 3.41Å; K55-A59 VanDerWaalsContact O-CB 3.23Å; K55-A59 WeakPolarHBondContact O-CB 3.44Å; K55-A59 PolarHBondContact O-N 2.89Å
56	S	93.8	Very high	91.4	Very high	79 Å²	79	95.5 Å²	95.5	55%	0.552	47%	0.47	S	S	*	.	H	α-helix	trans	-69.7	-36.6	172.4	-171.1	0	0	0	0	113.1	R52 K53 E54 A60	R52-S56 WeakPolarHBondContact O-CB 3.48Å; R52-S56 PolarHBondContact O-N 3.21Å; K53-S56 PolarHBondContact O-N 2.73Å; E54-S56 PolarHBondContact O-N 2.76Å; S56-A60 VanDerWaalsContact O-CB 3.23Å; S56-A60 WeakPolarHBondContact O-CB 3.41Å; S56-A60 PolarHBondContact O-N 2.79Å
57	R	94.4	Very high	92.4	Very high	130 Å²	130	94.2 Å²	94.2	49%	0.491	46%	0.464	S	S	.	.	H	α-helix	trans	-65.6	-45.3	176.8	-174	165.6	76.3	164.1	5.8	110.6	K53 E54 A60 R61	K53-R57 VanDerWaalsContact O-CB 3.32Å; K53-R57 WeakPolarHBondContact O-CB 3.5Å; K53-R57 PolarHBondContact O-N 3.38Å; E54-R57 VanDerWaalsContact CD-NE 3.31Å; E54-R57 CarbonylContact O-C 3.51Å; E54-R57 WeakPolarHBondContact O-CA 3.46Å; E54-R57 VanDerWaalsContact O-CB 3.31Å; E54-R57 WeakPolarHBondContact O-CB 3.41Å; E54-R57 PolarHBondContact O-N 2.95Å; E54-R57 IonicContact OE1-CZ 3.93Å; E54-R57 IonicContact OE1-NE 2.73Å; E54-R57 PolarHBondContact OE1-NE 3.1Å; E54-R57 IonicContact OE1-NH2 2.67Å; E54-R57 PolarHBondContact OE1-NH2 3.42Å; E54-R57 IonicContact OE2-CZ 2.66Å; E54-R57 IonicContact OE2-NE 2.62Å; E54-R57 PolarHBondContact OE2-NE 3.05Å; E54-R57 VanDerWaalsContact OE2-NE 3.08Å; E54-R57 IonicContact OE2-NH2 3.16Å; E54-R57 PolarHBondContact OE2-NH2 2.97Å; R57-A60 CarbonylContact O-C 3.56Å; R57-A60 PolarHBondContact O-N 3.27Å; R57-R61 WeakPolarHBondContact O-CG 3.37Å; R57-R61 PolarHBondContact O-N 2.91Å
58	D	95.2	Very high	93.1	Very high	72 Å²	72	92 Å²	92	39%	0.385	45%	0.453	S	S	.	.	H	α-helix	trans	-72.3	-41.3	178.6	-69.2	-32.4	0	0	0	113	E54 A60 R61 S62	E54-D58 PolarHBondContact O-N 3.28Å; D58-A60 PolarHBondContact O-N 2.82Å; D58-R61 PolarHBondContact O-N 2.9Å; D58-R61 VanDerWaalsContact O-N 3.15Å; D58-R61 WeakPolarHBondContact OD1-CD 3.41Å; D58-R61 IonicContact OD1-CZ 2.75Å; D58-R61 IonicContact OD1-NE 3.76Å; D58-R61 IonicContact OD1-NH1 3.79Å; D58-R61 PolarHBondContact OD1-NH1 2.9Å; D58-S62 WeakPolarHBondContact O-CB 3.27Å; D58-S62 PolarHBondContact O-N 2.99Å
59	A	96.1	Very high	93.7	Very high	56 Å²	56	93.9 Å²	93.9	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-59.6	-35	170.3	0	0	0	0	0	111.9	K55 R63	K55-A59 VanDerWaalsContact O-CB 3.23Å; K55-A59 WeakPolarHBondContact O-CB 3.44Å; K55-A59 PolarHBondContact O-N 2.89Å; A59-R63 VanDerWaalsContact O-CB 3.32Å; A59-R63 WeakPolarHBondContact O-CB 3.47Å; A59-R63 PolarHBondContact O-N 3.13Å
60	A	96.5	Very high	94.4	Very high	15 Å²	15	96 Å²	96	12%	0.124	47%	0.467	C	S	.	.	H	α-helix	trans	-76.4	-31.2	174.2	0	0	0	0	0	113.7	S56 R57 D58 R64	S56-A60 VanDerWaalsContact O-CB 3.23Å; S56-A60 WeakPolarHBondContact O-CB 3.41Å; S56-A60 PolarHBondContact O-N 2.79Å; R57-A60 CarbonylContact O-C 3.56Å; R57-A60 PolarHBondContact O-N 3.27Å; D58-A60 PolarHBondContact O-N 2.82Å; A60-R64 VanDerWaalsContact C-NH1 3.28Å; A60-R64 WeakPolarHBondContact O-CG 3.4Å; A60-R64 PolarHBondContact O-N 3.28Å; A60-R64 PolarHBondContact O-NH1 3.13Å
61	R	97.1	Very high	95	Very high	121 Å²	121	95.3 Å²	95.3	46%	0.457	46%	0.455	S	S	.	.	H	α-helix	trans	-65.1	-53.5	169.5	-75.3	167.6	173.2	145.6	-7.9	109.9	E54 R57 D58 R63 R64 G65	E54-R61 IonicContact OE1-NH1 2.71Å; E54-R61 PolarHBondContact OE1-NH1 3.07Å; E54-R61 VanDerWaalsContact OE1-NH1 3.16Å; R57-R61 WeakPolarHBondContact O-CG 3.37Å; R57-R61 PolarHBondContact O-N 2.91Å; D58-R61 PolarHBondContact O-N 2.9Å; D58-R61 VanDerWaalsContact O-N 3.15Å; D58-R61 WeakPolarHBondContact OD1-CD 3.41Å; D58-R61 IonicContact OD1-CZ 2.75Å; D58-R61 IonicContact OD1-NE 3.76Å; D58-R61 IonicContact OD1-NH1 3.79Å; D58-R61 PolarHBondContact OD1-NH1 2.9Å; R61-R63 PolarHBondContact O-N 3.01Å; R61-R64 PolarHBondContact O-N 3.49Å; R61-R64 VanDerWaalsContact O-N 3.15Å; R61-G65 PolarHBondContact O-N 2.62Å
62	S	97.5	Very high	95.4	Very high	70 Å²	70	97.6 Å²	97.6	49%	0.49	46%	0.457	S	S	.	.	H	α-helix	trans	-57.3	-45.3	179.7	-177.3	0	0	0	0	112.2	D58 R64 G65 K66	D58-S62 WeakPolarHBondContact O-CB 3.27Å; D58-S62 PolarHBondContact O-N 2.99Å; S62-R64 PolarHBondContact O-N 3.47Å; S62-G65 PolarHBondContact O-N 3.28Å; S62-K66 PolarHBondContact O-N 3.12Å
63	R	97.9	Very high	95.9	Very high	148 Å²	148	93.7 Å²	93.7	56%	0.558	45%	0.445	S	S	*	.	H	α-helix	trans	-59.6	-46.8	175.1	-174	177.2	66	-102.3	3.3	112.3	A59 R61 G65 K66 E67	A59-R63 VanDerWaalsContact O-CB 3.32Å; A59-R63 WeakPolarHBondContact O-CB 3.47Å; A59-R63 PolarHBondContact O-N 3.13Å; R61-R63 PolarHBondContact O-N 3.01Å; R63-G65 VanDerWaalsContact C-N 3.3Å; R63-G65 PolarHBondContact O-N 3.36Å; R63-K66 PolarHBondContact O-N 2.99Å; R63-E67 VanDerWaalsContact O-CB 3.24Å; R63-E67 WeakPolarHBondContact O-CB 3.39Å; R63-E67 PolarHBondContact O-N 3.26Å
64	R	97.3	Very high	96.2	Very high	130 Å²	130	89.7 Å²	89.7	49%	0.491	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-33.6	176.1	-71.3	-177.4	-160.8	100.1	-15.7	112.5	A60 R61 S62 N68	A60-R64 VanDerWaalsContact C-NH1 3.28Å; A60-R64 WeakPolarHBondContact O-CG 3.4Å; A60-R64 PolarHBondContact O-N 3.28Å; A60-R64 PolarHBondContact O-NH1 3.13Å; R61-R64 PolarHBondContact O-N 3.49Å; R61-R64 VanDerWaalsContact O-N 3.15Å; S62-R64 PolarHBondContact O-N 3.47Å; R64-N68 WeakPolarHBondContact O-CB 3.31Å; R64-N68 PolarHBondContact O-N 3.05Å; R64-N68 PolarHBondContact O-OD1 3.29Å
65	G	97.1	Very high	96.6	Very high	42 Å²	42	87.1 Å²	87.1	43%	0.433	42%	0.419	S	S	.	.	H	α-helix	trans	-63.3	-47.8	174.9	0	0	0	0	0	112.1	R61 S62 R63 N68 F69	R61-G65 PolarHBondContact O-N 2.62Å; S62-G65 PolarHBondContact O-N 3.28Å; R63-G65 VanDerWaalsContact C-N 3.3Å; R63-G65 PolarHBondContact O-N 3.36Å; G65-N68 PolarHBondContact O-N 2.99Å; G65-F69 PolarHBondContact O-N 2.82Å
66	K	97.6	Very high	96.8	Very high	142 Å²	142	86.6 Å²	86.6	62%	0.617	42%	0.417	S	S	*	.	H	α-helix	trans	-63.3	-48.5	173.7	-65.6	-169.5	178	-163.1	0	111.8	S62 R63 N68 F69 E70	S62-K66 PolarHBondContact O-N 3.12Å; R63-K66 PolarHBondContact O-N 2.99Å; K66-N68 VanDerWaalsContact C-N 3.3Å; K66-N68 PolarHBondContact O-N 3.39Å; K66-F69 WeakPolarHBondContact O-CA 3.44Å; K66-F69 WeakPolarHBondContact O-CB 3.42Å; K66-F69 PolarHBondContact O-N 2.95Å; K66-E70 WeakPolarHBondContact O-CG 3.33Å; K66-E70 PolarHBondContact O-N 2.9Å
67	E	97.2	Very high	96.9	Very high	77 Å²	77	89.4 Å²	89.4	36%	0.36	43%	0.425	S	S	.	.	H	α-helix	trans	-52	-46.8	175	-175.6	-156.5	127.9	0	0	111.8	R63 F69 E70 F71 K90	R63-E67 VanDerWaalsContact O-CB 3.24Å; R63-E67 WeakPolarHBondContact O-CB 3.39Å; R63-E67 PolarHBondContact O-N 3.26Å; E67-F69 PolarHBondContact O-N 3.04Å; E67-E70 PolarHBondContact O-N 2.85Å; E67-F71 HydrophobicContact CG-CD2 4.11Å; E67-F71 HydrophobicContact CG-CE2 3.81Å; E67-F71 WeakPolarHBondContact O-CD2 3.3Å; E67-F71 PolarHBondContact O-N 3.36Å; E67-F71 VanDerWaalsContact O-N 3.08Å; E67-K90 IonicContact OE1-NZ 2.78Å; E67-K90 PolarHBondContact OE1-NZ 3.27Å
68	N	96.9	Very high	97.1	Very high	64 Å²	64	83.8 Å²	83.8	34%	0.342	41%	0.405	S	S	.	.	H	α-helix	trans	-61.6	-40.5	174.9	-72.9	1	0	0	0	112.6	R64 G65 K66 F71 Y72 K90	R64-N68 WeakPolarHBondContact O-CB 3.31Å; R64-N68 PolarHBondContact O-N 3.05Å; R64-N68 PolarHBondContact O-OD1 3.29Å; G65-N68 PolarHBondContact O-N 2.99Å; K66-N68 VanDerWaalsContact C-N 3.3Å; K66-N68 PolarHBondContact O-N 3.39Å; N68-F71 WeakPolarHBondContact O-CB 3.44Å; N68-F71 PolarHBondContact O-N 3.4Å; N68-Y72 WeakPolarHBondContact O-CD2 3.41Å; N68-Y72 PolarHBondContact O-N 2.86Å; N68-K90 VanDerWaalsContact OD1-CE 3.25Å; N68-K90 WeakPolarHBondContact OD1-CE 3.46Å; N68-K90 PolarHBondContact OD1-NZ 2.9Å
69	F	97.3	Very high	97.1	Very high	117 Å²	117	83.7 Å²	83.7	51%	0.513	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-48.1	176.7	176.7	-96.2	0	0	0	111.4	G65 K66 E67 F71 Y72 E73	G65-F69 PolarHBondContact O-N 2.82Å; K66-F69 WeakPolarHBondContact O-CA 3.44Å; K66-F69 WeakPolarHBondContact O-CB 3.42Å; K66-F69 PolarHBondContact O-N 2.95Å; E67-F69 PolarHBondContact O-N 3.04Å; F69-F71 PolarHBondContact O-N 3.2Å; F69-Y72 PolarHBondContact O-N 3.48Å; F69-E73 HydrophobicContact CD1-CG 4.3Å; F69-E73 HydrophobicContact CE1-CG 3.79Å; F69-E73 HydrophobicContact CE2-CG 4.09Å; F69-E73 HydrophobicContact CZ-CG 3.67Å; F69-E73 PolarHBondContact O-N 3.35Å
70	E	97.9	Very high	97.1	Very high	117 Å²	117	82.4 Å²	82.4	55%	0.547	39%	0.393	S	S	.	.	H	α-helix	trans	-58.8	-36.7	175.2	-51.6	-49.6	143.7	0	0	111.9	K66 E67 L74	K66-E70 WeakPolarHBondContact O-CG 3.33Å; K66-E70 PolarHBondContact O-N 2.9Å; E67-E70 PolarHBondContact O-N 2.85Å; E70-L74 WeakPolarHBondContact O-CB 3.45Å; E70-L74 PolarHBondContact O-N 3.31Å
71	F	97.5	Very high	97	Very high	37 Å²	37	84.7 Å²	84.7	16%	0.162	41%	0.407	C	S	.	.	H	α-helix	trans	-64.2	-41.2	173.8	-85.1	-66.3	0	0	0	113	E67 N68 F69 A75 K90 I93 I94	E67-F71 HydrophobicContact CG-CD2 4.11Å; E67-F71 HydrophobicContact CG-CE2 3.81Å; E67-F71 WeakPolarHBondContact O-CD2 3.3Å; E67-F71 PolarHBondContact O-N 3.36Å; E67-F71 VanDerWaalsContact O-N 3.08Å; N68-F71 WeakPolarHBondContact O-CB 3.44Å; N68-F71 PolarHBondContact O-N 3.4Å; F69-F71 PolarHBondContact O-N 3.2Å; F71-A75 WeakPolarHBondContact O-CB 3.21Å; F71-A75 PolarHBondContact O-N 2.86Å; F71-K90 HydrophobicContact CD1-CB 4.21Å; F71-K90 HydrophobicContact CD1-CG 4.01Å; F71-K90 HydrophobicContact CD2-CD 3.67Å; F71-K90 HydrophobicContact CD2-CG 3.9Å; F71-K90 HydrophobicContact CE1-CB 3.92Å; F71-K90 HydrophobicContact CE1-CD 4.45Å; F71-K90 HydrophobicContact CE1-CG 4.09Å; F71-K90 HydrophobicContact CE2-CB 4.43Å; F71-K90 HydrophobicContact CE2-CD 3.52Å; F71-K90 HydrophobicContact CE2-CG 3.99Å; F71-K90 HydrophobicContact CG-CD 4.23Å; F71-K90 HydrophobicContact CG-CG 3.92Å; F71-K90 HydrophobicContact CZ-CB 4.04Å; F71-K90 HydrophobicContact CZ-CD 3.96Å; F71-K90 HydrophobicContact CZ-CG 4.09Å; F71-I93 HydrophobicContact CB-CD1 4.47Å; F71-I93 HydrophobicContact CD1-CB 4.4Å; F71-I93 HydrophobicContact CD1-CD1 4.36Å; F71-I93 HydrophobicContact CD1-CG2 4.22Å; F71-I94 HydrophobicContact CE1-CD1 3.88Å; F71-I94 HydrophobicContact CE1-CG1 3.8Å; F71-I94 HydrophobicContact CZ-CD1 4.03Å; F71-I94 HydrophobicContact CZ-CG1 4.43Å
72	Y	95.7	Very high	96.9	Very high	147 Å²	147	82.5 Å²	82.5	58%	0.576	41%	0.414	S	S	*	.	H	α-helix	trans	-69.4	-41.2	177.6	-78.8	-64.4	0	0	0	112.3	N68 F69 A75 K76	N68-Y72 WeakPolarHBondContact O-CD2 3.41Å; N68-Y72 PolarHBondContact O-N 2.86Å; F69-Y72 PolarHBondContact O-N 3.48Å; Y72-A75 PolarHBondContact O-N 2.82Å; Y72-K76 WeakPolarHBondContact O-CG 3.44Å; Y72-K76 PolarHBondContact O-N 2.82Å; Y72-K76 VanDerWaalsContact O-N 3.11Å
73	E	97.3	Very high	96.8	Very high	62 Å²	62	82.4 Å²	82.4	29%	0.29	42%	0.418	S	S	.	.	H	α-helix	trans	-66.2	-41.1	174.5	-61.1	-45.4	116.2	0	0	111.4	F69 A75 K76 L77	F69-E73 HydrophobicContact CD1-CG 4.3Å; F69-E73 HydrophobicContact CE1-CG 3.79Å; F69-E73 HydrophobicContact CE2-CG 4.09Å; F69-E73 HydrophobicContact CZ-CG 3.67Å; F69-E73 PolarHBondContact O-N 3.35Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 2.87Å; E73-K76 VanDerWaalsContact CD-NZ 3.25Å; E73-K76 PolarHBondContact O-N 3.06Å; E73-K76 WeakPolarHBondContact OE1-CE 3.17Å; E73-K76 IonicContact OE1-NZ 2.82Å; E73-K76 PolarHBondContact OE1-NZ 2.83Å; E73-K76 IonicContact OE2-NZ 3.75Å; E73-K76 PolarHBondContact OE2-NZ 3.08Å; E73-L77 WeakPolarHBondContact O-CG 3.42Å; E73-L77 PolarHBondContact O-N 3.46Å
74	L	97.7	Very high	96.7	Very high	58 Å²	58	78.8 Å²	78.8	30%	0.304	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-37.1	174.7	-176.4	58.8	0	0	0	112.4	E70 L77 I93 T97	E70-L74 WeakPolarHBondContact O-CB 3.45Å; E70-L74 PolarHBondContact O-N 3.31Å; L74-L77 PolarHBondContact O-N 3.17Å; L74-I93 HydrophobicContact CB-CG2 4.21Å; L74-I93 HydrophobicContact CD2-CG2 3.89Å; L74-I93 HydrophobicContact CG-CG2 3.86Å; L74-T97 HydrophobicContact CD1-CG2 3.95Å; L74-T97 HydrophobicContact CD2-CG2 4.42Å
75	A	97.7	Very high	96.6	Very high	3 Å²	3	73.1 Å²	73.1	3%	0.025	39%	0.388	C	S	.	.	H	α-helix	trans	-64.7	-40.5	175.5	0	0	0	0	0	112.4	F71 Y72 E73 L77 L78 T85 I93	F71-A75 WeakPolarHBondContact O-CB 3.21Å; F71-A75 PolarHBondContact O-N 2.86Å; Y72-A75 PolarHBondContact O-N 2.82Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 2.87Å; A75-L77 PolarHBondContact O-N 2.83Å; A75-L78 WeakPolarHBondContact O-CB 3.48Å; A75-L78 PolarHBondContact O-N 2.95Å; A75-T85 VanDerWaalsContact O-CB 3.3Å; A75-T85 WeakPolarHBondContact O-CB 3.4Å; A75-T85 VanDerWaalsContact O-CG2 3.3Å; A75-T85 WeakPolarHBondContact O-CG2 3.25Å; A75-I93 HydrophobicContact CB-CD1 3.89Å; A75-I93 HydrophobicContact CB-CG1 4.02Å; A75-I93 HydrophobicContact CB-CG2 4.49Å
76	K	96.9	Very high	96.4	Very high	132 Å²	132	74.7 Å²	74.7	57%	0.574	39%	0.393	S	S	*	.	H	α-helix	trans	-62.5	-26.9	175.1	-68.3	170	-173.6	171.9	0	113.3	Y72 E73	Y72-K76 WeakPolarHBondContact O-CG 3.44Å; Y72-K76 PolarHBondContact O-N 2.82Å; Y72-K76 VanDerWaalsContact O-N 3.11Å; E73-K76 VanDerWaalsContact CD-NZ 3.25Å; E73-K76 PolarHBondContact O-N 3.06Å; E73-K76 WeakPolarHBondContact OE1-CE 3.17Å; E73-K76 IonicContact OE1-NZ 2.82Å; E73-K76 PolarHBondContact OE1-NZ 2.83Å; E73-K76 IonicContact OE2-NZ 3.75Å; E73-K76 PolarHBondContact OE2-NZ 3.08Å
77	L	97.1	Very high	96.3	Very high	137 Å²	137	75.3 Å²	75.3	72%	0.717	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.4	-179.8	-66.1	171.6	0	0	0	113.8	E73 L74 A75	E73-L77 WeakPolarHBondContact O-CG 3.42Å; E73-L77 PolarHBondContact O-N 3.46Å; L74-L77 PolarHBondContact O-N 3.17Å; A75-L77 PolarHBondContact O-N 2.83Å
78	L	97.3	Very high	96.3	Very high	13 Å²	13	73 Å²	73	7%	0.068	39%	0.388	C	S	.	.	S	Bend	trans	-74.3	144.6	173.2	-66.8	173.7	0	0	0	110.7	A75 L80 T85 L88 L96	A75-L78 WeakPolarHBondContact O-CB 3.48Å; A75-L78 PolarHBondContact O-N 2.95Å; L78-L80 PolarHBondContact O-N 3.25Å; L78-T85 HydrophobicContact CB-CG2 4.19Å; L78-L88 HydrophobicContact CD1-CD1 3.6Å; L78-L96 HydrophobicContact CD1-CB 3.96Å; L78-L96 HydrophobicContact CD1-CD1 3.9Å; L78-L96 HydrophobicContact CD2-CB 3.93Å
79	P	95.6	Very high	96.2	Very high	69 Å²	69	74 Å²	74	45%	0.448	39%	0.394	S	S	.	.	S	Bend	trans	-77.9	60.5	179.3	34.9	-38	0	0	0	111.4	Y100	P79-Y100 HydrophobicContact CG-CD2 3.82Å; P79-Y100 HydrophobicContact CG-CE2 3.93Å; P79-Y100 HydrophobicContact CG-CG 4.39Å
80	L	95.1	Very high	96.2	Very high	30 Å²	30	72.1 Å²	72.1	16%	0.157	39%	0.385	C	S	.	.	S	Bend	trans	-140.9	149.2	-177.3	-68.4	174.4	0	0	0	109.9	L78 T85 L96 V187	L78-L80 PolarHBondContact O-N 3.25Å; L80-T85 HydrophobicContact CB-CG2 3.63Å; L80-L96 HydrophobicContact CD1-CD1 3.98Å; L80-V187 HydrophobicContact CD1-CG2 4.14Å
81	P	95	Very high	96.2	Very high	63 Å²	63	69.7 Å²	69.7	41%	0.409	39%	0.385	S	S	.	.			trans	-54.9	142	175.8	-27.4	35.1	0	0	0	113.6	A83 I84 T85	P81-A83 PolarHBondContact O-N 3.05Å; P81-A83 VanDerWaalsContact O-N 3.1Å; P81-I84 WeakPolarHBondContact O-CB 3.43Å; P81-I84 PolarHBondContact O-N 2.66Å; P81-T85 PolarHBondContact O-N 2.73Å; P81-T85 VanDerWaalsContact O-N 3.14Å
82	A	95.4	Very high	96.2	Very high	75 Å²	75	68.3 Å²	68.3	62%	0.62	38%	0.38	S	S	*	.	H	α-helix	trans	-56.9	-29.7	-177.7	0	0	0	0	0	114.1	I84 T85 S86	A82-I84 PolarHBondContact O-N 3.26Å; A82-T85 WeakPolarHBondContact CA-OG1 3.31Å; A82-S86 VanDerWaalsContact O-CB 3.32Å; A82-S86 WeakPolarHBondContact O-CB 3.5Å; A82-S86 PolarHBondContact O-N 3.05Å; A82-S86 VanDerWaalsContact O-N 3.16Å; A82-S86 PolarHBondContact O-OG 3.23Å
83	A	95.1	Very high	96.3	Very high	68 Å²	68	61.6 Å²	61.6	56%	0.562	35%	0.354	S	S	*	.	H	α-helix	trans	-63.3	-25.4	174.6	0	0	0	0	0	113.4	P81 Q87	P81-A83 PolarHBondContact O-N 3.05Å; P81-A83 VanDerWaalsContact O-N 3.1Å; A83-Q87 PolarHBondContact O-NE2 3.09Å
84	I	95.2	Very high	96.3	Very high	71 Å²	71	62.4 Å²	62.4	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-91	-50.2	175.5	-58.5	-179.5	0	0	0	109.9	P81 A82 S86 Q87 L88 V187	P81-I84 WeakPolarHBondContact O-CB 3.43Å; P81-I84 PolarHBondContact O-N 2.66Å; A82-I84 PolarHBondContact O-N 3.26Å; I84-S86 VanDerWaalsContact C-N 3.27Å; I84-S86 PolarHBondContact O-N 3.44Å; I84-Q87 PolarHBondContact O-N 3.12Å; I84-L88 HydrophobicContact CG2-CD2 4.36Å; I84-V187 HydrophobicContact CG2-CG2 3.93Å
85	T	95.5	Very high	96.4	Very high	11 Å²	11	62.8 Å²	62.8	7%	0.067	36%	0.357	C	S	.	.	H	α-helix	trans	-63.5	-31.3	-172.9	58.9	0	0	0	0	113.5	A75 L78 L80 P81 A82 Q87 L88	A75-T85 VanDerWaalsContact O-CB 3.3Å; A75-T85 WeakPolarHBondContact O-CB 3.4Å; A75-T85 VanDerWaalsContact O-CG2 3.3Å; A75-T85 WeakPolarHBondContact O-CG2 3.25Å; L78-T85 HydrophobicContact CB-CG2 4.19Å; L80-T85 HydrophobicContact CB-CG2 3.63Å; P81-T85 PolarHBondContact O-N 2.73Å; P81-T85 VanDerWaalsContact O-N 3.14Å; A82-T85 WeakPolarHBondContact CA-OG1 3.31Å; T85-Q87 PolarHBondContact O-N 2.93Å; T85-L88 HydrophobicContact CG2-CD1 4.4Å; T85-L88 PolarHBondContact O-N 2.72Å
86	S	94.4	Very high	96.4	Very high	76 Å²	76	63.2 Å²	63.2	53%	0.531	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.1	173.9	52.7	0	0	0	0	114.9	A82 I84	A82-S86 VanDerWaalsContact O-CB 3.32Å; A82-S86 WeakPolarHBondContact O-CB 3.5Å; A82-S86 PolarHBondContact O-N 3.05Å; A82-S86 VanDerWaalsContact O-N 3.16Å; A82-S86 PolarHBondContact O-OG 3.23Å; I84-S86 VanDerWaalsContact C-N 3.27Å; I84-S86 PolarHBondContact O-N 3.44Å
87	Q	94.3	Very high	96.4	Very high	155 Å²	155	58.1 Å²	58.1	72%	0.724	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	1.2	-176.1	-58.5	-174.4	54.7	0	0	113.6	A83 I84 T85	A83-Q87 PolarHBondContact O-NE2 3.09Å; I84-Q87 PolarHBondContact O-N 3.12Å; T85-Q87 PolarHBondContact O-N 2.93Å
88	L	96.5	Very high	96.5	Very high	29 Å²	29	56 Å²	56	15%	0.152	33%	0.327	C	S	.	.			trans	-71.6	141.3	-177.1	-65.5	174.3	0	0	0	112.8	L78 I84 T85 I93 L96 V187	L78-L88 HydrophobicContact CD1-CD1 3.6Å; I84-L88 HydrophobicContact CG2-CD2 4.36Å; T85-L88 HydrophobicContact CG2-CD1 4.4Å; T85-L88 PolarHBondContact O-N 2.72Å; L88-I93 HydrophobicContact CB-CD1 4.18Å; L88-I93 HydrophobicContact CB-CG1 3.68Å; L88-I93 HydrophobicContact CD1-CG1 4.12Å; L88-L96 HydrophobicContact CD1-CD1 3.76Å; L88-L96 HydrophobicContact CD2-CD1 4.08Å; L88-V187 HydrophobicContact CD2-CG1 3.6Å
89	D	96.5	Very high	96.5	Very high	85 Å²	85	55.7 Å²	55.7	46%	0.455	33%	0.326	S	S	.	.			trans	-77	158.4	167.2	80.4	-87.9	0	0	0	111.8	A91 S92 I93	D89-A91 VanDerWaalsContact C-N 3.31Å; D89-A91 PolarHBondContact O-N 2.79Å; D89-A91 WeakPolarHBondContact OD2-CA 3.5Å; D89-A91 VanDerWaalsContact OD2-CB 3.28Å; D89-A91 WeakPolarHBondContact OD2-CB 3.27Å; D89-A91 PolarHBondContact OD2-N 2.85Å; D89-S92 PolarHBondContact O-N 3.15Å; D89-S92 WeakPolarHBondContact OD1-CB 3.32Å; D89-S92 PolarHBondContact OD1-OG 3.01Å; D89-S92 PolarHBondContact OD2-N 3.01Å; D89-I93 WeakPolarHBondContact O-CG1 3.45Å; D89-I93 PolarHBondContact O-N 3.43Å
90	K	96.8	Very high	96.6	Very high	77 Å²	77	56.3 Å²	56.3	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-57	-37.2	-178.3	-72.1	-174.4	169	-172	0	114.6	E67 N68 F71 I94	E67-K90 IonicContact OE1-NZ 2.78Å; E67-K90 PolarHBondContact OE1-NZ 3.27Å; N68-K90 VanDerWaalsContact OD1-CE 3.25Å; N68-K90 WeakPolarHBondContact OD1-CE 3.46Å; N68-K90 PolarHBondContact OD1-NZ 2.9Å; F71-K90 HydrophobicContact CD1-CB 4.21Å; F71-K90 HydrophobicContact CD1-CG 4.01Å; F71-K90 HydrophobicContact CD2-CD 3.67Å; F71-K90 HydrophobicContact CD2-CG 3.9Å; F71-K90 HydrophobicContact CE1-CB 3.92Å; F71-K90 HydrophobicContact CE1-CD 4.45Å; F71-K90 HydrophobicContact CE1-CG 4.09Å; F71-K90 HydrophobicContact CE2-CB 4.43Å; F71-K90 HydrophobicContact CE2-CD 3.52Å; F71-K90 HydrophobicContact CE2-CG 3.99Å; F71-K90 HydrophobicContact CG-CD 4.23Å; F71-K90 HydrophobicContact CG-CG 3.92Å; F71-K90 HydrophobicContact CZ-CB 4.04Å; F71-K90 HydrophobicContact CZ-CD 3.96Å; F71-K90 HydrophobicContact CZ-CG 4.09Å; K90-I94 WeakPolarHBondContact O-CG1 3.42Å; K90-I94 PolarHBondContact O-N 3.26Å
91	A	97.5	Very high	96.8	Very high	65 Å²	65	58.9 Å²	58.9	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-73.7	-38.7	-179.6	0	0	0	0	0	110.8	D89 I94 R95	D89-A91 VanDerWaalsContact C-N 3.31Å; D89-A91 PolarHBondContact O-N 2.79Å; D89-A91 WeakPolarHBondContact OD2-CA 3.5Å; D89-A91 VanDerWaalsContact OD2-CB 3.28Å; D89-A91 WeakPolarHBondContact OD2-CB 3.27Å; D89-A91 PolarHBondContact OD2-N 2.85Å; A91-I94 PolarHBondContact O-N 2.9Å; A91-R95 WeakPolarHBondContact O-CB 3.34Å; A91-R95 PolarHBondContact O-N 2.83Å
92	S	97.1	Very high	96.8	Very high	9 Å²	9	59.9 Å²	59.9	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-42	170.8	-66.7	0	0	0	0	112.5	D89 I94 R95 L96	D89-S92 PolarHBondContact O-N 3.15Å; D89-S92 WeakPolarHBondContact OD1-CB 3.32Å; D89-S92 PolarHBondContact OD1-OG 3.01Å; D89-S92 PolarHBondContact OD2-N 3.01Å; S92-I94 PolarHBondContact O-N 2.87Å; S92-R95 PolarHBondContact O-N 3.24Å; S92-R95 PolarHBondContact OG-NH2 2.91Å; S92-L96 WeakPolarHBondContact O-CB 3.48Å; S92-L96 WeakPolarHBondContact O-CG 3.31Å; S92-L96 PolarHBondContact O-N 2.84Å
93	I	98.1	Very high	96.8	Very high	6 Å²	6	58 Å²	58	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-55.6	-52	175.7	-65.2	161.4	0	0	0	110.4	F71 L74 A75 L88 D89 R95 L96 T97	F71-I93 HydrophobicContact CB-CD1 4.47Å; F71-I93 HydrophobicContact CD1-CB 4.4Å; F71-I93 HydrophobicContact CD1-CD1 4.36Å; F71-I93 HydrophobicContact CD1-CG2 4.22Å; L74-I93 HydrophobicContact CB-CG2 4.21Å; L74-I93 HydrophobicContact CD2-CG2 3.89Å; L74-I93 HydrophobicContact CG-CG2 3.86Å; A75-I93 HydrophobicContact CB-CD1 3.89Å; A75-I93 HydrophobicContact CB-CG1 4.02Å; A75-I93 HydrophobicContact CB-CG2 4.49Å; L88-I93 HydrophobicContact CB-CD1 4.18Å; L88-I93 HydrophobicContact CB-CG1 3.68Å; L88-I93 HydrophobicContact CD1-CG1 4.12Å; D89-I93 WeakPolarHBondContact O-CG1 3.45Å; D89-I93 PolarHBondContact O-N 3.43Å; I93-R95 PolarHBondContact O-N 3.19Å; I93-L96 PolarHBondContact O-N 3.11Å; I93-T97 WeakPolarHBondContact O-CB 3.43Å; I93-T97 PolarHBondContact O-N 3.41Å; I93-T97 PolarHBondContact O-OG1 2.95Å
94	I	98.2	Very high	96.8	Very high	79 Å²	79	60.7 Å²	60.7	41%	0.405	31%	0.306	S	S	.	.	H	α-helix	trans	-59.8	-47.7	178.2	-63.1	166.8	0	0	0	111.3	F71 K90 A91 S92 L96 T97 I98	F71-I94 HydrophobicContact CE1-CD1 3.88Å; F71-I94 HydrophobicContact CE1-CG1 3.8Å; F71-I94 HydrophobicContact CZ-CD1 4.03Å; F71-I94 HydrophobicContact CZ-CG1 4.43Å; K90-I94 WeakPolarHBondContact O-CG1 3.42Å; K90-I94 PolarHBondContact O-N 3.26Å; A91-I94 PolarHBondContact O-N 2.9Å; S92-I94 PolarHBondContact O-N 2.87Å; I94-L96 PolarHBondContact O-N 2.95Å; I94-T97 PolarHBondContact O-N 3.44Å; I94-I98 HydrophobicContact CG2-CD1 3.63Å; I94-I98 HydrophobicContact CG2-CG1 4.28Å; I94-I98 WeakPolarHBondContact O-CG1 3.41Å; I94-I98 PolarHBondContact O-N 3.02Å
95	R	98.1	Very high	96.7	Very high	65 Å²	65	61.2 Å²	61.2	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-45.3	-178.3	175.1	173.1	55.6	138.9	3.9	111.6	A91 S92 I93 S99 V187 E188 T190 S192	A91-R95 WeakPolarHBondContact O-CB 3.34Å; A91-R95 PolarHBondContact O-N 2.83Å; S92-R95 PolarHBondContact O-N 3.24Å; S92-R95 PolarHBondContact OG-NH2 2.91Å; I93-R95 PolarHBondContact O-N 3.19Å; R95-S99 VanDerWaalsContact O-CB 3.31Å; R95-S99 WeakPolarHBondContact O-CB 3.13Å; R95-S99 PolarHBondContact O-N 3.15Å; R95-S99 PolarHBondContact O-OG 2.78Å; R95-V187 PolarHBondContact NH2-O 3.28Å; R95-E188 PolarHBondContact NH1-O 2.88Å; R95-T190 WeakPolarHBondContact CD-O 3.31Å; R95-T190 WeakPolarHBondContact CG-O 3.14Å; R95-S192 PolarHBondContact NH1-OG 3.39Å
96	L	98.3	Very high	96.6	Very high	12 Å²	12	61 Å²	61	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-44.4	176.8	-67.2	170	0	0	0	111.3	L78 L80 L88 S92 I93 I94 I98 S99 Y100 V187 T190	L78-L96 HydrophobicContact CD1-CB 3.96Å; L78-L96 HydrophobicContact CD1-CD1 3.9Å; L78-L96 HydrophobicContact CD2-CB 3.93Å; L80-L96 HydrophobicContact CD1-CD1 3.98Å; L88-L96 HydrophobicContact CD1-CD1 3.76Å; L88-L96 HydrophobicContact CD2-CD1 4.08Å; S92-L96 WeakPolarHBondContact O-CB 3.48Å; S92-L96 WeakPolarHBondContact O-CG 3.31Å; S92-L96 PolarHBondContact O-N 2.84Å; I93-L96 PolarHBondContact O-N 3.11Å; I94-L96 PolarHBondContact O-N 2.95Å; L96-I98 PolarHBondContact O-N 2.71Å; L96-S99 PolarHBondContact O-N 2.7Å; L96-Y100 WeakPolarHBondContact O-CB 3.4Å; L96-Y100 PolarHBondContact O-N 3.4Å; L96-V187 HydrophobicContact CD1-CG1 4.31Å; L96-T190 HydrophobicContact CD2-CG2 3.8Å
97	T	98.2	Very high	96.5	Very high	26 Å²	26	58.1 Å²	58.1	16%	0.16	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-49.2	175.7	-58.1	0	0	0	0	111.9	L74 I93 I94 S99 Y100 L101	L74-T97 HydrophobicContact CD1-CG2 3.95Å; L74-T97 HydrophobicContact CD2-CG2 4.42Å; I93-T97 WeakPolarHBondContact O-CB 3.43Å; I93-T97 PolarHBondContact O-N 3.41Å; I93-T97 PolarHBondContact O-OG1 2.95Å; I94-T97 PolarHBondContact O-N 3.44Å; T97-S99 VanDerWaalsContact C-N 3.31Å; T97-S99 PolarHBondContact O-N 3.14Å; T97-Y100 PolarHBondContact O-N 3.2Å; T97-L101 HydrophobicContact CG2-CD1 4.07Å; T97-L101 VanDerWaalsContact O-CG 3.31Å; T97-L101 WeakPolarHBondContact O-CG 3.49Å; T97-L101 PolarHBondContact O-N 3.46Å
98	I	98.2	Very high	96.3	Very high	92 Å²	92	53.9 Å²	53.9	47%	0.472	27%	0.27	S	S	.	.	H	α-helix	trans	-61.7	-42.1	178.5	-69.3	173.3	0	0	0	110.7	I94 L96 L101 K102	I94-I98 HydrophobicContact CG2-CD1 3.63Å; I94-I98 HydrophobicContact CG2-CG1 4.28Å; I94-I98 WeakPolarHBondContact O-CG1 3.41Å; I94-I98 PolarHBondContact O-N 3.02Å; L96-I98 PolarHBondContact O-N 2.71Å; I98-L101 PolarHBondContact O-N 2.82Å; I98-K102 WeakPolarHBondContact O-CB 3.47Å; I98-K102 PolarHBondContact O-N 3.36Å
99	S	98	Very high	95.8	Very high	7 Å²	7	55 Å²	55	5%	0.049	28%	0.275	C	S	.	.	H	α-helix	trans	-68.2	-42.2	-178.9	-54.3	0	0	0	0	111.8	R95 L96 T97 K102 M103 G191	R95-S99 VanDerWaalsContact O-CB 3.31Å; R95-S99 WeakPolarHBondContact O-CB 3.13Å; R95-S99 PolarHBondContact O-N 3.15Å; R95-S99 PolarHBondContact O-OG 2.78Å; L96-S99 PolarHBondContact O-N 2.7Å; T97-S99 VanDerWaalsContact C-N 3.31Å; T97-S99 PolarHBondContact O-N 3.14Å; S99-K102 PolarHBondContact O-N 3.14Å; S99-M103 WeakPolarHBondContact O-CB 3.4Å; S99-M103 PolarHBondContact O-N 3.36Å; S99-G191 WeakPolarHBondContact OG-CA 3.4Å; S99-G191 PolarHBondContact OG-N 2.85Å
100	Y	97.7	Very high	95.1	Very high	82 Å²	82	51 Å²	51	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-42.9	174	174.6	-112.8	0	0	0	112.3	P79 L96 T97 M103 R104	P79-Y100 HydrophobicContact CG-CD2 3.82Å; P79-Y100 HydrophobicContact CG-CE2 3.93Å; P79-Y100 HydrophobicContact CG-CG 4.39Å; L96-Y100 WeakPolarHBondContact O-CB 3.4Å; L96-Y100 PolarHBondContact O-N 3.4Å; T97-Y100 PolarHBondContact O-N 3.2Å; Y100-M103 PolarHBondContact O-N 3.03Å; Y100-R104 WeakPolarHBondContact O-CB 3.38Å; Y100-R104 PolarHBondContact O-N 2.8Å
101	L	97.6	Very high	94.1	Very high	84 Å²	84	52.4 Å²	52.4	44%	0.44	27%	0.265	S	S	.	.	H	α-helix	trans	-64.9	-43.6	176	-69.9	172.8	0	0	0	111.9	T97 I98 R104 D105	T97-L101 HydrophobicContact CG2-CD1 4.07Å; T97-L101 VanDerWaalsContact O-CG 3.31Å; T97-L101 WeakPolarHBondContact O-CG 3.49Å; T97-L101 PolarHBondContact O-N 3.46Å; I98-L101 PolarHBondContact O-N 2.82Å; L101-R104 PolarHBondContact O-N 3.03Å; L101-D105 PolarHBondContact O-N 3.18Å; L101-D105 VanDerWaalsContact O-N 3.08Å
102	K	96.7	Very high	93.4	Very high	84 Å²	84	53.6 Å²	53.6	37%	0.365	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-38.3	172.3	-79.1	-163.9	172.1	-160.5	0	112.5	I98 S99 D105 F106 E168 L172	I98-K102 WeakPolarHBondContact O-CB 3.47Å; I98-K102 PolarHBondContact O-N 3.36Å; S99-K102 PolarHBondContact O-N 3.14Å; K102-D105 PolarHBondContact O-N 3.36Å; K102-F106 VanDerWaalsContact O-CB 3.27Å; K102-F106 WeakPolarHBondContact O-CB 3.17Å; K102-F106 PolarHBondContact O-N 2.92Å; K102-E168 IonicContact NZ-OE1 3.08Å; K102-E168 IonicContact NZ-OE2 3.14Å; K102-E168 PolarHBondContact NZ-OE2 2.99Å; K102-L172 HydrophobicContact CB-CD2 3.58Å; K102-L172 HydrophobicContact CD-CD2 4.14Å
103	M	95.6	Very high	92.9	Very high	34 Å²	34	56.1 Å²	56.1	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-43.2	177.1	179.6	58.4	178.8	0	0	111.3	S99 Y100 D105 F106 A107 W114 A164 L172 Y173	S99-M103 WeakPolarHBondContact O-CB 3.4Å; S99-M103 PolarHBondContact O-N 3.36Å; Y100-M103 PolarHBondContact O-N 3.03Å; M103-D105 VanDerWaalsContact C-N 3.33Å; M103-D105 PolarHBondContact O-N 3.22Å; M103-F106 PolarHBondContact O-N 2.98Å; M103-A107 WeakPolarHBondContact O-CB 3.49Å; M103-A107 PolarHBondContact O-N 3.14Å; M103-W114 HydrophobicContact CE-CE3 4.26Å; M103-W114 HydrophobicContact CE-CZ3 3.67Å; M103-W114 HydrophobicContact SD-CZ3 4.4Å; M103-A164 HydrophobicContact SD-CB 4.28Å; M103-L172 HydrophobicContact CB-CB 4.03Å; M103-L172 HydrophobicContact CG-CB 4.46Å; M103-L172 HydrophobicContact SD-CB 3.84Å; M103-Y173 VanDerWaalsContact CE-CB 3.43Å; M103-Y173 HydrophobicContact CE-CD1 4.47Å; M103-Y173 HydrophobicContact CE-CG 3.92Å
104	R	94.1	Very high	92.3	Very high	126 Å²	126	60.9 Å²	60.9	48%	0.475	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-38	174.8	-170	-179.3	68.4	169.9	1.3	111.8	Y100 L101 N108	Y100-R104 WeakPolarHBondContact O-CB 3.38Å; Y100-R104 PolarHBondContact O-N 2.8Å; L101-R104 PolarHBondContact O-N 3.03Å; R104-N108 PolarHBondContact O-N 3.12Å; R104-N108 PolarHBondContact O-ND2 3.37Å
105	D	92.9	Very high	91	Very high	81 Å²	81	61 Å²	61	43%	0.433	30%	0.302	S	S	.	.	H	α-helix	trans	-66.8	-48.3	175.1	-167	52.3	0	0	0	111.6	L101 K102 M103 A107 N108 Q109	L101-D105 PolarHBondContact O-N 3.18Å; L101-D105 VanDerWaalsContact O-N 3.08Å; K102-D105 PolarHBondContact O-N 3.36Å; M103-D105 VanDerWaalsContact C-N 3.33Å; M103-D105 PolarHBondContact O-N 3.22Å; D105-A107 VanDerWaalsContact C-N 3.33Å; D105-A107 PolarHBondContact O-N 3.01Å; D105-N108 PolarHBondContact O-N 2.91Å; D105-N108 VanDerWaalsContact O-N 3.15Å; D105-Q109 WeakPolarHBondContact O-CG 3.47Å; D105-Q109 PolarHBondContact O-N 3.07Å; D105-Q109 VanDerWaalsContact O-N 3.16Å; D105-Q109 PolarHBondContact OD1-NE2 3.17Å; D105-Q109 PolarHBondContact OD2-NE2 3.46Å
106	F	93.6	Very high	88.7	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.035	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-42.6	174.8	-179	-88.3	0	0	0	112.5	K102 M103 N108 W114 A164 L172 R293 M309 V312	K102-F106 VanDerWaalsContact O-CB 3.27Å; K102-F106 WeakPolarHBondContact O-CB 3.17Å; K102-F106 PolarHBondContact O-N 2.92Å; M103-F106 PolarHBondContact O-N 2.98Å; F106-N108 VanDerWaalsContact C-N 3.27Å; F106-N108 PolarHBondContact O-N 3.02Å; F106-W114 HydrophobicContact CD1-CH2 4.2Å; F106-W114 HydrophobicContact CD1-CZ3 4Å; F106-W114 AromaticContact CE1-CH2 3.71Å; F106-W114 HydrophobicContact CE1-CH2 3.71Å; F106-W114 HydrophobicContact CE1-CZ2 4.47Å; F106-W114 AromaticContact CE1-CZ3 3.99Å; F106-W114 HydrophobicContact CE1-CZ3 3.99Å; F106-A164 HydrophobicContact CE1-CB 4.18Å; F106-L172 HydrophobicContact CB-CD1 3.5Å; F106-L172 VanDerWaalsContact CB-CD1 3.5Å; F106-L172 HydrophobicContact CD1-CD1 4.21Å; F106-L172 HydrophobicContact CD2-CD1 3.69Å; F106-L172 HydrophobicContact CE2-CD1 4.44Å; F106-L172 HydrophobicContact CG-CD1 3.56Å; F106-R293 HydrophobicContact CE2-CB 4.49Å; F106-R293 HydrophobicContact CZ-CB 4.01Å; F106-R293 PolarHBondContact O-NH1 2.89Å; F106-M309 HydrophobicContact CB-CE 4.27Å; F106-M309 HydrophobicContact CD2-CB 3.88Å; F106-M309 HydrophobicContact CD2-CE 3.75Å; F106-M309 HydrophobicContact CE2-CB 3.68Å; F106-M309 HydrophobicContact CE2-CE 4.35Å; F106-M309 HydrophobicContact CG-CE 4.05Å; F106-M309 VanDerWaalsContact O-CE 3.3Å; F106-M309 WeakPolarHBondContact O-CE 3.44Å; F106-V312 HydrophobicContact CE1-CG2 3.63Å; F106-V312 HydrophobicContact CZ-CG2 3.61Å
107	A	92.4	Very high	86.3	Confident	15 Å²	15	72.5 Å²	72.5	12%	0.124	35%	0.352	C	S	.	.	H	α-helix	trans	-57.1	-39.1	176.7	0	0	0	0	0	112.7	M103 D105 P113 W114 R293	M103-A107 WeakPolarHBondContact O-CB 3.49Å; M103-A107 PolarHBondContact O-N 3.14Å; D105-A107 VanDerWaalsContact C-N 3.33Å; D105-A107 PolarHBondContact O-N 3.01Å; A107-P113 WeakPolarHBondContact O-CA 3.41Å; A107-W114 HydrophobicContact CB-CB 4.18Å; A107-W114 HydrophobicContact CB-CD2 4.46Å; A107-W114 HydrophobicContact CB-CE3 3.8Å; A107-W114 PolarHBondContact O-N 2.71Å; A107-R293 PolarHBondContact O-NH2 3.32Å
108	N	89.9	Confident	83.5	Confident	65 Å²	65	77.7 Å²	77.7	35%	0.348	38%	0.376	S	S	.	.	H	α-helix	trans	-86.7	-26.7	-173.7	-82.3	-73.4	0	0	0	115	R104 D105 F106 N115	R104-N108 PolarHBondContact O-N 3.12Å; R104-N108 PolarHBondContact O-ND2 3.37Å; D105-N108 PolarHBondContact O-N 2.91Å; D105-N108 VanDerWaalsContact O-N 3.15Å; F106-N108 VanDerWaalsContact C-N 3.27Å; F106-N108 PolarHBondContact O-N 3.02Å; N108-N115 PolarHBondContact OD1-ND2 2.95Å
109	Q	87	Confident	80.7	Confident	54 Å²	54	80.8 Å²	80.8	25%	0.252	39%	0.389	S	S	.	.	H	α-helix	trans	-94.1	-13.7	-169.4	-72.1	-179.3	17.3	0	0	116.3	D105 R295 V296 M309	D105-Q109 WeakPolarHBondContact O-CG 3.47Å; D105-Q109 PolarHBondContact O-N 3.07Å; D105-Q109 VanDerWaalsContact O-N 3.16Å; D105-Q109 PolarHBondContact OD1-NE2 3.17Å; D105-Q109 PolarHBondContact OD2-NE2 3.46Å; Q109-R295 VanDerWaalsContact OE1-CZ 3.26Å; Q109-V296 PolarHBondContact O-N 2.94Å; Q109-M309 HydrophobicContact CB-CE 3.64Å; Q109-M309 HydrophobicContact CB-SD 4.22Å
110	G	81.6	Confident	77.8	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-96.6	165.8	176.1	0	0	0	0	0	112.6	P112 P113 R293 L294	G110-P112 CarbonylContact O-C 3.59Å; G110-P112 VanDerWaalsContact O-O 3.12Å; G110-P113 WeakPolarHBondContact O-CA 3.34Å; G110-R293 PolarHBondContact O-NH2 2.75Å; G110-L294 WeakPolarHBondContact CA-O 3.35Å
111	D	76.4	Confident	74.7	Confident	107 Å²	107	83.9 Å²	83.9	57%	0.572	43%	0.427	S	S	*	.	S	Bend	trans	-95.3	131.8	-178.6	-166.3	20.1	0	0	0	112.3	V296	D111-V296 HydrophobicContact CB-CG2 3.84Å
112	P	81.7	Confident	71.8	Confident	89 Å²	89	84.1 Å²	84.1	58%	0.578	43%	0.434	S	S	*	.	S	Bend	cis	-67.5	156.4	-22.9	31.8	-35.2	0	0	0	111.2	G110 W114 R293	G110-P112 CarbonylContact O-C 3.59Å; G110-P112 VanDerWaalsContact O-O 3.12Å; P112-W114 PolarHBondContact O-N 3.28Å; P112-R293 PolarHBondContact O-NH2 3.31Å
113	P	85.7	Confident	69.2	Low	62 Å²	62	86.3 Å²	86.3	40%	0.403	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.7	134.9	168.1	-25.1	35.8	0	0	0	110.5	A107 G110 N115	A107-P113 WeakPolarHBondContact O-CA 3.41Å; G110-P113 WeakPolarHBondContact O-CA 3.34Å; P113-N115 PolarHBondContact O-N 2.95Å
114	W	87	Confident	66.6	Low	106 Å²	106	91.2 Å²	91.2	40%	0.402	48%	0.484	S	S	.	.	S	Bend	trans	-78.2	27.2	-174.3	-64.4	-18.6	0	0	0	114.5	M103 F106 A107 P112 R293 V312	M103-W114 HydrophobicContact CE-CE3 4.26Å; M103-W114 HydrophobicContact CE-CZ3 3.67Å; M103-W114 HydrophobicContact SD-CZ3 4.4Å; F106-W114 HydrophobicContact CD1-CH2 4.2Å; F106-W114 HydrophobicContact CD1-CZ3 4Å; F106-W114 AromaticContact CE1-CH2 3.71Å; F106-W114 HydrophobicContact CE1-CH2 3.71Å; F106-W114 HydrophobicContact CE1-CZ2 4.47Å; F106-W114 AromaticContact CE1-CZ3 3.99Å; F106-W114 HydrophobicContact CE1-CZ3 3.99Å; A107-W114 HydrophobicContact CB-CB 4.18Å; A107-W114 HydrophobicContact CB-CD2 4.46Å; A107-W114 HydrophobicContact CB-CE3 3.8Å; A107-W114 PolarHBondContact O-N 2.71Å; P112-W114 PolarHBondContact O-N 3.28Å; W114-R293 VanDerWaalsContact CD2-NH1 3.27Å; W114-R293 VanDerWaalsContact CE2-CZ 3.45Å; W114-R293 VanDerWaalsContact CZ2-NH1 3.35Å; W114-V312 HydrophobicContact CH2-CG1 3.89Å; W114-V312 HydrophobicContact CH2-CG2 3.75Å; W114-V312 HydrophobicContact CZ2-CG1 3.97Å; W114-V312 HydrophobicContact CZ2-CG2 3.93Å
115	N	69.8	Low	64.3	Low	81 Å²	81	89.9 Å²	89.9	43%	0.433	49%	0.49	S	S	.	.	S	Bend	trans	-80	130.8	166.2	-59.8	-55.9	0	0	0	107.8	N108 P113 R117	N108-N115 PolarHBondContact OD1-ND2 2.95Å; P113-N115 PolarHBondContact O-N 2.95Å; N115-R117 PolarHBondContact O-N 2.87Å
116	L	51.4	Low	61.7	Low	110 Å²	110	91.3 Å²	91.3	58%	0.576	51%	0.506	S	S	*	.			trans	-59.4	109.3	167.3	-71.7	-176.1	0	0	0	108.3	M118 P914	L116-M118 PolarHBondContact O-N 2.88Å; L116-P914 HydrophobicContact CD1-CB 4.22Å; L116-P914 HydrophobicContact CD1-CG 3.8Å; L116-P914 HydrophobicContact CG-CG 4.42Å
117	R	46.2	Very low	59.3	Low	210 Å²	210	96.6 Å²	96.6	79%	0.792	54%	0.539	S	S	*	.			trans	-69.2	87.2	159.3	-75.4	-163.2	-179.1	-157.4	4.7	107.7	N115 E119	N115-R117 PolarHBondContact O-N 2.87Å; R117-E119 IonicContact NH1-OE2 3.64Å; R117-E119 PolarHBondContact O-N 3.15Å
118	M	40	Very low	56.6	Low	135 Å²	135	104.6 Å²	104.6	67%	0.665	57%	0.571	S	S	*	*			trans	-58.8	86.3	148.6	-78.6	-71.7	-177.5	0	0	107.1	L116 G120 E147	L116-M118 PolarHBondContact O-N 2.88Å; M118-G120 PolarHBondContact O-N 3.46Å; M118-E147 WeakPolarHBondContact CE-OE1 3.44Å
119	E	38.7	Very low	54.2	Low	156 Å²	156	107.2 Å²	107.2	73%	0.729	59%	0.589	S	S	*	*			trans	-74.2	46.8	173.7	-158.4	77.8	-147.7	0	0	109.6	R117	R117-E119 IonicContact NH1-OE2 3.64Å; R117-E119 PolarHBondContact O-N 3.15Å
120	G	38.8	Very low	51.9	Low	49 Å²	49	111.9 Å²	111.9	51%	0.505	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-76.3	156	165.9	0	0	0	0	0	109.8	M118	M118-G120 PolarHBondContact O-N 3.46Å
121	P	31.7	Very low	49.6	Very low	105 Å²	105	115.4 Å²	115.4	68%	0.682	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-55.3	143.4	175.8	-23.8	33.9	0	0	0	111.2
122	P	36.7	Very low	47.6	Very low	90 Å²	90	113.5 Å²	113.5	58%	0.584	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-56.7	140.3	176.5	24.6	-34	0	0	0	109.8	N124	P122-N124 PolarHBondContact O-N 3.29Å
123	P	43.1	Very low	45.7	Very low	129 Å²	129	118.1 Å²	118.1	84%	0.838	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	12.7	-164.6	26.7	-36.4	0	0	0	115.9
124	N	40.3	Very low	43.7	Very low	137 Å²	137	125.9 Å²	125.9	73%	0.733	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-5.9	-172	-62.3	-1.1	0	0	0	113.5	P122 S126	P122-N124 PolarHBondContact O-N 3.29Å; N124-S126 VanDerWaalsContact C-N 3.31Å; N124-S126 PolarHBondContact O-N 3.14Å
125	T	44.8	Very low	41.6	Very low	98 Å²	98	132.4 Å²	132.4	60%	0.601	71%	0.71	S	S	*	*			trans	-82.7	72.5	174.7	58.9	0	0	0	0	111.3	V127	T125-V127 PolarHBondContact O-N 3.49Å
126	S	39.8	Very low	40.8	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	72%	0.719	S	S	*	*			trans	-75	46.8	-173.5	55.2	0	0	0	0	115.1	N124 K128	N124-S126 VanDerWaalsContact C-N 3.31Å; N124-S126 PolarHBondContact O-N 3.14Å; S126-K128 PolarHBondContact O-N 3.14Å
127	V	42.5	Very low	41.1	Very low	119 Å²	119	133.7 Å²	133.7	72%	0.721	71%	0.708	S	S	*	*			trans	-71	93.8	169.9	-175.1	0	0	0	0	108.9	T125 V129	T125-V127 PolarHBondContact O-N 3.49Å; V127-V129 VanDerWaalsContact C-N 3.29Å; V127-V129 HydrophobicContact CG1-CG2 4.03Å; V127-V129 PolarHBondContact O-N 2.65Å
128	K	35.4	Very low	41.8	Very low	182 Å²	182	127.8 Å²	127.8	79%	0.791	70%	0.697	S	S	*	*			trans	-63.2	85	171.2	-88.7	-175.3	170.3	-179.6	0	110.8	S126 I130	S126-K128 PolarHBondContact O-N 3.14Å; K128-I130 HydrophobicContact CB-CD1 4.49Å; K128-I130 HydrophobicContact CB-CG1 4.23Å; K128-I130 PolarHBondContact O-N 3.3Å
129	V	40.3	Very low	43.1	Very low	120 Å²	120	124.7 Å²	124.7	73%	0.727	69%	0.689	S	S	*	*			trans	-74.4	77.2	165.8	-173.9	0	0	0	0	108.7	V127 G131	V127-V129 VanDerWaalsContact C-N 3.29Å; V127-V129 HydrophobicContact CG1-CG2 4.03Å; V127-V129 PolarHBondContact O-N 2.65Å; V129-G131 PolarHBondContact O-N 3.08Å
130	I	38.1	Very low	44.5	Very low	152 Å²	152	118.9 Å²	118.9	78%	0.779	67%	0.668	S	S	*	*			trans	-67.4	123.3	173.2	-63.7	167.6	0	0	0	107.9	K128	K128-I130 HydrophobicContact CB-CD1 4.49Å; K128-I130 HydrophobicContact CB-CG1 4.23Å; K128-I130 PolarHBondContact O-N 3.3Å
131	G	33.6	Very low	45.8	Very low	75 Å²	75	120.1 Å²	120.1	77%	0.773	66%	0.662	S	S	*	*			trans	102.4	61.7	168.8	0	0	0	0	0	116	V129	V129-G131 PolarHBondContact O-N 3.08Å
132	A	34.6	Very low	47.6	Very low	67 Å²	67	117 Å²	117	55%	0.554	65%	0.646	S	S	*	*			trans	-142.8	99.9	157.9	0	0	0	0	0	111.6	R134	A132-R134 HydrophobicContact CB-CG 4.25Å; A132-R134 PolarHBondContact O-N 3.05Å
133	Q	40.5	Very low	49.4	Very low	186 Å²	186	117.9 Å²	117.9	87%	0.869	64%	0.644	S	S	*	*			trans	-70.3	71.8	159	-85	171.5	-127.4	0	0	108.9	R135	Q133-R135 PolarHBondContact O-N 3.12Å; Q133-R135 VanDerWaalsContact O-N 3.11Å
134	R	44.5	Very low	50.9	Low	225 Å²	225	116.1 Å²	116.1	85%	0.849	63%	0.625	S	S	*	*			trans	-61.3	115.3	171.2	-77.6	-166.1	175.9	-153.6	0.4	108	A132 R136	A132-R134 HydrophobicContact CB-CG 4.25Å; A132-R134 PolarHBondContact O-N 3.05Å; R134-R136 PolarHBondContact O-N 2.95Å; R134-R136 VanDerWaalsContact O-N 3.16Å
135	R	43.3	Very low	52.8	Low	243 Å²	243	113.5 Å²	113.5	92%	0.917	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-52.8	120.5	159.4	-64.2	-179.1	178	-168.4	-1	106.5	Q133 S137	Q133-R135 PolarHBondContact O-N 3.12Å; Q133-R135 VanDerWaalsContact O-N 3.11Å; R135-S137 PolarHBondContact O-N 3.39Å
136	R	52.3	Low	54.4	Low	166 Å²	166	115.1 Å²	115.1	63%	0.626	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-60.3	124.8	168.8	-64.9	-171.5	-169.4	-176.8	7.7	106.6	R134 L141 E144	R134-R136 PolarHBondContact O-N 2.95Å; R134-R136 VanDerWaalsContact O-N 3.16Å; R136-L141 HydrophobicContact CB-CD1 4.48Å; R136-L141 HydrophobicContact CB-CD2 4.41Å; R136-L141 HydrophobicContact CB-CG 4.18Å; R136-E144 IonicContact NH1-OE1 2.64Å; R136-E144 IonicContact NH1-OE2 3.06Å; R136-E144 PolarHBondContact NH1-OE2 3.32Å
137	S	57.2	Low	56.4	Low	51 Å²	51	114.4 Å²	114.4	36%	0.357	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-68.6	151.6	173.3	56.5	0	0	0	0	109.1	R135 S139 A140 L141	R135-S137 PolarHBondContact O-N 3.39Å; S137-S139 WeakPolarHBondContact CB-OG 3.33Å; S137-S139 PolarHBondContact O-N 2.91Å; S137-S139 VanDerWaalsContact O-N 3.16Å; S137-S139 PolarHBondContact OG-OG 3.37Å; S137-A140 PolarHBondContact O-N 3.22Å; S137-A140 PolarHBondContact OG-N 2.9Å; S137-L141 PolarHBondContact O-N 3.12Å
138	P	62.2	Low	58.2	Low	86 Å²	86	110.6 Å²	110.6	56%	0.558	58%	0.578	S	S	*	*	H	α-helix	trans	-53.4	-33.9	170.9	-27.2	35.9	0	0	0	112.2	L141 A142	P138-L141 PolarHBondContact O-N 2.77Å; P138-A142 WeakPolarHBondContact O-CB 3.37Å; P138-A142 PolarHBondContact O-N 2.99Å
139	S	67.1	Low	60.6	Low	71 Å²	71	105.6 Å²	105.6	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-64.2	-36.9	174	52.9	0	0	0	0	114.4	S137 A142 I143	S137-S139 WeakPolarHBondContact CB-OG 3.33Å; S137-S139 PolarHBondContact O-N 2.91Å; S137-S139 VanDerWaalsContact O-N 3.16Å; S137-S139 PolarHBondContact OG-OG 3.37Å; S139-A142 PolarHBondContact O-N 3.49Å; S139-I143 WeakPolarHBondContact O-CD1 3.42Å; S139-I143 VanDerWaalsContact O-CG1 3.25Å; S139-I143 WeakPolarHBondContact O-CG1 3.38Å; S139-I143 PolarHBondContact O-N 2.9Å
140	A	68.2	Low	62.9	Low	33 Å²	33	104 Å²	104	27%	0.273	54%	0.544	S	S	.	.	H	α-helix	trans	-67.5	-43.8	175.2	0	0	0	0	0	111.2	S137 A142 I143 E144	S137-A140 PolarHBondContact O-N 3.22Å; S137-A140 PolarHBondContact OG-N 2.9Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 2.9Å; A140-I143 PolarHBondContact O-N 3.32Å; A140-E144 WeakPolarHBondContact O-CG 3.38Å; A140-E144 PolarHBondContact O-N 2.92Å
141	L	66	Low	65.3	Low	76 Å²	76	98.6 Å²	98.6	40%	0.398	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-37.3	175.1	-67.6	174	0	0	0	112.1	R136 S137 P138 E144 V145	R136-L141 HydrophobicContact CB-CD1 4.48Å; R136-L141 HydrophobicContact CB-CD2 4.41Å; R136-L141 HydrophobicContact CB-CG 4.18Å; S137-L141 PolarHBondContact O-N 3.12Å; P138-L141 PolarHBondContact O-N 2.77Å; L141-E144 PolarHBondContact O-N 2.7Å; L141-V145 VanDerWaalsContact O-CG2 3.32Å; L141-V145 WeakPolarHBondContact O-CG2 3.27Å; L141-V145 PolarHBondContact O-N 3.03Å
142	A	69.5	Low	67.9	Low	40 Å²	40	98 Å²	98	33%	0.331	51%	0.509	S	S	.	.	H	α-helix	trans	-63.2	-43.7	174.2	0	0	0	0	0	111.6	P138 S139 A140 V145 F146	P138-A142 WeakPolarHBondContact O-CB 3.37Å; P138-A142 PolarHBondContact O-N 2.99Å; S139-A142 PolarHBondContact O-N 3.49Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 2.9Å; A142-V145 PolarHBondContact O-N 2.95Å; A142-F146 HydrophobicContact CB-CD2 4.4Å; A142-F146 HydrophobicContact CB-CE2 4.23Å; A142-F146 WeakPolarHBondContact O-CD2 3.34Å; A142-F146 PolarHBondContact O-N 2.93Å
143	I	74.3	Confident	70.6	Confident	107 Å²	107	98.5 Å²	98.5	55%	0.549	50%	0.5	S	S	.	.	H	α-helix	trans	-61.9	-48.2	174.8	-67.7	162.2	0	0	0	110.6	S139 A140 V145 F146 E147	S139-I143 WeakPolarHBondContact O-CD1 3.42Å; S139-I143 VanDerWaalsContact O-CG1 3.25Å; S139-I143 WeakPolarHBondContact O-CG1 3.38Å; S139-I143 PolarHBondContact O-N 2.9Å; A140-I143 PolarHBondContact O-N 3.32Å; I143-V145 PolarHBondContact O-N 3Å; I143-F146 PolarHBondContact O-N 3.23Å; I143-E147 VanDerWaalsContact O-CB 3.28Å; I143-E147 WeakPolarHBondContact O-CB 3.43Å; I143-E147 PolarHBondContact O-N 3.01Å
144	E	75.5	Confident	73.1	Confident	92 Å²	92	93.9 Å²	93.9	43%	0.43	48%	0.481	S	S	.	.	H	α-helix	trans	-52.7	-42	174.7	-74.2	171.5	-156.4	0	0	111.6	R136 A140 L141 A148	R136-E144 IonicContact NH1-OE1 2.64Å; R136-E144 IonicContact NH1-OE2 3.06Å; R136-E144 PolarHBondContact NH1-OE2 3.32Å; A140-E144 WeakPolarHBondContact O-CG 3.38Å; A140-E144 PolarHBondContact O-N 2.92Å; L141-E144 PolarHBondContact O-N 2.7Å; E144-A148 VanDerWaalsContact O-CB 3.31Å; E144-A148 WeakPolarHBondContact O-CB 3.43Å; E144-A148 PolarHBondContact O-N 2.9Å
145	V	78.6	Confident	75.4	Confident	83 Å²	83	84.4 Å²	84.4	50%	0.503	45%	0.447	S	S	.	.	H	α-helix	trans	-73.1	-44	179.1	169.4	0	0	0	0	113	L141 A142 I143 H149	L141-V145 VanDerWaalsContact O-CG2 3.32Å; L141-V145 WeakPolarHBondContact O-CG2 3.27Å; L141-V145 PolarHBondContact O-N 3.03Å; A142-V145 PolarHBondContact O-N 2.95Å; I143-V145 PolarHBondContact O-N 3Å; V145-H149 PolarHBondContact O-ND1 2.92Å
146	F	79.6	Confident	77.7	Confident	132 Å²	132	80.2 Å²	80.2	58%	0.579	44%	0.437	S	S	*	.	H	α-helix	trans	-68.1	-37.9	179.3	-73.4	-58	0	0	0	112.2	A142 I143 H149 L150 H153	A142-F146 HydrophobicContact CB-CD2 4.4Å; A142-F146 HydrophobicContact CB-CE2 4.23Å; A142-F146 WeakPolarHBondContact O-CD2 3.34Å; A142-F146 PolarHBondContact O-N 2.93Å; I143-F146 PolarHBondContact O-N 3.23Å; F146-H149 PolarHBondContact O-N 2.9Å; F146-L150 WeakPolarHBondContact O-CA 3.34Å; F146-L150 PolarHBondContact O-N 2.76Å; F146-L150 VanDerWaalsContact O-N 3.1Å; F146-H153 AromaticContact CD1-CE1 3.97Å
147	E	81.7	Confident	79.6	Confident	96 Å²	96	75.6 Å²	75.6	45%	0.449	43%	0.431	S	S	.	.	H	α-helix	trans	-68	-43.5	178.3	-172.9	169.8	-164.3	0	0	111.8	M118 I143 H149 L150	M118-E147 WeakPolarHBondContact CE-OE1 3.44Å; I143-E147 VanDerWaalsContact O-CB 3.28Å; I143-E147 WeakPolarHBondContact O-CB 3.43Å; I143-E147 PolarHBondContact O-N 3.01Å; E147-H149 PolarHBondContact O-N 2.93Å; E147-H149 VanDerWaalsContact O-N 3.15Å; E147-L150 WeakPolarHBondContact O-CB 3.47Å; E147-L150 PolarHBondContact O-N 2.86Å
148	A	80.7	Confident	81.2	Confident	40 Å²	40	75.6 Å²	75.6	33%	0.331	43%	0.426	S	S	.	.	H	α-helix	trans	-59.1	-27.7	178	0	0	0	0	0	114	E144 P916	E144-A148 VanDerWaalsContact O-CB 3.31Å; E144-A148 WeakPolarHBondContact O-CB 3.43Å; E144-A148 PolarHBondContact O-N 2.9Å; A148-P916 WeakPolarHBondContact O-CG 3.4Å
149	H	85	Confident	82.5	Confident	76 Å²	76	74.3 Å²	74.3	35%	0.352	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	9.9	-177.5	-56.5	91.6	0	0	0	113.3	V145 F146 E147 G151 S152 H153	V145-H149 PolarHBondContact O-ND1 2.92Å; F146-H149 PolarHBondContact O-N 2.9Å; E147-H149 PolarHBondContact O-N 2.93Å; E147-H149 VanDerWaalsContact O-N 3.15Å; H149-G151 VanDerWaalsContact C-N 3.32Å; H149-G151 PolarHBondContact O-N 3.11Å; H149-S152 PolarHBondContact O-N 3.15Å; H149-H153 PolarHBondContact O-N 3.1Å; H149-H153 PolarHBondContact O-ND1 3.05Å
150	L	88.5	Confident	83.7	Confident	88 Å²	88	70.9 Å²	70.9	46%	0.461	39%	0.391	S	S	.	.	H	α-helix	trans	-53.7	-43.3	-170.6	179.5	60.8	0	0	0	113.4	F146 E147 S152 H153 I154	F146-L150 WeakPolarHBondContact O-CA 3.34Å; F146-L150 PolarHBondContact O-N 2.76Å; F146-L150 VanDerWaalsContact O-N 3.1Å; E147-L150 WeakPolarHBondContact O-CB 3.47Å; E147-L150 PolarHBondContact O-N 2.86Å; L150-S152 PolarHBondContact O-N 3.21Å; L150-H153 PolarHBondContact O-N 2.88Å; L150-I154 HydrophobicContact CD1-CD1 3.9Å; L150-I154 HydrophobicContact CD1-CG1 4.2Å; L150-I154 HydrophobicContact CG-CD1 3.86Å; L150-I154 WeakPolarHBondContact O-CD1 3.27Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.3Å; L150-I154 PolarHBondContact O-N 2.9Å
151	G	87.8	Confident	85.1	Confident	37 Å²	37	69.4 Å²	69.4	38%	0.381	38%	0.378	S	S	.	.	H	α-helix	trans	-61.2	-44.1	177.9	0	0	0	0	0	113.1	H149 I154 L155	H149-G151 VanDerWaalsContact C-N 3.32Å; H149-G151 PolarHBondContact O-N 3.11Å; G151-I154 PolarHBondContact O-N 2.9Å; G151-L155 WeakPolarHBondContact O-CG 3.44Å; G151-L155 PolarHBondContact O-N 2.83Å; G151-L155 VanDerWaalsContact O-N 3.07Å
152	S	89.1	Confident	86.6	Confident	62 Å²	62	67.2 Å²	67.2	43%	0.434	37%	0.368	S	S	.	.	H	α-helix	trans	-67	-44.5	177.3	-52.6	0	0	0	0	111.5	H149 L150 I154 L155 Q156	H149-S152 PolarHBondContact O-N 3.15Å; L150-S152 PolarHBondContact O-N 3.21Å; S152-I154 VanDerWaalsContact C-N 3.34Å; S152-I154 PolarHBondContact O-N 3.23Å; S152-L155 PolarHBondContact O-N 2.87Å; S152-Q156 VanDerWaalsContact O-CB 3.3Å; S152-Q156 WeakPolarHBondContact O-CB 3.43Å; S152-Q156 VanDerWaalsContact O-CG 3.28Å; S152-Q156 WeakPolarHBondContact O-CG 3.22Å; S152-Q156 PolarHBondContact O-N 3Å
153	H	90.5	Very high	88	Confident	78 Å²	78	65.4 Å²	65.4	36%	0.361	35%	0.353	S	S	.	.	H	α-helix	trans	-58.4	-45.8	175.7	-68.2	143.4	0	0	0	111.3	F146 H149 L150 Q156 S157	F146-H153 AromaticContact CD1-CE1 3.97Å; H149-H153 PolarHBondContact O-N 3.1Å; H149-H153 PolarHBondContact O-ND1 3.05Å; L150-H153 PolarHBondContact O-N 2.88Å; H153-Q156 PolarHBondContact O-N 2.8Å; H153-S157 VanDerWaalsContact O-CB 3.29Å; H153-S157 WeakPolarHBondContact O-CB 3.46Å; H153-S157 PolarHBondContact O-N 3.04Å; H153-S157 PolarHBondContact O-OG 2.77Å
154	I	93.3	Very high	89.1	Confident	90 Å²	90	60.4 Å²	60.4	46%	0.462	33%	0.327	S	S	.	.	H	α-helix	trans	-58.8	-51.7	177.1	-70.7	164.2	0	0	0	110.9	L150 G151 S152 Q156 S157 L158	L150-I154 HydrophobicContact CD1-CD1 3.9Å; L150-I154 HydrophobicContact CD1-CG1 4.2Å; L150-I154 HydrophobicContact CG-CD1 3.86Å; L150-I154 WeakPolarHBondContact O-CD1 3.27Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.3Å; L150-I154 PolarHBondContact O-N 2.9Å; G151-I154 PolarHBondContact O-N 2.9Å; S152-I154 VanDerWaalsContact C-N 3.34Å; S152-I154 PolarHBondContact O-N 3.23Å; I154-Q156 PolarHBondContact O-N 3.1Å; I154-S157 PolarHBondContact O-N 2.83Å; I154-L158 HydrophobicContact CG2-CD1 4.23Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 2.94Å
155	L	93.7	Very high	90.2	Very high	25 Å²	25	56 Å²	56	13%	0.131	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-33.8	-175.9	-68.1	-178.2	0	0	0	113.3	G151 S152 V162 T177	G151-L155 WeakPolarHBondContact O-CG 3.44Å; G151-L155 PolarHBondContact O-N 2.83Å; G151-L155 VanDerWaalsContact O-N 3.07Å; S152-L155 PolarHBondContact O-N 2.87Å; L155-V162 HydrophobicContact CD2-CG2 4.18Å; L155-T177 HydrophobicContact CB-CG2 4.2Å
156	Q	90.8	Very high	91	Very high	155 Å²	155	52.4 Å²	52.4	72%	0.724	29%	0.285	S	S	*	.	H	α-helix	trans	-81.2	-18.4	178.9	-67.4	173.6	-4.6	0	0	113.5	S152 H153 I154	S152-Q156 VanDerWaalsContact O-CB 3.3Å; S152-Q156 WeakPolarHBondContact O-CB 3.43Å; S152-Q156 VanDerWaalsContact O-CG 3.28Å; S152-Q156 WeakPolarHBondContact O-CG 3.22Å; S152-Q156 PolarHBondContact O-N 3Å; H153-Q156 PolarHBondContact O-N 2.8Å; I154-Q156 PolarHBondContact O-N 3.1Å
157	S	92.4	Very high	91.6	Very high	69 Å²	69	51.4 Å²	51.4	48%	0.483	28%	0.282	S	S	.	.	H	α-helix	trans	-87.3	-10.9	176.4	-54.2	0	0	0	0	113.5	H153 I154	H153-S157 VanDerWaalsContact O-CB 3.29Å; H153-S157 WeakPolarHBondContact O-CB 3.46Å; H153-S157 PolarHBondContact O-N 3.04Å; H153-S157 PolarHBondContact O-OG 2.77Å; I154-S157 PolarHBondContact O-N 2.83Å
158	L	91.1	Very high	92.2	Very high	51 Å²	51	50.4 Å²	50.4	27%	0.267	28%	0.277	S	S	.	.	S	Bend	trans	-91.4	122.9	178.7	-72.7	169.8	0	0	0	110.1	I154 G160 V162 V314	I154-L158 HydrophobicContact CG2-CD1 4.23Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 2.94Å; L158-G160 PolarHBondContact O-N 2.84Å; L158-V162 HydrophobicContact CD1-CG2 3.51Å; L158-V314 HydrophobicContact CD2-CG1 4.24Å
159	D	88.3	Confident	92.9	Very high	59 Å²	59	48.5 Å²	48.5	32%	0.316	26%	0.261	S	S	.	.	S	Bend	trans	-76.6	66.4	169.4	-167.2	18.8	0	0	0	110.7	Y181 H316	D159-Y181 VanDerWaalsContact CA-OH 3.29Å; D159-Y181 WeakPolarHBondContact CA-OH 3.49Å; D159-Y181 VanDerWaalsContact OD1-CE1 3.27Å; D159-Y181 WeakPolarHBondContact OD1-CE1 3.34Å; D159-Y181 PolarHBondContact OD1-OH 3.37Å; D159-H316 PolarHBondContact O-ND1 2.92Å
160	G	93.4	Very high	93.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	166.2	-155.6	-175.9	0	0	0	0	0	114.6	L158 T177 Y181 A315	L158-G160 PolarHBondContact O-N 2.84Å; G160-T177 PolarHBondContact O-OG1 2.93Å; G160-Y181 VanDerWaalsContact CA-CE2 3.45Å; G160-Y181 VanDerWaalsContact N-CZ 3.25Å; G160-Y181 PolarHBondContact N-OH 3.04Å; G160-Y181 WeakPolarHBondContact O-CE2 3.17Å; G160-A315 CarbonylContact C-O 3.56Å; G160-A315 VanDerWaalsContact CA-O 3.27Å; G160-A315 WeakPolarHBondContact CA-O 3.33Å
161	F	97.4	Very high	94	Very high	1 Å²	1	45 Å²	45	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.3	179.9	57.9	-83.4	0	0	0	111.9	F163 I174 S175 T177 V178 Y181 L182 M267 I286 A315	F161-F163 AromaticContact CD2-CD1 3.93Å; F161-F163 HydrophobicContact CD2-CD1 3.93Å; F161-F163 HydrophobicContact CD2-CE1 4.46Å; F161-F163 AromaticContact CE2-CD1 3.77Å; F161-F163 HydrophobicContact CE2-CD1 3.77Å; F161-F163 AromaticContact CE2-CE1 3.89Å; F161-F163 HydrophobicContact CE2-CE1 3.89Å; F161-I174 HydrophobicContact CD2-CD1 3.82Å; F161-I174 HydrophobicContact CD2-CG1 4.2Å; F161-I174 HydrophobicContact CE2-CD1 4.05Å; F161-S175 WeakPolarHBondContact CA-OG 3.35Å; F161-S175 WeakPolarHBondContact CB-OG 3.36Å; F161-T177 WeakPolarHBondContact CA-OG1 3.37Å; F161-T177 WeakPolarHBondContact CB-OG1 3.42Å; F161-V178 HydrophobicContact CB-CB 4.01Å; F161-V178 HydrophobicContact CD1-CB 4.49Å; F161-V178 HydrophobicContact CD1-CG2 4.28Å; F161-V178 HydrophobicContact CD2-CB 4.02Å; F161-V178 HydrophobicContact CD2-CG2 3.77Å; F161-V178 HydrophobicContact CE1-CG2 4.41Å; F161-V178 HydrophobicContact CE2-CG2 3.9Å; F161-V178 HydrophobicContact CG-CB 3.94Å; F161-V178 HydrophobicContact CG-CG2 3.97Å; F161-V178 HydrophobicContact CZ-CG2 4.23Å; F161-Y181 HydrophobicContact CD1-CD2 4.22Å; F161-Y181 HydrophobicContact CD1-CG 4.33Å; F161-L182 HydrophobicContact CE1-CD1 4.28Å; F161-L182 HydrophobicContact CE1-CG 4.37Å; F161-L182 HydrophobicContact CZ-CD1 3.87Å; F161-L182 HydrophobicContact CZ-CG 4.45Å; F161-M267 HydrophobicContact CE2-SD 4.41Å; F161-M267 HydrophobicContact CZ-SD 4.07Å; F161-I286 HydrophobicContact CE1-CD1 4.14Å; F161-I286 HydrophobicContact CE1-CG2 4.49Å; F161-I286 HydrophobicContact CZ-CD1 4.37Å; F161-I286 HydrophobicContact CZ-CG1 4.43Å; F161-I286 HydrophobicContact CZ-CG2 4.11Å; F161-A315 HydrophobicContact CD1-CB 4.42Å; F161-A315 HydrophobicContact CD2-CB 4.02Å; F161-A315 HydrophobicContact CE1-CB 4.11Å; F161-A315 HydrophobicContact CE2-CB 3.69Å; F161-A315 HydrophobicContact CG-CB 4.38Å; F161-A315 HydrophobicContact CZ-CB 3.73Å; F161-A315 PolarHBondContact N-O 2.79Å; F161-A315 PolarHBondContact O-N 3.34Å
162	V	98.1	Very high	94.4	Very high	31 Å²	31	43.8 Å²	43.8	19%	0.188	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.8	-176.8	-176.5	0	0	0	0	108.7	L155 L158 Y173 I174 S175 V313 V314	L155-V162 HydrophobicContact CD2-CG2 4.18Å; L158-V162 HydrophobicContact CD1-CG2 3.51Å; V162-Y173 HydrophobicContact CB-CE1 4.49Å; V162-Y173 HydrophobicContact CG1-CE1 4.49Å; V162-I174 CarbonylContact O-C 3.56Å; V162-I174 VanDerWaalsContact O-CA 3.3Å; V162-I174 WeakPolarHBondContact O-CA 3.29Å; V162-S175 PolarHBondContact N-OG 3.32Å; V162-S175 PolarHBondContact O-N 3.07Å; V162-V313 WeakPolarHBondContact CA-O 3.33Å; V162-V314 HydrophobicContact CG2-CG2 4.38Å
163	F	98.3	Very high	94.9	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	157.9	173.1	65.5	-105.4	0	0	0	114.2	F161 L165 F171 Y173 I174 I288 V313 A315	F161-F163 AromaticContact CD2-CD1 3.93Å; F161-F163 HydrophobicContact CD2-CD1 3.93Å; F161-F163 HydrophobicContact CD2-CE1 4.46Å; F161-F163 AromaticContact CE2-CD1 3.77Å; F161-F163 HydrophobicContact CE2-CD1 3.77Å; F161-F163 AromaticContact CE2-CE1 3.89Å; F161-F163 HydrophobicContact CE2-CE1 3.89Å; F163-L165 HydrophobicContact CD2-CD1 4.43Å; F163-L165 HydrophobicContact CD2-CD2 4.05Å; F163-L165 HydrophobicContact CD2-CG 3.81Å; F163-L165 HydrophobicContact CE2-CD1 3.85Å; F163-L165 HydrophobicContact CE2-CD2 4.22Å; F163-L165 HydrophobicContact CE2-CG 3.74Å; F163-F171 HydrophobicContact CB-CD1 4.13Å; F163-F171 HydrophobicContact CB-CE1 4.22Å; F163-F171 HydrophobicContact CD1-CE1 4.35Å; F163-F171 HydrophobicContact CD2-CD1 4.37Å; F163-F171 HydrophobicContact CD2-CE1 4.08Å; F163-F171 HydrophobicContact CE2-CE1 4.5Å; F163-F171 HydrophobicContact CG-CD1 4.33Å; F163-F171 AromaticContact CG-CE1 4Å; F163-F171 HydrophobicContact CG-CE1 4Å; F163-Y173 VanDerWaalsContact CA-O 3.29Å; F163-Y173 WeakPolarHBondContact CA-O 3.37Å; F163-Y173 WeakPolarHBondContact CB-O 3.18Å; F163-I174 HydrophobicContact CB-CB 3.95Å; F163-I174 HydrophobicContact CB-CD1 3.91Å; F163-I174 HydrophobicContact CB-CG1 3.89Å; F163-I174 HydrophobicContact CD1-CD1 4.17Å; F163-I174 HydrophobicContact CG-CD1 4.37Å; F163-I288 HydrophobicContact CZ-CD1 3.84Å; F163-I288 HydrophobicContact CZ-CG1 4.24Å; F163-V313 HydrophobicContact CD1-CG1 4.15Å; F163-V313 HydrophobicContact CD2-CB 4.15Å; F163-V313 HydrophobicContact CD2-CG1 4.42Å; F163-V313 HydrophobicContact CE1-CB 4.4Å; F163-V313 HydrophobicContact CE1-CG1 3.65Å; F163-V313 HydrophobicContact CE2-CB 3.84Å; F163-V313 HydrophobicContact CE2-CG1 3.92Å; F163-V313 HydrophobicContact CE2-CG2 4.33Å; F163-V313 HydrophobicContact CZ-CB 3.99Å; F163-V313 HydrophobicContact CZ-CG1 3.52Å; F163-V313 PolarHBondContact N-O 2.68Å; F163-V313 PolarHBondContact O-N 2.79Å; F163-A315 HydrophobicContact CD1-CB 4.17Å; F163-A315 HydrophobicContact CE1-CB 3.68Å
164	A	98	Very high	95.3	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.017	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.4	171.7	0	0	0	0	0	109.4	M103 F106 L172 Y173 L311 V312	M103-A164 HydrophobicContact SD-CB 4.28Å; F106-A164 HydrophobicContact CE1-CB 4.18Å; A164-L172 PolarHBondContact O-N 3.16Å; A164-Y173 PolarHBondContact N-O 2.87Å; A164-Y173 PolarHBondContact O-N 2.75Å; A164-L311 WeakPolarHBondContact CA-O 3.43Å; A164-V312 HydrophobicContact CB-CG2 4.48Å
165	L	98	Very high	95.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	149.9	169.7	-56.2	179.9	0	0	0	109.7	F163 K170 F171 V194 M206 L210 G310 L311	F163-L165 HydrophobicContact CD2-CD1 4.43Å; F163-L165 HydrophobicContact CD2-CD2 4.05Å; F163-L165 HydrophobicContact CD2-CG 3.81Å; F163-L165 HydrophobicContact CE2-CD1 3.85Å; F163-L165 HydrophobicContact CE2-CD2 4.22Å; F163-L165 HydrophobicContact CE2-CG 3.74Å; L165-K170 WeakPolarHBondContact CA-O 3.21Å; L165-F171 HydrophobicContact CD2-CB 4.45Å; L165-F171 HydrophobicContact CD2-CD1 3.44Å; L165-F171 VanDerWaalsContact CD2-CD1 3.44Å; L165-F171 HydrophobicContact CD2-CD2 4.46Å; L165-F171 HydrophobicContact CD2-CE1 3.69Å; L165-F171 HydrophobicContact CD2-CG 3.86Å; L165-F171 HydrophobicContact CD2-CZ 4.33Å; L165-V194 HydrophobicContact CD1-CB 4.08Å; L165-V194 HydrophobicContact CD1-CG1 4Å; L165-V194 HydrophobicContact CD1-CG2 4.14Å; L165-V194 HydrophobicContact CD2-CB 4.09Å; L165-V194 HydrophobicContact CD2-CG2 4.41Å; L165-M206 HydrophobicContact CD1-CE 3.52Å; L165-L210 HydrophobicContact CB-CD2 4.37Å; L165-L210 HydrophobicContact CD1-CD1 4.3Å; L165-L210 HydrophobicContact CD1-CD2 3.91Å; L165-G310 CarbonylContact O-C 2.98Å; L165-G310 VanDerWaalsContact O-CA 3.26Å; L165-G310 WeakPolarHBondContact O-CA 3.42Å; L165-L311 HydrophobicContact CB-CB 4.4Å; L165-L311 PolarHBondContact N-O 3.34Å; L165-L311 PolarHBondContact O-N 2.78Å
166	N	95.2	Very high	95.6	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.043	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	177.1	165.2	74.9	-9.6	0	0	0	112.5	E168 G169 K170 L172 M309	N166-E168 PolarHBondContact ND2-OE1 3.1Å; N166-E168 PolarHBondContact ND2-OE2 3.31Å; N166-E168 PolarHBondContact O-N 3.12Å; N166-E168 WeakPolarHBondContact OD1-CA 3.27Å; N166-E168 WeakPolarHBondContact OD1-CB 3.47Å; N166-E168 PolarHBondContact OD1-N 3.4Å; N166-G169 PolarHBondContact O-N 2.93Å; N166-G169 PolarHBondContact OD1-N 3.16Å; N166-K170 PolarHBondContact N-O 3.38Å; N166-K170 VanDerWaalsContact N-O 3.07Å; N166-K170 PolarHBondContact OD1-N 3.29Å; N166-L172 HydrophobicContact CB-CD1 3.92Å; N166-L172 HydrophobicContact CB-CD2 4.05Å; N166-L172 HydrophobicContact CB-CG 3.95Å; N166-M309 CarbonylContact C-O 3.56Å; N166-M309 WeakPolarHBondContact CA-O 3.37Å
167	Q	92.4	Very high	95.8	Very high	110 Å²	110	33.4 Å²	33.4	51%	0.514	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-13.9	172	64.2	172.5	23.9	0	0	115.3	M212 M309	Q167-M212 WeakPolarHBondContact O-CE 3.3Å; Q167-M309 PolarHBondContact N-O 3.38Å
168	E	93.5	Very high	96	Very high	75 Å²	75	30.1 Å²	30.1	35%	0.35	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	6	176	-56.6	118.8	-132.1	0	0	112.2	K102 N166 K170	K102-E168 IonicContact NZ-OE1 3.08Å; K102-E168 IonicContact NZ-OE2 3.14Å; K102-E168 PolarHBondContact NZ-OE2 2.99Å; N166-E168 PolarHBondContact ND2-OE1 3.1Å; N166-E168 PolarHBondContact ND2-OE2 3.31Å; N166-E168 PolarHBondContact O-N 3.12Å; N166-E168 WeakPolarHBondContact OD1-CA 3.27Å; N166-E168 WeakPolarHBondContact OD1-CB 3.47Å; N166-E168 PolarHBondContact OD1-N 3.4Å; E168-K170 VanDerWaalsContact C-N 3.27Å; E168-K170 HydrophobicContact CB-CG 4.39Å; E168-K170 PolarHBondContact O-N 2.66Å
169	G	95.7	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	71.3	19.1	180	0	0	0	0	0	113.6	N166 V194	N166-G169 PolarHBondContact O-N 2.93Å; N166-G169 PolarHBondContact OD1-N 3.16Å; G169-V194 WeakPolarHBondContact O-CB 3.44Å; G169-V194 WeakPolarHBondContact O-CG1 3.15Å; G169-V194 PolarHBondContact O-N 3.4Å
170	K	97.8	Very high	96.4	Very high	92 Å²	92	33 Å²	33	40%	0.4	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-93.1	137.7	178.2	-61.2	-166.7	173.8	-155.2	0	111.3	L165 N166 E168 L172 S192	L165-K170 WeakPolarHBondContact CA-O 3.21Å; N166-K170 PolarHBondContact N-O 3.38Å; N166-K170 VanDerWaalsContact N-O 3.07Å; N166-K170 PolarHBondContact OD1-N 3.29Å; E168-K170 VanDerWaalsContact C-N 3.27Å; E168-K170 HydrophobicContact CB-CG 4.39Å; E168-K170 PolarHBondContact O-N 2.66Å; K170-L172 PolarHBondContact O-N 2.88Å; K170-L172 VanDerWaalsContact O-N 3.11Å; K170-S192 VanDerWaalsContact CA-O 3.29Å; K170-S192 WeakPolarHBondContact CA-O 3.43Å
171	F	98.5	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	109.1	173.6	-66.5	-77.5	0	0	0	110.4	F163 L165 I174 L189 G191 S192 V194 Y197 M267	F163-F171 HydrophobicContact CB-CD1 4.13Å; F163-F171 HydrophobicContact CB-CE1 4.22Å; F163-F171 HydrophobicContact CD1-CE1 4.35Å; F163-F171 HydrophobicContact CD2-CD1 4.37Å; F163-F171 HydrophobicContact CD2-CE1 4.08Å; F163-F171 HydrophobicContact CE2-CE1 4.5Å; F163-F171 HydrophobicContact CG-CD1 4.33Å; F163-F171 AromaticContact CG-CE1 4Å; F163-F171 HydrophobicContact CG-CE1 4Å; L165-F171 HydrophobicContact CD2-CB 4.45Å; L165-F171 HydrophobicContact CD2-CD1 3.44Å; L165-F171 VanDerWaalsContact CD2-CD1 3.44Å; L165-F171 HydrophobicContact CD2-CD2 4.46Å; L165-F171 HydrophobicContact CD2-CE1 3.69Å; L165-F171 HydrophobicContact CD2-CG 3.86Å; L165-F171 HydrophobicContact CD2-CZ 4.33Å; F171-I174 HydrophobicContact CD1-CB 4.33Å; F171-I174 HydrophobicContact CD1-CD1 4.08Å; F171-I174 HydrophobicContact CE1-CD1 3.75Å; F171-I174 HydrophobicContact CZ-CD1 4.4Å; F171-L189 HydrophobicContact CD2-CB 4.33Å; F171-L189 HydrophobicContact CD2-CD2 4.4Å; F171-L189 WeakPolarHBondContact CD2-O 3.2Å; F171-L189 HydrophobicContact CE2-CD2 3.84Å; F171-L189 HydrophobicContact CZ-CD2 4.29Å; F171-G191 PolarHBondContact O-N 3.47Å; F171-S192 PolarHBondContact N-O 2.96Å; F171-S192 VanDerWaalsContact N-O 3.15Å; F171-V194 HydrophobicContact CE1-CG2 4.39Å; F171-V194 HydrophobicContact CE2-CB 4.12Å; F171-V194 HydrophobicContact CE2-CG2 4.18Å; F171-V194 HydrophobicContact CZ-CB 4.13Å; F171-V194 HydrophobicContact CZ-CG2 3.73Å; F171-Y197 HydrophobicContact CE2-CD2 4.31Å; F171-M267 HydrophobicContact CZ-CE 4.28Å
172	L	98	Very high	96.1	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.052	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-35.9	167.8	-61.8	-170.3	0	0	0	110.9	K102 M103 F106 A164 N166 K170	K102-L172 HydrophobicContact CB-CD2 3.58Å; K102-L172 HydrophobicContact CD-CD2 4.14Å; M103-L172 HydrophobicContact CB-CB 4.03Å; M103-L172 HydrophobicContact CG-CB 4.46Å; M103-L172 HydrophobicContact SD-CB 3.84Å; F106-L172 HydrophobicContact CB-CD1 3.5Å; F106-L172 VanDerWaalsContact CB-CD1 3.5Å; F106-L172 HydrophobicContact CD1-CD1 4.21Å; F106-L172 HydrophobicContact CD2-CD1 3.69Å; F106-L172 HydrophobicContact CE2-CD1 4.44Å; F106-L172 HydrophobicContact CG-CD1 3.56Å; A164-L172 PolarHBondContact O-N 3.16Å; N166-L172 HydrophobicContact CB-CD1 3.92Å; N166-L172 HydrophobicContact CB-CD2 4.05Å; N166-L172 HydrophobicContact CB-CG 3.95Å; K170-L172 PolarHBondContact O-N 2.88Å; K170-L172 VanDerWaalsContact O-N 3.11Å
173	Y	98.2	Very high	96	Very high	64 Å²	64	34.8 Å²	34.8	25%	0.251	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.4	174.9	170.1	-95.1	0	0	0	109.8	M103 V162 F163 A164	M103-Y173 VanDerWaalsContact CE-CB 3.43Å; M103-Y173 HydrophobicContact CE-CD1 4.47Å; M103-Y173 HydrophobicContact CE-CG 3.92Å; V162-Y173 HydrophobicContact CB-CE1 4.49Å; V162-Y173 HydrophobicContact CG1-CE1 4.49Å; F163-Y173 VanDerWaalsContact CA-O 3.29Å; F163-Y173 WeakPolarHBondContact CA-O 3.37Å; F163-Y173 WeakPolarHBondContact CB-O 3.18Å; A164-Y173 PolarHBondContact N-O 2.87Å; A164-Y173 PolarHBondContact O-N 2.75Å
174	I	98.3	Very high	95.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	144.8	163	-173.4	149.4	0	0	0	108.8	F161 V162 F163 F171 V178 Q186 L189	F161-I174 HydrophobicContact CD2-CD1 3.82Å; F161-I174 HydrophobicContact CD2-CG1 4.2Å; F161-I174 HydrophobicContact CE2-CD1 4.05Å; V162-I174 CarbonylContact O-C 3.56Å; V162-I174 VanDerWaalsContact O-CA 3.3Å; V162-I174 WeakPolarHBondContact O-CA 3.29Å; F163-I174 HydrophobicContact CB-CB 3.95Å; F163-I174 HydrophobicContact CB-CD1 3.91Å; F163-I174 HydrophobicContact CB-CG1 3.89Å; F163-I174 HydrophobicContact CD1-CD1 4.17Å; F163-I174 HydrophobicContact CG-CD1 4.37Å; F171-I174 HydrophobicContact CD1-CB 4.33Å; F171-I174 HydrophobicContact CD1-CD1 4.08Å; F171-I174 HydrophobicContact CE1-CD1 3.75Å; F171-I174 HydrophobicContact CZ-CD1 4.4Å; I174-V178 HydrophobicContact CD1-CB 4.15Å; I174-V178 HydrophobicContact CD1-CG1 4.39Å; I174-V178 HydrophobicContact CD1-CG2 3.92Å; I174-V178 HydrophobicContact CG1-CB 4.1Å; I174-V178 HydrophobicContact CG1-CG1 4.16Å; I174-V178 HydrophobicContact CG1-CG2 4.42Å; I174-Q186 HydrophobicContact CG2-CB 4.47Å; I174-Q186 HydrophobicContact CG2-CG 4.13Å; I174-Q186 WeakPolarHBondContact O-CG 3.5Å; I174-Q186 PolarHBondContact O-NE2 3.32Å; I174-L189 HydrophobicContact CD1-CD1 4.1Å; I174-L189 HydrophobicContact CG2-CB 3.93Å; I174-L189 HydrophobicContact CG2-CD1 4.47Å
175	S	97.5	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.			trans	-72.7	148.1	178	61	0	0	0	0	112.1	F161 V162 T177 V178	F161-S175 WeakPolarHBondContact CA-OG 3.35Å; F161-S175 WeakPolarHBondContact CB-OG 3.36Å; V162-S175 PolarHBondContact N-OG 3.32Å; V162-S175 PolarHBondContact O-N 3.07Å; S175-T177 PolarHBondContact O-N 3Å; S175-T177 VanDerWaalsContact O-N 3.15Å; S175-T177 PolarHBondContact OG-OG1 2.82Å; S175-V178 VanDerWaalsContact O-CG1 3.26Å; S175-V178 WeakPolarHBondContact O-CG1 3.35Å; S175-V178 PolarHBondContact O-N 2.8Å
176	E	96.2	Very high	95.7	Very high	116 Å²	116	39.3 Å²	39.3	54%	0.542	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.5	174.8	61.9	-143.6	-121.1	0	0	113.9	V178 S179	E176-V178 PolarHBondContact O-N 3.24Å; E176-V178 VanDerWaalsContact O-N 3.09Å; E176-S179 WeakPolarHBondContact O-CB 3.49Å; E176-S179 PolarHBondContact O-N 2.85Å; E176-S179 VanDerWaalsContact O-N 3.08Å; E176-S179 PolarHBondContact O-OG 3.33Å
177	T	95.8	Very high	95.9	Very high	12 Å²	12	40 Å²	40	7%	0.074	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19	177.3	60.7	0	0	0	0	113.7	L155 G160 F161 S175 S179 I180 Y181	L155-T177 HydrophobicContact CB-CG2 4.2Å; G160-T177 PolarHBondContact O-OG1 2.93Å; F161-T177 WeakPolarHBondContact CA-OG1 3.37Å; F161-T177 WeakPolarHBondContact CB-OG1 3.42Å; S175-T177 PolarHBondContact O-N 3Å; S175-T177 VanDerWaalsContact O-N 3.15Å; S175-T177 PolarHBondContact OG-OG1 2.82Å; T177-S179 PolarHBondContact O-N 3.05Å; T177-I180 HydrophobicContact CG2-CD1 4.34Å; T177-I180 WeakPolarHBondContact O-CB 3.42Å; T177-I180 PolarHBondContact O-N 3.41Å; T177-Y181 VanDerWaalsContact O-CD2 3.28Å; T177-Y181 WeakPolarHBondContact O-CD2 3.35Å; T177-Y181 PolarHBondContact O-N 3.25Å
178	V	96.5	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54.5	-28	172.1	72.3	0	0	0	0	112.7	F161 I174 S175 E176 I180 Y181 L182 L189	F161-V178 HydrophobicContact CB-CB 4.01Å; F161-V178 HydrophobicContact CD1-CB 4.49Å; F161-V178 HydrophobicContact CD1-CG2 4.28Å; F161-V178 HydrophobicContact CD2-CB 4.02Å; F161-V178 HydrophobicContact CD2-CG2 3.77Å; F161-V178 HydrophobicContact CE1-CG2 4.41Å; F161-V178 HydrophobicContact CE2-CG2 3.9Å; F161-V178 HydrophobicContact CG-CB 3.94Å; F161-V178 HydrophobicContact CG-CG2 3.97Å; F161-V178 HydrophobicContact CZ-CG2 4.23Å; I174-V178 HydrophobicContact CD1-CB 4.15Å; I174-V178 HydrophobicContact CD1-CG1 4.39Å; I174-V178 HydrophobicContact CD1-CG2 3.92Å; I174-V178 HydrophobicContact CG1-CB 4.1Å; I174-V178 HydrophobicContact CG1-CG1 4.16Å; I174-V178 HydrophobicContact CG1-CG2 4.42Å; S175-V178 VanDerWaalsContact O-CG1 3.26Å; S175-V178 WeakPolarHBondContact O-CG1 3.35Å; S175-V178 PolarHBondContact O-N 2.8Å; E176-V178 PolarHBondContact O-N 3.24Å; E176-V178 VanDerWaalsContact O-N 3.09Å; V178-I180 VanDerWaalsContact C-N 3.32Å; V178-I180 PolarHBondContact O-N 2.79Å; V178-Y181 PolarHBondContact O-N 3.38Å; V178-L182 HydrophobicContact CG2-CB 4.39Å; V178-L182 HydrophobicContact CG2-CD1 3.97Å; V178-L182 HydrophobicContact CG2-CG 4.42Å; V178-L182 PolarHBondContact O-N 3.01Å; V178-L189 HydrophobicContact CG1-CD1 3.82Å; V178-L189 HydrophobicContact CG2-CD1 3.9Å
179	S	94.8	Very high	96.3	Very high	58 Å²	58	35.1 Å²	35.1	41%	0.406	19%	0.185	S	C	.	.	H	α-helix	trans	-64.7	-32.6	174.8	62.3	0	0	0	0	113.3	E176 T177 G183 L184	E176-S179 WeakPolarHBondContact O-CB 3.49Å; E176-S179 PolarHBondContact O-N 2.85Å; E176-S179 VanDerWaalsContact O-N 3.08Å; E176-S179 PolarHBondContact O-OG 3.33Å; T177-S179 PolarHBondContact O-N 3.05Å; S179-G183 WeakPolarHBondContact O-CA 3.5Å; S179-G183 PolarHBondContact O-N 3.19Å; S179-L184 VanDerWaalsContact CA-O 3.3Å; S179-L184 WeakPolarHBondContact CA-O 3.46Å
180	I	92.4	Very high	96.4	Very high	112 Å²	112	35.9 Å²	35.9	57%	0.574	19%	0.189	S	C	*	.	H	α-helix	trans	-70.4	-42.8	176.7	-52.2	172.2	0	0	0	110	T177 V178 L271	T177-I180 HydrophobicContact CG2-CD1 4.34Å; T177-I180 WeakPolarHBondContact O-CB 3.42Å; T177-I180 PolarHBondContact O-N 3.41Å; V178-I180 VanDerWaalsContact C-N 3.32Å; V178-I180 PolarHBondContact O-N 2.79Å; I180-L271 WeakPolarHBondContact O-CD1 3.26Å
181	Y	92.4	Very high	96.4	Very high	41 Å²	41	32 Å²	32	16%	0.161	18%	0.176	C	C	.	.	H	α-helix	trans	-88.2	-33	-171	-67	-74.2	0	0	0	114.5	D159 G160 F161 T177 V178 L271 K284 A317	D159-Y181 VanDerWaalsContact CA-OH 3.29Å; D159-Y181 WeakPolarHBondContact CA-OH 3.49Å; D159-Y181 VanDerWaalsContact OD1-CE1 3.27Å; D159-Y181 WeakPolarHBondContact OD1-CE1 3.34Å; D159-Y181 PolarHBondContact OD1-OH 3.37Å; G160-Y181 VanDerWaalsContact CA-CE2 3.45Å; G160-Y181 VanDerWaalsContact N-CZ 3.25Å; G160-Y181 PolarHBondContact N-OH 3.04Å; G160-Y181 WeakPolarHBondContact O-CE2 3.17Å; F161-Y181 HydrophobicContact CD1-CD2 4.22Å; F161-Y181 HydrophobicContact CD1-CG 4.33Å; T177-Y181 VanDerWaalsContact O-CD2 3.28Å; T177-Y181 WeakPolarHBondContact O-CD2 3.35Å; T177-Y181 PolarHBondContact O-N 3.25Å; V178-Y181 PolarHBondContact O-N 3.38Å; Y181-L271 WeakPolarHBondContact O-CD1 3.32Å; Y181-K284 WeakPolarHBondContact O-CD 3.19Å; Y181-K284 WeakPolarHBondContact O-CE 3.38Å; Y181-K284 PolarHBondContact O-NZ 2.88Å; Y181-A317 HydrophobicContact CD1-CB 3.84Å; Y181-A317 HydrophobicContact CG-CB 4.31Å
182	L	93.6	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-120.5	-17.3	-179	-66.5	-180	0	0	0	114.1	F161 V178 L184 M267 S269 T270 K284 I286	F161-L182 HydrophobicContact CE1-CD1 4.28Å; F161-L182 HydrophobicContact CE1-CG 4.37Å; F161-L182 HydrophobicContact CZ-CD1 3.87Å; F161-L182 HydrophobicContact CZ-CG 4.45Å; V178-L182 HydrophobicContact CG2-CB 4.39Å; V178-L182 HydrophobicContact CG2-CD1 3.97Å; V178-L182 HydrophobicContact CG2-CG 4.42Å; V178-L182 PolarHBondContact O-N 3.01Å; L182-L184 HydrophobicContact CB-CB 4.43Å; L182-L184 HydrophobicContact CB-CD1 4.2Å; L182-L184 HydrophobicContact CB-CG 4.07Å; L182-L184 HydrophobicContact CD1-CD1 4.16Å; L182-L184 PolarHBondContact O-N 2.98Å; L182-M267 HydrophobicContact CD1-CB 3.92Å; L182-M267 HydrophobicContact CD1-CE 4.09Å; L182-M267 HydrophobicContact CD1-SD 4.24Å; L182-M267 HydrophobicContact CD2-CB 4.28Å; L182-S269 CarbonylContact O-C 3.56Å; L182-S269 WeakPolarHBondContact O-CA 3.26Å; L182-S269 PolarHBondContact O-OG 2.9Å; L182-T270 PolarHBondContact O-N 2.8Å; L182-T270 PolarHBondContact O-OG1 3.42Å; L182-K284 HydrophobicContact CD2-CB 4.2Å; L182-K284 HydrophobicContact CD2-CD 4.31Å; L182-I286 HydrophobicContact CD2-CD1 3.96Å; L182-I286 HydrophobicContact CD2-CG1 4.37Å
183	G	94	Very high	96.4	Very high	29 Å²	29	33.5 Å²	33.5	30%	0.299	19%	0.187	S	C	.	.			trans	74.3	12	-173.1	0	0	0	0	0	114.4	S179 T270	S179-G183 WeakPolarHBondContact O-CA 3.5Å; S179-G183 PolarHBondContact O-N 3.19Å; G183-T270 VanDerWaalsContact CA-OG1 3.27Å; G183-T270 WeakPolarHBondContact CA-OG1 3.12Å; G183-T270 PolarHBondContact O-OG1 3.02Å
184	L	95.8	Very high	96.4	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.042	18%	0.175	C	C	.	.			trans	-93.2	151.7	177.4	-62.6	177.9	0	0	0	110.9	S179 L182 L189 Y197 K268 T270	S179-L184 VanDerWaalsContact CA-O 3.3Å; S179-L184 WeakPolarHBondContact CA-O 3.46Å; L182-L184 HydrophobicContact CB-CB 4.43Å; L182-L184 HydrophobicContact CB-CD1 4.2Å; L182-L184 HydrophobicContact CB-CG 4.07Å; L182-L184 HydrophobicContact CD1-CD1 4.16Å; L182-L184 PolarHBondContact O-N 2.98Å; L184-L189 HydrophobicContact CB-CD1 3.77Å; L184-L189 HydrophobicContact CB-CG 4.36Å; L184-L189 HydrophobicContact CD1-CD1 4.35Å; L184-L189 HydrophobicContact CD1-CD2 4.21Å; L184-Y197 HydrophobicContact CD1-CD1 3.72Å; L184-Y197 HydrophobicContact CD1-CE1 4.3Å; L184-K268 WeakPolarHBondContact CD1-O 3.38Å; L184-T270 HydrophobicContact CD2-CG2 3.88Å
185	S	96.6	Very high	96.4	Very high	56 Å²	56	32.1 Å²	32.1	39%	0.392	18%	0.182	S	C	.	.			trans	-90.2	136	-179.4	178.1	0	0	0	0	112.5	V187 E188 L189	S185-V187 PolarHBondContact O-N 2.83Å; S185-V187 PolarHBondContact OG-N 2.95Å; S185-E188 WeakPolarHBondContact O-CB 3.42Å; S185-E188 PolarHBondContact O-N 2.88Å; S185-L189 WeakPolarHBondContact O-CG 3.25Å; S185-L189 PolarHBondContact O-N 3Å
186	Q	97.6	Very high	96.4	Very high	35 Å²	35	36.3 Å²	36.3	16%	0.164	20%	0.204	C	C	.	.	H	α-helix	trans	-52.1	-39.8	169.3	176.3	-172.2	58.9	0	0	112	I174 E188 L189 T190	I174-Q186 HydrophobicContact CG2-CB 4.47Å; I174-Q186 HydrophobicContact CG2-CG 4.13Å; I174-Q186 WeakPolarHBondContact O-CG 3.5Å; I174-Q186 PolarHBondContact O-NE2 3.32Å; Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 2.92Å; Q186-L189 PolarHBondContact O-N 2.84Å; Q186-T190 VanDerWaalsContact O-CB 3.31Å; Q186-T190 WeakPolarHBondContact O-CB 3.28Å; Q186-T190 PolarHBondContact O-N 2.81Å; Q186-T190 PolarHBondContact O-OG1 2.9Å
187	V	97.5	Very high	96.5	Very high	22 Å²	22	31.9 Å²	31.9	13%	0.133	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-29.8	178.6	168.7	0	0	0	0	112.2	L80 I84 L88 R95 L96 S185	L80-V187 HydrophobicContact CD1-CG2 4.14Å; I84-V187 HydrophobicContact CG2-CG2 3.93Å; L88-V187 HydrophobicContact CD2-CG1 3.6Å; R95-V187 PolarHBondContact NH2-O 3.28Å; L96-V187 HydrophobicContact CD1-CG1 4.31Å; S185-V187 PolarHBondContact O-N 2.83Å; S185-V187 PolarHBondContact OG-N 2.95Å
188	E	97	Very high	96.5	Very high	83 Å²	83	31.4 Å²	31.4	39%	0.388	18%	0.18	S	C	.	.	H	α-helix	trans	-80.3	-37.6	177.4	-168.5	-160.4	150.4	0	0	111.9	R95 S185 Q186 S192 Y197	R95-E188 PolarHBondContact NH1-O 2.88Å; S185-E188 WeakPolarHBondContact O-CB 3.42Å; S185-E188 PolarHBondContact O-N 2.88Å; Q186-E188 VanDerWaalsContact C-N 3.31Å; Q186-E188 PolarHBondContact O-N 2.92Å; E188-S192 PolarHBondContact O-OG 2.87Å; E188-Y197 PolarHBondContact O-OH 2.7Å; E188-Y197 PolarHBondContact OE1-OH 2.82Å
189	L	98.2	Very high	96.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-78.1	-40.3	-177.8	-72.8	164.1	0	0	0	112.8	F171 I174 V178 L184 S185 Q186 G191 S192 Y197	F171-L189 HydrophobicContact CD2-CB 4.33Å; F171-L189 HydrophobicContact CD2-CD2 4.4Å; F171-L189 WeakPolarHBondContact CD2-O 3.2Å; F171-L189 HydrophobicContact CE2-CD2 3.84Å; F171-L189 HydrophobicContact CZ-CD2 4.29Å; I174-L189 HydrophobicContact CD1-CD1 4.1Å; I174-L189 HydrophobicContact CG2-CB 3.93Å; I174-L189 HydrophobicContact CG2-CD1 4.47Å; V178-L189 HydrophobicContact CG1-CD1 3.82Å; V178-L189 HydrophobicContact CG2-CD1 3.9Å; L184-L189 HydrophobicContact CB-CD1 3.77Å; L184-L189 HydrophobicContact CB-CG 4.36Å; L184-L189 HydrophobicContact CD1-CD1 4.35Å; L184-L189 HydrophobicContact CD1-CD2 4.21Å; S185-L189 WeakPolarHBondContact O-CG 3.25Å; S185-L189 PolarHBondContact O-N 3Å; Q186-L189 PolarHBondContact O-N 2.84Å; L189-G191 PolarHBondContact O-N 3.3Å; L189-S192 VanDerWaalsContact O-CB 3.27Å; L189-S192 WeakPolarHBondContact O-CB 3.32Å; L189-S192 PolarHBondContact O-N 3.05Å; L189-Y197 HydrophobicContact CD2-CD1 3.66Å; L189-Y197 HydrophobicContact CD2-CD2 3.64Å; L189-Y197 HydrophobicContact CD2-CE1 3.71Å; L189-Y197 HydrophobicContact CD2-CE2 3.72Å; L189-Y197 HydrophobicContact CD2-CG 3.62Å
190	T	98.5	Very high	96.6	Very high	15 Å²	15	35 Å²	35	9%	0.092	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	124.1	-174.9	-59.1	0	0	0	0	111.6	R95 L96 Q186 S192	R95-T190 WeakPolarHBondContact CD-O 3.31Å; R95-T190 WeakPolarHBondContact CG-O 3.14Å; L96-T190 HydrophobicContact CD2-CG2 3.8Å; Q186-T190 VanDerWaalsContact O-CB 3.31Å; Q186-T190 WeakPolarHBondContact O-CB 3.28Å; Q186-T190 PolarHBondContact O-N 2.81Å; Q186-T190 PolarHBondContact O-OG1 2.9Å; T190-S192 VanDerWaalsContact C-N 3.28Å; T190-S192 PolarHBondContact O-N 3.5Å
191	G	97.9	Very high	96.7	Very high	12 Å²	12	32.4 Å²	32.4	12%	0.124	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-9.3	-176.4	0	0	0	0	0	116.2	S99 F171 L189	S99-G191 WeakPolarHBondContact OG-CA 3.4Å; S99-G191 PolarHBondContact OG-N 2.85Å; F171-G191 PolarHBondContact O-N 3.47Å; L189-G191 PolarHBondContact O-N 3.3Å
192	S	98.2	Very high	96.9	Very high	17 Å²	17	30.6 Å²	30.6	12%	0.119	19%	0.192	C	C	.	.	S	Bend	trans	-80	165.1	173.2	-53.1	0	0	0	0	110.9	R95 K170 F171 E188 L189 T190	R95-S192 PolarHBondContact NH1-OG 3.39Å; K170-S192 VanDerWaalsContact CA-O 3.29Å; K170-S192 WeakPolarHBondContact CA-O 3.43Å; F171-S192 PolarHBondContact N-O 2.96Å; F171-S192 VanDerWaalsContact N-O 3.15Å; E188-S192 PolarHBondContact O-OG 2.87Å; L189-S192 VanDerWaalsContact O-CB 3.27Å; L189-S192 WeakPolarHBondContact O-CB 3.32Å; L189-S192 PolarHBondContact O-N 3.05Å; T190-S192 VanDerWaalsContact C-N 3.28Å; T190-S192 PolarHBondContact O-N 3.5Å
193	S	97.7	Very high	97	Very high	23 Å²	23	32.9 Å²	32.9	16%	0.161	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-82.6	144.1	175.2	-166.9	0	0	0	0	110.6	F195 D196 Y197	S193-F195 PolarHBondContact O-N 3.37Å; S193-F195 WeakPolarHBondContact OG-CD2 3.28Å; S193-D196 WeakPolarHBondContact CA-OD2 3.36Å; S193-D196 VanDerWaalsContact CB-OD2 3.25Å; S193-D196 WeakPolarHBondContact CB-OD2 3.5Å; S193-D196 PolarHBondContact N-OD2 2.96Å; S193-D196 WeakPolarHBondContact O-CB 3.48Å; S193-D196 PolarHBondContact O-N 2.79Å; S193-Y197 WeakPolarHBondContact O-CD2 3.34Å
194	V	98.1	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-61.6	-36	174.2	72.5	0	0	0	0	111.4	L165 G169 F171 D196 Y197 V198 M206	L165-V194 HydrophobicContact CD1-CB 4.08Å; L165-V194 HydrophobicContact CD1-CG1 4Å; L165-V194 HydrophobicContact CD1-CG2 4.14Å; L165-V194 HydrophobicContact CD2-CB 4.09Å; L165-V194 HydrophobicContact CD2-CG2 4.41Å; G169-V194 WeakPolarHBondContact O-CB 3.44Å; G169-V194 WeakPolarHBondContact O-CG1 3.15Å; G169-V194 PolarHBondContact O-N 3.4Å; F171-V194 HydrophobicContact CE1-CG2 4.39Å; F171-V194 HydrophobicContact CE2-CB 4.12Å; F171-V194 HydrophobicContact CE2-CG2 4.18Å; F171-V194 HydrophobicContact CZ-CB 4.13Å; F171-V194 HydrophobicContact CZ-CG2 3.73Å; V194-D196 PolarHBondContact O-N 2.86Å; V194-D196 VanDerWaalsContact O-N 3.15Å; V194-Y197 PolarHBondContact O-N 2.62Å; V194-V198 HydrophobicContact CG2-CG2 3.84Å; V194-V198 WeakPolarHBondContact O-CG2 3.48Å; V194-V198 PolarHBondContact O-N 2.9Å; V194-M206 HydrophobicContact CB-CE 4.29Å; V194-M206 HydrophobicContact CG1-CE 3.75Å; V194-M206 HydrophobicContact CG1-CG 4.36Å; V194-M206 HydrophobicContact CG2-CE 3.65Å
195	F	97.7	Very high	97	Very high	36 Å²	36	38.4 Å²	38.4	16%	0.158	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.2	177.8	-58.1	-73.5	0	0	0	113.5	S193 Y197 H203 M206 A207 M212	S193-F195 PolarHBondContact O-N 3.37Å; S193-F195 WeakPolarHBondContact OG-CD2 3.28Å; F195-Y197 PolarHBondContact O-N 2.99Å; F195-H203 HydrophobicContact CD1-CB 4.15Å; F195-H203 AromaticContact CD1-CG 3.89Å; F195-H203 WeakPolarHBondContact CE1-O 3.35Å; F195-H203 PolarHBondContact O-CE1 3.15Å; F195-H203 PolarHBondContact O-NE2 2.89Å; F195-M206 HydrophobicContact CE1-CB 4.01Å; F195-M206 HydrophobicContact CE1-CG 3.92Å; F195-M206 HydrophobicContact CZ-CG 4.38Å; F195-A207 HydrophobicContact CE1-CB 4.24Å; F195-A207 HydrophobicContact CZ-CB 4.07Å; F195-M212 HydrophobicContact CE2-CE 4.47Å; F195-M212 HydrophobicContact CE2-SD 3.88Å; F195-M212 HydrophobicContact CZ-SD 3.81Å
196	D	97.6	Very high	97	Very high	87 Å²	87	35.7 Å²	35.7	47%	0.465	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-67.7	-19.9	172.2	-58.7	-45.8	0	0	0	112	S193 V194 K268	S193-D196 WeakPolarHBondContact CA-OD2 3.36Å; S193-D196 VanDerWaalsContact CB-OD2 3.25Å; S193-D196 WeakPolarHBondContact CB-OD2 3.5Å; S193-D196 PolarHBondContact N-OD2 2.96Å; S193-D196 WeakPolarHBondContact O-CB 3.48Å; S193-D196 PolarHBondContact O-N 2.79Å; V194-D196 PolarHBondContact O-N 2.86Å; V194-D196 VanDerWaalsContact O-N 3.15Å; D196-K268 WeakPolarHBondContact O-CE 3.41Å; D196-K268 PolarHBondContact O-NZ 3.08Å
197	Y	97.7	Very high	96.8	Very high	23 Å²	23	34.1 Å²	34.1	9%	0.09	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-13.8	-174.5	-59.9	-89.1	0	0	0	114.5	F171 L184 E188 L189 S193 V194 F195 M267 K268	F171-Y197 HydrophobicContact CE2-CD2 4.31Å; L184-Y197 HydrophobicContact CD1-CD1 3.72Å; L184-Y197 HydrophobicContact CD1-CE1 4.3Å; E188-Y197 PolarHBondContact O-OH 2.7Å; E188-Y197 PolarHBondContact OE1-OH 2.82Å; L189-Y197 HydrophobicContact CD2-CD1 3.66Å; L189-Y197 HydrophobicContact CD2-CD2 3.64Å; L189-Y197 HydrophobicContact CD2-CE1 3.71Å; L189-Y197 HydrophobicContact CD2-CE2 3.72Å; L189-Y197 HydrophobicContact CD2-CG 3.62Å; S193-Y197 WeakPolarHBondContact O-CD2 3.34Å; V194-Y197 PolarHBondContact O-N 2.62Å; F195-Y197 PolarHBondContact O-N 2.99Å; Y197-M267 CarbonylContact O-C 3.49Å; Y197-M267 WeakPolarHBondContact O-CA 3.43Å; Y197-K268 WeakPolarHBondContact O-CG 3.36Å; Y197-K268 PolarHBondContact O-N 3.41Å
198	V	97.6	Very high	96.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-83.7	145.3	171.9	-178.2	0	0	0	0	110.3	V194 D202 H203 I265 M267	V194-V198 HydrophobicContact CG2-CG2 3.84Å; V194-V198 WeakPolarHBondContact O-CG2 3.48Å; V194-V198 PolarHBondContact O-N 2.9Å; V198-D202 HydrophobicContact CG1-CB 3.85Å; V198-H203 PolarHBondContact O-NE2 2.82Å; V198-I265 HydrophobicContact CG1-CB 4.29Å; V198-I265 HydrophobicContact CG1-CD1 4.23Å; V198-I265 HydrophobicContact CG2-CD1 3.66Å; V198-M267 HydrophobicContact CG2-CG 4.49Å
199	H	96.2	Very high	96.4	Very high	49 Å²	49	38.1 Å²	38.1	23%	0.227	22%	0.218	C	C	.	.			trans	-59.5	134.4	173.6	179.9	-101.5	0	0	0	111.1	G201 D202 H203 R266 Y283	H199-G201 PolarHBondContact ND1-N 3.03Å; H199-G201 PolarHBondContact O-N 2.89Å; H199-G201 VanDerWaalsContact O-N 3.14Å; H199-D202 IonicContact CG-OD1 3.05Å; H199-D202 IonicContact ND1-OD1 3.98Å; H199-D202 PolarHBondContact ND1-OD1 2.56Å; H199-D202 VanDerWaalsContact ND1-OD1 3.12Å; H199-D202 PolarHBondContact O-N 3.12Å; H199-H203 PolarHBondContact O-CD2 2.9Å; H199-R266 HydrophobicContact CB-CB 3.62Å; H199-R266 WeakPolarHBondContact CB-O 3.38Å; H199-R266 PolarHBondContact N-O 3.43Å; H199-Y283 VanDerWaalsContact CA-CE1 3.46Å; H199-Y283 HydrophobicContact CB-CD1 3.79Å; H199-Y283 HydrophobicContact CB-CE1 3.68Å; H199-Y283 HydrophobicContact CB-CG 4.42Å; H199-Y283 AromaticContact CD2-CE2 3.82Å; H199-Y283 AromaticContact CD2-CZ 3.95Å
200	P	96.1	Very high	96	Very high	84 Å²	84	38.5 Å²	38.5	55%	0.545	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-59.6	-30.3	-172.6	21.8	-33.9	0	0	0	114.3	D202 H203	P200-D202 PolarHBondContact O-N 2.97Å; P200-H203 PolarHBondContact O-N 3.18Å
201	G	94.6	Very high	95.4	Very high	59 Å²	59	38.4 Å²	38.4	61%	0.608	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-65.6	-15	174.6	0	0	0	0	0	114.6	H199	H199-G201 PolarHBondContact ND1-N 3.03Å; H199-G201 PolarHBondContact O-N 2.89Å; H199-G201 VanDerWaalsContact O-N 3.14Å
202	D	96.2	Very high	94.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.011	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-109.5	2.3	-173.8	-46.8	10.5	0	0	0	110.4	V198 H199 P200 V204 M206 I265 R266	V198-D202 HydrophobicContact CG1-CB 3.85Å; H199-D202 IonicContact CG-OD1 3.05Å; H199-D202 IonicContact ND1-OD1 3.98Å; H199-D202 PolarHBondContact ND1-OD1 2.56Å; H199-D202 VanDerWaalsContact ND1-OD1 3.12Å; H199-D202 PolarHBondContact O-N 3.12Å; P200-D202 PolarHBondContact O-N 2.97Å; D202-V204 PolarHBondContact O-N 3.04Å; D202-M206 WeakPolarHBondContact O-CB 3.26Å; D202-M206 PolarHBondContact O-N 3.11Å; D202-I265 HydrophobicContact CB-CB 4.5Å; D202-I265 HydrophobicContact CB-CG2 4.34Å; D202-R266 IonicContact OD1-CZ 2.71Å; D202-R266 VanDerWaalsContact OD1-CZ 3.24Å; D202-R266 IonicContact OD1-NE 3.24Å; D202-R266 PolarHBondContact OD1-NE 2.99Å; D202-R266 IonicContact OD1-NH2 2.7Å; D202-R266 PolarHBondContact OD1-NH2 2.87Å; D202-R266 VanDerWaalsContact OD2-CB 3.27Å; D202-R266 WeakPolarHBondContact OD2-CB 3.33Å; D202-R266 WeakPolarHBondContact OD2-CG 3.48Å; D202-R266 IonicContact OD2-CZ 2.83Å; D202-R266 PolarHBondContact OD2-N 3.02Å; D202-R266 IonicContact OD2-NE 3.96Å; D202-R266 PolarHBondContact OD2-NE 3.46Å; D202-R266 VanDerWaalsContact OD2-NE 3.08Å; D202-R266 IonicContact OD2-NH2 2.82Å
203	H	96.7	Very high	92.8	Very high	48 Å²	48	48.7 Å²	48.7	22%	0.222	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-35.1	-176.7	-77.3	-164.5	0	0	0	113.1	F195 V198 H199 P200 A207	F195-H203 HydrophobicContact CD1-CB 4.15Å; F195-H203 AromaticContact CD1-CG 3.89Å; F195-H203 WeakPolarHBondContact CE1-O 3.35Å; F195-H203 PolarHBondContact O-CE1 3.15Å; F195-H203 PolarHBondContact O-NE2 2.89Å; V198-H203 PolarHBondContact O-NE2 2.82Å; H199-H203 PolarHBondContact O-CD2 2.9Å; P200-H203 PolarHBondContact O-N 3.18Å; H203-A207 WeakPolarHBondContact O-CB 3.43Å; H203-A207 PolarHBondContact O-N 2.95Å
204	V	95.3	Very high	91	Very high	102 Å²	102	51.1 Å²	51.1	62%	0.618	27%	0.274	S	S	*	.	H	α-helix	trans	-68.3	-50	179.4	-177.9	0	0	0	0	110.4	D202 M206 A207 E208 L214	D202-V204 PolarHBondContact O-N 3.04Å; V204-M206 PolarHBondContact O-N 2.95Å; V204-A207 PolarHBondContact O-N 2.82Å; V204-E208 PolarHBondContact O-N 3.11Å; V204-L214 HydrophobicContact CG2-CD1 4.27Å
205	E	94.8	Very high	88.8	Confident	51 Å²	51	56.5 Å²	56.5	24%	0.238	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-48.7	174.8	-178.3	-175.8	156.2	0	0	111.2	A207 E208 Q209 K388	E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 2.91Å; E205-E208 PolarHBondContact O-N 3.34Å; E205-Q209 HydrophobicContact CG-CG 4.39Å; E205-Q209 WeakPolarHBondContact O-CB 3.4Å; E205-Q209 WeakPolarHBondContact O-CG 3.12Å; E205-Q209 PolarHBondContact O-N 2.73Å; E205-K388 IonicContact OE1-NZ 2.65Å; E205-K388 PolarHBondContact OE1-NZ 2.75Å; E205-K388 WeakPolarHBondContact OE2-CE 3.33Å; E205-K388 IonicContact OE2-NZ 2.68Å; E205-K388 PolarHBondContact OE2-NZ 3.07Å
206	M	95	Very high	86.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-39.1	178.3	-175.6	60.1	175.5	0	0	112.4	L165 V194 F195 D202 V204 L210 F263 I265 I288	L165-M206 HydrophobicContact CD1-CE 3.52Å; V194-M206 HydrophobicContact CB-CE 4.29Å; V194-M206 HydrophobicContact CG1-CE 3.75Å; V194-M206 HydrophobicContact CG1-CG 4.36Å; V194-M206 HydrophobicContact CG2-CE 3.65Å; F195-M206 HydrophobicContact CE1-CB 4.01Å; F195-M206 HydrophobicContact CE1-CG 3.92Å; F195-M206 HydrophobicContact CZ-CG 4.38Å; D202-M206 WeakPolarHBondContact O-CB 3.26Å; D202-M206 PolarHBondContact O-N 3.11Å; V204-M206 PolarHBondContact O-N 2.95Å; M206-L210 HydrophobicContact CE-CD1 3.58Å; M206-L210 HydrophobicContact CG-CD1 4.33Å; M206-L210 WeakPolarHBondContact O-CD1 3.49Å; M206-L210 PolarHBondContact O-N 2.83Å; M206-L210 HydrophobicContact SD-CD1 3.77Å; M206-F263 HydrophobicContact SD-CE2 3.57Å; M206-F263 VanDerWaalsContact SD-CE2 3.57Å; M206-F263 HydrophobicContact SD-CZ 3.61Å; M206-I265 HydrophobicContact SD-CD1 4.21Å; M206-I288 HydrophobicContact CE-CD1 4.48Å; M206-I288 HydrophobicContact SD-CD1 4.49Å
207	A	94.3	Very high	83.1	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.017	36%	0.36	C	S	.	.	H	α-helix	trans	-68.5	-41.9	176.9	0	0	0	0	0	112.6	F195 H203 V204 E205 L210 G211 M212 L214	F195-A207 HydrophobicContact CE1-CB 4.24Å; F195-A207 HydrophobicContact CZ-CB 4.07Å; H203-A207 WeakPolarHBondContact O-CB 3.43Å; H203-A207 PolarHBondContact O-N 2.95Å; V204-A207 PolarHBondContact O-N 2.82Å; E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 2.91Å; A207-L210 CarbonylContact O-C 3.55Å; A207-L210 PolarHBondContact O-N 2.82Å; A207-G211 PolarHBondContact O-N 2.79Å; A207-G211 VanDerWaalsContact O-N 3.15Å; A207-M212 HydrophobicContact CB-CB 4.1Å; A207-M212 WeakPolarHBondContact O-CB 3.4Å; A207-M212 PolarHBondContact O-N 3.4Å; A207-L214 HydrophobicContact CB-CD1 3.79Å; A207-L214 HydrophobicContact CB-CD2 3.75Å; A207-L214 HydrophobicContact CB-CG 3.49Å; A207-L214 VanDerWaalsContact CB-CG 3.49Å
208	E	92.3	Very high	80.6	Confident	141 Å²	141	72.1 Å²	72.1	66%	0.659	40%	0.402	S	S	*	.	H	α-helix	trans	-59.8	-47.6	175.1	-175.9	-180	171.6	0	0	111.4	V204 E205 L210 G211	V204-E208 PolarHBondContact O-N 3.11Å; E205-E208 PolarHBondContact O-N 3.34Å; E208-L210 PolarHBondContact O-N 2.84Å; E208-G211 PolarHBondContact O-N 3.18Å
209	Q	92.8	Very high	77.6	Confident	47 Å²	47	75.5 Å²	75.5	22%	0.22	44%	0.437	C	S	.	.	H	α-helix	trans	-60.2	-30.3	177.4	-64.2	-76.4	-13	0	0	112.2	E205 R261 F263	E205-Q209 HydrophobicContact CG-CG 4.39Å; E205-Q209 WeakPolarHBondContact O-CB 3.4Å; E205-Q209 WeakPolarHBondContact O-CG 3.12Å; E205-Q209 PolarHBondContact O-N 2.73Å; Q209-R261 WeakPolarHBondContact O-CD 3.49Å; Q209-R261 PolarHBondContact O-NE 3.39Å; Q209-F263 HydrophobicContact CB-CD1 4.07Å; Q209-F263 HydrophobicContact CB-CE1 3.65Å; Q209-F263 HydrophobicContact CB-CE2 4.2Å; Q209-F263 HydrophobicContact CB-CZ 3.73Å; Q209-F263 VanDerWaalsContact CD-CD1 3.49Å; Q209-F263 HydrophobicContact CG-CB 4.4Å; Q209-F263 HydrophobicContact CG-CD1 3.68Å; Q209-F263 HydrophobicContact CG-CD2 3.9Å; Q209-F263 HydrophobicContact CG-CE1 3.79Å; Q209-F263 HydrophobicContact CG-CE2 4.01Å; Q209-F263 HydrophobicContact CG-CG 3.75Å; Q209-F263 HydrophobicContact CG-CZ 3.96Å
210	L	91	Very high	74.8	Confident	8 Å²	8	81.1 Å²	81.1	4%	0.042	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.2	173.6	-88.7	80.7	0	0	0	114.7	L165 M206 A207 E208 M212 L311	L165-L210 HydrophobicContact CB-CD2 4.37Å; L165-L210 HydrophobicContact CD1-CD1 4.3Å; L165-L210 HydrophobicContact CD1-CD2 3.91Å; M206-L210 HydrophobicContact CE-CD1 3.58Å; M206-L210 HydrophobicContact CG-CD1 4.33Å; M206-L210 WeakPolarHBondContact O-CD1 3.49Å; M206-L210 PolarHBondContact O-N 2.83Å; M206-L210 HydrophobicContact SD-CD1 3.77Å; A207-L210 CarbonylContact O-C 3.55Å; A207-L210 PolarHBondContact O-N 2.82Å; E208-L210 PolarHBondContact O-N 2.84Å; L210-M212 HydrophobicContact CB-CE 3.98Å; L210-M212 HydrophobicContact CB-CG 4.01Å; L210-M212 HydrophobicContact CB-SD 3.99Å; L210-M212 HydrophobicContact CD2-CE 3.43Å; L210-M212 VanDerWaalsContact CD2-CE 3.43Å; L210-M212 HydrophobicContact CD2-SD 4.25Å; L210-M212 HydrophobicContact CG-CE 4.34Å; L210-L311 HydrophobicContact CD1-CD2 3.56Å; L210-L311 HydrophobicContact CG-CB 4.26Å; L210-L311 HydrophobicContact CG-CD2 4.14Å
211	G	85.2	Confident	72	Confident	14 Å²	14	85.9 Å²	85.9	14%	0.144	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	24.8	-175.5	0	0	0	0	0	114.1	A207 E208 S251	A207-G211 PolarHBondContact O-N 2.79Å; A207-G211 VanDerWaalsContact O-N 3.15Å; E208-G211 PolarHBondContact O-N 3.18Å; G211-S251 PolarHBondContact O-OG 3.03Å
212	M	80.7	Confident	69.2	Low	41 Å²	41	87.3 Å²	87.3	20%	0.202	49%	0.489	C	S	.	.			trans	-94.1	137.6	179.3	-62.9	169.5	173.1	0	0	111.6	Q167 F195 A207 L210	Q167-M212 WeakPolarHBondContact O-CE 3.3Å; F195-M212 HydrophobicContact CE2-CE 4.47Å; F195-M212 HydrophobicContact CE2-SD 3.88Å; F195-M212 HydrophobicContact CZ-SD 3.81Å; A207-M212 HydrophobicContact CB-CB 4.1Å; A207-M212 WeakPolarHBondContact O-CB 3.4Å; A207-M212 PolarHBondContact O-N 3.4Å; L210-M212 HydrophobicContact CB-CE 3.98Å; L210-M212 HydrophobicContact CB-CG 4.01Å; L210-M212 HydrophobicContact CB-SD 3.99Å; L210-M212 HydrophobicContact CD2-CE 3.43Å; L210-M212 VanDerWaalsContact CD2-CE 3.43Å; L210-M212 HydrophobicContact CD2-SD 4.25Å; L210-M212 HydrophobicContact CG-CE 4.34Å
213	K	61.3	Low	66.3	Low	203 Å²	203	96.2 Å²	96.2	88%	0.883	53%	0.531	S	S	*	.			trans	-89.3	111.6	159	-67.5	-176.3	178.7	-179.3	0	108.4
214	L	59.7	Low	63.4	Low	74 Å²	74	96.9 Å²	96.9	39%	0.387	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-63.3	144.8	170.6	-70.6	175.4	0	0	0	110.1	V204 A207	V204-L214 HydrophobicContact CG2-CD1 4.27Å; A207-L214 HydrophobicContact CB-CD1 3.79Å; A207-L214 HydrophobicContact CB-CD2 3.75Å; A207-L214 HydrophobicContact CB-CG 3.49Å; A207-L214 VanDerWaalsContact CB-CG 3.49Å
215	P	51.8	Low	60.7	Low	113 Å²	113	98.7 Å²	98.7	73%	0.734	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-59.2	130	169.2	-21.9	33.3	0	0	0	110.3	G217	P215-G217 PolarHBondContact O-N 2.94Å
216	P	41.5	Very low	57.8	Low	137 Å²	137	100.3 Å²	100.3	89%	0.89	58%	0.584	S	S	*	*	S	Bend	trans	-67.1	120.8	179.2	26.2	-33.2	0	0	0	110.6
217	G	35.3	Very low	55.4	Low	79 Å²	79	109.4 Å²	109.4	81%	0.814	63%	0.626	S	S	*	*			trans	109.9	76.8	167.2	0	0	0	0	0	116.6	P215	P215-G217 PolarHBondContact O-N 2.94Å
218	R	44	Very low	52.8	Low	258 Å²	258	117.4 Å²	117.4	97%	0.974	67%	0.669	S	S	*	*	S	Bend	trans	-151.6	26	155.2	-137.7	176.9	-165.1	-118.6	-1	115.7
219	G	35.4	Very low	50.8	Low	73 Å²	73	114.5 Å²	114.5	75%	0.753	68%	0.677	S	S	*	*	S	Bend	trans	-149.2	27.3	-167.5	0	0	0	0	0	117.1
220	L	37.4	Very low	48.3	Very low	167 Å²	167	116.7 Å²	116.7	87%	0.874	70%	0.703	S	S	*	*			trans	-143	104.6	172.7	-144.1	82	0	0	0	111.4
221	L	37.3	Very low	46.3	Very low	185 Å²	185	122.1 Å²	122.1	97%	0.969	74%	0.742	S	S	*	*			trans	-152.1	68.5	171	-79.9	-176	0	0	0	110.6
222	S	35.4	Very low	44.4	Very low	89 Å²	89	127 Å²	127	62%	0.622	77%	0.773	S	S	*	*			trans	-162.9	124.9	154	-160.4	0	0	0	0	110.1
223	Q	35.8	Very low	42.7	Very low	189 Å²	189	129.1 Å²	129.1	88%	0.883	80%	0.798	S	S	*	*			trans	56	140.4	166.2	-63.3	149.4	-73	0	0	117.7
224	G	34.5	Very low	42	Very low	62 Å²	62	124.9 Å²	124.9	64%	0.639	79%	0.793	S	S	*	*			cis	-168.5	150.8	-7.4	0	0	0	0	0	112.4
225	T	38.8	Very low	41.1	Very low	140 Å²	140	127.3 Å²	127.3	86%	0.859	82%	0.817	S	S	*	*			trans	34.2	118.3	140.2	52	0	0	0	0	121.6
226	A	34.7	Very low	40.7	Very low	85 Å²	85	127.4 Å²	127.4	70%	0.702	82%	0.82	S	S	*	*			trans	67.4	165.2	150.2	0	0	0	0	0	117.4
227	E	43.4	Very low	40.8	Very low	190 Å²	190	126.3 Å²	126.3	89%	0.888	82%	0.816	S	S	*	*			cis	-138.4	176	0.8	-11.8	-144.8	104.2	0	0	112.3
228	D	39.7	Very low	41.2	Very low	171 Å²	171	132.2 Å²	132.2	91%	0.914	82%	0.822	S	S	*	*			trans	-73.8	148.5	-172.8	-78.6	-68.5	0	0	0	115.7
229	G	50.9	Low	41.1	Very low	79 Å²	79	125.4 Å²	125.4	81%	0.814	81%	0.814	S	S	*	*			trans	-147.7	72.6	176.6	0	0	0	0	0	113.1
230	A	41.4	Very low	41.4	Very low	94 Å²	94	131.4 Å²	131.4	78%	0.777	82%	0.822	S	S	*	*			trans	-89.6	130.3	-176.2	0	0	0	0	0	113.3
231	S	48.8	Very low	41.5	Very low	122 Å²	122	129.3 Å²	129.3	85%	0.853	82%	0.817	S	S	*	*			trans	-154.5	135.6	164.4	-84	0	0	0	0	114.2
232	S	44.9	Very low	41.6	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	81%	0.81	S	S	*	*			trans	-60.3	162.7	171.2	41.2	0	0	0	0	115.2
233	A	45.7	Very low	41.8	Very low	86 Å²	86	129.9 Å²	129.9	71%	0.711	82%	0.816	S	S	*	*			cis	-176.2	177.1	-13.5	0	0	0	0	0	111.9
234	S	45.2	Very low	42	Very low	113 Å²	113	126.2 Å²	126.2	79%	0.79	81%	0.808	S	S	*	*			trans	89.4	131.7	142.8	77	0	0	0	0	121.6
235	S	42.4	Very low	42.3	Very low	126 Å²	126	129.1 Å²	129.1	88%	0.881	81%	0.813	S	S	*	*			trans	63.4	146.8	164.4	-99.1	0	0	0	0	119.3
236	S	43.3	Very low	42.1	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	81%	0.813	S	S	*	*			cis	-142.1	165	-0.6	61	0	0	0	0	111.8
237	S	43.5	Very low	42.3	Very low	115 Å²	115	132 Å²	132	80%	0.804	81%	0.813	S	S	*	*			trans	-98	132.7	-170.5	55.2	0	0	0	0	114.1
238	Q	42.9	Very low	41.8	Very low	203 Å²	203	129 Å²	129	95%	0.949	81%	0.808	S	S	*	*			trans	-138.2	156.6	149.9	-99.6	179.9	10.2	0	0	109.9
239	S	42.7	Very low	41.6	Very low	115 Å²	115	124.9 Å²	124.9	80%	0.804	79%	0.793	S	S	*	*			trans	-126.6	109.5	-164.3	56.7	0	0	0	0	112
240	E	40.1	Very low	41.1	Very low	198 Å²	198	125.7 Å²	125.7	93%	0.925	78%	0.784	S	S	*	*			trans	-133	157.6	168.6	-66.8	-163.4	124.2	0	0	111.1
241	T	39.7	Very low	41.1	Very low	124 Å²	124	125.1 Å²	125.1	76%	0.761	78%	0.775	S	S	*	*			trans	-83.3	138.8	-170.1	42.2	0	0	0	0	113.1	E243	T241-E243 PolarHBondContact O-N 2.95Å; T241-E243 VanDerWaalsContact O-N 3.07Å
242	P	40.3	Very low	40.8	Very low	128 Å²	128	125 Å²	125	83%	0.831	76%	0.764	S	S	*	*			trans	-79.6	89.7	177.7	32.5	-34.6	0	0	0	112.1
243	E	40.3	Very low	41	Very low	158 Å²	158	122.4 Å²	122.4	74%	0.738	74%	0.74	S	S	*	*			trans	-71.9	143.5	159.9	-78.1	-73.8	110.5	0	0	110.3	T241 V245	T241-E243 PolarHBondContact O-N 2.95Å; T241-E243 VanDerWaalsContact O-N 3.07Å; E243-V245 PolarHBondContact O-N 3.01Å
244	P	39.3	Very low	40.9	Very low	111 Å²	111	122.9 Å²	122.9	72%	0.721	73%	0.734	S	S	*	*			trans	-78.1	105.1	-176.8	30.8	-33.7	0	0	0	111.7	E246	P244-E246 PolarHBondContact O-N 2.73Å
245	V	39.8	Very low	40.8	Very low	123 Å²	123	124.1 Å²	124.1	75%	0.745	74%	0.738	S	S	*	*			trans	-70.8	109.7	177	-73.3	0	0	0	0	112.4	E243 S247	E243-V245 PolarHBondContact O-N 3.01Å; V245-S247 PolarHBondContact O-N 2.92Å
246	E	34.5	Very low	41	Very low	184 Å²	184	125.4 Å²	125.4	86%	0.86	73%	0.734	S	S	*	*			trans	-72.4	72.1	169.6	-67.9	-164.6	130.4	0	0	111.3	P244 T248	P244-E246 PolarHBondContact O-N 2.73Å; E246-T248 PolarHBondContact O-N 2.87Å; E246-T248 PolarHBondContact O-OG1 3.31Å
247	S	39	Very low	41.6	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	72%	0.72	S	S	*	*			trans	-75.8	64.2	-177.5	-59.7	0	0	0	0	113.9	V245 S249	V245-S247 PolarHBondContact O-N 2.92Å; S247-S249 PolarHBondContact O-N 3.16Å
248	T	33.1	Very low	42.9	Very low	127 Å²	127	123.4 Å²	123.4	78%	0.779	71%	0.709	S	S	*	*				29.1	96.7	123.2	-58.8	0	0	0	0	116.3	E246	E246-T248 PolarHBondContact O-N 2.87Å; E246-T248 PolarHBondContact O-OG1 3.31Å
249	S	35.7	Very low	45.1	Very low	85 Å²	85	117.3 Å²	117.3	59%	0.594	68%	0.683	S	S	*	*			trans	168.3	121.9	130	-76.6	0	0	0	0	112	S247	S247-S249 PolarHBondContact O-N 3.16Å
250	P	41	Very low	47.4	Very low	97 Å²	97	116.2 Å²	116.2	63%	0.63	67%	0.665	S	S	*	*	S	Bend	trans	-70.5	152.2	164.3	32.1	-33.8	0	0	0	110.4	L252	P250-L252 PolarHBondContact O-N 3.48Å
251	S	41.1	Very low	50	Low	82 Å²	82	108 Å²	108	57%	0.573	63%	0.626	S	S	*	*			trans	-37.6	95.2	-168.5	-65.3	0	0	0	0	115.9	G211 L253	G211-S251 PolarHBondContact O-OG 3.03Å; S251-L253 PolarHBondContact O-N 3.34Å
252	L	42.5	Very low	52.6	Low	119 Å²	119	106 Å²	106	62%	0.623	62%	0.616	S	S	*	*			trans	-84	103.4	163.4	-69.1	173.2	0	0	0	108.3	P250 P305	P250-L252 PolarHBondContact O-N 3.48Å; L252-P305 HydrophobicContact CD2-CB 3.85Å; L252-P305 HydrophobicContact CD2-CG 4.31Å
253	L	49.8	Very low	55.3	Low	62 Å²	62	100.1 Å²	100.1	33%	0.325	58%	0.578	S	S	.	*			trans	-71.8	137.4	154.7	-67.4	-176.7	0	0	0	108	S251 L292 I308	S251-L253 PolarHBondContact O-N 3.34Å; L253-L292 HydrophobicContact CD1-CD1 3.81Å; L253-I308 HydrophobicContact CD1-CD1 3.6Å; L253-I308 HydrophobicContact CG-CD1 3.82Å
254	T	43.1	Very low	57.9	Low	95 Å²	95	93 Å²	93	58%	0.583	55%	0.545	S	S	*	.			trans	-62.6	134.9	170.5	40.8	0	0	0	0	110.1	D256 N257	T254-D256 PolarHBondContact O-N 3.34Å; T254-N257 PolarHBondContact O-N 2.93Å; T254-N257 VanDerWaalsContact O-N 3.08Å; T254-N257 PolarHBondContact OG1-ND2 3.35Å
255	T	43.6	Very low	60.6	Low	140 Å²	140	87.8 Å²	87.8	86%	0.859	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-25	-166.8	-44.4	0	0	0	0	114.5	N257	T255-N257 VanDerWaalsContact C-N 3.31Å; T255-N257 PolarHBondContact O-N 3.34Å
256	D	46.9	Very low	63.3	Low	152 Å²	152	84.6 Å²	84.6	81%	0.813	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.7	-179.2	-55.4	-54.8	0	0	0	113.8	T254 T258	T254-D256 PolarHBondContact O-N 3.34Å; D256-T258 PolarHBondContact O-N 2.93Å
257	N	55.3	Low	66.2	Low	94 Å²	94	75.9 Å²	75.9	50%	0.503	44%	0.444	S	S	.	.	S	Bend	trans	-75.9	105.9	172.2	-79	-39.6	0	0	0	109.4	T254 T255	T254-N257 PolarHBondContact O-N 2.93Å; T254-N257 VanDerWaalsContact O-N 3.08Å; T254-N257 PolarHBondContact OG1-ND2 3.35Å; T255-N257 VanDerWaalsContact C-N 3.31Å; T255-N257 PolarHBondContact O-N 3.34Å
258	T	71.2	Confident	68.9	Low	94 Å²	94	75 Å²	75	58%	0.577	43%	0.427	S	S	*	.			trans	-49.9	147.5	179.8	64.8	0	0	0	0	111.3	D256 E260 R261	D256-T258 PolarHBondContact O-N 2.93Å; T258-E260 PolarHBondContact O-N 2.99Å; T258-E260 VanDerWaalsContact O-N 3.15Å; T258-R261 PolarHBondContact O-NH1 2.91Å
259	L	88.1	Confident	71.8	Confident	74 Å²	74	69.7 Å²	69.7	39%	0.387	40%	0.396	S	S	.	.	S	Bend	trans	-70.4	-7.1	178.3	-64	173.7	0	0	0	112.9	R291 L292 L294	L259-R291 CarbonylContact O-C 3.24Å; L259-R291 VanDerWaalsContact O-CA 3.26Å; L259-R291 WeakPolarHBondContact O-CA 3.48Å; L259-L292 PolarHBondContact O-N 2.95Å; L259-L294 HydrophobicContact CD1-CD1 3.65Å; L259-L294 HydrophobicContact CD1-CG 4.15Å; L259-L294 HydrophobicContact CD2-CD1 4.03Å; L259-L294 HydrophobicContact CD2-CD2 4.19Å; L259-L294 HydrophobicContact CD2-CG 4.14Å; L259-L294 HydrophobicContact CG-CD1 4.5Å
260	E	92	Very high	74.4	Confident	92 Å²	92	69.8 Å²	69.8	43%	0.43	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	145.3	-175.9	-47.1	-160.4	129.7	0	0	111.2	T258 G290 R291	T258-E260 PolarHBondContact O-N 2.99Å; T258-E260 VanDerWaalsContact O-N 3.15Å; E260-G290 WeakPolarHBondContact CA-O 3.44Å; E260-R291 HydrophobicContact CG-CG 4.22Å; E260-R291 IonicContact OE1-CZ 3.68Å; E260-R291 IonicContact OE1-NE 3.08Å; E260-R291 PolarHBondContact OE1-NE 3.04Å; E260-R291 IonicContact OE1-NH2 3.97Å; E260-R291 PolarHBondContact OE1-NH2 2.87Å
261	R	93.8	Very high	76.5	Confident	27 Å²	27	68.4 Å²	68.4	10%	0.102	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.5	-174.5	-65.6	-71.8	174.1	-91.8	9.4	108.6	Q209 T258 F263 T289 G290 L292 L311	Q209-R261 WeakPolarHBondContact O-CD 3.49Å; Q209-R261 PolarHBondContact O-NE 3.39Å; T258-R261 PolarHBondContact O-NH1 2.91Å; R261-F263 HydrophobicContact CB-CD1 4.26Å; R261-F263 HydrophobicContact CB-CE1 4.08Å; R261-T289 CarbonylContact O-C 3.59Å; R261-T289 WeakPolarHBondContact O-CA 3.4Å; R261-G290 PolarHBondContact N-O 3.43Å; R261-G290 PolarHBondContact O-N 3.18Å; R261-L292 HydrophobicContact CG-CG 4.23Å; R261-L311 HydrophobicContact CB-CD1 4.18Å; R261-L311 HydrophobicContact CG-CD1 4.04Å
262	S	94.7	Very high	77.8	Confident	80 Å²	80	70.3 Å²	70.3	56%	0.559	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	110.7	175.9	-173.4	0	0	0	0	108.1	H287 I288	S262-H287 PolarHBondContact OG-NE2 3.27Å; S262-I288 VanDerWaalsContact CA-O 3.28Å; S262-I288 WeakPolarHBondContact CA-O 3.45Å
263	F	95.6	Very high	78.6	Confident	5 Å²	5	68.4 Å²	68.4	2%	0.022	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	163.7	-173.6	63.3	-82.7	0	0	0	111.6	M206 Q209 R261 I265 I288 L311	M206-F263 HydrophobicContact SD-CE2 3.57Å; M206-F263 VanDerWaalsContact SD-CE2 3.57Å; M206-F263 HydrophobicContact SD-CZ 3.61Å; Q209-F263 HydrophobicContact CB-CD1 4.07Å; Q209-F263 HydrophobicContact CB-CE1 3.65Å; Q209-F263 HydrophobicContact CB-CE2 4.2Å; Q209-F263 HydrophobicContact CB-CZ 3.73Å; Q209-F263 VanDerWaalsContact CD-CD1 3.49Å; Q209-F263 HydrophobicContact CG-CB 4.4Å; Q209-F263 HydrophobicContact CG-CD1 3.68Å; Q209-F263 HydrophobicContact CG-CD2 3.9Å; Q209-F263 HydrophobicContact CG-CE1 3.79Å; Q209-F263 HydrophobicContact CG-CE2 4.01Å; Q209-F263 HydrophobicContact CG-CG 3.75Å; Q209-F263 HydrophobicContact CG-CZ 3.96Å; R261-F263 HydrophobicContact CB-CD1 4.26Å; R261-F263 HydrophobicContact CB-CE1 4.08Å; F263-I265 HydrophobicContact CD2-CG2 3.73Å; F263-I265 HydrophobicContact CE2-CG2 3.64Å; F263-I288 HydrophobicContact CD1-CB 4.32Å; F263-I288 HydrophobicContact CD1-CG2 3.94Å; F263-I288 HydrophobicContact CE1-CB 4.07Å; F263-I288 HydrophobicContact CE1-CG2 3.38Å; F263-I288 HydrophobicContact CE2-CB 4.35Å; F263-I288 HydrophobicContact CE2-CD1 3.87Å; F263-I288 HydrophobicContact CE2-CG2 4.4Å; F263-I288 HydrophobicContact CZ-CB 4.08Å; F263-I288 HydrophobicContact CZ-CD1 3.79Å; F263-I288 HydrophobicContact CZ-CG2 3.65Å; F263-I288 PolarHBondContact N-O 2.8Å; F263-I288 VanDerWaalsContact N-O 3.1Å; F263-I288 PolarHBondContact O-N 3.03Å; F263-L311 HydrophobicContact CZ-CD2 4.49Å
264	F	96.4	Very high	78.7	Confident	10 Å²	10	76.9 Å²	76.9	4%	0.044	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.1	-177.3	-59.6	-85	0	0	0	110.9	V285 I286 H287 L318 D384 K388 C391 V392	F264-V285 HydrophobicContact CB-CG1 4.23Å; F264-V285 HydrophobicContact CD1-CG1 4.28Å; F264-I286 WeakPolarHBondContact CA-O 3.37Å; F264-H287 HydrophobicContact CD1-CB 3.8Å; F264-H287 AromaticContact CD1-CD2 3.96Å; F264-H287 HydrophobicContact CE1-CB 3.56Å; F264-H287 AromaticContact CE1-CD2 3.5Å; F264-H287 VanDerWaalsContact CE1-CD2 3.5Å; F264-H287 WeakPolarHBondContact CE1-CD2 3.39Å; F264-H287 AromaticContact CE1-CG 3.47Å; F264-H287 VanDerWaalsContact CE1-CG 3.47Å; F264-H287 AromaticContact CZ-CD2 3.68Å; F264-H287 AromaticContact CZ-CG 4Å; F264-L318 HydrophobicContact CD1-CD1 4.09Å; F264-L318 HydrophobicContact CE1-CD1 4.05Å; F264-D384 HydrophobicContact CD2-CB 4.24Å; F264-D384 WeakPolarHBondContact CD2-OD2 3.31Å; F264-K388 HydrophobicContact CB-CD 3.84Å; F264-K388 WeakPolarHBondContact O-CD 3.25Å; F264-K388 WeakPolarHBondContact O-CE 3.08Å; F264-K388 PolarHBondContact O-NZ 3.25Å; F264-C391 HydrophobicContact CE2-CB 4.45Å; F264-C391 HydrophobicContact CZ-CB 4.47Å; F264-V392 HydrophobicContact CE1-CB 4.18Å; F264-V392 HydrophobicContact CE1-CG2 4.4Å; F264-V392 HydrophobicContact CZ-CB 4Å; F264-V392 VanDerWaalsContact CZ-O 3.28Å; F264-V392 WeakPolarHBondContact CZ-O 3.2Å
265	I	96.5	Very high	78.8	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.3	172.7	59.5	169.3	0	0	0	111.5	V198 D202 M206 F263 M267 I286 I288	V198-I265 HydrophobicContact CG1-CB 4.29Å; V198-I265 HydrophobicContact CG1-CD1 4.23Å; V198-I265 HydrophobicContact CG2-CD1 3.66Å; D202-I265 HydrophobicContact CB-CB 4.5Å; D202-I265 HydrophobicContact CB-CG2 4.34Å; M206-I265 HydrophobicContact SD-CD1 4.21Å; F263-I265 HydrophobicContact CD2-CG2 3.73Å; F263-I265 HydrophobicContact CE2-CG2 3.64Å; I265-M267 HydrophobicContact CD1-CG 3.81Å; I265-M267 HydrophobicContact CD1-SD 4.18Å; I265-M267 HydrophobicContact CG1-CG 4.07Å; I265-I286 PolarHBondContact N-O 3.08Å; I265-I286 PolarHBondContact O-N 3.24Å; I265-I288 HydrophobicContact CD1-CD1 3.41Å; I265-I288 VanDerWaalsContact CD1-CD1 3.41Å; I265-I288 HydrophobicContact CD1-CG1 4.48Å; I265-I288 HydrophobicContact CG1-CD1 3.77Å; I265-I288 HydrophobicContact CG1-CG1 4.42Å
266	R	95.6	Very high	78.7	Confident	57 Å²	57	71.7 Å²	71.7	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113	172.6	-65.1	170.3	-76.1	-153.8	-3.9	109.2	H199 D202 Y283 K284 V285 N387	H199-R266 HydrophobicContact CB-CB 3.62Å; H199-R266 WeakPolarHBondContact CB-O 3.38Å; H199-R266 PolarHBondContact N-O 3.43Å; D202-R266 IonicContact OD1-CZ 2.71Å; D202-R266 VanDerWaalsContact OD1-CZ 3.24Å; D202-R266 IonicContact OD1-NE 3.24Å; D202-R266 PolarHBondContact OD1-NE 2.99Å; D202-R266 IonicContact OD1-NH2 2.7Å; D202-R266 PolarHBondContact OD1-NH2 2.87Å; D202-R266 VanDerWaalsContact OD2-CB 3.27Å; D202-R266 WeakPolarHBondContact OD2-CB 3.33Å; D202-R266 WeakPolarHBondContact OD2-CG 3.48Å; D202-R266 IonicContact OD2-CZ 2.83Å; D202-R266 PolarHBondContact OD2-N 3.02Å; D202-R266 IonicContact OD2-NE 3.96Å; D202-R266 PolarHBondContact OD2-NE 3.46Å; D202-R266 VanDerWaalsContact OD2-NE 3.08Å; D202-R266 IonicContact OD2-NH2 2.82Å; R266-Y283 HydrophobicContact CB-CD1 4.35Å; R266-K284 CarbonylContact C-O 3.58Å; R266-K284 VanDerWaalsContact CA-O 3.3Å; R266-K284 WeakPolarHBondContact CA-O 3.19Å; R266-V285 HydrophobicContact CG-CG2 4.3Å; R266-N387 PolarHBondContact NH1-O 3.27Å
267	M	96.2	Very high	78.3	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	146	176	-66.2	-170.1	70.9	0	0	111.5	F161 F171 L182 Y197 V198 I265 Y283 K284 I286	F161-M267 HydrophobicContact CE2-SD 4.41Å; F161-M267 HydrophobicContact CZ-SD 4.07Å; F171-M267 HydrophobicContact CZ-CE 4.28Å; L182-M267 HydrophobicContact CD1-CB 3.92Å; L182-M267 HydrophobicContact CD1-CE 4.09Å; L182-M267 HydrophobicContact CD1-SD 4.24Å; L182-M267 HydrophobicContact CD2-CB 4.28Å; Y197-M267 CarbonylContact O-C 3.49Å; Y197-M267 WeakPolarHBondContact O-CA 3.43Å; V198-M267 HydrophobicContact CG2-CG 4.49Å; I265-M267 HydrophobicContact CD1-CG 3.81Å; I265-M267 HydrophobicContact CD1-SD 4.18Å; I265-M267 HydrophobicContact CG1-CG 4.07Å; M267-Y283 VanDerWaalsContact C-CD1 3.49Å; M267-Y283 CarbonylContact O-C 3.53Å; M267-Y283 WeakPolarHBondContact O-CA 3.46Å; M267-K284 PolarHBondContact N-O 2.76Å; M267-K284 PolarHBondContact O-N 3.35Å; M267-I286 HydrophobicContact CB-CG1 3.83Å; M267-I286 HydrophobicContact CG-CB 4.29Å; M267-I286 HydrophobicContact CG-CG1 3.85Å; M267-I286 HydrophobicContact SD-CB 4.32Å; M267-I286 HydrophobicContact SD-CG1 3.98Å; M267-I286 HydrophobicContact SD-CG2 4.28Å
268	K	95.4	Very high	77.8	Confident	82 Å²	82	74.6 Å²	74.6	36%	0.357	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	137.2	177.9	-75.2	-179.2	-174.1	167.6	0	111.1	L184 D196 Y197 G282 Y283	L184-K268 WeakPolarHBondContact CD1-O 3.38Å; D196-K268 WeakPolarHBondContact O-CE 3.41Å; D196-K268 PolarHBondContact O-NZ 3.08Å; Y197-K268 WeakPolarHBondContact O-CG 3.36Å; Y197-K268 PolarHBondContact O-N 3.41Å; K268-G282 CarbonylContact C-O 3.52Å; K268-G282 VanDerWaalsContact CA-O 3.24Å; K268-G282 WeakPolarHBondContact CA-O 3.44Å; K268-Y283 HydrophobicContact CB-CE1 4.38Å; K268-Y283 WeakPolarHBondContact CE-OH 3.41Å; K268-Y283 HydrophobicContact CG-CD1 4.02Å; K268-Y283 HydrophobicContact CG-CE1 3.41Å; K268-Y283 VanDerWaalsContact CG-CE1 3.41Å
269	S	92.7	Very high	76.5	Confident	16 Å²	16	79.9 Å²	79.9	11%	0.112	41%	0.409	C	S	.	.			trans	-135.1	130.6	175.9	175	0	0	0	0	110.4	L182 L271 G282	L182-S269 CarbonylContact O-C 3.56Å; L182-S269 WeakPolarHBondContact O-CA 3.26Å; L182-S269 PolarHBondContact O-OG 2.9Å; S269-L271 PolarHBondContact OG-N 3.27Å; S269-G282 PolarHBondContact N-O 2.84Å
270	T	91.5	Very high	74.9	Confident	87 Å²	87	79.7 Å²	79.7	53%	0.534	41%	0.414	S	S	.	.			trans	-92.6	-9	175.9	56.3	0	0	0	0	112.5	L182 G183 L184 T272	L182-T270 PolarHBondContact O-N 2.8Å; L182-T270 PolarHBondContact O-OG1 3.42Å; G183-T270 VanDerWaalsContact CA-OG1 3.27Å; G183-T270 WeakPolarHBondContact CA-OG1 3.12Å; G183-T270 PolarHBondContact O-OG1 3.02Å; L184-T270 HydrophobicContact CD2-CG2 3.88Å; T270-T272 PolarHBondContact O-N 3.15Å
271	L	85.6	Confident	73.7	Confident	68 Å²	68	79.8 Å²	79.8	36%	0.356	43%	0.425	S	S	.	.			trans	-64.6	111.9	179.3	-61.6	169.6	0	0	0	111.6	I180 Y181 S269	I180-L271 WeakPolarHBondContact O-CD1 3.26Å; Y181-L271 WeakPolarHBondContact O-CD1 3.32Å; S269-L271 PolarHBondContact OG-N 3.27Å
272	T	67.9	Low	73.4	Confident	123 Å²	123	80 Å²	80	76%	0.755	44%	0.435	S	S	*	.			trans	-78.8	125.6	172.2	50.5	0	0	0	0	110.3	T270 R274	T270-T272 PolarHBondContact O-N 3.15Å; T272-R274 PolarHBondContact O-N 3.46Å
273	K	59	Low	73.3	Confident	78 Å²	78	78.6 Å²	78.6	34%	0.339	42%	0.418	S	S	.	.			trans	-68.8	97.3	168.1	-91	-150.8	170.2	-149.5	0	109.3	G275 V276 T322	K273-G275 PolarHBondContact O-N 3.36Å; K273-V276 HydrophobicContact CB-CB 4.29Å; K273-V276 HydrophobicContact CD-CB 3.83Å; K273-V276 HydrophobicContact CD-CG1 4.45Å; K273-V276 HydrophobicContact CD-CG2 3.85Å; K273-T322 PolarHBondContact NZ-OG1 3.09Å
274	R	52.2	Low	73.1	Confident	241 Å²	241	81.8 Å²	81.8	91%	0.909	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	127.8	159	-65.9	-178.1	-177.9	168	1.2	107.7	T272	T272-R274 PolarHBondContact O-N 3.46Å
275	G	45.7	Very low	73	Confident	81 Å²	81	81.7 Å²	81.7	84%	0.835	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-2.2	173.8	0	0	0	0	0	117.6	K273	K273-G275 PolarHBondContact O-N 3.36Å
276	V	40.4	Very low	73	Confident	45 Å²	45	81.7 Å²	81.7	27%	0.273	43%	0.432	S	S	.	.			trans	-131	115.8	174.8	-176.1	0	0	0	0	110.6	K273 I278	K273-V276 HydrophobicContact CB-CB 4.29Å; K273-V276 HydrophobicContact CD-CB 3.83Å; K273-V276 HydrophobicContact CD-CG1 4.45Å; K273-V276 HydrophobicContact CD-CG2 3.85Å; V276-I278 HydrophobicContact CG1-CB 4.13Å; V276-I278 HydrophobicContact CG1-CD1 3.88Å; V276-I278 HydrophobicContact CG1-CG1 3.86Å; V276-I278 PolarHBondContact O-N 3.17Å
277	H	38	Very low	73	Confident	203 Å²	203	80.2 Å²	80.2	94%	0.94	43%	0.428	S	S	*	.			trans	-72.3	11.4	-175.1	-100.2	-103	0	0	0	115.7	K279	H277-K279 PolarHBondContact O-N 3.19Å
278	I	46.1	Very low	73	Confident	104 Å²	104	80.2 Å²	80.2	53%	0.533	43%	0.428	S	S	.	.			trans	-75.3	117.8	171.9	-61.8	171.1	0	0	0	108	V276 S280	V276-I278 HydrophobicContact CG1-CB 4.13Å; V276-I278 HydrophobicContact CG1-CD1 3.88Å; V276-I278 HydrophobicContact CG1-CG1 3.86Å; V276-I278 PolarHBondContact O-N 3.17Å; I278-S280 PolarHBondContact O-N 2.66Å
279	K	43.1	Very low	73.1	Confident	205 Å²	205	78.4 Å²	78.4	89%	0.891	42%	0.424	S	S	*	.			trans	-66.3	85.1	161.5	-64.8	177.5	-175.7	171.4	0	108	H277	H277-K279 PolarHBondContact O-N 3.19Å
280	S	54.4	Low	73.2	Confident	70 Å²	70	78.5 Å²	78.5	49%	0.49	43%	0.427	S	S	.	.			trans	-55.3	142.2	166.8	53	0	0	0	0	108.2	I278 G282	I278-S280 PolarHBondContact O-N 2.66Å; S280-G282 PolarHBondContact O-N 3.47Å
281	S	67.4	Low	73.3	Confident	94 Å²	94	80.9 Å²	80.9	66%	0.657	43%	0.426	S	S	*	.			trans	-69.3	13	-166.7	51.9	0	0	0	0	115	Y283	S281-Y283 VanDerWaalsContact C-N 3.31Å; S281-Y283 WeakPolarHBondContact O-CD2 3.45Å
282	G	87.6	Confident	73.7	Confident	31 Å²	31	77.9 Å²	77.9	32%	0.32	41%	0.41	S	S	.	.	S	Bend	trans	78.2	13.6	-165.5	0	0	0	0	0	113.2	K268 S269 S280	K268-G282 CarbonylContact C-O 3.52Å; K268-G282 VanDerWaalsContact CA-O 3.24Å; K268-G282 WeakPolarHBondContact CA-O 3.44Å; S269-G282 PolarHBondContact N-O 2.84Å; S280-G282 PolarHBondContact O-N 3.47Å
283	Y	91.6	Very high	74.7	Confident	51 Å²	51	72.9 Å²	72.9	20%	0.2	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.3	-178.9	-62.6	-92.7	0	0	0	112.8	H199 R266 M267 K268 S281	H199-Y283 VanDerWaalsContact CA-CE1 3.46Å; H199-Y283 HydrophobicContact CB-CD1 3.79Å; H199-Y283 HydrophobicContact CB-CE1 3.68Å; H199-Y283 HydrophobicContact CB-CG 4.42Å; H199-Y283 AromaticContact CD2-CE2 3.82Å; H199-Y283 AromaticContact CD2-CZ 3.95Å; R266-Y283 HydrophobicContact CB-CD1 4.35Å; M267-Y283 VanDerWaalsContact C-CD1 3.49Å; M267-Y283 CarbonylContact O-C 3.53Å; M267-Y283 WeakPolarHBondContact O-CA 3.46Å; K268-Y283 HydrophobicContact CB-CE1 4.38Å; K268-Y283 WeakPolarHBondContact CE-OH 3.41Å; K268-Y283 HydrophobicContact CG-CD1 4.02Å; K268-Y283 HydrophobicContact CG-CE1 3.41Å; K268-Y283 VanDerWaalsContact CG-CE1 3.41Å; S281-Y283 VanDerWaalsContact C-N 3.31Å; S281-Y283 WeakPolarHBondContact O-CD2 3.45Å
284	K	92.1	Very high	76	Confident	72 Å²	72	71.6 Å²	71.6	31%	0.313	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.9	166.1	-76	-173.4	179	-175.4	0	110.2	Y181 L182 R266 M267 I286	Y181-K284 WeakPolarHBondContact O-CD 3.19Å; Y181-K284 WeakPolarHBondContact O-CE 3.38Å; Y181-K284 PolarHBondContact O-NZ 2.88Å; L182-K284 HydrophobicContact CD2-CB 4.2Å; L182-K284 HydrophobicContact CD2-CD 4.31Å; R266-K284 CarbonylContact C-O 3.58Å; R266-K284 VanDerWaalsContact CA-O 3.3Å; R266-K284 WeakPolarHBondContact CA-O 3.19Å; M267-K284 PolarHBondContact N-O 2.76Å; M267-K284 PolarHBondContact O-N 3.35Å; K284-I286 HydrophobicContact CB-CD1 4.49Å
285	V	93.9	Very high	77.4	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.5	169.3	-173.1	0	0	0	0	109.4	F264 R266 L318 K388 Q390	F264-V285 HydrophobicContact CB-CG1 4.23Å; F264-V285 HydrophobicContact CD1-CG1 4.28Å; R266-V285 HydrophobicContact CG-CG2 4.3Å; V285-L318 HydrophobicContact CB-CD1 4.37Å; V285-L318 HydrophobicContact CG1-CD1 3.9Å; V285-L318 PolarHBondContact O-N 2.91Å; V285-K388 HydrophobicContact CG2-CB 4.42Å; V285-K388 WeakPolarHBondContact CG2-O 3.5Å; V285-Q390 HydrophobicContact CB-CB 4.04Å; V285-Q390 HydrophobicContact CB-CG 4.34Å; V285-Q390 HydrophobicContact CG1-CB 4.25Å; V285-Q390 HydrophobicContact CG2-CB 3.96Å; V285-Q390 HydrophobicContact CG2-CG 4Å
286	I	95.8	Very high	78.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.2	177	-59.6	-53.9	0	0	0	108.1	F161 L182 F264 I265 M267 K284 I288 A315 H316 A317	F161-I286 HydrophobicContact CE1-CD1 4.14Å; F161-I286 HydrophobicContact CE1-CG2 4.49Å; F161-I286 HydrophobicContact CZ-CD1 4.37Å; F161-I286 HydrophobicContact CZ-CG1 4.43Å; F161-I286 HydrophobicContact CZ-CG2 4.11Å; L182-I286 HydrophobicContact CD2-CD1 3.96Å; L182-I286 HydrophobicContact CD2-CG1 4.37Å; F264-I286 WeakPolarHBondContact CA-O 3.37Å; I265-I286 PolarHBondContact N-O 3.08Å; I265-I286 PolarHBondContact O-N 3.24Å; M267-I286 HydrophobicContact CB-CG1 3.83Å; M267-I286 HydrophobicContact CG-CB 4.29Å; M267-I286 HydrophobicContact CG-CG1 3.85Å; M267-I286 HydrophobicContact SD-CB 4.32Å; M267-I286 HydrophobicContact SD-CG1 3.98Å; M267-I286 HydrophobicContact SD-CG2 4.28Å; K284-I286 HydrophobicContact CB-CD1 4.49Å; I286-I288 HydrophobicContact CG2-CG1 4.26Å; I286-A315 HydrophobicContact CG2-CB 3.75Å; I286-H316 CarbonylContact C-O 3.59Å; I286-H316 WeakPolarHBondContact CA-O 3.24Å; I286-A317 HydrophobicContact CD1-CB 3.55Å
287	H	96.6	Very high	79.5	Confident	27 Å²	27	64.7 Å²	64.7	13%	0.125	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.3	166.8	-176	-154.3	0	0	0	108.7	S262 F264 T289 A315 H316 L318	S262-H287 PolarHBondContact OG-NE2 3.27Å; F264-H287 HydrophobicContact CD1-CB 3.8Å; F264-H287 AromaticContact CD1-CD2 3.96Å; F264-H287 HydrophobicContact CE1-CB 3.56Å; F264-H287 AromaticContact CE1-CD2 3.5Å; F264-H287 VanDerWaalsContact CE1-CD2 3.5Å; F264-H287 WeakPolarHBondContact CE1-CD2 3.39Å; F264-H287 AromaticContact CE1-CG 3.47Å; F264-H287 VanDerWaalsContact CE1-CG 3.47Å; F264-H287 AromaticContact CZ-CD2 3.68Å; F264-H287 AromaticContact CZ-CG 4Å; H287-T289 WeakPolarHBondContact CE1-CG2 3.21Å; H287-T289 WeakPolarHBondContact NE2-CG2 3.36Å; H287-A315 WeakPolarHBondContact O-CA 3.46Å; H287-H316 PolarHBondContact N-O 2.83Å; H287-H316 PolarHBondContact O-N 2.85Å; H287-L318 HydrophobicContact CB-CD2 4.1Å
288	I	96.8	Very high	80.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.8	173.6	-78	177.6	0	0	0	108.5	F163 M206 S262 F263 I265 I286 V313 A315	F163-I288 HydrophobicContact CZ-CD1 3.84Å; F163-I288 HydrophobicContact CZ-CG1 4.24Å; M206-I288 HydrophobicContact CE-CD1 4.48Å; M206-I288 HydrophobicContact SD-CD1 4.49Å; S262-I288 VanDerWaalsContact CA-O 3.28Å; S262-I288 WeakPolarHBondContact CA-O 3.45Å; F263-I288 HydrophobicContact CD1-CB 4.32Å; F263-I288 HydrophobicContact CD1-CG2 3.94Å; F263-I288 HydrophobicContact CE1-CB 4.07Å; F263-I288 HydrophobicContact CE1-CG2 3.38Å; F263-I288 HydrophobicContact CE2-CB 4.35Å; F263-I288 HydrophobicContact CE2-CD1 3.87Å; F263-I288 HydrophobicContact CE2-CG2 4.4Å; F263-I288 HydrophobicContact CZ-CB 4.08Å; F263-I288 HydrophobicContact CZ-CD1 3.79Å; F263-I288 HydrophobicContact CZ-CG2 3.65Å; F263-I288 PolarHBondContact N-O 2.8Å; F263-I288 VanDerWaalsContact N-O 3.1Å; F263-I288 PolarHBondContact O-N 3.03Å; I265-I288 HydrophobicContact CD1-CD1 3.41Å; I265-I288 VanDerWaalsContact CD1-CD1 3.41Å; I265-I288 HydrophobicContact CD1-CG1 4.48Å; I265-I288 HydrophobicContact CG1-CD1 3.77Å; I265-I288 HydrophobicContact CG1-CG1 4.42Å; I286-I288 HydrophobicContact CG2-CG1 4.26Å; I288-V313 HydrophobicContact CB-CG1 4.28Å; I288-V313 HydrophobicContact CG1-CG1 4.13Å; I288-V313 HydrophobicContact CG2-CB 4.33Å; I288-V313 HydrophobicContact CG2-CG1 3.73Å; I288-V313 HydrophobicContact CG2-CG2 3.54Å; I288-A315 HydrophobicContact CG1-CB 4.46Å
289	T	96.4	Very high	81.1	Confident	44 Å²	44	59.8 Å²	59.8	27%	0.27	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.8	166.3	64.9	0	0	0	0	109.9	R261 H287 V313 V314	R261-T289 CarbonylContact O-C 3.59Å; R261-T289 WeakPolarHBondContact O-CA 3.4Å; H287-T289 WeakPolarHBondContact CE1-CG2 3.21Å; H287-T289 WeakPolarHBondContact NE2-CG2 3.36Å; T289-V313 CarbonylContact O-C 3.59Å; T289-V313 VanDerWaalsContact O-CA 3.26Å; T289-V313 WeakPolarHBondContact O-CA 3.34Å; T289-V314 PolarHBondContact N-O 2.94Å; T289-V314 PolarHBondContact O-N 2.91Å; T289-V314 VanDerWaalsContact O-O 3.05Å; T289-V314 PolarHBondContact OG1-O 2.94Å
290	G	95.5	Very high	81.6	Confident	18 Å²	18	59.2 Å²	59.2	19%	0.186	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	-166.8	-174.6	0	0	0	0	0	115	E260 R261 V312	E260-G290 WeakPolarHBondContact CA-O 3.44Å; R261-G290 PolarHBondContact N-O 3.43Å; R261-G290 PolarHBondContact O-N 3.18Å; G290-V312 CarbonylContact C-O 3.57Å; G290-V312 WeakPolarHBondContact CA-O 3.43Å
291	R	93.9	Very high	81.7	Confident	136 Å²	136	60 Å²	60	51%	0.513	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.1	179.9	-59.2	-173.6	176.9	83.9	6.8	111.9	L259 E260 R293 V312	L259-R291 CarbonylContact O-C 3.24Å; L259-R291 VanDerWaalsContact O-CA 3.26Å; L259-R291 WeakPolarHBondContact O-CA 3.48Å; E260-R291 HydrophobicContact CG-CG 4.22Å; E260-R291 IonicContact OE1-CZ 3.68Å; E260-R291 IonicContact OE1-NE 3.08Å; E260-R291 PolarHBondContact OE1-NE 3.04Å; E260-R291 IonicContact OE1-NH2 3.97Å; E260-R291 PolarHBondContact OE1-NH2 2.87Å; R291-R293 PolarHBondContact O-N 2.84Å; R291-V312 PolarHBondContact N-O 3.47Å; R291-V312 PolarHBondContact O-N 2.88Å
292	L	92.5	Very high	81.2	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124	166.2	-69	-178.9	0	0	0	109.2	L253 L259 R261 I308 G310 L311	L253-L292 HydrophobicContact CD1-CD1 3.81Å; L259-L292 PolarHBondContact O-N 2.95Å; R261-L292 HydrophobicContact CG-CG 4.23Å; L292-I308 HydrophobicContact CB-CG2 4.33Å; L292-I308 HydrophobicContact CD1-CD1 4.29Å; L292-I308 HydrophobicContact CD1-CG2 4.41Å; L292-I308 HydrophobicContact CD2-CG2 4.15Å; L292-G310 WeakPolarHBondContact CA-O 3.4Å; L292-L311 HydrophobicContact CD2-CB 3.96Å; L292-L311 HydrophobicContact CD2-CD1 4.03Å
293	R	90.2	Very high	79.6	Confident	18 Å²	18	71 Å²	71	7%	0.068	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127	-178.5	-163.4	174.2	-171.4	-164	-4.4	110.1	F106 A107 G110 P112 W114 R291 M309 G310 V312	F106-R293 HydrophobicContact CE2-CB 4.49Å; F106-R293 HydrophobicContact CZ-CB 4.01Å; F106-R293 PolarHBondContact O-NH1 2.89Å; A107-R293 PolarHBondContact O-NH2 3.32Å; G110-R293 PolarHBondContact O-NH2 2.75Å; P112-R293 PolarHBondContact O-NH2 3.31Å; W114-R293 VanDerWaalsContact CD2-NH1 3.27Å; W114-R293 VanDerWaalsContact CE2-CZ 3.45Å; W114-R293 VanDerWaalsContact CZ2-NH1 3.35Å; R291-R293 PolarHBondContact O-N 2.84Å; R293-M309 WeakPolarHBondContact O-CB 3.41Å; R293-M309 PolarHBondContact O-N 3.08Å; R293-G310 PolarHBondContact N-O 3.15Å; R293-V312 HydrophobicContact CB-CG2 4.31Å
294	L	85.6	Confident	77.8	Confident	51 Å²	51	71.8 Å²	71.8	27%	0.267	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	144.8	178	-62.4	177.5	0	0	0	111.4	G110 L259 Q307 I308	G110-L294 WeakPolarHBondContact CA-O 3.35Å; L259-L294 HydrophobicContact CD1-CD1 3.65Å; L259-L294 HydrophobicContact CD1-CG 4.15Å; L259-L294 HydrophobicContact CD2-CD1 4.03Å; L259-L294 HydrophobicContact CD2-CD2 4.19Å; L259-L294 HydrophobicContact CD2-CG 4.14Å; L259-L294 HydrophobicContact CG-CD1 4.5Å; L294-Q307 CarbonylContact C-O 3.52Å; L294-Q307 WeakPolarHBondContact CA-O 3.35Å; L294-I308 HydrophobicContact CD2-CG1 3.88Å
295	R	81.7	Confident	76.1	Confident	85 Å²	85	72 Å²	72	32%	0.321	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-76.7	130.2	170.9	174.1	176.6	-82.6	147.2	-6.1	110.2	Q109 S297 Q307 M309	Q109-R295 VanDerWaalsContact OE1-CZ 3.26Å; R295-S297 PolarHBondContact O-N 3.36Å; R295-Q307 HydrophobicContact CB-CB 4.34Å; R295-Q307 PolarHBondContact N-O 3.35Å; R295-M309 WeakPolarHBondContact CA-SD 3.25Å; R295-M309 HydrophobicContact CB-CG 3.66Å; R295-M309 HydrophobicContact CB-SD 3.83Å
296	V	68.8	Low	74.8	Confident	71 Å²	71	75.3 Å²	75.3	43%	0.43	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-72.8	125.6	169.4	-178	0	0	0	0	109.4	Q109 D111 L298	Q109-V296 PolarHBondContact O-N 2.94Å; D111-V296 HydrophobicContact CB-CG2 3.84Å; V296-L298 HydrophobicContact CG1-CD1 3.96Å; V296-L298 HydrophobicContact CG1-CG 3.93Å
297	S	62.3	Low	74	Confident	66 Å²	66	79.4 Å²	79.4	46%	0.462	44%	0.435	S	S	.	.			trans	-129.4	103.1	172.1	-162.3	0	0	0	0	110.4	R295 S299	R295-S297 PolarHBondContact O-N 3.36Å; S297-S299 PolarHBondContact O-N 3.48Å
298	L	59.6	Low	73.5	Confident	153 Å²	153	79.3 Å²	79.3	80%	0.801	44%	0.435	S	S	*	.			trans	-97.6	56.2	-177.8	-73.6	164.3	0	0	0	111.5	V296	V296-L298 HydrophobicContact CG1-CD1 3.96Å; V296-L298 HydrophobicContact CG1-CG 3.93Å
299	S	57.1	Low	73.2	Confident	52 Å²	52	80 Å²	80	36%	0.364	44%	0.438	S	S	.	.			trans	-78	118.1	171.8	50.7	0	0	0	0	111.2	S297 G301 R302 V304	S297-S299 PolarHBondContact O-N 3.48Å; S299-G301 PolarHBondContact O-N 3.47Å; S299-R302 PolarHBondContact OG-O 2.81Å; S299-V304 WeakPolarHBondContact OG-CG2 3.49Å
300	H	52.8	Low	73	Confident	193 Å²	193	78 Å²	78	89%	0.894	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	126.2	178	-72.3	50.9	0	0	0	110.8	R302	H300-R302 PolarHBondContact O-N 3.4Å
301	G	57.7	Low	73.1	Confident	85 Å²	85	77.1 Å²	77.1	88%	0.876	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-2.1	169.4	0	0	0	0	0	117.5	S299	S299-G301 PolarHBondContact O-N 3.47Å
302	R	56.6	Low	73.2	Confident	213 Å²	213	72.3 Å²	72.3	80%	0.804	40%	0.403	S	S	*	.			trans	-139.7	130.4	168.3	-77.6	-168.3	173.5	-157.7	-1.6	111.6	S299 H300 V304	S299-R302 PolarHBondContact OG-O 2.81Å; H300-R302 PolarHBondContact O-N 3.4Å; R302-V304 PolarHBondContact O-N 3.41Å; R302-V304 VanDerWaalsContact O-N 3.1Å
303	T	54.2	Low	73.4	Confident	145 Å²	145	72.2 Å²	72.2	89%	0.89	40%	0.403	S	S	*	.			trans	-74.2	91	168.9	48.4	0	0	0	0	109.7
304	V	54	Low	73.8	Confident	66 Å²	66	73.3 Å²	73.3	40%	0.4	41%	0.412	S	S	.	.			trans	-68.3	129.9	165.8	176.7	0	0	0	0	107.9	S299 R302 S306	S299-V304 WeakPolarHBondContact OG-CG2 3.49Å; R302-V304 PolarHBondContact O-N 3.41Å; R302-V304 VanDerWaalsContact O-N 3.1Å; V304-S306 PolarHBondContact O-N 3.48Å
305	P	55.2	Low	74.3	Confident	78 Å²	78	70.9 Å²	70.9	51%	0.506	40%	0.399	S	S	.	.			trans	-62.6	133.1	178.1	25.3	-33.7	0	0	0	110.6	L252 Q307	L252-P305 HydrophobicContact CD2-CB 3.85Å; L252-P305 HydrophobicContact CD2-CG 4.31Å; P305-Q307 PolarHBondContact O-N 2.86Å; P305-Q307 VanDerWaalsContact O-N 3.12Å
306	S	67.6	Low	74.8	Confident	76 Å²	76	69.2 Å²	69.2	53%	0.531	39%	0.394	S	S	.	.			trans	-60.1	112.7	-176.8	-55.7	0	0	0	0	111.4	V304	V304-S306 PolarHBondContact O-N 3.48Å
307	Q	78.8	Confident	75.7	Confident	85 Å²	85	66.5 Å²	66.5	40%	0.397	38%	0.38	S	S	.	.			trans	-76.7	131.5	-178.4	-66.8	178.2	-18.5	0	0	111.1	L294 R295 P305 M309	L294-Q307 CarbonylContact C-O 3.52Å; L294-Q307 WeakPolarHBondContact CA-O 3.35Å; R295-Q307 HydrophobicContact CB-CB 4.34Å; R295-Q307 PolarHBondContact N-O 3.35Å; P305-Q307 PolarHBondContact O-N 2.86Å; P305-Q307 VanDerWaalsContact O-N 3.12Å; Q307-M309 PolarHBondContact O-N 2.8Å
308	I	86.5	Confident	76.7	Confident	25 Å²	25	64.2 Å²	64.2	13%	0.128	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	116.2	172.4	-61	160.8	0	0	0	108.6	L253 L292 L294	L253-I308 HydrophobicContact CD1-CD1 3.6Å; L253-I308 HydrophobicContact CG-CD1 3.82Å; L292-I308 HydrophobicContact CB-CG2 4.33Å; L292-I308 HydrophobicContact CD1-CD1 4.29Å; L292-I308 HydrophobicContact CD1-CG2 4.41Å; L292-I308 HydrophobicContact CD2-CG2 4.15Å; L294-I308 HydrophobicContact CD2-CG1 3.88Å
309	M	89.8	Confident	77.3	Confident	14 Å²	14	59.8 Å²	59.8	7%	0.069	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-24	177.9	-62.1	169.7	60.9	0	0	112.6	F106 Q109 N166 Q167 R293 R295 Q307	F106-M309 HydrophobicContact CB-CE 4.27Å; F106-M309 HydrophobicContact CD2-CB 3.88Å; F106-M309 HydrophobicContact CD2-CE 3.75Å; F106-M309 HydrophobicContact CE2-CB 3.68Å; F106-M309 HydrophobicContact CE2-CE 4.35Å; F106-M309 HydrophobicContact CG-CE 4.05Å; F106-M309 VanDerWaalsContact O-CE 3.3Å; F106-M309 WeakPolarHBondContact O-CE 3.44Å; Q109-M309 HydrophobicContact CB-CE 3.64Å; Q109-M309 HydrophobicContact CB-SD 4.22Å; N166-M309 CarbonylContact C-O 3.56Å; N166-M309 WeakPolarHBondContact CA-O 3.37Å; Q167-M309 PolarHBondContact N-O 3.38Å; R293-M309 WeakPolarHBondContact O-CB 3.41Å; R293-M309 PolarHBondContact O-N 3.08Å; R295-M309 WeakPolarHBondContact CA-SD 3.25Å; R295-M309 HydrophobicContact CB-CG 3.66Å; R295-M309 HydrophobicContact CB-SD 3.83Å; Q307-M309 PolarHBondContact O-N 2.8Å
310	G	93.7	Very high	77.6	Confident	2 Å²	2	60.2 Å²	60.2	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147	-163.1	-171.9	0	0	0	0	0	112.9	L165 L292 R293	L165-G310 CarbonylContact O-C 2.98Å; L165-G310 VanDerWaalsContact O-CA 3.26Å; L165-G310 WeakPolarHBondContact O-CA 3.42Å; L292-G310 WeakPolarHBondContact CA-O 3.4Å; R293-G310 PolarHBondContact N-O 3.15Å
311	L	95.9	Very high	77.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.1	-170.4	174.8	60.7	0	0	0	110.4	A164 L165 L210 R261 F263 L292 V313	A164-L311 WeakPolarHBondContact CA-O 3.43Å; L165-L311 HydrophobicContact CB-CB 4.4Å; L165-L311 PolarHBondContact N-O 3.34Å; L165-L311 PolarHBondContact O-N 2.78Å; L210-L311 HydrophobicContact CD1-CD2 3.56Å; L210-L311 HydrophobicContact CG-CB 4.26Å; L210-L311 HydrophobicContact CG-CD2 4.14Å; R261-L311 HydrophobicContact CB-CD1 4.18Å; R261-L311 HydrophobicContact CG-CD1 4.04Å; F263-L311 HydrophobicContact CZ-CD2 4.49Å; L292-L311 HydrophobicContact CD2-CB 3.96Å; L292-L311 HydrophobicContact CD2-CD1 4.03Å; L311-V313 HydrophobicContact CD1-CG2 3.7Å; L311-V313 HydrophobicContact CD2-CG2 3.86Å; L311-V313 HydrophobicContact CG-CG2 3.56Å
312	V	97	Very high	77.8	Confident	36 Å²	36	51.5 Å²	51.5	22%	0.218	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.8	175.8	-173.4	0	0	0	0	109.3	F106 W114 A164 G290 R291 R293	F106-V312 HydrophobicContact CE1-CG2 3.63Å; F106-V312 HydrophobicContact CZ-CG2 3.61Å; W114-V312 HydrophobicContact CH2-CG1 3.89Å; W114-V312 HydrophobicContact CH2-CG2 3.75Å; W114-V312 HydrophobicContact CZ2-CG1 3.97Å; W114-V312 HydrophobicContact CZ2-CG2 3.93Å; A164-V312 HydrophobicContact CB-CG2 4.48Å; G290-V312 CarbonylContact C-O 3.57Å; G290-V312 WeakPolarHBondContact CA-O 3.43Å; R291-V312 PolarHBondContact N-O 3.47Å; R291-V312 PolarHBondContact O-N 2.88Å; R293-V312 HydrophobicContact CB-CG2 4.31Å
313	V	97.4	Very high	77.7	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.9	-161.6	156.1	0	0	0	0	113	V162 F163 I288 T289 L311 A315	V162-V313 WeakPolarHBondContact CA-O 3.33Å; F163-V313 HydrophobicContact CD1-CG1 4.15Å; F163-V313 HydrophobicContact CD2-CB 4.15Å; F163-V313 HydrophobicContact CD2-CG1 4.42Å; F163-V313 HydrophobicContact CE1-CB 4.4Å; F163-V313 HydrophobicContact CE1-CG1 3.65Å; F163-V313 HydrophobicContact CE2-CB 3.84Å; F163-V313 HydrophobicContact CE2-CG1 3.92Å; F163-V313 HydrophobicContact CE2-CG2 4.33Å; F163-V313 HydrophobicContact CZ-CB 3.99Å; F163-V313 HydrophobicContact CZ-CG1 3.52Å; F163-V313 PolarHBondContact N-O 2.68Å; F163-V313 PolarHBondContact O-N 2.79Å; I288-V313 HydrophobicContact CB-CG1 4.28Å; I288-V313 HydrophobicContact CG1-CG1 4.13Å; I288-V313 HydrophobicContact CG2-CB 4.33Å; I288-V313 HydrophobicContact CG2-CG1 3.73Å; I288-V313 HydrophobicContact CG2-CG2 3.54Å; T289-V313 CarbonylContact O-C 3.59Å; T289-V313 VanDerWaalsContact O-CA 3.26Å; T289-V313 WeakPolarHBondContact O-CA 3.34Å; L311-V313 HydrophobicContact CD1-CG2 3.7Å; L311-V313 HydrophobicContact CD2-CG2 3.86Å; L311-V313 HydrophobicContact CG-CG2 3.56Å; V313-A315 HydrophobicContact CG1-CB 3.99Å
314	V	97.3	Very high	77.7	Confident	41 Å²	41	45.2 Å²	45.2	25%	0.248	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.4	156	-172	0	0	0	0	107.8	L158 V162 T289	L158-V314 HydrophobicContact CD2-CG1 4.24Å; V162-V314 HydrophobicContact CG2-CG2 4.38Å; T289-V314 PolarHBondContact N-O 2.94Å; T289-V314 PolarHBondContact O-N 2.91Å; T289-V314 VanDerWaalsContact O-O 3.05Å; T289-V314 PolarHBondContact OG1-O 2.94Å
315	A	97.4	Very high	77.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.5	-172.8	0	0	0	0	0	110.8	G160 F161 F163 I286 H287 I288 V313	G160-A315 CarbonylContact C-O 3.56Å; G160-A315 VanDerWaalsContact CA-O 3.27Å; G160-A315 WeakPolarHBondContact CA-O 3.33Å; F161-A315 HydrophobicContact CD1-CB 4.42Å; F161-A315 HydrophobicContact CD2-CB 4.02Å; F161-A315 HydrophobicContact CE1-CB 4.11Å; F161-A315 HydrophobicContact CE2-CB 3.69Å; F161-A315 HydrophobicContact CG-CB 4.38Å; F161-A315 HydrophobicContact CZ-CB 3.73Å; F161-A315 PolarHBondContact N-O 2.79Å; F161-A315 PolarHBondContact O-N 3.34Å; F163-A315 HydrophobicContact CD1-CB 4.17Å; F163-A315 HydrophobicContact CE1-CB 3.68Å; I286-A315 HydrophobicContact CG2-CB 3.75Å; H287-A315 WeakPolarHBondContact O-CA 3.46Å; I288-A315 HydrophobicContact CG1-CB 4.46Å; V313-A315 HydrophobicContact CG1-CB 3.99Å
316	H	91.9	Very high	77.8	Confident	49 Å²	49	45.6 Å²	45.6	23%	0.227	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.2	-177.6	-59.7	-74.5	0	0	0	109.8	D159 I286 H287	D159-H316 PolarHBondContact O-ND1 2.92Å; I286-H316 CarbonylContact C-O 3.59Å; I286-H316 WeakPolarHBondContact CA-O 3.24Å; H287-H316 PolarHBondContact N-O 2.83Å; H287-H316 PolarHBondContact O-N 2.85Å
317	A	87.3	Confident	77.4	Confident	14 Å²	14	50.6 Å²	50.6	12%	0.116	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.9	170.3	0	0	0	0	0	108.9	Y181 I286	Y181-A317 HydrophobicContact CD1-CB 3.84Å; Y181-A317 HydrophobicContact CG-CB 4.31Å; I286-A317 HydrophobicContact CD1-CB 3.55Å
318	L	83.9	Confident	76.8	Confident	19 Å²	19	50.4 Å²	50.4	10%	0.099	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-67.3	142.7	-176.7	-61.2	-175.4	0	0	0	110.7	F264 V285 H287 Q390 V392	F264-L318 HydrophobicContact CD1-CD1 4.09Å; F264-L318 HydrophobicContact CE1-CD1 4.05Å; V285-L318 HydrophobicContact CB-CD1 4.37Å; V285-L318 HydrophobicContact CG1-CD1 3.9Å; V285-L318 PolarHBondContact O-N 2.91Å; H287-L318 HydrophobicContact CB-CD2 4.1Å; L318-Q390 HydrophobicContact CB-CB 4.4Å; L318-Q390 HydrophobicContact CD1-CB 3.65Å; L318-V392 HydrophobicContact CD1-CG2 4.34Å; L318-V392 HydrophobicContact CD2-CG2 3.51Å
319	P	71.4	Confident	75.8	Confident	60 Å²	60	54 Å²	54	39%	0.39	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-54.6	151.9	-178.6	-28.7	35.8	0	0	0	112.6	Q390	P319-Q390 PolarHBondContact O-NE2 2.95Å
320	P	63.6	Low	74.5	Confident	60 Å²	60	57.1 Å²	57.1	39%	0.39	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-60.6	156.1	178.8	-21.1	32.8	0	0	0	113.1	T322 E325	P320-T322 WeakPolarHBondContact CB-OG1 3.29Å; P320-T322 PolarHBondContact O-N 3.17Å; P320-E325 WeakPolarHBondContact CB-OE2 3.27Å
321	P	57.8	Low	74.2	Confident	55 Å²	55	61.8 Å²	61.8	36%	0.357	33%	0.329	S	S	.	.	S	Bend	trans	-64.6	3.8	179	27.1	-37.7	0	0	0	115.4	I323 T413	P321-I323 PolarHBondContact O-N 3.46Å; P321-T413 HydrophobicContact CB-CG2 3.52Å
322	T	56	Low	73.9	Confident	40 Å²	40	62.3 Å²	62.3	25%	0.245	33%	0.331	C	S	.	.			trans	-92	93.9	-170.6	9.1	0	0	0	0	109.9	K273 P320 N324 E325	K273-T322 PolarHBondContact NZ-OG1 3.09Å; P320-T322 WeakPolarHBondContact CB-OG1 3.29Å; P320-T322 PolarHBondContact O-N 3.17Å; T322-N324 PolarHBondContact O-N 2.71Å; T322-E325 WeakPolarHBondContact CB-OE2 3.3Å; T322-E325 WeakPolarHBondContact O-CB 3.45Å; T322-E325 PolarHBondContact O-N 2.97Å; T322-E325 VanDerWaalsContact OG1-CD 3.3Å; T322-E325 PolarHBondContact OG1-OE2 3.26Å
323	I	56	Low	73.7	Confident	73 Å²	73	60.6 Å²	60.6	37%	0.374	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-49.2	-33.9	-178.8	-170.6	171.2	0	0	0	113.5	P321 E325 V326 V334 I427	P321-I323 PolarHBondContact O-N 3.46Å; I323-E325 PolarHBondContact O-N 3.47Å; I323-E325 VanDerWaalsContact O-N 3.12Å; I323-V326 WeakPolarHBondContact O-CB 3.42Å; I323-V326 PolarHBondContact O-N 2.97Å; I323-V334 HydrophobicContact CD1-CG1 4.09Å; I323-I427 HydrophobicContact CD1-CG2 4.3Å
324	N	53.6	Low	73.5	Confident	154 Å²	154	60.7 Å²	60.7	82%	0.824	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-60	-19.5	176.7	-57	27.9	0	0	0	114.4	T322	T322-N324 PolarHBondContact O-N 2.71Å
325	E	53	Low	73.3	Confident	113 Å²	113	58.7 Å²	58.7	53%	0.528	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-90.9	-11.5	177.1	-63.7	168.4	159	0	0	112	P320 T322 I323 R327	P320-E325 WeakPolarHBondContact CB-OE2 3.27Å; T322-E325 WeakPolarHBondContact CB-OE2 3.3Å; T322-E325 WeakPolarHBondContact O-CB 3.45Å; T322-E325 PolarHBondContact O-N 2.97Å; T322-E325 VanDerWaalsContact OG1-CD 3.3Å; T322-E325 PolarHBondContact OG1-OE2 3.26Å; I323-E325 PolarHBondContact O-N 3.47Å; I323-E325 VanDerWaalsContact O-N 3.12Å; E325-R327 PolarHBondContact O-N 3Å
326	V	57.4	Low	73.2	Confident	39 Å²	39	62.8 Å²	62.8	24%	0.236	33%	0.325	C	S	.	.			trans	-75.3	97.6	178.1	-176.6	0	0	0	0	109.1	I323 I328	I323-V326 WeakPolarHBondContact O-CB 3.42Å; I323-V326 PolarHBondContact O-N 2.97Å; V326-I328 PolarHBondContact O-N 3.24Å
327	R	60.6	Low	73.4	Confident	181 Å²	181	60.4 Å²	60.4	68%	0.683	31%	0.314	S	S	*	.			trans	-63.2	102.9	163.2	-66.2	-173.7	-175.7	-174.5	1.4	108.4	E325 R830	E325-R327 PolarHBondContact O-N 3Å; R327-R830 PolarHBondContact O-NH1 3.14Å; R327-R830 VanDerWaalsContact O-NH1 3.11Å
328	I	64.8	Low	73.8	Confident	81 Å²	81	63 Å²	63	42%	0.415	33%	0.326	S	S	.	.			trans	-67.1	123.7	170.4	-70.1	173.3	0	0	0	107.7	V326 M332 E347 R349	V326-I328 PolarHBondContact O-N 3.24Å; I328-M332 HydrophobicContact CG2-CG 4.4Å; I328-E347 WeakPolarHBondContact CD1-OE1 3.29Å; I328-R349 VanDerWaalsContact CG2-CZ 3.48Å
329	D	65.9	Low	74.4	Confident	101 Å²	101	65.3 Å²	65.3	54%	0.54	34%	0.337	S	S	.	.			trans	-105.1	179.9	175.5	-146.3	-25.4	0	0	0	110	M332	D329-M332 HydrophobicContact CB-CE 3.5Å; D329-M332 HydrophobicContact CB-SD 4.18Å; D329-M332 PolarHBondContact N-SD 3.07Å; D329-M332 VanDerWaalsContact N-SD 3.41Å
330	C	63.4	Low	75.6	Confident	78 Å²	78	65.4 Å²	65.4	53%	0.527	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	154.5	161	58	0	0	0	0	110.8	M332	C330-M332 VanDerWaalsContact C-N 3.31Å; C330-M332 PolarHBondContact O-N 2.71Å
331	H	86.6	Confident	77.2	Confident	100 Å²	100	62.5 Å²	62.5	46%	0.463	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	27.5	178.3	-52.7	-73.5	0	0	0	115.4	Y353 L432	H331-Y353 PolarHBondContact N-OH 3.46Å; H331-Y353 VanDerWaalsContact N-OH 3.1Å; H331-L432 HydrophobicContact CB-CB 4.17Å; H331-L432 WeakPolarHBondContact O-CB 3.24Å; H331-L432 PolarHBondContact O-N 3.03Å
332	M	90.3	Very high	79.1	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.059	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.8	167	70.4	-178.1	63.4	0	0	113.3	I328 D329 C330 R349 N430 Y431 R830	I328-M332 HydrophobicContact CG2-CG 4.4Å; D329-M332 HydrophobicContact CB-CE 3.5Å; D329-M332 HydrophobicContact CB-SD 4.18Å; D329-M332 PolarHBondContact N-SD 3.07Å; D329-M332 VanDerWaalsContact N-SD 3.41Å; C330-M332 VanDerWaalsContact C-N 3.31Å; C330-M332 PolarHBondContact O-N 2.71Å; M332-R349 VanDerWaalsContact O-CZ 3.22Å; M332-R349 PolarHBondContact O-NH1 2.9Å; M332-R349 PolarHBondContact O-NH2 2.69Å; M332-N430 CarbonylContact C-O 3.59Å; M332-N430 WeakPolarHBondContact CA-O 3.47Å; M332-N430 VanDerWaalsContact CB-O 3.25Å; M332-N430 WeakPolarHBondContact CB-O 3.37Å; M332-Y431 HydrophobicContact CB-CD1 3.77Å; M332-Y431 HydrophobicContact CB-CE1 4.23Å; M332-Y431 HydrophobicContact CE-CD1 3.9Å; M332-Y431 HydrophobicContact CE-CE1 3.78Å; M332-Y431 HydrophobicContact SD-CD1 4.36Å; M332-Y431 HydrophobicContact SD-CE1 3.96Å; M332-R830 PolarHBondContact SD-NH2 3.46Å
333	F	92.1	Very high	81.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.6	176.3	70.5	-86.4	0	0	0	112.1	T335 E347 I350 Y353 M354 I408 N430	F333-T335 HydrophobicContact CD2-CG2 4.4Å; F333-T335 HydrophobicContact CE2-CG2 4.08Å; F333-E347 WeakPolarHBondContact CA-OE2 3.22Å; F333-I350 HydrophobicContact CD2-CB 4.21Å; F333-I350 HydrophobicContact CD2-CG1 4.37Å; F333-I350 HydrophobicContact CE2-CB 4.35Å; F333-I350 HydrophobicContact CE2-CD1 3.89Å; F333-I350 HydrophobicContact CE2-CG1 4.02Å; F333-I350 HydrophobicContact CZ-CD1 4.17Å; F333-I350 HydrophobicContact CZ-CG1 4.12Å; F333-Y353 HydrophobicContact CD1-CD2 4.19Å; F333-M354 HydrophobicContact CE1-SD 4.11Å; F333-M354 HydrophobicContact CZ-SD 3.92Å; F333-I408 HydrophobicContact CE1-CD1 4.18Å; F333-I408 HydrophobicContact CZ-CD1 4.21Å; F333-N430 HydrophobicContact CD1-CB 3.99Å; F333-N430 HydrophobicContact CD2-CB 4.39Å; F333-N430 HydrophobicContact CE1-CB 3.68Å; F333-N430 HydrophobicContact CE2-CB 4.1Å; F333-N430 VanDerWaalsContact CE2-ND2 3.34Å; F333-N430 WeakPolarHBondContact CE2-ND2 3.44Å; F333-N430 HydrophobicContact CG-CB 4.34Å; F333-N430 HydrophobicContact CZ-CB 3.74Å; F333-N430 PolarHBondContact N-O 2.94Å; F333-N430 WeakPolarHBondContact O-CB 3.29Å; F333-N430 PolarHBondContact O-N 3.25Å; F333-N430 PolarHBondContact O-ND2 3.35Å
334	V	92.5	Very high	83	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.3	-177.4	-170.6	0	0	0	0	111.7	I323 E347 I427 V429	I323-V334 HydrophobicContact CD1-CG1 4.09Å; V334-E347 HydrophobicContact CB-CG 4.23Å; V334-E347 PolarHBondContact N-OE2 3.08Å; V334-E347 PolarHBondContact O-N 2.83Å; V334-E347 VanDerWaalsContact O-N 3.14Å; V334-I427 HydrophobicContact CG1-CG2 3.88Å; V334-V429 HydrophobicContact CG1-CG2 4.47Å; V334-V429 HydrophobicContact CG2-CG1 4.5Å; V334-V429 HydrophobicContact CG2-CG2 4.33Å
335	T	94.6	Very high	85	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147.2	162.9	42.5	0	0	0	0	110.3	F333 I343 Y345 C346 W428 N430	F333-T335 HydrophobicContact CD2-CG2 4.4Å; F333-T335 HydrophobicContact CE2-CG2 4.08Å; T335-I343 HydrophobicContact CG2-CG2 4.47Å; T335-Y345 CarbonylContact C-O 3.57Å; T335-Y345 WeakPolarHBondContact CA-O 3.35Å; T335-C346 HydrophobicContact CG2-CB 3.81Å; T335-C346 VanDerWaalsContact CG2-SG 3.56Å; T335-W428 PolarHBondContact N-O 3.16Å; T335-W428 PolarHBondContact O-N 2.94Å; T335-W428 PolarHBondContact OG1-O 3.45Å; T335-N430 PolarHBondContact OG1-ND2 2.91Å; T335-N430 VanDerWaalsContact OG1-ND2 3.15Å
336	R	94.7	Very high	87	Confident	85 Å²	85	51.5 Å²	51.5	32%	0.321	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124	168.2	-179.7	178.9	68.8	-103.5	0.7	108.2	I344 Y345 N425 I426 I427	R336-I344 HydrophobicContact CG-CD1 4.45Å; R336-I344 WeakPolarHBondContact O-CB 3.49Å; R336-I344 PolarHBondContact O-N 3.43Å; R336-Y345 HydrophobicContact CB-CD1 4.31Å; R336-Y345 PolarHBondContact N-O 3.31Å; R336-Y345 PolarHBondContact O-N 3.43Å; R336-Y345 VanDerWaalsContact O-N 3.15Å; R336-N425 WeakPolarHBondContact CD-OD1 3.45Å; R336-N425 HydrophobicContact CG-CB 4.1Å; R336-I426 WeakPolarHBondContact CA-O 3.4Å; R336-I427 HydrophobicContact CB-CD1 4.4Å; R336-I427 HydrophobicContact CG-CD1 4.08Å
337	V	96.6	Very high	88.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.7	-171.6	-48.1	0	0	0	0	111.4	L341 N342 I343 I426	V337-L341 HydrophobicContact CG2-CD2 3.73Å; V337-N342 CarbonylContact C-O 3.59Å; V337-N342 WeakPolarHBondContact CA-O 3.38Å; V337-N342 WeakPolarHBondContact CB-O 3.29Å; V337-I343 HydrophobicContact CG1-CB 4.48Å; V337-I343 HydrophobicContact CG1-CG1 4.02Å; V337-I426 HydrophobicContact CG2-CB 3.63Å; V337-I426 HydrophobicContact CG2-CD1 4.46Å; V337-I426 HydrophobicContact CG2-CG2 3.72Å; V337-I426 PolarHBondContact N-O 3.41Å; V337-I426 PolarHBondContact O-N 3.27Å
338	N	95.8	Very high	90.3	Very high	68 Å²	68	48.1 Å²	48.1	36%	0.364	24%	0.243	S	C	.	.			trans	-72.4	171.7	171.5	-88.8	-27.2	0	0	0	111.2	D340 L341 N342 I344	N338-D340 WeakPolarHBondContact CB-OD1 3.19Å; N338-D340 PolarHBondContact O-N 2.65Å; N338-L341 WeakPolarHBondContact O-CA 3.46Å; N338-L341 PolarHBondContact O-N 2.99Å; N338-N342 HydrophobicContact CB-CB 4.23Å; N338-N342 PolarHBondContact N-O 2.85Å; N338-I344 HydrophobicContact CB-CD1 4.44Å; N338-I344 WeakPolarHBondContact OD1-CD1 3.46Å
339	M	95.1	Very high	91.6	Very high	67 Å²	67	47.2 Å²	47.2	33%	0.33	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-5.9	176.9	-61.8	-64.3	-67.5	0	0	114.6	H382 L386 I414 K424 I426	M339-H382 PolarHBondContact O-NE2 3.47Å; M339-L386 HydrophobicContact CE-CD2 3.42Å; M339-L386 VanDerWaalsContact CE-CD2 3.42Å; M339-I414 HydrophobicContact CE-CD1 3.92Å; M339-I414 HydrophobicContact SD-CD1 4.44Å; M339-I414 HydrophobicContact SD-CG2 4.43Å; M339-K424 HydrophobicContact CG-CB 4.33Å; M339-K424 HydrophobicContact SD-CB 3.91Å; M339-I426 HydrophobicContact SD-CD1 4.2Å; M339-I426 HydrophobicContact SD-CG1 4.22Å
340	D	96.7	Very high	92.9	Very high	62 Å²	62	42.4 Å²	42.4	33%	0.332	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	6.9	172.1	73.9	-34.3	0	0	0	113.2	N338 N342 R365	N338-D340 WeakPolarHBondContact CB-OD1 3.19Å; N338-D340 PolarHBondContact O-N 2.65Å; D340-N342 VanDerWaalsContact C-N 3.33Å; D340-N342 WeakPolarHBondContact OD1-CB 3.33Å; D340-N342 PolarHBondContact OD1-N 3.42Å; D340-R365 WeakPolarHBondContact OD2-CD 3.22Å
341	L	97.5	Very high	94.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.			trans	62.7	25.1	-168.2	-49.8	179.6	0	0	0	115.3	V337 N338 R365 C366 Y367 I378 H382 I426 W428	V337-L341 HydrophobicContact CG2-CD2 3.73Å; N338-L341 WeakPolarHBondContact O-CA 3.46Å; N338-L341 PolarHBondContact O-N 2.99Å; L341-R365 CarbonylContact O-C 3.54Å; L341-R365 VanDerWaalsContact O-CA 3.31Å; L341-R365 WeakPolarHBondContact O-CA 3.22Å; L341-C366 HydrophobicContact CB-CB 4.08Å; L341-C366 PolarHBondContact O-N 3.43Å; L341-C366 PolarHBondContact O-SG 2.95Å; L341-Y367 HydrophobicContact CD1-CE2 4.19Å; L341-I378 HydrophobicContact CD1-CG2 4.47Å; L341-H382 HydrophobicContact CD1-CB 4.26Å; L341-I426 HydrophobicContact CD2-CD1 4.07Å; L341-W428 HydrophobicContact CD1-CH2 4.46Å; L341-W428 HydrophobicContact CD1-CZ3 4.38Å; L341-W428 HydrophobicContact CD2-CE3 4.05Å; L341-W428 HydrophobicContact CD2-CZ3 3.85Å
342	N	97.9	Very high	94.6	Very high	38 Å²	38	41.8 Å²	41.8	20%	0.203	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-71.7	127	167.2	-168.6	-10.1	0	0	0	111.2	V337 N338 D340 I344 G363 K364 R365	V337-N342 CarbonylContact C-O 3.59Å; V337-N342 WeakPolarHBondContact CA-O 3.38Å; V337-N342 WeakPolarHBondContact CB-O 3.29Å; N338-N342 HydrophobicContact CB-CB 4.23Å; N338-N342 PolarHBondContact N-O 2.85Å; D340-N342 VanDerWaalsContact C-N 3.33Å; D340-N342 WeakPolarHBondContact OD1-CB 3.33Å; D340-N342 PolarHBondContact OD1-N 3.42Å; N342-I344 PolarHBondContact O-N 3.15Å; N342-G363 WeakPolarHBondContact OD1-CA 3.19Å; N342-G363 PolarHBondContact OD1-O 3.47Å; N342-K364 PolarHBondContact OD1-N 3.44Å; N342-K364 PolarHBondContact OD1-O 3.49Å; N342-R365 HydrophobicContact CB-CG 3.87Å
343	I	97.8	Very high	94.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	109.9	-173.1	-58.6	169.3	0	0	0	110	T335 V337 I361 V362 G363 K364 F369 W398	T335-I343 HydrophobicContact CG2-CG2 4.47Å; V337-I343 HydrophobicContact CG1-CB 4.48Å; V337-I343 HydrophobicContact CG1-CG1 4.02Å; I343-I361 HydrophobicContact CD1-CB 4.18Å; I343-I361 HydrophobicContact CD1-CD1 4.32Å; I343-I361 HydrophobicContact CG2-CD1 4.43Å; I343-I361 HydrophobicContact CG2-CG1 4.5Å; I343-V362 HydrophobicContact CG2-CG2 4.1Å; I343-V362 CarbonylContact O-C 3.51Å; I343-V362 WeakPolarHBondContact O-CA 3.27Å; I343-G363 PolarHBondContact O-N 3.19Å; I343-K364 WeakPolarHBondContact CB-O 3.5Å; I343-K364 WeakPolarHBondContact CG1-O 3.27Å; I343-K364 PolarHBondContact N-O 2.99Å; I343-F369 HydrophobicContact CD1-CD2 4.34Å; I343-F369 HydrophobicContact CD1-CE2 4.11Å; I343-W398 HydrophobicContact CD1-CH2 4.3Å; I343-W398 HydrophobicContact CD1-CZ2 4.23Å
344	I	96.1	Very high	94.7	Very high	68 Å²	68	43.8 Å²	43.8	35%	0.349	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-31.6	178.4	-39.7	171.5	0	0	0	110.7	R336 N338 N342 N425	R336-I344 HydrophobicContact CG-CD1 4.45Å; R336-I344 WeakPolarHBondContact O-CB 3.49Å; R336-I344 PolarHBondContact O-N 3.43Å; N338-I344 HydrophobicContact CB-CD1 4.44Å; N338-I344 WeakPolarHBondContact OD1-CD1 3.46Å; N342-I344 PolarHBondContact O-N 3.15Å; I344-N425 HydrophobicContact CD1-CB 4.45Å
345	Y	95.8	Very high	94.7	Very high	93 Å²	93	45.9 Å²	45.9	37%	0.365	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	145.2	-175.3	165.1	-91.3	0	0	0	110.9	T335 R336 E347	T335-Y345 CarbonylContact C-O 3.57Å; T335-Y345 WeakPolarHBondContact CA-O 3.35Å; R336-Y345 HydrophobicContact CB-CD1 4.31Å; R336-Y345 PolarHBondContact N-O 3.31Å; R336-Y345 PolarHBondContact O-N 3.43Å; R336-Y345 VanDerWaalsContact O-N 3.15Å; Y345-E347 HydrophobicContact CE1-CG 4.1Å
346	C	95.8	Very high	94.7	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.6	167.8	-173	0	0	0	0	109.8	T335 P358 I361	T335-C346 HydrophobicContact CG2-CB 3.81Å; T335-C346 VanDerWaalsContact CG2-SG 3.56Å; C346-P358 HydrophobicContact CB-CB 4.19Å; C346-P358 HydrophobicContact CB-CG 4.47Å; C346-I361 HydrophobicContact CB-CD1 3.67Å; C346-I361 HydrophobicContact CB-CG1 4.36Å
347	E	93.1	Very high	94.7	Very high	26 Å²	26	44.7 Å²	44.7	12%	0.121	23%	0.229	C	C	.	.			trans	-64.4	143.1	167.6	-67.9	176.8	158.8	0	0	111.7	I328 F333 V334 Y345 R349 I350	I328-E347 WeakPolarHBondContact CD1-OE1 3.29Å; F333-E347 WeakPolarHBondContact CA-OE2 3.22Å; V334-E347 HydrophobicContact CB-CG 4.23Å; V334-E347 PolarHBondContact N-OE2 3.08Å; V334-E347 PolarHBondContact O-N 2.83Å; V334-E347 VanDerWaalsContact O-N 3.14Å; Y345-E347 HydrophobicContact CE1-CG 4.1Å; E347-R349 PolarHBondContact O-N 3.27Å; E347-R349 VanDerWaalsContact O-N 3.11Å; E347-R349 IonicContact OE2-CZ 3.64Å; E347-R349 IonicContact OE2-NE 2.62Å; E347-R349 IonicContact OE2-NH2 2.97Å; E347-R349 PolarHBondContact OE2-NH2 2.9Å; E347-I350 WeakPolarHBondContact O-CG2 3.26Å; E347-I350 PolarHBondContact O-N 3.5Å
348	N	94	Very high	94.7	Very high	122 Å²	122	45.7 Å²	45.7	65%	0.652	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-60	-22	179.3	-61.6	74.3	0	0	0	114.5	I350 S351	N348-I350 PolarHBondContact O-N 3.07Å; N348-I350 VanDerWaalsContact O-N 3.12Å; N348-S351 PolarHBondContact O-N 2.68Å; N348-S351 PolarHBondContact O-OG 3.44Å
349	R	90.5	Very high	94.6	Very high	63 Å²	63	48.7 Å²	48.7	24%	0.238	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-67.5	-5.4	179.7	-60.7	-175.6	-55.9	108.7	11.5	114.1	I328 M332 E347 S351 D352 Y353	I328-R349 VanDerWaalsContact CG2-CZ 3.48Å; M332-R349 VanDerWaalsContact O-CZ 3.22Å; M332-R349 PolarHBondContact O-NH1 2.9Å; M332-R349 PolarHBondContact O-NH2 2.69Å; E347-R349 PolarHBondContact O-N 3.27Å; E347-R349 VanDerWaalsContact O-N 3.11Å; E347-R349 IonicContact OE2-CZ 3.64Å; E347-R349 IonicContact OE2-NE 2.62Å; E347-R349 IonicContact OE2-NH2 2.97Å; E347-R349 PolarHBondContact OE2-NH2 2.9Å; R349-S351 PolarHBondContact O-N 3.01Å; R349-D352 WeakPolarHBondContact CA-OD2 3.3Å; R349-D352 VanDerWaalsContact CB-OD2 3.31Å; R349-D352 WeakPolarHBondContact CB-OD2 3.47Å; R349-D352 WeakPolarHBondContact O-CB 3.27Å; R349-D352 PolarHBondContact O-N 3.33Å; R349-D352 VanDerWaalsContact O-N 3.11Å; R349-Y353 WeakPolarHBondContact O-CD2 3.28Å
350	I	93.9	Very high	94.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-55.7	-37.7	166.4	-169.5	174.1	0	0	0	111.5	F333 E347 N348 D352 Y353 M354 P358 I361	F333-I350 HydrophobicContact CD2-CB 4.21Å; F333-I350 HydrophobicContact CD2-CG1 4.37Å; F333-I350 HydrophobicContact CE2-CB 4.35Å; F333-I350 HydrophobicContact CE2-CD1 3.89Å; F333-I350 HydrophobicContact CE2-CG1 4.02Å; F333-I350 HydrophobicContact CZ-CD1 4.17Å; F333-I350 HydrophobicContact CZ-CG1 4.12Å; E347-I350 WeakPolarHBondContact O-CG2 3.26Å; E347-I350 PolarHBondContact O-N 3.5Å; N348-I350 PolarHBondContact O-N 3.07Å; N348-I350 VanDerWaalsContact O-N 3.12Å; I350-D352 PolarHBondContact O-N 3.46Å; I350-D352 VanDerWaalsContact O-N 3.17Å; I350-Y353 PolarHBondContact O-N 3Å; I350-Y353 VanDerWaalsContact O-N 3.07Å; I350-M354 HydrophobicContact CD1-SD 3.75Å; I350-M354 HydrophobicContact CG1-CB 4.19Å; I350-M354 HydrophobicContact CG1-CG 4.18Å; I350-M354 HydrophobicContact CG1-SD 3.44Å; I350-M354 WeakPolarHBondContact CG1-SD 3Å; I350-M354 WeakPolarHBondContact O-CB 3.46Å; I350-M354 PolarHBondContact O-N 2.87Å; I350-P358 HydrophobicContact CG2-CG 3.89Å; I350-I361 HydrophobicContact CD1-CD1 3.46Å; I350-I361 VanDerWaalsContact CD1-CD1 3.46Å
351	S	93.5	Very high	94.6	Very high	58 Å²	58	44.1 Å²	44.1	41%	0.406	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-66.5	-13.1	177.2	-51.6	0	0	0	0	114.2	N348 R349 Y353	N348-S351 PolarHBondContact O-N 2.68Å; N348-S351 PolarHBondContact O-OG 3.44Å; R349-S351 PolarHBondContact O-N 3.01Å; S351-Y353 VanDerWaalsContact C-N 3.28Å
352	D	92.4	Very high	94.6	Very high	107 Å²	107	47.2 Å²	47.2	57%	0.572	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-78.7	-16.9	175.4	-54.6	-25.5	0	0	0	111.5	R349 I350	R349-D352 WeakPolarHBondContact CA-OD2 3.3Å; R349-D352 VanDerWaalsContact CB-OD2 3.31Å; R349-D352 WeakPolarHBondContact CB-OD2 3.47Å; R349-D352 WeakPolarHBondContact O-CB 3.27Å; R349-D352 PolarHBondContact O-N 3.33Å; R349-D352 VanDerWaalsContact O-N 3.11Å; I350-D352 PolarHBondContact O-N 3.46Å; I350-D352 VanDerWaalsContact O-N 3.17Å
353	Y	90.9	Very high	94.5	Very high	42 Å²	42	48 Å²	48	17%	0.165	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-16.9	-170	-51.7	-44.3	0	0	0	113.8	H331 F333 R349 I350 S351 L432	H331-Y353 PolarHBondContact N-OH 3.46Å; H331-Y353 VanDerWaalsContact N-OH 3.1Å; F333-Y353 HydrophobicContact CD1-CD2 4.19Å; R349-Y353 WeakPolarHBondContact O-CD2 3.28Å; I350-Y353 PolarHBondContact O-N 3Å; I350-Y353 VanDerWaalsContact O-N 3.07Å; S351-Y353 VanDerWaalsContact C-N 3.28Å; Y353-L432 HydrophobicContact CD1-CD2 3.79Å; Y353-L432 HydrophobicContact CG-CD2 3.81Å
354	M	94.1	Very high	94.4	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.059	29%	0.287	C	S	.	.	S	Bend	trans	-141.7	156.1	-170.5	-56.1	175.2	73.4	0	0	110.7	F333 I350 L356 W398 I406	F333-M354 HydrophobicContact CE1-SD 4.11Å; F333-M354 HydrophobicContact CZ-SD 3.92Å; I350-M354 HydrophobicContact CD1-SD 3.75Å; I350-M354 HydrophobicContact CG1-CB 4.19Å; I350-M354 HydrophobicContact CG1-CG 4.18Å; I350-M354 HydrophobicContact CG1-SD 3.44Å; I350-M354 WeakPolarHBondContact CG1-SD 3Å; I350-M354 WeakPolarHBondContact O-CB 3.46Å; I350-M354 PolarHBondContact O-N 2.87Å; M354-L356 HydrophobicContact CE-CD1 4.02Å; M354-L356 PolarHBondContact O-N 2.83Å; M354-W398 HydrophobicContact CE-CB 4.41Å; M354-W398 HydrophobicContact CE-CD2 4.27Å; M354-W398 HydrophobicContact CE-CG 3.77Å; M354-I406 HydrophobicContact CE-CD1 3.88Å; M354-I406 HydrophobicContact CE-CG1 4.24Å; M354-I406 HydrophobicContact CG-CD1 3.55Å; M354-I406 HydrophobicContact CG-CG1 4.47Å; M354-I406 HydrophobicContact SD-CD1 3.63Å
355	D	92.7	Very high	94.5	Very high	47 Å²	47	54.2 Å²	54.2	25%	0.251	29%	0.29	S	S	.	.	S	Bend	trans	-81.4	7.5	172.4	67.1	-13.1	0	0	0	114.2	Q400 K401 N402	D355-Q400 WeakPolarHBondContact OD1-CA 3.25Å; D355-Q400 VanDerWaalsContact OD1-CB 3.31Å; D355-Q400 WeakPolarHBondContact OD1-CB 3.38Å; D355-Q400 PolarHBondContact OD1-OE1 3.49Å; D355-K401 HydrophobicContact CB-CB 4.49Å; D355-K401 VanDerWaalsContact CG-CB 3.5Å; D355-K401 PolarHBondContact OD1-N 2.88Å; D355-K401 WeakPolarHBondContact OD2-CA 3.11Å; D355-K401 VanDerWaalsContact OD2-CB 3.27Å; D355-K401 WeakPolarHBondContact OD2-CB 3.45Å; D355-K401 PolarHBondContact OD2-N 3.24Å; D355-N402 WeakPolarHBondContact OD2-CB 3.36Å; D355-N402 PolarHBondContact OD2-N 3.16Å; D355-N402 PolarHBondContact OD2-ND2 2.94Å; D355-N402 PolarHBondContact OD2-OD1 2.88Å
356	L	93.3	Very high	94.6	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	27%	0.273	C	S	.	.			trans	-102.4	129.1	175.3	-71.4	167.7	0	0	0	110.1	M354 D360 I361 F369 K401	M354-L356 HydrophobicContact CE-CD1 4.02Å; M354-L356 PolarHBondContact O-N 2.83Å; L356-D360 HydrophobicContact CB-CB 4.48Å; L356-D360 HydrophobicContact CD2-CB 3.61Å; L356-I361 HydrophobicContact CB-CG2 4Å; L356-I361 HydrophobicContact CD1-CG2 3.96Å; L356-I361 HydrophobicContact CD2-CG2 4.07Å; L356-I361 HydrophobicContact CG-CG2 4.25Å; L356-F369 HydrophobicContact CD1-CD1 4.06Å; L356-F369 HydrophobicContact CD1-CE1 4.07Å; L356-F369 HydrophobicContact CD2-CE1 4.39Å; L356-K401 HydrophobicContact CD2-CB 3.79Å; L356-K401 HydrophobicContact CD2-CD 4.25Å; L356-K401 HydrophobicContact CD2-CG 4.24Å; L356-K401 HydrophobicContact CG-CB 4.17Å
357	T	95.5	Very high	94.7	Very high	53 Å²	53	53.2 Å²	53.2	33%	0.325	29%	0.285	S	S	.	.			trans	-89.7	167.8	168.6	75.7	0	0	0	0	110.6	V359 D360	T357-V359 PolarHBondContact O-N 3.39Å; T357-V359 VanDerWaalsContact O-N 3.13Å; T357-V359 PolarHBondContact OG1-N 2.89Å; T357-D360 WeakPolarHBondContact CA-OD2 3.2Å; T357-D360 WeakPolarHBondContact CB-OD2 3.36Å; T357-D360 PolarHBondContact N-OD2 2.78Å; T357-D360 WeakPolarHBondContact O-CB 3.5Å; T357-D360 PolarHBondContact O-N 2.97Å; T357-D360 PolarHBondContact OG1-OD2 2.85Å
358	P	95.9	Very high	94.9	Very high	21 Å²	21	56.1 Å²	56.1	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-55	-29.8	172	-27.3	36.4	0	0	0	114	C346 I350 I361 V362	C346-P358 HydrophobicContact CB-CB 4.19Å; C346-P358 HydrophobicContact CB-CG 4.47Å; I350-P358 HydrophobicContact CG2-CG 3.89Å; P358-I361 PolarHBondContact O-N 2.58Å; P358-V362 WeakPolarHBondContact O-CB 3.29Å; P358-V362 VanDerWaalsContact O-CG2 3.25Å; P358-V362 WeakPolarHBondContact O-CG2 3.27Å; P358-V362 PolarHBondContact O-N 2.78Å
359	V	95.3	Very high	95	Very high	131 Å²	131	51 Å²	51	79%	0.794	27%	0.271	S	S	*	.	H	α-helix	trans	-70.9	-31.9	179.4	-174.8	0	0	0	0	111.4	T357 I361	T357-V359 PolarHBondContact O-N 3.39Å; T357-V359 VanDerWaalsContact O-N 3.13Å; T357-V359 PolarHBondContact OG1-N 2.89Å; V359-I361 VanDerWaalsContact C-N 3.26Å; V359-I361 PolarHBondContact O-N 3.37Å
360	D	94.3	Very high	95.3	Very high	33 Å²	33	48.2 Å²	48.2	18%	0.176	26%	0.26	C	S	.	.	H	α-helix	trans	-70.9	-20.8	178.5	-62.8	-83.2	0	0	0	113.2	L356 T357 K364 K401	L356-D360 HydrophobicContact CB-CB 4.48Å; L356-D360 HydrophobicContact CD2-CB 3.61Å; T357-D360 WeakPolarHBondContact CA-OD2 3.2Å; T357-D360 WeakPolarHBondContact CB-OD2 3.36Å; T357-D360 PolarHBondContact N-OD2 2.78Å; T357-D360 WeakPolarHBondContact O-CB 3.5Å; T357-D360 PolarHBondContact O-N 2.97Å; T357-D360 PolarHBondContact OG1-OD2 2.85Å; D360-K364 WeakPolarHBondContact O-CD 3.4Å; D360-K364 WeakPolarHBondContact O-CE 3.15Å; D360-K364 PolarHBondContact O-NZ 3.26Å; D360-K401 WeakPolarHBondContact OD1-CE 3.47Å; D360-K401 IonicContact OD1-NZ 2.67Å; D360-K401 PolarHBondContact OD1-NZ 3.42Å; D360-K401 IonicContact OD2-NZ 3.95Å
361	I	95.9	Very high	95.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-119.2	-26.5	-167.6	67.4	165.2	0	0	0	115.5	I343 C346 I350 L356 P358 V359 K364 F369	I343-I361 HydrophobicContact CD1-CB 4.18Å; I343-I361 HydrophobicContact CD1-CD1 4.32Å; I343-I361 HydrophobicContact CG2-CD1 4.43Å; I343-I361 HydrophobicContact CG2-CG1 4.5Å; C346-I361 HydrophobicContact CB-CD1 3.67Å; C346-I361 HydrophobicContact CB-CG1 4.36Å; I350-I361 HydrophobicContact CD1-CD1 3.46Å; I350-I361 VanDerWaalsContact CD1-CD1 3.46Å; L356-I361 HydrophobicContact CB-CG2 4Å; L356-I361 HydrophobicContact CD1-CG2 3.96Å; L356-I361 HydrophobicContact CD2-CG2 4.07Å; L356-I361 HydrophobicContact CG-CG2 4.25Å; P358-I361 PolarHBondContact O-N 2.58Å; V359-I361 VanDerWaalsContact C-N 3.26Å; V359-I361 PolarHBondContact O-N 3.37Å; I361-K364 PolarHBondContact O-N 2.95Å; I361-F369 HydrophobicContact CB-CE2 4.02Å; I361-F369 HydrophobicContact CB-CZ 3.87Å; I361-F369 HydrophobicContact CG2-CE1 3.93Å; I361-F369 HydrophobicContact CG2-CE2 4.06Å; I361-F369 HydrophobicContact CG2-CZ 3.55Å
362	V	97.2	Very high	95.7	Very high	66 Å²	66	51 Å²	51	40%	0.4	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	139.7	177.9	166.8	0	0	0	0	110.3	I343 P358 K364	I343-V362 HydrophobicContact CG2-CG2 4.1Å; I343-V362 CarbonylContact O-C 3.51Å; I343-V362 WeakPolarHBondContact O-CA 3.27Å; P358-V362 WeakPolarHBondContact O-CB 3.29Å; P358-V362 VanDerWaalsContact O-CG2 3.25Å; P358-V362 WeakPolarHBondContact O-CG2 3.27Å; P358-V362 PolarHBondContact O-N 2.78Å; V362-K364 VanDerWaalsContact C-N 3.27Å; V362-K364 PolarHBondContact O-N 2.94Å
363	G	96.4	Very high	96	Very high	53 Å²	53	50.6 Å²	50.6	55%	0.546	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-8.1	-174.1	0	0	0	0	0	115.1	N342 I343	N342-G363 WeakPolarHBondContact OD1-CA 3.19Å; N342-G363 PolarHBondContact OD1-O 3.47Å; I343-G363 PolarHBondContact O-N 3.19Å
364	K	96.9	Very high	96.3	Very high	93 Å²	93	49.6 Å²	49.6	40%	0.404	27%	0.273	S	S	.	.	S	Bend	trans	-99.7	151.7	172.1	-65.4	166.4	-176	169.3	0	110.3	N342 I343 D360 I361 V362 F369	N342-K364 PolarHBondContact OD1-N 3.44Å; N342-K364 PolarHBondContact OD1-O 3.49Å; I343-K364 WeakPolarHBondContact CB-O 3.5Å; I343-K364 WeakPolarHBondContact CG1-O 3.27Å; I343-K364 PolarHBondContact N-O 2.99Å; D360-K364 WeakPolarHBondContact O-CD 3.4Å; D360-K364 WeakPolarHBondContact O-CE 3.15Å; D360-K364 PolarHBondContact O-NZ 3.26Å; I361-K364 PolarHBondContact O-N 2.95Å; V362-K364 VanDerWaalsContact C-N 3.27Å; V362-K364 PolarHBondContact O-N 2.94Å; K364-F369 HydrophobicContact CB-CE2 3.82Å; K364-F369 HydrophobicContact CB-CZ 4.12Å; K364-F369 HydrophobicContact CD-CE2 4.26Å; K364-F369 HydrophobicContact CD-CZ 3.67Å
365	R	97.4	Very high	96.5	Very high	108 Å²	108	51.6 Å²	51.6	41%	0.408	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-80.6	144.9	173.2	-73.7	173.8	-68.5	-108.4	-3.1	111.3	D340 L341 N342 Y367 H368	D340-R365 WeakPolarHBondContact OD2-CD 3.22Å; L341-R365 CarbonylContact O-C 3.54Å; L341-R365 VanDerWaalsContact O-CA 3.31Å; L341-R365 WeakPolarHBondContact O-CA 3.22Å; N342-R365 HydrophobicContact CB-CG 3.87Å; R365-Y367 PolarHBondContact O-N 3.24Å; R365-H368 WeakPolarHBondContact O-CB 3.42Å; R365-H368 PolarHBondContact O-N 2.84Å
366	C	97.5	Very high	96.7	Very high	1 Å²	1	54 Å²	54	1%	0.007	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-51.2	-33.7	175.5	-64.3	0	0	0	0	112.9	L341 H368 F369 I370	L341-C366 HydrophobicContact CB-CB 4.08Å; L341-C366 PolarHBondContact O-N 3.43Å; L341-C366 PolarHBondContact O-SG 2.95Å; C366-H368 PolarHBondContact O-N 3.41Å; C366-H368 VanDerWaalsContact O-N 3.15Å; C366-F369 PolarHBondContact O-N 3.26Å; C366-I370 HydrophobicContact CB-CD1 4.2Å; C366-I370 WeakPolarHBondContact O-CD1 3.31Å; C366-I370 WeakPolarHBondContact O-CG1 3.38Å; C366-I370 PolarHBondContact O-N 2.86Å
367	Y	98	Very high	96.8	Very high	74 Å²	74	54.2 Å²	54.2	29%	0.29	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-58.4	-21.8	175.6	-65.4	-63.2	0	0	0	114.9	L341 R365 F369 I370 I378 H382	L341-Y367 HydrophobicContact CD1-CE2 4.19Å; R365-Y367 PolarHBondContact O-N 3.24Å; Y367-F369 PolarHBondContact O-N 2.96Å; Y367-I370 HydrophobicContact CD1-CD1 4.18Å; Y367-I378 HydrophobicContact CE1-CG2 4.42Å; Y367-H382 AromaticContact CZ-ND1 3.99Å; Y367-H382 PolarHBondContact OH-ND1 2.97Å; Y367-H382 VanDerWaalsContact OH-ND1 3.14Å
368	H	96.4	Very high	97	Very high	87 Å²	87	51.8 Å²	51.8	40%	0.403	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-75.8	-10.3	174.8	-58.9	-172.4	0	0	0	112.4	R365 C366	R365-H368 WeakPolarHBondContact O-CB 3.42Å; R365-H368 PolarHBondContact O-N 2.84Å; C366-H368 PolarHBondContact O-N 3.41Å; C366-H368 VanDerWaalsContact O-N 3.15Å
369	F	97.1	Very high	97.1	Very high	16 Å²	16	57 Å²	57	7%	0.07	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-6.8	-177.7	-56.3	-75.7	0	0	0	114	I343 L356 I361 K364 C366 Y367 W398 M399	I343-F369 HydrophobicContact CD1-CD2 4.34Å; I343-F369 HydrophobicContact CD1-CE2 4.11Å; L356-F369 HydrophobicContact CD1-CD1 4.06Å; L356-F369 HydrophobicContact CD1-CE1 4.07Å; L356-F369 HydrophobicContact CD2-CE1 4.39Å; I361-F369 HydrophobicContact CB-CE2 4.02Å; I361-F369 HydrophobicContact CB-CZ 3.87Å; I361-F369 HydrophobicContact CG2-CE1 3.93Å; I361-F369 HydrophobicContact CG2-CE2 4.06Å; I361-F369 HydrophobicContact CG2-CZ 3.55Å; K364-F369 HydrophobicContact CB-CE2 3.82Å; K364-F369 HydrophobicContact CB-CZ 4.12Å; K364-F369 HydrophobicContact CD-CE2 4.26Å; K364-F369 HydrophobicContact CD-CZ 3.67Å; C366-F369 PolarHBondContact O-N 3.26Å; Y367-F369 PolarHBondContact O-N 2.96Å; F369-W398 HydrophobicContact CB-CD2 4.34Å; F369-W398 HydrophobicContact CB-CG 4.29Å; F369-W398 HydrophobicContact CB-CZ2 4.26Å; F369-W398 AromaticContact CD1-NE1 3.96Å; F369-W398 HydrophobicContact CD2-CZ2 4.16Å; F369-W398 HydrophobicContact CG-CZ2 4.34Å; F369-W398 AromaticContact CG-NE1 3.58Å; F369-W398 CarbonylContact O-C 3.59Å; F369-W398 WeakPolarHBondContact O-CA 3.3Å; F369-M399 WeakPolarHBondContact O-CG 3.4Å; F369-M399 PolarHBondContact O-N 3.35Å
370	I	97.9	Very high	97.1	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-85	127.8	178.5	-66.9	156	0	0	0	108.4	C366 Y367 A372 D374 V375 I378 Y396	C366-I370 HydrophobicContact CB-CD1 4.2Å; C366-I370 WeakPolarHBondContact O-CD1 3.31Å; C366-I370 WeakPolarHBondContact O-CG1 3.38Å; C366-I370 PolarHBondContact O-N 2.86Å; Y367-I370 HydrophobicContact CD1-CD1 4.18Å; I370-A372 PolarHBondContact O-N 3.2Å; I370-D374 HydrophobicContact CG2-CB 3.87Å; I370-V375 HydrophobicContact CB-CG1 4.31Å; I370-V375 HydrophobicContact CG2-CG1 3.9Å; I370-I378 HydrophobicContact CD1-CB 3.98Å; I370-I378 HydrophobicContact CD1-CG1 3.95Å; I370-I378 HydrophobicContact CD1-CG2 3.65Å; I370-I378 HydrophobicContact CG1-CG1 4.43Å; I370-I378 HydrophobicContact CG2-CG1 4.06Å; I370-Y396 HydrophobicContact CG1-CD2 4.02Å; I370-Y396 HydrophobicContact CG1-CE2 3.97Å; I370-Y396 HydrophobicContact CG2-CD2 4.42Å
371	H	97.8	Very high	97.3	Very high	35 Å²	35	54.3 Å²	54.3	16%	0.162	28%	0.28	C	S	.	.			trans	-54.4	137.8	176.5	178.5	-96.7	0	0	0	111.7	E373 D374 R397 M399	H371-E373 IonicContact CE1-OE2 3.8Å; H371-E373 PolarHBondContact ND1-N 3.21Å; H371-E373 PolarHBondContact O-N 3.5Å; H371-D374 PolarHBondContact O-N 3.44Å; H371-R397 HydrophobicContact CB-CB 3.61Å; H371-R397 PolarHBondContact CE1-NH1 3.02Å; H371-R397 VanDerWaalsContact CE1-NH1 3.28Å; H371-R397 PolarHBondContact N-O 3.05Å; H371-R397 VanDerWaalsContact ND1-CZ 3.26Å; H371-R397 PolarHBondContact ND1-NH1 2.99Å; H371-M399 HydrophobicContact CB-CG 4.43Å
372	A	97.3	Very high	97.4	Very high	81 Å²	81	55 Å²	55	67%	0.669	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.6	-167.6	0	0	0	0	0	115.5	I370 V375	I370-A372 PolarHBondContact O-N 3.2Å; A372-V375 WeakPolarHBondContact O-CG2 3.4Å
373	E	97.7	Very high	97.4	Very high	99 Å²	99	56 Å²	56	46%	0.463	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.3	175.4	-171	-173.6	-180	0	0	112.9	H371 R397 Q821	H371-E373 IonicContact CE1-OE2 3.8Å; H371-E373 PolarHBondContact ND1-N 3.21Å; H371-E373 PolarHBondContact O-N 3.5Å; E373-R397 VanDerWaalsContact CD-NH2 3.29Å; E373-R397 IonicContact OE2-CZ 3.21Å; E373-R397 IonicContact OE2-NH1 3.16Å; E373-R397 PolarHBondContact OE2-NH1 3.1Å; E373-R397 IonicContact OE2-NH2 2.73Å; E373-R397 PolarHBondContact OE2-NH2 2.82Å; E373-Q821 PolarHBondContact OE1-NE2 3.2Å
374	D	98.1	Very high	97.3	Very high	21 Å²	21	54.3 Å²	54.3	11%	0.112	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-12.7	-174.1	-62.2	-31.2	0	0	0	113.4	I370 H371 E376 G377 I378 Y396 R397	I370-D374 HydrophobicContact CG2-CB 3.87Å; H371-D374 PolarHBondContact O-N 3.44Å; D374-E376 VanDerWaalsContact C-N 3.26Å; D374-E376 PolarHBondContact O-N 3.49Å; D374-G377 WeakPolarHBondContact O-CA 3.33Å; D374-G377 PolarHBondContact O-N 3.16Å; D374-I378 PolarHBondContact O-N 3.07Å; D374-Y396 WeakPolarHBondContact OD2-CA 3.49Å; D374-R397 VanDerWaalsContact CG-NH2 3.33Å; D374-R397 IonicContact OD1-CZ 3.6Å; D374-R397 IonicContact OD1-NE 2.76Å; D374-R397 IonicContact OD1-NH2 2.72Å; D374-R397 PolarHBondContact OD1-NH2 3.33Å; D374-R397 WeakPolarHBondContact OD2-CB 3.28Å; D374-R397 IonicContact OD2-CZ 3.51Å; D374-R397 PolarHBondContact OD2-N 2.82Å; D374-R397 IonicContact OD2-NE 2.79Å; D374-R397 PolarHBondContact OD2-NE 2.92Å; D374-R397 IonicContact OD2-NH2 3.38Å; D374-R397 PolarHBondContact OD2-NH2 3.25Å
375	V	97.7	Very high	97.2	Very high	53 Å²	53	49.9 Å²	49.9	32%	0.321	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-34.7	-172.2	-57.1	0	0	0	0	113	I370 A372 I378 R379	I370-V375 HydrophobicContact CB-CG1 4.31Å; I370-V375 HydrophobicContact CG2-CG1 3.9Å; A372-V375 WeakPolarHBondContact O-CG2 3.4Å; V375-I378 PolarHBondContact O-N 3.45Å; V375-R379 VanDerWaalsContact O-CB 3.28Å; V375-R379 WeakPolarHBondContact O-CB 3.41Å; V375-R379 PolarHBondContact O-N 3.15Å
376	E	96.8	Very high	97.1	Very high	97 Å²	97	48.1 Å²	48.1	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-37.9	176	-174.6	55.6	-140.6	0	0	111.6	D374 R379 H380	D374-E376 VanDerWaalsContact C-N 3.26Å; D374-E376 PolarHBondContact O-N 3.49Å; E376-R379 PolarHBondContact O-N 3.08Å; E376-R379 IonicContact OE1-CZ 3.33Å; E376-R379 IonicContact OE1-NE 3.11Å; E376-R379 PolarHBondContact OE1-NE 3.19Å; E376-R379 VanDerWaalsContact OE1-NE 3.11Å; E376-R379 IonicContact OE1-NH2 2.74Å; E376-R379 PolarHBondContact OE1-NH2 2.88Å; E376-R379 IonicContact OE2-CZ 3.03Å; E376-R379 IonicContact OE2-NE 2.93Å; E376-R379 PolarHBondContact OE2-NE 2.91Å; E376-R379 IonicContact OE2-NH1 3.98Å; E376-R379 IonicContact OE2-NH2 2.88Å; E376-R379 PolarHBondContact OE2-NH2 3.26Å; E376-H380 PolarHBondContact O-N 3.28Å
377	G	96.3	Very high	96.9	Very high	13 Å²	13	53.1 Å²	53.1	13%	0.134	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-43.7	174.3	0	0	0	0	0	111.9	D374 S381	D374-G377 WeakPolarHBondContact O-CA 3.33Å; D374-G377 PolarHBondContact O-N 3.16Å; G377-S381 PolarHBondContact O-N 2.76Å; G377-S381 VanDerWaalsContact O-N 3.12Å; G377-S381 PolarHBondContact O-OG 3Å
378	I	98.2	Very high	96.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-73.4	-36.4	176.8	-57.6	-58.3	0	0	0	112.1	L341 Y367 I370 D374 V375 H380 S381 H382 T393 Y396 W428	L341-I378 HydrophobicContact CD1-CG2 4.47Å; Y367-I378 HydrophobicContact CE1-CG2 4.42Å; I370-I378 HydrophobicContact CD1-CB 3.98Å; I370-I378 HydrophobicContact CD1-CG1 3.95Å; I370-I378 HydrophobicContact CD1-CG2 3.65Å; I370-I378 HydrophobicContact CG1-CG1 4.43Å; I370-I378 HydrophobicContact CG2-CG1 4.06Å; D374-I378 PolarHBondContact O-N 3.07Å; V375-I378 PolarHBondContact O-N 3.45Å; I378-H380 VanDerWaalsContact C-N 3.29Å; I378-H380 PolarHBondContact O-N 3.26Å; I378-S381 PolarHBondContact O-N 2.68Å; I378-H382 VanDerWaalsContact O-CB 3.31Å; I378-H382 WeakPolarHBondContact O-CB 3.35Å; I378-H382 PolarHBondContact O-N 3.45Å; I378-T393 HydrophobicContact CD1-CG2 3.72Å; I378-Y396 HydrophobicContact CD1-CD1 3.64Å; I378-Y396 HydrophobicContact CD1-CD2 4.34Å; I378-Y396 HydrophobicContact CD1-CE1 4.11Å; I378-Y396 HydrophobicContact CD1-CG 3.74Å; I378-Y396 HydrophobicContact CG1-CD2 4.44Å; I378-Y396 HydrophobicContact CG1-CG 4.19Å; I378-W428 HydrophobicContact CG2-CH2 4.28Å
379	R	98.2	Very high	96.5	Very high	130 Å²	130	47.5 Å²	47.5	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-56.9	-43.9	172.5	-172.4	178	77.3	152.9	3	111.1	V375 E376 H382 L383	V375-R379 VanDerWaalsContact O-CB 3.28Å; V375-R379 WeakPolarHBondContact O-CB 3.41Å; V375-R379 PolarHBondContact O-N 3.15Å; E376-R379 PolarHBondContact O-N 3.08Å; E376-R379 IonicContact OE1-CZ 3.33Å; E376-R379 IonicContact OE1-NE 3.11Å; E376-R379 PolarHBondContact OE1-NE 3.19Å; E376-R379 VanDerWaalsContact OE1-NE 3.11Å; E376-R379 IonicContact OE1-NH2 2.74Å; E376-R379 PolarHBondContact OE1-NH2 2.88Å; E376-R379 IonicContact OE2-CZ 3.03Å; E376-R379 IonicContact OE2-NE 2.93Å; E376-R379 PolarHBondContact OE2-NE 2.91Å; E376-R379 IonicContact OE2-NH1 3.98Å; E376-R379 IonicContact OE2-NH2 2.88Å; E376-R379 PolarHBondContact OE2-NH2 3.26Å; R379-H382 PolarHBondContact O-N 3.32Å; R379-L383 WeakPolarHBondContact O-CG 3.42Å; R379-L383 PolarHBondContact O-N 2.72Å
380	H	96.7	Very high	96.3	Very high	104 Å²	104	47.9 Å²	47.9	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-48.5	175.9	-169.5	79	0	0	0	112.3	E376 I378 H382 L383 D384	E376-H380 PolarHBondContact O-N 3.28Å; I378-H380 VanDerWaalsContact C-N 3.29Å; I378-H380 PolarHBondContact O-N 3.26Å; H380-H382 PolarHBondContact O-N 3.02Å; H380-L383 PolarHBondContact O-N 3.03Å; H380-L383 VanDerWaalsContact O-N 3.13Å; H380-D384 PolarHBondContact O-N 3.27Å
381	S	97.3	Very high	96.2	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-33.8	174.7	-67.3	0	0	0	0	113	G377 I378 D384 L385 C391	G377-S381 PolarHBondContact O-N 2.76Å; G377-S381 VanDerWaalsContact O-N 3.12Å; G377-S381 PolarHBondContact O-OG 3Å; I378-S381 PolarHBondContact O-N 2.68Å; S381-D384 PolarHBondContact O-N 3.37Å; S381-L385 WeakPolarHBondContact O-CB 3.34Å; S381-L385 PolarHBondContact O-N 2.96Å; S381-C391 PolarHBondContact O-SG 3.3Å; S381-C391 VanDerWaalsContact O-SG 3.36Å
382	H	97.9	Very high	96	Very high	14 Å²	14	46.9 Å²	46.9	7%	0.065	25%	0.25	C	S	.	.	H	α-helix	trans	-69.6	-39.9	175.5	-173.7	-165.2	0	0	0	111.9	M339 L341 Y367 I378 R379 H380 D384 L385 L386	M339-H382 PolarHBondContact O-NE2 3.47Å; L341-H382 HydrophobicContact CD1-CB 4.26Å; Y367-H382 AromaticContact CZ-ND1 3.99Å; Y367-H382 PolarHBondContact OH-ND1 2.97Å; Y367-H382 VanDerWaalsContact OH-ND1 3.14Å; I378-H382 VanDerWaalsContact O-CB 3.31Å; I378-H382 WeakPolarHBondContact O-CB 3.35Å; I378-H382 PolarHBondContact O-N 3.45Å; R379-H382 PolarHBondContact O-N 3.32Å; H380-H382 PolarHBondContact O-N 3.02Å; H382-D384 VanDerWaalsContact C-N 3.35Å; H382-D384 PolarHBondContact O-N 2.8Å; H382-L385 WeakPolarHBondContact O-CB 3.31Å; H382-L385 PolarHBondContact O-N 3.4Å; H382-L386 VanDerWaalsContact O-CG 3.3Å; H382-L386 WeakPolarHBondContact O-CG 3.3Å; H382-L386 PolarHBondContact O-N 3.4Å
383	L	97.2	Very high	96	Very high	88 Å²	88	43.2 Å²	43.2	46%	0.461	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-41.5	171.9	-69.5	170.2	0	0	0	111.9	R379 H380 L386 N387	R379-L383 WeakPolarHBondContact O-CG 3.42Å; R379-L383 PolarHBondContact O-N 2.72Å; H380-L383 PolarHBondContact O-N 3.03Å; H380-L383 VanDerWaalsContact O-N 3.13Å; L383-L386 PolarHBondContact O-N 3.35Å; L383-N387 WeakPolarHBondContact O-CB 3.45Å; L383-N387 VanDerWaalsContact O-CG 3.29Å; L383-N387 PolarHBondContact O-N 2.72Å; L383-N387 PolarHBondContact O-ND2 3.14Å
384	D	95.3	Very high	95.9	Very high	16 Å²	16	44.8 Å²	44.8	9%	0.086	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-46.7	172.3	-93.8	-37.5	0	0	0	112	F264 H380 S381 H382 L386 N387 K388 C391	F264-D384 HydrophobicContact CD2-CB 4.24Å; F264-D384 WeakPolarHBondContact CD2-OD2 3.31Å; H380-D384 PolarHBondContact O-N 3.27Å; S381-D384 PolarHBondContact O-N 3.37Å; H382-D384 VanDerWaalsContact C-N 3.35Å; H382-D384 PolarHBondContact O-N 2.8Å; D384-L386 VanDerWaalsContact C-N 3.34Å; D384-L386 PolarHBondContact O-N 2.65Å; D384-N387 PolarHBondContact O-N 3.48Å; D384-K388 WeakPolarHBondContact O-CB 3.28Å; D384-K388 PolarHBondContact O-N 2.99Å; D384-K388 WeakPolarHBondContact OD1-CD 3.28Å; D384-K388 VanDerWaalsContact OD1-CE 3.29Å; D384-K388 WeakPolarHBondContact OD1-CE 3.39Å; D384-K388 IonicContact OD1-NZ 3.65Å; D384-K388 PolarHBondContact OD1-NZ 3.32Å; D384-C391 HydrophobicContact CB-CB 4.29Å
385	L	95	Very high	95.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-45.3	178.2	-179.3	60	0	0	0	112.1	S381 H382 G389 C391 A412 I414 I426 W428	S381-L385 WeakPolarHBondContact O-CB 3.34Å; S381-L385 PolarHBondContact O-N 2.96Å; H382-L385 WeakPolarHBondContact O-CB 3.31Å; H382-L385 PolarHBondContact O-N 3.4Å; L385-G389 CarbonylContact O-C 3.46Å; L385-G389 WeakPolarHBondContact O-CA 3.44Å; L385-G389 PolarHBondContact O-N 2.85Å; L385-C391 HydrophobicContact CB-CB 4.11Å; L385-A412 HydrophobicContact CD1-CB 4.03Å; L385-A412 HydrophobicContact CD2-CB 3.71Å; L385-I414 HydrophobicContact CD1-CG1 4.17Å; L385-I414 HydrophobicContact CG-CG1 4.32Å; L385-I414 WeakPolarHBondContact O-CD1 3.24Å; L385-I426 HydrophobicContact CD2-CD1 3.67Å; L385-I426 HydrophobicContact CD2-CG1 4.02Å; L385-I426 HydrophobicContact CD2-CG2 3.8Å; L385-I426 HydrophobicContact CG-CD1 4.38Å; L385-W428 HydrophobicContact CD2-CE3 4.4Å; L385-W428 HydrophobicContact CD2-CZ3 4.11Å
386	L	94.4	Very high	95.9	Very high	71 Å²	71	43.2 Å²	43.2	37%	0.372	21%	0.212	S	C	.	.	H	α-helix	trans	-66.5	-41.6	177.9	-66.6	173.1	0	0	0	112.2	M339 H382 L383 D384	M339-L386 HydrophobicContact CE-CD2 3.42Å; M339-L386 VanDerWaalsContact CE-CD2 3.42Å; H382-L386 VanDerWaalsContact O-CG 3.3Å; H382-L386 WeakPolarHBondContact O-CG 3.3Å; H382-L386 PolarHBondContact O-N 3.4Å; L383-L386 PolarHBondContact O-N 3.35Å; D384-L386 VanDerWaalsContact C-N 3.34Å; D384-L386 PolarHBondContact O-N 2.65Å
387	N	94.3	Very high	95.9	Very high	106 Å²	106	39.8 Å²	39.8	57%	0.567	20%	0.195	S	C	*	.	H	α-helix	trans	-79.5	-32.7	-175.5	-74.1	-39.1	0	0	0	114.2	R266 L383 D384	R266-N387 PolarHBondContact NH1-O 3.27Å; L383-N387 WeakPolarHBondContact O-CB 3.45Å; L383-N387 VanDerWaalsContact O-CG 3.29Å; L383-N387 PolarHBondContact O-N 2.72Å; L383-N387 PolarHBondContact O-ND2 3.14Å; D384-N387 PolarHBondContact O-N 3.48Å
388	K	93.1	Very high	96	Very high	21 Å²	21	39.1 Å²	39.1	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-115.4	-18.9	-169.9	-62	166.1	-175.3	169.4	0	113	E205 F264 V285 D384	E205-K388 IonicContact OE1-NZ 2.65Å; E205-K388 PolarHBondContact OE1-NZ 2.75Å; E205-K388 WeakPolarHBondContact OE2-CE 3.33Å; E205-K388 IonicContact OE2-NZ 2.68Å; E205-K388 PolarHBondContact OE2-NZ 3.07Å; F264-K388 HydrophobicContact CB-CD 3.84Å; F264-K388 WeakPolarHBondContact O-CD 3.25Å; F264-K388 WeakPolarHBondContact O-CE 3.08Å; F264-K388 PolarHBondContact O-NZ 3.25Å; V285-K388 HydrophobicContact CG2-CB 4.42Å; V285-K388 WeakPolarHBondContact CG2-O 3.5Å; D384-K388 WeakPolarHBondContact O-CB 3.28Å; D384-K388 PolarHBondContact O-N 2.99Å; D384-K388 WeakPolarHBondContact OD1-CD 3.28Å; D384-K388 VanDerWaalsContact OD1-CE 3.29Å; D384-K388 WeakPolarHBondContact OD1-CE 3.39Å; D384-K388 IonicContact OD1-NZ 3.65Å; D384-K388 PolarHBondContact OD1-NZ 3.32Å
389	G	91.8	Very high	95.9	Very high	22 Å²	22	39.8 Å²	39.8	23%	0.227	19%	0.191	C	C	.	.	S	Bend	trans	97	-16.7	174.4	0	0	0	0	0	115.1	L385 I414	L385-G389 CarbonylContact O-C 3.46Å; L385-G389 WeakPolarHBondContact O-CA 3.44Å; L385-G389 PolarHBondContact O-N 2.85Å; G389-I414 PolarHBondContact O-N 2.87Å
390	Q	93.3	Very high	95.8	Very high	24 Å²	24	34 Å²	34	11%	0.112	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	147.5	179.2	-50.5	-169.1	-100.8	0	0	109.5	V285 L318 P319 A412 T413	V285-Q390 HydrophobicContact CB-CB 4.04Å; V285-Q390 HydrophobicContact CB-CG 4.34Å; V285-Q390 HydrophobicContact CG1-CB 4.25Å; V285-Q390 HydrophobicContact CG2-CB 3.96Å; V285-Q390 HydrophobicContact CG2-CG 4Å; L318-Q390 HydrophobicContact CB-CB 4.4Å; L318-Q390 HydrophobicContact CD1-CB 3.65Å; P319-Q390 PolarHBondContact O-NE2 2.95Å; Q390-A412 WeakPolarHBondContact CA-O 3.37Å; Q390-T413 HydrophobicContact CG-CG2 3.9Å; Q390-T413 WeakPolarHBondContact CG-OG1 3.32Å; Q390-T413 PolarHBondContact NE2-OG1 3.19Å
391	C	94.9	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	168.6	170.7	79.5	0	0	0	0	111.5	F264 S381 D384 L385 A412	F264-C391 HydrophobicContact CE2-CB 4.45Å; F264-C391 HydrophobicContact CZ-CB 4.47Å; S381-C391 PolarHBondContact O-SG 3.3Å; S381-C391 VanDerWaalsContact O-SG 3.36Å; D384-C391 HydrophobicContact CB-CB 4.29Å; L385-C391 HydrophobicContact CB-CB 4.11Å; C391-A412 PolarHBondContact N-O 2.92Å; C391-A412 PolarHBondContact O-N 3.01Å
392	V	95.1	Very high	95.4	Very high	19 Å²	19	38.2 Å²	38.2	12%	0.115	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.3	162.9	179.1	0	0	0	0	107.6	F264 L318 Q409 S410	F264-V392 HydrophobicContact CE1-CB 4.18Å; F264-V392 HydrophobicContact CE1-CG2 4.4Å; F264-V392 HydrophobicContact CZ-CB 4Å; F264-V392 VanDerWaalsContact CZ-O 3.28Å; F264-V392 WeakPolarHBondContact CZ-O 3.2Å; L318-V392 HydrophobicContact CD1-CG2 4.34Å; L318-V392 HydrophobicContact CD2-CG2 3.51Å; V392-Q409 HydrophobicContact CG1-CG 3.99Å; V392-Q409 VanDerWaalsContact CG1-NE2 3.35Å; V392-S410 WeakPolarHBondContact CA-O 3.23Å
393	T	96.9	Very high	95.2	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.025	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-74	161.3	-179.9	68.5	0	0	0	0	111.7	I378 Y396 Q409 S410 W428	I378-T393 HydrophobicContact CD1-CG2 3.72Å; T393-Y396 HydrophobicContact CG2-CE1 4.23Å; T393-Q409 WeakPolarHBondContact O-CG 3.35Å; T393-Q409 PolarHBondContact O-NE2 3.24Å; T393-S410 PolarHBondContact N-O 3.3Å; T393-S410 PolarHBondContact OG1-N 3.31Å; T393-W428 HydrophobicContact CG2-CH2 3.8Å; T393-W428 HydrophobicContact CG2-CZ2 3.71Å
394	K	94.9	Very high	95.1	Very high	131 Å²	131	33.4 Å²	33.4	57%	0.57	17%	0.166	S	C	*	.	P	Polyproline II helix	trans	-61.7	168.1	152.2	-60.7	176.7	-174.6	174.5	0	109.2	Y396	K394-Y396 PolarHBondContact O-N 3.35Å
395	Y	97.1	Very high	95.2	Very high	40 Å²	40	33.4 Å²	33.4	16%	0.157	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-66.1	132.9	165.6	-55.8	-35.5	0	0	0	109.5	I408 Q409 L433 Y824 T826	Y395-I408 WeakPolarHBondContact CA-O 3.32Å; Y395-Q409 HydrophobicContact CD1-CB 3.72Å; Y395-Q409 HydrophobicContact CD1-CG 3.93Å; Y395-Q409 HydrophobicContact CE1-CB 3.78Å; Y395-Q409 VanDerWaalsContact CE1-CD 3.45Å; Y395-Q409 HydrophobicContact CE1-CG 3.9Å; Y395-L433 HydrophobicContact CD1-CD1 3.28Å; Y395-L433 HydrophobicContact CE1-CD1 3.72Å; Y395-L433 HydrophobicContact CG-CD1 3.76Å; Y395-Y824 WeakPolarHBondContact CE2-O 3.5Å; Y395-T826 WeakPolarHBondContact OH-CA 3.48Å; Y395-T826 PolarHBondContact OH-N 3.4Å; Y395-T826 PolarHBondContact OH-O 3.1Å; Y395-T826 PolarHBondContact OH-OG1 3.28Å
396	Y	98.5	Very high	95.3	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.8	-178	73.3	-84.2	0	0	0	110.8	I370 D374 I378 T393 K394 W398 I408 S410 W428	I370-Y396 HydrophobicContact CG1-CD2 4.02Å; I370-Y396 HydrophobicContact CG1-CE2 3.97Å; I370-Y396 HydrophobicContact CG2-CD2 4.42Å; D374-Y396 WeakPolarHBondContact OD2-CA 3.49Å; I378-Y396 HydrophobicContact CD1-CD1 3.64Å; I378-Y396 HydrophobicContact CD1-CD2 4.34Å; I378-Y396 HydrophobicContact CD1-CE1 4.11Å; I378-Y396 HydrophobicContact CD1-CG 3.74Å; I378-Y396 HydrophobicContact CG1-CD2 4.44Å; I378-Y396 HydrophobicContact CG1-CG 4.19Å; T393-Y396 HydrophobicContact CG2-CE1 4.23Å; K394-Y396 PolarHBondContact O-N 3.35Å; Y396-W398 HydrophobicContact CE2-CB 4.33Å; Y396-W398 AromaticContact CE2-CE3 3.8Å; Y396-W398 HydrophobicContact CE2-CE3 3.8Å; Y396-W398 AromaticContact CZ-CE3 3.98Å; Y396-W398 WeakPolarHBondContact OH-CZ3 3.25Å; Y396-I408 HydrophobicContact CD1-CB 4.44Å; Y396-I408 HydrophobicContact CD1-CG2 4.44Å; Y396-I408 WeakPolarHBondContact CD1-O 3.41Å; Y396-I408 HydrophobicContact CE1-CB 4.03Å; Y396-I408 HydrophobicContact CE1-CG2 3.64Å; Y396-I408 HydrophobicContact CE2-CB 4.48Å; Y396-I408 PolarHBondContact N-O 3.03Å; Y396-I408 PolarHBondContact O-N 3.27Å; Y396-S410 PolarHBondContact OH-OG 3.3Å; Y396-W428 PolarHBondContact OH-NE1 3.49Å
397	R	98.3	Very high	95.5	Very high	25 Å²	25	33.2 Å²	33.2	9%	0.094	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.7	-179.6	-67.7	161.1	-78.8	-169.3	-12	109.7	H371 E373 D374 Y405 I406 W407	H371-R397 HydrophobicContact CB-CB 3.61Å; H371-R397 PolarHBondContact CE1-NH1 3.02Å; H371-R397 VanDerWaalsContact CE1-NH1 3.28Å; H371-R397 PolarHBondContact N-O 3.05Å; H371-R397 VanDerWaalsContact ND1-CZ 3.26Å; H371-R397 PolarHBondContact ND1-NH1 2.99Å; E373-R397 VanDerWaalsContact CD-NH2 3.29Å; E373-R397 IonicContact OE2-CZ 3.21Å; E373-R397 IonicContact OE2-NH1 3.16Å; E373-R397 PolarHBondContact OE2-NH1 3.1Å; E373-R397 IonicContact OE2-NH2 2.73Å; E373-R397 PolarHBondContact OE2-NH2 2.82Å; D374-R397 VanDerWaalsContact CG-NH2 3.33Å; D374-R397 IonicContact OD1-CZ 3.6Å; D374-R397 IonicContact OD1-NE 2.76Å; D374-R397 IonicContact OD1-NH2 2.72Å; D374-R397 PolarHBondContact OD1-NH2 3.33Å; D374-R397 WeakPolarHBondContact OD2-CB 3.28Å; D374-R397 IonicContact OD2-CZ 3.51Å; D374-R397 PolarHBondContact OD2-N 2.82Å; D374-R397 IonicContact OD2-NE 2.79Å; D374-R397 PolarHBondContact OD2-NE 2.92Å; D374-R397 IonicContact OD2-NH2 3.38Å; D374-R397 PolarHBondContact OD2-NH2 3.25Å; R397-Y405 HydrophobicContact CB-CD1 4.13Å; R397-Y405 HydrophobicContact CB-CD2 3.74Å; R397-Y405 HydrophobicContact CB-CE2 4.38Å; R397-Y405 HydrophobicContact CB-CG 3.63Å; R397-Y405 HydrophobicContact CG-CD1 4.13Å; R397-Y405 HydrophobicContact CG-CD2 3.45Å; R397-Y405 VanDerWaalsContact CG-CD2 3.45Å; R397-Y405 HydrophobicContact CG-CE1 4.24Å; R397-Y405 HydrophobicContact CG-CE2 3.61Å; R397-Y405 HydrophobicContact CG-CG 3.77Å; R397-I406 CarbonylContact C-O 3.5Å; R397-I406 WeakPolarHBondContact CA-O 3.32Å; R397-W407 HydrophobicContact CG-CD2 3.82Å; R397-W407 HydrophobicContact CG-CE3 3.72Å; R397-W407 HydrophobicContact CG-CH2 3.67Å; R397-W407 HydrophobicContact CG-CZ2 3.75Å; R397-W407 HydrophobicContact CG-CZ3 3.65Å
398	W	97.6	Very high	95.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.9	172.7	-166.4	-49.6	0	0	0	108.7	I343 M354 F369 Y396 Y405 I406 I408	I343-W398 HydrophobicContact CD1-CH2 4.3Å; I343-W398 HydrophobicContact CD1-CZ2 4.23Å; M354-W398 HydrophobicContact CE-CB 4.41Å; M354-W398 HydrophobicContact CE-CD2 4.27Å; M354-W398 HydrophobicContact CE-CG 3.77Å; F369-W398 HydrophobicContact CB-CD2 4.34Å; F369-W398 HydrophobicContact CB-CG 4.29Å; F369-W398 HydrophobicContact CB-CZ2 4.26Å; F369-W398 AromaticContact CD1-NE1 3.96Å; F369-W398 HydrophobicContact CD2-CZ2 4.16Å; F369-W398 HydrophobicContact CG-CZ2 4.34Å; F369-W398 AromaticContact CG-NE1 3.58Å; F369-W398 CarbonylContact O-C 3.59Å; F369-W398 WeakPolarHBondContact O-CA 3.3Å; Y396-W398 HydrophobicContact CE2-CB 4.33Å; Y396-W398 AromaticContact CE2-CE3 3.8Å; Y396-W398 HydrophobicContact CE2-CE3 3.8Å; Y396-W398 AromaticContact CZ-CE3 3.98Å; Y396-W398 WeakPolarHBondContact OH-CZ3 3.25Å; W398-Y405 CarbonylContact O-C 3.56Å; W398-Y405 VanDerWaalsContact O-CA 3.27Å; W398-Y405 WeakPolarHBondContact O-CA 3.04Å; W398-Y405 WeakPolarHBondContact O-CB 3.12Å; W398-I406 HydrophobicContact CB-CG1 4.15Å; W398-I406 PolarHBondContact N-O 2.97Å; W398-I406 PolarHBondContact O-N 3.26Å; W398-I408 HydrophobicContact CB-CD1 3.8Å; W398-I408 HydrophobicContact CB-CG1 4.44Å; W398-I408 HydrophobicContact CD2-CD1 4.14Å; W398-I408 HydrophobicContact CE3-CD1 3.75Å; W398-I408 HydrophobicContact CG-CD1 4.19Å
399	M	97	Very high	95.8	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.069	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136.8	-175.1	-61.1	-173.1	-63.7	0	0	111.5	F369 H371 G404 M443 D444	F369-M399 WeakPolarHBondContact O-CG 3.4Å; F369-M399 PolarHBondContact O-N 3.35Å; H371-M399 HydrophobicContact CB-CG 4.43Å; M399-G404 WeakPolarHBondContact CA-O 3.44Å; M399-M443 HydrophobicContact SD-CB 4.45Å; M399-D444 HydrophobicContact CE-CB 3.76Å; M399-D444 HydrophobicContact SD-CB 3.89Å
400	Q	95.4	Very high	95.9	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.042	12%	0.122	C	C	.	.			trans	-77.5	177.6	174.7	-63.3	-60.4	-90.5	0	0	111.2	D355 G403 G404 P436 Q447	D355-Q400 WeakPolarHBondContact OD1-CA 3.25Å; D355-Q400 VanDerWaalsContact OD1-CB 3.31Å; D355-Q400 WeakPolarHBondContact OD1-CB 3.38Å; D355-Q400 PolarHBondContact OD1-OE1 3.49Å; Q400-G403 WeakPolarHBondContact CB-O 3.37Å; Q400-G404 PolarHBondContact N-O 3.42Å; Q400-G404 VanDerWaalsContact N-O 3.11Å; Q400-P436 HydrophobicContact CG-CB 4.35Å; Q400-Q447 VanDerWaalsContact O-CG 3.3Å; Q400-Q447 WeakPolarHBondContact O-CG 3.23Å; Q400-Q447 PolarHBondContact O-NE2 2.92Å
401	K	93.9	Very high	95.9	Very high	104 Å²	104	26.7 Å²	26.7	45%	0.452	12%	0.121	S	C	.	.	S	Bend	trans	-80.8	-30.3	174.1	-169.6	176.2	175.6	170.8	0	112.8	D355 L356 D360 Q447	D355-K401 HydrophobicContact CB-CB 4.49Å; D355-K401 VanDerWaalsContact CG-CB 3.5Å; D355-K401 PolarHBondContact OD1-N 2.88Å; D355-K401 WeakPolarHBondContact OD2-CA 3.11Å; D355-K401 VanDerWaalsContact OD2-CB 3.27Å; D355-K401 WeakPolarHBondContact OD2-CB 3.45Å; D355-K401 PolarHBondContact OD2-N 3.24Å; L356-K401 HydrophobicContact CD2-CB 3.79Å; L356-K401 HydrophobicContact CD2-CD 4.25Å; L356-K401 HydrophobicContact CD2-CG 4.24Å; L356-K401 HydrophobicContact CG-CB 4.17Å; D360-K401 WeakPolarHBondContact OD1-CE 3.47Å; D360-K401 IonicContact OD1-NZ 2.67Å; D360-K401 PolarHBondContact OD1-NZ 3.42Å; D360-K401 IonicContact OD2-NZ 3.95Å; K401-Q447 WeakPolarHBondContact O-CA 3.31Å
402	N	90.7	Very high	95.9	Very high	94 Å²	94	26.7 Å²	26.7	50%	0.503	12%	0.121	S	C	.	.	S	Bend	trans	-98.1	-23.8	-175.2	60.7	30.6	0	0	0	115.4	D355	D355-N402 WeakPolarHBondContact OD2-CB 3.36Å; D355-N402 PolarHBondContact OD2-N 3.16Å; D355-N402 PolarHBondContact OD2-ND2 2.94Å; D355-N402 PolarHBondContact OD2-OD1 2.88Å
403	G	94.3	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	153.8	160	-179	0	0	0	0	0	111.4	Q400 K439	Q400-G403 WeakPolarHBondContact CB-O 3.37Å; G403-K439 CarbonylContact C-O 3.6Å; G403-K439 WeakPolarHBondContact CA-O 3.19Å; G403-K439 WeakPolarHBondContact O-CA 3.47Å
404	G	96.3	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	61.5	-153.7	179.9	0	0	0	0	0	114.4	M399 Q400 E437 Y438 T441 Q447	M399-G404 WeakPolarHBondContact CA-O 3.44Å; Q400-G404 PolarHBondContact N-O 3.42Å; Q400-G404 VanDerWaalsContact N-O 3.11Å; G404-E437 VanDerWaalsContact CA-O 3.31Å; G404-E437 WeakPolarHBondContact CA-O 3.3Å; G404-Y438 WeakPolarHBondContact CA-O 3.3Å; G404-Y438 PolarHBondContact N-O 3.18Å; G404-T441 PolarHBondContact N-O 2.99Å; G404-Q447 PolarHBondContact O-NE2 3.24Å
405	Y	97.3	Very high	95.1	Very high	16 Å²	16	22.5 Å²	22.5	6%	0.063	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	171.6	-170	60.6	-105.9	0	0	0	113.3	R397 W398 W407 P436 E437 Y438 M443	R397-Y405 HydrophobicContact CB-CD1 4.13Å; R397-Y405 HydrophobicContact CB-CD2 3.74Å; R397-Y405 HydrophobicContact CB-CE2 4.38Å; R397-Y405 HydrophobicContact CB-CG 3.63Å; R397-Y405 HydrophobicContact CG-CD1 4.13Å; R397-Y405 HydrophobicContact CG-CD2 3.45Å; R397-Y405 VanDerWaalsContact CG-CD2 3.45Å; R397-Y405 HydrophobicContact CG-CE1 4.24Å; R397-Y405 HydrophobicContact CG-CE2 3.61Å; R397-Y405 HydrophobicContact CG-CG 3.77Å; W398-Y405 CarbonylContact O-C 3.56Å; W398-Y405 VanDerWaalsContact O-CA 3.27Å; W398-Y405 WeakPolarHBondContact O-CA 3.04Å; W398-Y405 WeakPolarHBondContact O-CB 3.12Å; Y405-W407 AromaticContact CE2-CD1 3.91Å; Y405-W407 AromaticContact CE2-CE2 3.94Å; Y405-W407 HydrophobicContact CE2-CZ2 4.44Å; Y405-W407 AromaticContact CE2-NE1 3.5Å; Y405-P436 CarbonylContact O-C 3.6Å; Y405-P436 WeakPolarHBondContact O-CA 3.39Å; Y405-E437 HydrophobicContact CD2-CB 4.25Å; Y405-E437 HydrophobicContact CE2-CB 3.65Å; Y405-E437 HydrophobicContact CE2-CG 4.14Å; Y405-E437 WeakPolarHBondContact CE2-OE2 3.49Å; Y405-E437 VanDerWaalsContact CZ-OE2 3.28Å; Y405-E437 PolarHBondContact N-O 3.38Å; Y405-E437 PolarHBondContact O-N 3.29Å; Y405-E437 PolarHBondContact OH-OE2 3.14Å; Y405-Y438 AromaticContact CE1-CD2 3.97Å; Y405-Y438 HydrophobicContact CE1-CD2 3.97Å; Y405-Y438 AromaticContact CZ-CD2 3.89Å; Y405-Y438 WeakPolarHBondContact OH-CD2 3.47Å; Y405-Y438 WeakPolarHBondContact OH-CE2 3.46Å; Y405-M443 HydrophobicContact CD1-CE 3.97Å; Y405-M443 HydrophobicContact CD1-SD 3.88Å; Y405-M443 HydrophobicContact CE1-CE 4.06Å; Y405-M443 HydrophobicContact CE1-SD 4.44Å
406	I	97.1	Very high	94.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.2	160.8	53.2	161.1	0	0	0	111	M354 R397 W398 I408 L432 P436	M354-I406 HydrophobicContact CE-CD1 3.88Å; M354-I406 HydrophobicContact CE-CG1 4.24Å; M354-I406 HydrophobicContact CG-CD1 3.55Å; M354-I406 HydrophobicContact CG-CG1 4.47Å; M354-I406 HydrophobicContact SD-CD1 3.63Å; R397-I406 CarbonylContact C-O 3.5Å; R397-I406 WeakPolarHBondContact CA-O 3.32Å; W398-I406 HydrophobicContact CB-CG1 4.15Å; W398-I406 PolarHBondContact N-O 2.97Å; W398-I406 PolarHBondContact O-N 3.26Å; I406-I408 HydrophobicContact CD1-CD1 3.67Å; I406-I408 HydrophobicContact CD1-CG1 3.88Å; I406-I408 HydrophobicContact CG1-CD1 4.27Å; I406-I408 HydrophobicContact CG1-CG1 4.28Å; I406-L432 HydrophobicContact CB-CD1 4.15Å; I406-L432 HydrophobicContact CD1-CD1 3.38Å; I406-L432 HydrophobicContact CG1-CD1 4.34Å; I406-L432 HydrophobicContact CG2-CD1 4.48Å; I406-P436 HydrophobicContact CG2-CB 4.19Å; I406-P436 HydrophobicContact CG2-CG 3.78Å
407	W	97.9	Very high	93.3	Very high	67 Å²	67	27.1 Å²	27.1	25%	0.254	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.1	171.1	-71.8	100.6	0	0	0	111.5	R397 Y405 L433 S434 E437	R397-W407 HydrophobicContact CG-CD2 3.82Å; R397-W407 HydrophobicContact CG-CE3 3.72Å; R397-W407 HydrophobicContact CG-CH2 3.67Å; R397-W407 HydrophobicContact CG-CZ2 3.75Å; R397-W407 HydrophobicContact CG-CZ3 3.65Å; Y405-W407 AromaticContact CE2-CD1 3.91Å; Y405-W407 AromaticContact CE2-CE2 3.94Å; Y405-W407 HydrophobicContact CE2-CZ2 4.44Å; Y405-W407 AromaticContact CE2-NE1 3.5Å; W407-L433 HydrophobicContact CB-CB 3.82Å; W407-L433 HydrophobicContact CB-CD1 4.33Å; W407-L433 WeakPolarHBondContact O-CB 3.38Å; W407-L433 PolarHBondContact O-N 3.04Å; W407-S434 PolarHBondContact N-OG 2.97Å; W407-E437 PolarHBondContact NE1-OE1 2.85Å; W407-E437 PolarHBondContact NE1-OE2 3.1Å
408	I	96.9	Very high	92.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148	177.8	-68	-177.3	0	0	0	110.7	F333 Y395 Y396 W398 I406 S410 N430 Y431	F333-I408 HydrophobicContact CE1-CD1 4.18Å; F333-I408 HydrophobicContact CZ-CD1 4.21Å; Y395-I408 WeakPolarHBondContact CA-O 3.32Å; Y396-I408 HydrophobicContact CD1-CB 4.44Å; Y396-I408 HydrophobicContact CD1-CG2 4.44Å; Y396-I408 WeakPolarHBondContact CD1-O 3.41Å; Y396-I408 HydrophobicContact CE1-CB 4.03Å; Y396-I408 HydrophobicContact CE1-CG2 3.64Å; Y396-I408 HydrophobicContact CE2-CB 4.48Å; Y396-I408 PolarHBondContact N-O 3.03Å; Y396-I408 PolarHBondContact O-N 3.27Å; W398-I408 HydrophobicContact CB-CD1 3.8Å; W398-I408 HydrophobicContact CB-CG1 4.44Å; W398-I408 HydrophobicContact CD2-CD1 4.14Å; W398-I408 HydrophobicContact CE3-CD1 3.75Å; W398-I408 HydrophobicContact CG-CD1 4.19Å; I406-I408 HydrophobicContact CD1-CD1 3.67Å; I406-I408 HydrophobicContact CD1-CG1 3.88Å; I406-I408 HydrophobicContact CG1-CD1 4.27Å; I406-I408 HydrophobicContact CG1-CG1 4.28Å; I408-S410 VanDerWaalsContact CG2-OG 3.27Å; I408-S410 WeakPolarHBondContact CG2-OG 3.42Å; I408-N430 HydrophobicContact CD1-CB 4.5Å; I408-N430 HydrophobicContact CG2-CB 4Å; I408-Y431 VanDerWaalsContact CA-O 3.3Å; I408-Y431 WeakPolarHBondContact CA-O 3.31Å
409	Q	96	Very high	91.2	Very high	24 Å²	24	40.6 Å²	40.6	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.5	152.6	-162.3	176.6	30	0	0	109.2	V392 T393 Y395 Y431 L433	V392-Q409 HydrophobicContact CG1-CG 3.99Å; V392-Q409 VanDerWaalsContact CG1-NE2 3.35Å; T393-Q409 WeakPolarHBondContact O-CG 3.35Å; T393-Q409 PolarHBondContact O-NE2 3.24Å; Y395-Q409 HydrophobicContact CD1-CB 3.72Å; Y395-Q409 HydrophobicContact CD1-CG 3.93Å; Y395-Q409 HydrophobicContact CE1-CB 3.78Å; Y395-Q409 VanDerWaalsContact CE1-CD 3.45Å; Y395-Q409 HydrophobicContact CE1-CG 3.9Å; Q409-Y431 HydrophobicContact CB-CD2 4.5Å; Q409-Y431 PolarHBondContact N-O 2.93Å; Q409-Y431 WeakPolarHBondContact O-CA 3.37Å; Q409-Y431 WeakPolarHBondContact O-CB 3.23Å; Q409-Y431 WeakPolarHBondContact O-CD2 3.19Å; Q409-Y431 PolarHBondContact O-N 3.27Å; Q409-L433 HydrophobicContact CB-CD1 4.25Å
410	S	95.2	Very high	90.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.3	177	-55.5	0	0	0	0	112.8	V392 T393 Y396 I408 W428 V429 N430	V392-S410 WeakPolarHBondContact CA-O 3.23Å; T393-S410 PolarHBondContact N-O 3.3Å; T393-S410 PolarHBondContact OG1-N 3.31Å; Y396-S410 PolarHBondContact OH-OG 3.3Å; I408-S410 VanDerWaalsContact CG2-OG 3.27Å; I408-S410 WeakPolarHBondContact CG2-OG 3.42Å; S410-W428 PolarHBondContact OG-NE1 2.98Å; S410-W428 VanDerWaalsContact OG-NE1 3.14Å; S410-V429 CarbonylContact C-O 3.53Å; S410-V429 WeakPolarHBondContact CA-O 3.46Å; S410-N430 PolarHBondContact OG-OD1 2.86Å
411	S	93.4	Very high	89.4	Confident	13 Å²	13	45.6 Å²	45.6	9%	0.091	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.6	169.1	-177.1	0	0	0	0	108.2	V429	S411-V429 PolarHBondContact N-O 3.11Å; S411-V429 PolarHBondContact O-N 3.06Å
412	A	93.7	Very high	88.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.3	-173.4	0	0	0	0	0	111.7	L385 Q390 C391 I426 I427 W428	L385-A412 HydrophobicContact CD1-CB 4.03Å; L385-A412 HydrophobicContact CD2-CB 3.71Å; Q390-A412 WeakPolarHBondContact CA-O 3.37Å; C391-A412 PolarHBondContact N-O 2.92Å; C391-A412 PolarHBondContact O-N 3.01Å; A412-I426 HydrophobicContact CB-CG2 4.24Å; A412-I427 WeakPolarHBondContact CA-O 3.32Å; A412-W428 HydrophobicContact CB-CD2 4Å; A412-W428 HydrophobicContact CB-CE3 3.32Å; A412-W428 HydrophobicContact CB-CZ3 3.65Å
413	T	92.8	Very high	88.4	Confident	13 Å²	13	47.7 Å²	47.7	8%	0.08	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	134.9	-178.7	-72.6	0	0	0	0	111.2	P321 Q390 A415 I426 I427	P321-T413 HydrophobicContact CB-CG2 3.52Å; Q390-T413 HydrophobicContact CG-CG2 3.9Å; Q390-T413 WeakPolarHBondContact CG-OG1 3.32Å; Q390-T413 PolarHBondContact NE2-OG1 3.19Å; T413-A415 PolarHBondContact O-N 2.87Å; T413-I426 WeakPolarHBondContact O-CA 3.35Å; T413-I427 PolarHBondContact N-O 3.4Å; T413-I427 PolarHBondContact O-N 3.44Å
414	I	91.5	Very high	88.1	Confident	34 Å²	34	52.7 Å²	52.7	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.9	173.8	-59.7	176.1	0	0	0	109.1	M339 L385 G389 K424 I426	M339-I414 HydrophobicContact CE-CD1 3.92Å; M339-I414 HydrophobicContact SD-CD1 4.44Å; M339-I414 HydrophobicContact SD-CG2 4.43Å; L385-I414 HydrophobicContact CD1-CG1 4.17Å; L385-I414 HydrophobicContact CG-CG1 4.32Å; L385-I414 WeakPolarHBondContact O-CD1 3.24Å; G389-I414 PolarHBondContact O-N 2.87Å; I414-K424 HydrophobicContact CG2-CB 4.25Å; I414-I426 HydrophobicContact CG1-CG1 3.97Å
415	A	85.8	Confident	87.8	Confident	18 Å²	18	54.2 Å²	54.2	15%	0.149	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.8	168.9	0	0	0	0	0	110.2	T413 K424 N425 I427	T413-A415 PolarHBondContact O-N 2.87Å; A415-K424 WeakPolarHBondContact O-CA 3.32Å; A415-N425 PolarHBondContact N-O 3.08Å; A415-N425 PolarHBondContact O-N 3.16Å; A415-N425 VanDerWaalsContact O-O 3.08Å; A415-I427 HydrophobicContact CB-CG1 3.96Å
416	I	81.9	Confident	87.7	Confident	87 Å²	87	53.5 Å²	53.5	45%	0.446	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.6	174.7	-56.1	174.8	0	0	0	107.5	A418 A421 K424	I416-A418 PolarHBondContact O-N 3.2Å; I416-A421 HydrophobicContact CG2-CB 4.42Å; I416-K424 HydrophobicContact CG1-CG 4.38Å
417	N	75.6	Confident	87.5	Confident	51 Å²	51	54.5 Å²	54.5	27%	0.273	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-64.9	123.6	175.8	-177.4	-8	0	0	0	110.1	K419 N420 E423	N417-K419 PolarHBondContact O-N 2.87Å; N417-K419 VanDerWaalsContact O-N 3.16Å; N417-K419 PolarHBondContact OD1-N 3.49Å; N417-N420 CarbonylContact O-C 3.52Å; N417-N420 VanDerWaalsContact O-C 3.24Å; N417-N420 PolarHBondContact O-N 3.15Å; N417-N420 VanDerWaalsContact O-N 3.14Å; N417-N420 VanDerWaalsContact O-O 3.08Å; N417-E423 HydrophobicContact CB-CB 3.78Å; N417-E423 PolarHBondContact N-O 3.02Å; N417-E423 PolarHBondContact ND2-OE2 2.7Å
418	A	74.5	Confident	87.3	Confident	111 Å²	111	51.3 Å²	51.3	92%	0.917	28%	0.283	S	S	*	.	S	Bend	trans	-63.2	-19.3	179.7	0	0	0	0	0	113.8	I416	I416-A418 PolarHBondContact O-N 3.2Å
419	K	78.4	Confident	87.1	Confident	198 Å²	198	51.8 Å²	51.8	86%	0.861	29%	0.286	S	S	*	.	S	Bend	trans	-88.4	-30.1	174.3	-63.3	-175.9	179	-178.4	0	113.4	N417	N417-K419 PolarHBondContact O-N 2.87Å; N417-K419 VanDerWaalsContact O-N 3.16Å; N417-K419 PolarHBondContact OD1-N 3.49Å
420	N	76.9	Confident	87	Confident	59 Å²	59	50.6 Å²	50.6	32%	0.316	28%	0.281	S	S	.	.			trans	-141.1	104.2	-176.6	-177.6	-1.6	0	0	0	110.1	N417 N422 E423	N417-N420 CarbonylContact O-C 3.52Å; N417-N420 VanDerWaalsContact O-C 3.24Å; N417-N420 PolarHBondContact O-N 3.15Å; N417-N420 VanDerWaalsContact O-N 3.14Å; N417-N420 VanDerWaalsContact O-O 3.08Å; N420-N422 PolarHBondContact O-N 2.88Å; N420-N422 VanDerWaalsContact O-N 3.09Å; N420-N422 WeakPolarHBondContact OD1-CB 3.33Å; N420-N422 PolarHBondContact OD1-N 3.36Å; N420-N422 VanDerWaalsContact OD1-N 3.12Å; N420-E423 HydrophobicContact CB-CB 4.26Å; N420-E423 HydrophobicContact CB-CG 4.21Å; N420-E423 WeakPolarHBondContact CB-OE1 3.15Å; N420-E423 PolarHBondContact ND2-OE1 3.27Å; N420-E423 PolarHBondContact O-N 3.3Å
421	A	77.2	Confident	87	Confident	69 Å²	69	51.9 Å²	51.9	57%	0.57	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.7	-176.3	0	0	0	0	0	114.4	I416	I416-A421 HydrophobicContact CG2-CB 4.42Å
422	N	79.3	Confident	87	Confident	144 Å²	144	52.3 Å²	52.3	77%	0.77	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-25.6	176.2	-64.2	-14.5	0	0	0	112.1	N420 K424	N420-N422 PolarHBondContact O-N 2.88Å; N420-N422 VanDerWaalsContact O-N 3.09Å; N420-N422 WeakPolarHBondContact OD1-CB 3.33Å; N420-N422 PolarHBondContact OD1-N 3.36Å; N420-N422 VanDerWaalsContact OD1-N 3.12Å; N422-K424 PolarHBondContact O-N 3.42Å
423	E	84	Confident	87	Confident	98 Å²	98	55.8 Å²	55.8	46%	0.458	31%	0.305	S	S	.	.			trans	-76.2	106.3	174.6	-80.6	167.6	-130.3	0	0	110.6	N417 N420	N417-E423 HydrophobicContact CB-CB 3.78Å; N417-E423 PolarHBondContact N-O 3.02Å; N417-E423 PolarHBondContact ND2-OE2 2.7Å; N420-E423 HydrophobicContact CB-CB 4.26Å; N420-E423 HydrophobicContact CB-CG 4.21Å; N420-E423 WeakPolarHBondContact CB-OE1 3.15Å; N420-E423 PolarHBondContact ND2-OE1 3.27Å; N420-E423 PolarHBondContact O-N 3.3Å
424	K	87.9	Confident	87.1	Confident	105 Å²	105	56.1 Å²	56.1	46%	0.457	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.5	175	-61.7	176	-172.8	167.5	0	109.3	M339 I414 A415 I416 N422	M339-K424 HydrophobicContact CG-CB 4.33Å; M339-K424 HydrophobicContact SD-CB 3.91Å; I414-K424 HydrophobicContact CG2-CB 4.25Å; A415-K424 WeakPolarHBondContact O-CA 3.32Å; I416-K424 HydrophobicContact CG1-CG 4.38Å; N422-K424 PolarHBondContact O-N 3.42Å
425	N	91.4	Very high	87.2	Confident	32 Å²	32	60.6 Å²	60.6	17%	0.171	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.6	170.3	61.3	91.7	0	0	0	109.2	R336 I344 A415 I427	R336-N425 WeakPolarHBondContact CD-OD1 3.45Å; R336-N425 HydrophobicContact CG-CB 4.1Å; I344-N425 HydrophobicContact CD1-CB 4.45Å; A415-N425 PolarHBondContact N-O 3.08Å; A415-N425 PolarHBondContact O-N 3.16Å; A415-N425 VanDerWaalsContact O-O 3.08Å; N425-I427 WeakPolarHBondContact OD1-CD1 3.46Å
426	I	93.5	Very high	87.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.9	175.8	-71.2	159.2	0	0	0	107.8	R336 V337 M339 L341 L385 A412 T413 I414 W428	R336-I426 WeakPolarHBondContact CA-O 3.4Å; V337-I426 HydrophobicContact CG2-CB 3.63Å; V337-I426 HydrophobicContact CG2-CD1 4.46Å; V337-I426 HydrophobicContact CG2-CG2 3.72Å; V337-I426 PolarHBondContact N-O 3.41Å; V337-I426 PolarHBondContact O-N 3.27Å; M339-I426 HydrophobicContact SD-CD1 4.2Å; M339-I426 HydrophobicContact SD-CG1 4.22Å; L341-I426 HydrophobicContact CD2-CD1 4.07Å; L385-I426 HydrophobicContact CD2-CD1 3.67Å; L385-I426 HydrophobicContact CD2-CG1 4.02Å; L385-I426 HydrophobicContact CD2-CG2 3.8Å; L385-I426 HydrophobicContact CG-CD1 4.38Å; A412-I426 HydrophobicContact CB-CG2 4.24Å; T413-I426 WeakPolarHBondContact O-CA 3.35Å; I414-I426 HydrophobicContact CG1-CG1 3.97Å; I426-W428 HydrophobicContact CG2-CB 4.33Å; I426-W428 HydrophobicContact CG2-CE3 4.01Å
427	I	93.3	Very high	88.3	Confident	21 Å²	21	61.8 Å²	61.8	11%	0.108	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.4	164.3	-52.5	-57.7	0	0	0	106.9	I323 V334 R336 A412 T413 A415 N425 V429	I323-I427 HydrophobicContact CD1-CG2 4.3Å; V334-I427 HydrophobicContact CG1-CG2 3.88Å; R336-I427 HydrophobicContact CB-CD1 4.4Å; R336-I427 HydrophobicContact CG-CD1 4.08Å; A412-I427 WeakPolarHBondContact CA-O 3.32Å; T413-I427 PolarHBondContact N-O 3.4Å; T413-I427 PolarHBondContact O-N 3.44Å; A415-I427 HydrophobicContact CB-CG1 3.96Å; N425-I427 WeakPolarHBondContact OD1-CD1 3.46Å; I427-V429 HydrophobicContact CG2-CG2 4.22Å
428	W	93.9	Very high	89.2	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	101.1	-172.6	-171.4	-79.1	0	0	0	108	T335 L341 I378 L385 T393 Y396 S410 A412 I426 N430	T335-W428 PolarHBondContact N-O 3.16Å; T335-W428 PolarHBondContact O-N 2.94Å; T335-W428 PolarHBondContact OG1-O 3.45Å; L341-W428 HydrophobicContact CD1-CH2 4.46Å; L341-W428 HydrophobicContact CD1-CZ3 4.38Å; L341-W428 HydrophobicContact CD2-CE3 4.05Å; L341-W428 HydrophobicContact CD2-CZ3 3.85Å; I378-W428 HydrophobicContact CG2-CH2 4.28Å; L385-W428 HydrophobicContact CD2-CE3 4.4Å; L385-W428 HydrophobicContact CD2-CZ3 4.11Å; T393-W428 HydrophobicContact CG2-CH2 3.8Å; T393-W428 HydrophobicContact CG2-CZ2 3.71Å; Y396-W428 PolarHBondContact OH-NE1 3.49Å; S410-W428 PolarHBondContact OG-NE1 2.98Å; S410-W428 VanDerWaalsContact OG-NE1 3.14Å; A412-W428 HydrophobicContact CB-CD2 4Å; A412-W428 HydrophobicContact CB-CE3 3.32Å; A412-W428 HydrophobicContact CB-CZ3 3.65Å; I426-W428 HydrophobicContact CG2-CB 4.33Å; I426-W428 HydrophobicContact CG2-CE3 4.01Å; W428-N430 PolarHBondContact NE1-OD1 2.96Å; W428-N430 PolarHBondContact O-ND2 2.97Å
429	V	93	Very high	90.1	Very high	10 Å²	10	66.4 Å²	66.4	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.1	-175.4	-176	0	0	0	0	108.6	V334 S410 S411 I427 Y431	V334-V429 HydrophobicContact CG1-CG2 4.47Å; V334-V429 HydrophobicContact CG2-CG1 4.5Å; V334-V429 HydrophobicContact CG2-CG2 4.33Å; S410-V429 CarbonylContact C-O 3.53Å; S410-V429 WeakPolarHBondContact CA-O 3.46Å; S411-V429 PolarHBondContact N-O 3.11Å; S411-V429 PolarHBondContact O-N 3.06Å; I427-V429 HydrophobicContact CG2-CG2 4.22Å; V429-Y431 HydrophobicContact CG1-CD1 4.44Å; V429-Y431 HydrophobicContact CG1-CE1 3.65Å
430	N	94.7	Very high	90.7	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.8	-175.4	-51.4	-80.1	0	0	0	110.5	M332 F333 T335 I408 S410 W428	M332-N430 CarbonylContact C-O 3.59Å; M332-N430 WeakPolarHBondContact CA-O 3.47Å; M332-N430 VanDerWaalsContact CB-O 3.25Å; M332-N430 WeakPolarHBondContact CB-O 3.37Å; F333-N430 HydrophobicContact CD1-CB 3.99Å; F333-N430 HydrophobicContact CD2-CB 4.39Å; F333-N430 HydrophobicContact CE1-CB 3.68Å; F333-N430 HydrophobicContact CE2-CB 4.1Å; F333-N430 VanDerWaalsContact CE2-ND2 3.34Å; F333-N430 WeakPolarHBondContact CE2-ND2 3.44Å; F333-N430 HydrophobicContact CG-CB 4.34Å; F333-N430 HydrophobicContact CZ-CB 3.74Å; F333-N430 PolarHBondContact N-O 2.94Å; F333-N430 WeakPolarHBondContact O-CB 3.29Å; F333-N430 PolarHBondContact O-N 3.25Å; F333-N430 PolarHBondContact O-ND2 3.35Å; T335-N430 PolarHBondContact OG1-ND2 2.91Å; T335-N430 VanDerWaalsContact OG1-ND2 3.15Å; I408-N430 HydrophobicContact CD1-CB 4.5Å; I408-N430 HydrophobicContact CG2-CB 4Å; S410-N430 PolarHBondContact OG-OD1 2.86Å; W428-N430 PolarHBondContact NE1-OD1 2.96Å; W428-N430 PolarHBondContact O-ND2 2.97Å
431	Y	93.3	Very high	91.5	Very high	27 Å²	27	63.8 Å²	63.8	11%	0.106	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.4	172.7	-53	-48.3	0	0	0	109.2	M332 I408 Q409 V429 R830	M332-Y431 HydrophobicContact CB-CD1 3.77Å; M332-Y431 HydrophobicContact CB-CE1 4.23Å; M332-Y431 HydrophobicContact CE-CD1 3.9Å; M332-Y431 HydrophobicContact CE-CE1 3.78Å; M332-Y431 HydrophobicContact SD-CD1 4.36Å; M332-Y431 HydrophobicContact SD-CE1 3.96Å; I408-Y431 VanDerWaalsContact CA-O 3.3Å; I408-Y431 WeakPolarHBondContact CA-O 3.31Å; Q409-Y431 HydrophobicContact CB-CD2 4.5Å; Q409-Y431 PolarHBondContact N-O 2.93Å; Q409-Y431 WeakPolarHBondContact O-CA 3.37Å; Q409-Y431 WeakPolarHBondContact O-CB 3.23Å; Q409-Y431 WeakPolarHBondContact O-CD2 3.19Å; Q409-Y431 PolarHBondContact O-N 3.27Å; V429-Y431 HydrophobicContact CG1-CD1 4.44Å; V429-Y431 HydrophobicContact CG1-CE1 3.65Å; Y431-R830 VanDerWaalsContact CE1-NH2 3.26Å; Y431-R830 PolarHBondContact OH-NH2 2.88Å
432	L	94.3	Very high	92.3	Very high	21 Å²	21	63.7 Å²	63.7	11%	0.11	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.3	177.9	-174.3	73.3	0	0	0	109.9	H331 Y353 I406 S434	H331-L432 HydrophobicContact CB-CB 4.17Å; H331-L432 WeakPolarHBondContact O-CB 3.24Å; H331-L432 PolarHBondContact O-N 3.03Å; Y353-L432 HydrophobicContact CD1-CD2 3.79Å; Y353-L432 HydrophobicContact CG-CD2 3.81Å; I406-L432 HydrophobicContact CB-CD1 4.15Å; I406-L432 HydrophobicContact CD1-CD1 3.38Å; I406-L432 HydrophobicContact CG1-CD1 4.34Å; I406-L432 HydrophobicContact CG2-CD1 4.48Å; L432-S434 VanDerWaalsContact CD1-O 3.27Å; L432-S434 WeakPolarHBondContact CD1-O 3.49Å; L432-S434 WeakPolarHBondContact CG-O 3.33Å
433	L	94.3	Very high	93	Very high	73 Å²	73	60.2 Å²	60.2	38%	0.382	30%	0.304	S	S	.	.			trans	-114.2	-22.3	-177.8	-51.1	175.5	0	0	0	113	Y395 W407 Q409	Y395-L433 HydrophobicContact CD1-CD1 3.28Å; Y395-L433 HydrophobicContact CE1-CD1 3.72Å; Y395-L433 HydrophobicContact CG-CD1 3.76Å; W407-L433 HydrophobicContact CB-CB 3.82Å; W407-L433 HydrophobicContact CB-CD1 4.33Å; W407-L433 WeakPolarHBondContact O-CB 3.38Å; W407-L433 PolarHBondContact O-N 3.04Å; Q409-L433 HydrophobicContact CB-CD1 4.25Å
434	S	94.3	Very high	93.4	Very high	21 Å²	21	58.4 Å²	58.4	15%	0.147	30%	0.298	C	S	.	.			trans	-141.9	162.7	178.8	79.2	0	0	0	0	112.1	W407 L432	W407-S434 PolarHBondContact N-OG 2.97Å; L432-S434 VanDerWaalsContact CD1-O 3.27Å; L432-S434 WeakPolarHBondContact CD1-O 3.49Å; L432-S434 WeakPolarHBondContact CG-O 3.33Å
435	N	93.3	Very high	93.7	Very high	128 Å²	128	58.4 Å²	58.4	68%	0.684	30%	0.302	S	S	*	.	S	Bend	trans	-75.5	171.3	157.3	-66.4	-22.3	0	0	0	109.8	E437	N435-E437 PolarHBondContact O-N 3.09Å
436	P	94.9	Very high	93.6	Very high	62 Å²	62	60.3 Å²	60.3	40%	0.403	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-57.5	122.1	178.1	-28.9	36.7	0	0	0	114	Q400 Y405 I406	Q400-P436 HydrophobicContact CG-CB 4.35Å; Y405-P436 CarbonylContact O-C 3.6Å; Y405-P436 WeakPolarHBondContact O-CA 3.39Å; I406-P436 HydrophobicContact CG2-CB 4.19Å; I406-P436 HydrophobicContact CG2-CG 3.78Å
437	E	96.2	Very high	93.5	Very high	67 Å²	67	60.7 Å²	60.7	31%	0.313	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-100.4	145.5	174.3	-65.3	-179.3	-170.9	0	0	110.1	G404 Y405 W407 N435 K439	G404-E437 VanDerWaalsContact CA-O 3.31Å; G404-E437 WeakPolarHBondContact CA-O 3.3Å; Y405-E437 HydrophobicContact CD2-CB 4.25Å; Y405-E437 HydrophobicContact CE2-CB 3.65Å; Y405-E437 HydrophobicContact CE2-CG 4.14Å; Y405-E437 WeakPolarHBondContact CE2-OE2 3.49Å; Y405-E437 VanDerWaalsContact CZ-OE2 3.28Å; Y405-E437 PolarHBondContact N-O 3.38Å; Y405-E437 PolarHBondContact O-N 3.29Å; Y405-E437 PolarHBondContact OH-OE2 3.14Å; W407-E437 PolarHBondContact NE1-OE1 2.85Å; W407-E437 PolarHBondContact NE1-OE2 3.1Å; N435-E437 PolarHBondContact O-N 3.09Å; E437-K439 PolarHBondContact O-N 3.4Å; E437-K439 VanDerWaalsContact O-N 3.1Å
438	Y	95.3	Very high	93.4	Very high	153 Å²	153	64 Å²	64	60%	0.6	34%	0.341	S	S	*	.	S	Bend	trans	54.1	27.8	175.5	-57	-78.9	0	0	0	116.1	G404 Y405 D440 T441	G404-Y438 WeakPolarHBondContact CA-O 3.3Å; G404-Y438 PolarHBondContact N-O 3.18Å; Y405-Y438 AromaticContact CE1-CD2 3.97Å; Y405-Y438 HydrophobicContact CE1-CD2 3.97Å; Y405-Y438 AromaticContact CZ-CD2 3.89Å; Y405-Y438 WeakPolarHBondContact OH-CD2 3.47Å; Y405-Y438 WeakPolarHBondContact OH-CE2 3.46Å; Y438-D440 PolarHBondContact O-N 3.16Å; Y438-T441 PolarHBondContact O-N 2.84Å
439	K	92.4	Very high	92.4	Very high	106 Å²	106	69.1 Å²	69.1	46%	0.461	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-27.1	-178.9	55.6	150.2	-171.7	114	0	116.9	G403 E437 T441	G403-K439 CarbonylContact C-O 3.6Å; G403-K439 WeakPolarHBondContact CA-O 3.19Å; G403-K439 WeakPolarHBondContact O-CA 3.47Å; E437-K439 PolarHBondContact O-N 3.4Å; E437-K439 VanDerWaalsContact O-N 3.1Å; K439-T441 VanDerWaalsContact C-N 3.31Å
440	D	91.9	Very high	90.6	Very high	128 Å²	128	77.5 Å²	77.5	68%	0.684	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	4.8	-177.9	-50	-68.7	0	0	0	112.7	Y438	Y438-D440 PolarHBondContact O-N 3.16Å
441	T	92.2	Very high	88.6	Confident	74 Å²	74	82.4 Å²	82.4	45%	0.454	44%	0.438	S	S	.	.	S	Bend	trans	-121.6	106.8	-178.2	-56.8	0	0	0	0	110.8	G404 Y438 K439	G404-T441 PolarHBondContact N-O 2.99Å; Y438-T441 PolarHBondContact O-N 2.84Å; K439-T441 VanDerWaalsContact C-N 3.31Å
442	P	94.2	Very high	86.2	Confident	67 Å²	67	86.7 Å²	86.7	44%	0.435	47%	0.469	S	S	.	.			trans	-69.9	140.7	172	29.3	-33.8	0	0	0	111.1	Q447 L448	P442-Q447 HydrophobicContact CB-CB 3.91Å; P442-L448 HydrophobicContact CB-CD2 3.99Å; P442-L448 HydrophobicContact CG-CD2 4Å
443	M	93.7	Very high	83.6	Confident	72 Å²	72	94.6 Å²	94.6	36%	0.355	51%	0.505	S	S	.	.			trans	-123.2	-26.6	-174.3	-61.1	178.9	178.2	0	0	112.5	M399 Y405	M399-M443 HydrophobicContact SD-CB 4.45Å; Y405-M443 HydrophobicContact CD1-CE 3.97Å; Y405-M443 HydrophobicContact CD1-SD 3.88Å; Y405-M443 HydrophobicContact CE1-CE 4.06Å; Y405-M443 HydrophobicContact CE1-SD 4.44Å
444	D	94.4	Very high	80.9	Confident	60 Å²	60	100.2 Å²	100.2	32%	0.321	53%	0.527	S	S	.	.	S	Bend	trans	-126.7	158.5	176.1	-176.9	-100.2	0	0	0	111.5	M399 A446 Q447	M399-D444 HydrophobicContact CE-CB 3.76Å; M399-D444 HydrophobicContact SD-CB 3.89Å; D444-A446 PolarHBondContact O-N 2.84Å; D444-A446 WeakPolarHBondContact OD1-CB 3.32Å; D444-A446 PolarHBondContact OD1-N 3.11Å; D444-Q447 WeakPolarHBondContact O-CB 3.38Å; D444-Q447 PolarHBondContact O-N 2.9Å
445	I	92.6	Very high	78.1	Confident	105 Å²	105	104.6 Å²	104.6	54%	0.538	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-58.6	-29.4	177.3	-167	168.2	0	0	0	113	Q447 L448 L451	I445-Q447 PolarHBondContact O-N 2.94Å; I445-L448 PolarHBondContact O-N 3.4Å; I445-L451 HydrophobicContact CD1-CD1 4.4Å; I445-L451 HydrophobicContact CD1-CD2 3.97Å; I445-L451 HydrophobicContact CG1-CD1 3.89Å; I445-L451 HydrophobicContact CG1-CD2 4.29Å
446	A	89.4	Confident	75.3	Confident	72 Å²	72	104.4 Å²	104.4	60%	0.595	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-66.9	-11.1	175.8	0	0	0	0	0	114.2	D444	D444-A446 PolarHBondContact O-N 2.84Å; D444-A446 WeakPolarHBondContact OD1-CB 3.32Å; D444-A446 PolarHBondContact OD1-N 3.11Å
447	Q	92.5	Very high	72.7	Confident	8 Å²	8	109 Å²	109	4%	0.037	58%	0.578	C	S	.	*	G	3₁₀ helix	trans	-98.3	-1.5	177.6	-62.4	-179.6	-36.3	0	0	113.4	Q400 K401 G404 P442 D444 I445	Q400-Q447 VanDerWaalsContact O-CG 3.3Å; Q400-Q447 WeakPolarHBondContact O-CG 3.23Å; Q400-Q447 PolarHBondContact O-NE2 2.92Å; K401-Q447 WeakPolarHBondContact O-CA 3.31Å; G404-Q447 PolarHBondContact O-NE2 3.24Å; P442-Q447 HydrophobicContact CB-CB 3.91Å; D444-Q447 WeakPolarHBondContact O-CB 3.38Å; D444-Q447 PolarHBondContact O-N 2.9Å; I445-Q447 PolarHBondContact O-N 2.94Å
448	L	89.7	Confident	69.8	Low	90 Å²	90	111.5 Å²	111.5	47%	0.471	60%	0.602	S	S	.	*	S	Bend	trans	-88	128.2	179.8	-63.9	179.2	0	0	0	111.4	P442 I445 L451	P442-L448 HydrophobicContact CB-CD2 3.99Å; P442-L448 HydrophobicContact CG-CD2 4Å; I445-L448 PolarHBondContact O-N 3.4Å; L448-L451 HydrophobicContact CB-CD1 4.4Å
449	P	73.9	Confident	67.3	Low	108 Å²	108	110 Å²	110	70%	0.701	61%	0.614	S	S	*	*	S	Bend	trans	-67.9	136.7	172.8	28.3	-33.4	0	0	0	110.9
450	H	54.8	Low	64.9	Low	185 Å²	185	113.9 Å²	113.9	86%	0.856	63%	0.634	S	S	*	*			trans	63.4	64.2	175.7	-52.4	-68	0	0	0	116.9
451	L	52.6	Low	62.6	Low	104 Å²	104	113.9 Å²	113.9	55%	0.545	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-81.2	135.5	136.5	-81.6	91.5	0	0	0	108.9	I445 L448 E453	I445-L451 HydrophobicContact CD1-CD1 4.4Å; I445-L451 HydrophobicContact CD1-CD2 3.97Å; I445-L451 HydrophobicContact CG1-CD1 3.89Å; I445-L451 HydrophobicContact CG1-CD2 4.29Å; L448-L451 HydrophobicContact CB-CD1 4.4Å; L451-E453 PolarHBondContact O-N 3.3Å
452	P	42.4	Very low	60.5	Low	117 Å²	117	116 Å²	116	76%	0.76	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-68.5	129.8	167.9	29	-32.5	0	0	0	109.1	K454	P452-K454 PolarHBondContact O-N 2.62Å
453	E	40.2	Very low	58.1	Low	186 Å²	186	120 Å²	120	87%	0.869	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-60	123.9	166.7	-68.7	-173.8	125.1	0	0	108.4	L451 T455	L451-E453 PolarHBondContact O-N 3.3Å; E453-T455 VanDerWaalsContact C-N 3.28Å; E453-T455 PolarHBondContact O-N 3.49Å
454	K	38.2	Very low	56.2	Low	192 Å²	192	121.9 Å²	121.9	84%	0.835	70%	0.695	S	S	*	*			trans	-71.1	92.1	165.9	-80.3	-167.9	173.3	-171.7	0	107.7	P452 S456	P452-K454 PolarHBondContact O-N 2.62Å; K454-S456 PolarHBondContact O-N 3.16Å; K454-S456 PolarHBondContact O-OG 2.83Å; K454-S456 VanDerWaalsContact O-OG 3.06Å
455	T	35.2	Very low	54	Low	112 Å²	112	128.6 Å²	128.6	69%	0.687	72%	0.724	S	S	*	*			trans	-47	105.3	162.9	33.3	0	0	0	0	108.1	E453 E457	E453-T455 VanDerWaalsContact C-N 3.28Å; E453-T455 PolarHBondContact O-N 3.49Å; T455-E457 PolarHBondContact O-N 3.37Å
456	S	35.3	Very low	51.5	Low	125 Å²	125	129.4 Å²	129.4	87%	0.874	74%	0.739	S	S	*	*			trans	-87.5	53.7	-178.8	-62	0	0	0	0	108.3	K454	K454-S456 PolarHBondContact O-N 3.16Å; K454-S456 PolarHBondContact O-OG 2.83Å; K454-S456 VanDerWaalsContact O-OG 3.06Å
457	E	39.5	Very low	49.5	Very low	158 Å²	158	133.3 Å²	133.3	74%	0.738	75%	0.75	S	S	*	*			trans	-98	138.2	176.4	-65.5	-170.1	136.9	0	0	108.7	T455 S459	T455-E457 PolarHBondContact O-N 3.37Å; E457-S459 PolarHBondContact O-N 2.88Å
458	S	36.3	Very low	47.5	Very low	119 Å²	119	137.2 Å²	137.2	83%	0.832	78%	0.778	S	S	*	*			trans	-42.5	122.5	-175	49.1	0	0	0	0	114.8
459	S	43	Very low	45.4	Very low	121 Å²	121	141.1 Å²	141.1	85%	0.846	79%	0.791	S	S	*	*			trans	-118.9	111.3	147.6	36.6	0	0	0	0	108.6	E457	E457-S459 PolarHBondContact O-N 2.88Å
460	E	41.6	Very low	43.9	Very low	189 Å²	189	141.8 Å²	141.8	88%	0.883	79%	0.789	S	S	*	*			trans	-72.1	156.7	171.7	-64.2	-178.3	123.8	0	0	110.2
461	T	43.6	Very low	43.3	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	78%	0.781	S	S	*	*			trans	-65.1	133.5	-176.9	48.3	0	0	0	0	112.4
462	S	47.2	Very low	42.9	Very low	118 Å²	118	139 Å²	139	83%	0.825	80%	0.795	S	S	*	*			trans	-146.9	99.4	157	-77.5	0	0	0	0	108.9
463	D	43.8	Very low	42.8	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	79%	0.79	S	S	*	*			trans	-64.5	150.7	172.8	-58.9	-73.3	0	0	0	110.8
464	S	53.8	Low	43	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	79%	0.787	S	S	*	*			trans	-150.9	109.3	166.6	-74	0	0	0	0	107.8
465	E	48.2	Very low	43.3	Very low	200 Å²	200	131 Å²	131	94%	0.935	78%	0.778	S	S	*	*			trans	-68.6	139.8	-176.9	-63.9	-170.7	108.7	0	0	111.4
466	S	40.9	Very low	43.7	Very low	123 Å²	123	133.2 Å²	133.2	86%	0.86	78%	0.781	S	S	*	*			trans	-84.3	126.7	175.9	-56.7	0	0	0	0	110.7
467	D	47.9	Very low	44.2	Very low	154 Å²	154	133.9 Å²	133.9	82%	0.824	78%	0.775	S	S	*	*			trans	-137.7	171.9	152.7	-148.2	-17.6	0	0	0	111
468	S	48.6	Very low	44.4	Very low	90 Å²	90	133.1 Å²	133.1	63%	0.629	78%	0.775	S	S	*	*			trans	-131.4	141.9	-137.1	55.4	0	0	0	0	113.6
469	K	46.8	Very low	44.7	Very low	171 Å²	171	135.7 Å²	135.7	74%	0.743	77%	0.774	S	S	*	*				162.6	149.1	120.3	-91.9	-178.6	161.7	-167.5	0	116.8
470	D	42.9	Very low	44.6	Very low	123 Å²	123	136.7 Å²	136.7	66%	0.658	77%	0.77	S	S	*	*			trans	39.8	143.4	131.6	-47.9	-24	0	0	0	121.6
471	T	42.2	Very low	44.6	Very low	111 Å²	111	131.3 Å²	131.3	68%	0.681	75%	0.754	S	S	*	*			cis	-172.1	147	-12.2	-99.5	0	0	0	0	109.5
472	S	43.7	Very low	44.5	Very low	120 Å²	120	134.3 Å²	134.3	84%	0.839	76%	0.756	S	S	*	*			trans	65.8	148	165.4	70.5	0	0	0	0	119.4
473	G	40.7	Very low	44.3	Very low	64 Å²	64	133 Å²	133	66%	0.66	75%	0.747	S	S	*	*			cis	163.5	175.2	-8.8	0	0	0	0	0	113.5
474	I	44.7	Very low	44.2	Very low	157 Å²	157	133.3 Å²	133.3	81%	0.805	75%	0.748	S	S	*	*			trans	69.7	101.5	163.5	-61.8	173.4	0	0	0	114.4
475	T	43.5	Very low	43.8	Very low	105 Å²	105	137.5 Å²	137.5	64%	0.644	76%	0.756	S	S	*	*				62	143.4	80.5	67.9	0	0	0	0	114.5
476	E	44.5	Very low	43.6	Very low	159 Å²	159	137.6 Å²	137.6	74%	0.743	75%	0.753	S	S	*	*			cis	-162.4	-175.5	7	-127.8	152.4	-178.1	0	0	110.7
477	D	44.8	Very low	43.5	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	75%	0.752	S	S	*	*			trans	62.3	141.9	157.4	-68.2	-1.2	0	0	0	120.7
478	N	43.7	Very low	43.2	Very low	141 Å²	141	134.2 Å²	134.2	75%	0.754	74%	0.744	S	S	*	*			cis	-166	-174.5	17.9	-142.9	-66.3	0	0	0	111.4
479	E	42.3	Very low	42.9	Very low	173 Å²	173	137.9 Å²	137.9	81%	0.808	75%	0.751	S	S	*	*			trans	-92.2	170.4	-174.4	-50.1	-175.6	134.7	0	0	116.1
480	N	40.5	Very low	42.8	Very low	142 Å²	142	133.8 Å²	133.8	76%	0.759	75%	0.745	S	S	*	*				154	132.9	109.9	-168.8	14.8	0	0	0	117
481	S	42.7	Very low	42.7	Very low	77 Å²	77	135.4 Å²	135.4	54%	0.538	75%	0.748	S	S	.	*			trans	68.3	125.4	148.9	-83	0	0	0	0	125.2
482	K	40.3	Very low	42.6	Very low	190 Å²	190	136.8 Å²	136.8	83%	0.826	75%	0.752	S	S	*	*			trans	73	151.7	131	-69.5	175.1	-176.9	174	0	120.1
483	S	44	Very low	42.6	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	74%	0.738	S	S	*	*			cis	-168.8	150.5	-11.3	45.7	0	0	0	0	112.6
484	D	42.5	Very low	42.6	Very low	157 Å²	157	140 Å²	140	84%	0.84	75%	0.745	S	S	*	*			trans	41.9	126.3	147.7	-54.8	-41.9	0	0	0	123.2
485	E	45.3	Very low	42.4	Very low	201 Å²	201	140 Å²	140	94%	0.939	75%	0.747	S	S	*	*				-150.3	173.4	126.5	-126.9	-172.2	137.4	0	0	112.9
486	K	42.3	Very low	42.4	Very low	202 Å²	202	139.8 Å²	139.8	88%	0.878	75%	0.747	S	S	*	*			trans	-116.4	158.3	-158.2	-66	174.3	177.3	172.7	0	115.3
487	G	39.9	Very low	41.9	Very low	82 Å²	82	140.7 Å²	140.7	85%	0.845	75%	0.751	S	S	*	*			trans	-164.8	39.4	179.8	0	0	0	0	0	118.8
488	N	41.1	Very low	42	Very low	124 Å²	124	138.6 Å²	138.6	66%	0.663	75%	0.745	S	S	*	*			trans	-9.1	141.1	168.2	-90.9	21.1	0	0	0	123.2
489	Q	42.5	Very low	41.8	Very low	166 Å²	166	137.4 Å²	137.4	78%	0.776	74%	0.738	S	S	*	*			trans	76	148.2	131.8	-71.9	170.3	-37.3	0	0	120.2
490	S	44.6	Very low	41.6	Very low	86 Å²	86	138.1 Å²	138.1	60%	0.601	73%	0.734	S	S	*	*			cis	-168.7	152	-5.8	43	0	0	0	0	113.3
491	E	41.7	Very low	41.5	Very low	156 Å²	156	141.2 Å²	141.2	73%	0.729	74%	0.741	S	S	*	*			trans	62.3	116.3	142.3	-68.4	167.7	-152.1	0	0	119.5
492	N	40.1	Very low	41.1	Very low	141 Å²	141	146.6 Å²	146.6	75%	0.754	75%	0.754	S	S	*	*				102.3	150.4	87.3	-75.4	-5.4	0	0	0	111.7
493	S	43.2	Very low	41.1	Very low	79 Å²	79	143.4 Å²	143.4	55%	0.552	76%	0.756	S	S	*	*			cis	-168.1	160.4	-21	53.7	0	0	0	0	109.4
494	E	40.2	Very low	40.6	Very low	171 Å²	171	142.1 Å²	142.1	80%	0.799	76%	0.757	S	S	*	*			trans	62.2	158.3	155.2	-67.4	149.8	136.3	0	0	118.8
495	D	40.4	Very low	40.4	Very low	159 Å²	159	142.6 Å²	142.6	85%	0.85	76%	0.759	S	S	*	*			cis	-156.2	179.8	-33.9	-136.3	25.3	0	0	0	107.5
496	P	43.5	Very low	39.9	Very low	99 Å²	99	137.6 Å²	137.6	64%	0.643	75%	0.752	S	S	*	*			trans	-120.3	172.9	-148.5	44.2	-38.4	0	0	0	119.9
497	E	35.5	Very low	39.6	Very low	179 Å²	179	134.1 Å²	134.1	84%	0.836	75%	0.752	S	S	*	*			trans	65.6	179.3	150.7	-78.5	-126.5	111.1	0	0	118.9
498	P	46.8	Very low	39.4	Very low	95 Å²	95	137.2 Å²	137.2	62%	0.617	75%	0.749	S	S	*	*				-137.9	163.8	-67.6	40.9	-25.3	0	0	0	115.4
499	D	37.7	Very low	39.3	Very low	115 Å²	115	139.1 Å²	139.1	62%	0.615	76%	0.759	S	S	*	*			trans	-170.3	128.7	138.2	-130.5	5.9	0	0	0	119.4
500	R	38.3	Very low	39	Very low	188 Å²	188	138.1 Å²	138.1	71%	0.709	76%	0.759	S	S	*	*			trans	25.4	132.1	141.6	-65.4	165.6	-168.3	122.3	3.1	124.3
501	K	38.2	Very low	38.9	Very low	208 Å²	208	143.1 Å²	143.1	90%	0.904	78%	0.775	S	S	*	*				165.8	164.1	122.5	-87.6	149.5	-168.4	165.9	0	110.3
502	K	35.6	Very low	38.8	Very low	190 Å²	190	141.6 Å²	141.6	83%	0.826	77%	0.772	S	S	*	*			cis	-174.1	154.9	-35.4	179.7	176.5	176.3	-172.1	0	107.5
503	S	39.7	Very low	38.8	Very low	123 Å²	123	140.9 Å²	140.9	86%	0.86	78%	0.777	S	S	*	*			trans	81.6	155	176.1	79.3	0	0	0	0	116.2
504	G	33.8	Very low	38.5	Very low	63 Å²	63	143.3 Å²	143.3	65%	0.649	78%	0.784	S	S	*	*			cis	161.2	143.7	-11.4	0	0	0	0	0	114.5
505	N	37.2	Very low	38.8	Very low	167 Å²	167	143 Å²	143	89%	0.893	79%	0.788	S	S	*	*			trans	66.7	144.1	-179.8	-53.3	0.3	0	0	0	114.9
506	A	35.4	Very low	38.8	Very low	96 Å²	96	142.1 Å²	142.1	79%	0.793	78%	0.783	S	S	*	*			cis	103.5	101.7	9.5	0	0	0	0	0	116.9
507	C	36.4	Very low	38.8	Very low	129 Å²	129	140.9 Å²	140.9	87%	0.872	79%	0.789	S	S	*	*			trans	-173.7	163.3	145.3	54.8	0	0	0	0	111.7
508	D	36.2	Very low	39.1	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	79%	0.786	S	S	*	*			trans	-87.8	167	-175.4	-42.7	-99.3	0	0	0	114.1
509	N	38.9	Very low	38.8	Very low	164 Å²	164	141.3 Å²	141.3	88%	0.877	79%	0.794	S	S	*	*				-179.2	147.1	123.9	-94.9	-57.9	0	0	0	112.4
510	D	35.6	Very low	39.2	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	80%	0.797	S	S	*	*			trans	-67.8	160.9	164	-57.2	-86.7	0	0	0	112.2
511	M	42.8	Very low	39.2	Very low	190 Å²	190	136.5 Å²	136.5	94%	0.936	80%	0.798	S	S	*	*				-166.2	150.9	126.1	-101.2	-54.7	154.7	0	0	112.1
512	N	38.4	Very low	39.5	Very low	124 Å²	124	133.9 Å²	133.9	66%	0.663	79%	0.794	S	S	*	*			trans	-94.3	140.9	-172.7	175.9	81.5	0	0	0	113.5
513	C	40.2	Very low	40.2	Very low	127 Å²	127	129.4 Å²	129.4	86%	0.858	79%	0.785	S	S	*	*			trans	-144	126.8	160.4	-83	0	0	0	0	111.1
514	N	37.5	Very low	40.2	Very low	130 Å²	130	130.8 Å²	130.8	70%	0.695	78%	0.783	S	S	*	*			trans	-94.7	159.1	163.8	-64.4	15.3	0	0	0	109.5
515	D	46.7	Very low	40.6	Very low	165 Å²	165	132.6 Å²	132.6	88%	0.882	79%	0.785	S	S	*	*			trans	-150.9	151.8	145.9	-157	13.7	0	0	0	110.2
516	D	41.3	Very low	40.8	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	78%	0.781	S	S	*	*			trans	-111.9	145.7	-170.8	-82.4	-69.3	0	0	0	112.7
517	G	42.8	Very low	41.2	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	78%	0.777	S	S	*	*			trans	-145.5	32.3	-159.3	0	0	0	0	0	120
518	H	42.2	Very low	41.6	Very low	171 Å²	171	135.7 Å²	135.7	79%	0.792	77%	0.773	S	S	*	*			trans	33.1	132	156	-63.6	-66.3	0	0	0	124.2
519	S	40.9	Very low	41.9	Very low	111 Å²	111	136.2 Å²	136.2	78%	0.776	78%	0.776	S	S	*	*			trans	76.3	149.7	141	-66.5	0	0	0	0	120.2
520	S	44.9	Very low	42.2	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	78%	0.775	S	S	*	*			cis	-173.7	144.6	-9.6	47.6	0	0	0	0	114.5
521	S	39.4	Very low	42.4	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	77%	0.766	S	S	*	*			trans	66.5	156.9	148.6	78.4	0	0	0	0	119.1
522	N	44.6	Very low	42.1	Very low	153 Å²	153	134.5 Å²	134.5	82%	0.818	77%	0.767	S	S	*	*			cis	-156.2	-168.9	-3.7	-127	14.6	0	0	0	111.1
523	P	49.4	Very low	41.9	Very low	97 Å²	97	137.2 Å²	137.2	63%	0.63	78%	0.776	S	S	*	*			trans	-130.4	-143.4	-138	47.2	-26.9	0	0	0	116.4
524	D	40.1	Very low	41.8	Very low	152 Å²	152	139.6 Å²	139.6	81%	0.813	77%	0.774	S	S	*	*			trans	79.2	141.4	-178.9	-59.1	-39.9	0	0	0	115.4
525	S	42.3	Very low	41.8	Very low	101 Å²	101	138 Å²	138	71%	0.706	77%	0.772	S	S	*	*			cis	-148.1	142.7	10.5	67.7	0	0	0	0	112.2
526	R	41.4	Very low	41.2	Very low	211 Å²	211	137 Å²	137	80%	0.796	77%	0.767	S	S	*	*				47.9	136.5	108.2	-66	-157.7	179	143.2	4.9	118.2
527	D	44.3	Very low	40.9	Very low	133 Å²	133	140.2 Å²	140.2	71%	0.711	78%	0.775	S	S	*	*			cis	-146.4	-176.5	-5.3	-76.3	-39	0	0	0	106.4
528	S	43.6	Very low	40.4	Very low	112 Å²	112	145.2 Å²	145.2	78%	0.783	78%	0.779	S	S	*	*			cis	-156	179.7	20.8	-38.3	0	0	0	0	111.1
529	D	42.2	Very low	40	Very low	159 Å²	159	144.8 Å²	144.8	85%	0.85	78%	0.782	S	S	*	*			trans	-81.8	156.5	-177.4	-44.2	-93.4	0	0	0	116.2
530	D	44.9	Very low	39.8	Very low	161 Å²	161	144.2 Å²	144.2	86%	0.861	78%	0.776	S	S	*	*				-152.5	155.2	117.8	-149.4	-20	0	0	0	110.1
531	S	39.6	Very low	39.2	Very low	86 Å²	86	149.3 Å²	149.3	60%	0.601	79%	0.786	S	S	*	*			trans	-143	138	-153.8	65.7	0	0	0	0	116
532	F	37	Very low	39	Very low	217 Å²	217	149.2 Å²	149.2	95%	0.952	79%	0.792	S	S	*	*			trans	-151.2	104.2	153.8	-87	-66.4	0	0	0	112
533	E	35.2	Very low	38.3	Very low	180 Å²	180	145.4 Å²	145.4	84%	0.841	79%	0.788	S	S	*	*			trans	-91.9	153.7	161.2	-66.8	-168.4	126.9	0	0	111.1
534	H	37.9	Very low	37.6	Very low	178 Å²	178	150 Å²	150	82%	0.824	80%	0.801	S	S	*	*			trans	176.4	95.8	136.6	-95.1	-57.1	0	0	0	107.5
535	S	37.9	Very low	37.1	Very low	95 Å²	95	150.5 Å²	150.5	66%	0.664	80%	0.804	S	S	*	*				80.5	129.9	74.2	74.7	0	0	0	0	113.7
536	D	34.1	Very low	36.6	Very low	145 Å²	145	149.3 Å²	149.3	78%	0.775	81%	0.807	S	S	*	*			trans	-66.1	164.9	-173.5	-46.6	-98.1	0	0	0	114.8
537	F	34.1	Very low	36.1	Very low	207 Å²	207	149.3 Å²	149.3	91%	0.908	81%	0.814	S	S	*	*				178.8	156.1	108.3	-112.6	-89.5	0	0	0	113.7
538	E	32.6	Very low	35.5	Very low	179 Å²	179	146.8 Å²	146.8	84%	0.836	82%	0.819	S	S	*	*			trans	-85.5	141	166.7	-62.2	-175	101.6	0	0	112.5
539	N	32.8	Very low	34.9	Very low	161 Å²	161	146.2 Å²	146.2	86%	0.861	82%	0.821	S	S	*	*				-170	157.4	129.9	-119	-29	0	0	0	112.7
540	P	37.8	Very low	34.5	Very low	99 Å²	99	147 Å²	147	64%	0.643	82%	0.824	S	S	*	*			trans	-120.3	172.6	-174.7	42.2	-32.1	0	0	0	116.4
541	K	32.7	Very low	33.8	Very low	203 Å²	203	142.9 Å²	142.9	88%	0.883	82%	0.82	S	S	*	*			trans	94.1	141.5	156.2	-63.1	178.5	176.4	173.9	0	121.1
542	A	33.7	Very low	33.3	Very low	105 Å²	105	143.3 Å²	143.3	87%	0.868	83%	0.829	S	S	*	*			trans	92.7	127.4	141.7	0	0	0	0	0	121.1
543	G	31.6	Very low	33.1	Very low	72 Å²	72	142.1 Å²	142.1	74%	0.742	83%	0.828	S	S	*	*			trans	81.4	148.5	159	0	0	0	0	0	117
544	E	33.2	Very low	32.8	Very low	195 Å²	195	141.9 Å²	141.9	91%	0.911	83%	0.827	S	S	*	*			cis	-150.2	178.3	-14.5	-84.6	-165.6	120.5	0	0	109.3
545	D	30.2	Very low	32.4	Very low	161 Å²	161	141.1 Å²	141.1	86%	0.861	83%	0.827	S	S	*	*			trans	-60.6	154.1	-172.9	-62.8	-68.5	0	0	0	117
546	G	32.4	Very low	32	Very low	76 Å²	76	144.1 Å²	144.1	78%	0.784	83%	0.829	S	S	*	*			trans	-166.6	42.8	-176	0	0	0	0	0	119.6
547	F	30.3	Very low	31.7	Very low	212 Å²	212	143.4 Å²	143.4	93%	0.93	83%	0.829	S	S	*	*			trans	13.4	114.2	163.6	-90.1	-98.3	0	0	0	120.3
548	G	31.5	Very low	31.5	Very low	79 Å²	79	138.9 Å²	138.9	81%	0.814	81%	0.811	S	S	*	*			trans	-155.4	62.7	172.8	0	0	0	0	0	114.9	L550	G548-L550 PolarHBondContact O-N 3.23Å
549	A	31.3	Very low	31.2	Very low	100 Å²	100	140.5 Å²	140.5	83%	0.826	81%	0.809	S	S	*	*			trans	-79.1	114.1	-173	0	0	0	0	0	114.2
550	L	33.1	Very low	30.9	Very low	177 Å²	177	143 Å²	143	93%	0.927	81%	0.808	S	S	*	*			trans	-121.6	122.6	158.9	-72	177	0	0	0	109.3	G548	G548-L550 PolarHBondContact O-N 3.23Å
551	G	30.6	Very low	30.6	Very low	74 Å²	74	143.1 Å²	143.1	76%	0.763	81%	0.807	S	S	*	*			trans	-92.6	160.4	-166.7	0	0	0	0	0	115.1	M553	G551-M553 PolarHBondContact O-N 2.74Å
552	A	29.8	Very low	30.3	Very low	95 Å²	95	141.7 Å²	141.7	79%	0.785	80%	0.803	S	S	*	*			trans	13.2	92.9	159.4	0	0	0	0	0	117.2	Q554	A552-Q554 VanDerWaalsContact C-N 3.33Å; A552-Q554 PolarHBondContact O-N 2.97Å
553	M	32	Very low	30.2	Very low	192 Å²	192	141.9 Å²	141.9	95%	0.946	80%	0.798	S	S	*	*			trans	-64.4	96.5	154.8	-83.1	-170.2	164	0	0	109.1	G551 I555	G551-M553 PolarHBondContact O-N 2.74Å; M553-I555 PolarHBondContact O-N 3.08Å
554	Q	28.6	Very low	30	Very low	175 Å²	175	147.7 Å²	147.7	82%	0.818	81%	0.806	S	S	*	*			trans	-65.1	123.6	165.3	-68.5	-169.2	-12.4	0	0	108.6	A552 K556	A552-Q554 VanDerWaalsContact C-N 3.33Å; A552-Q554 PolarHBondContact O-N 2.97Å; Q554-K556 PolarHBondContact O-N 3.47Å
555	I	30	Very low	30	Very low	162 Å²	162	143.4 Å²	143.4	83%	0.831	80%	0.798	S	S	*	*			trans	-64.7	102.9	164.4	-63.6	177.9	0	0	0	106.7	M553 V557	M553-I555 PolarHBondContact O-N 3.08Å; I555-V557 PolarHBondContact O-N 2.92Å
556	K	28.7	Very low	30	Very low	158 Å²	158	143.6 Å²	143.6	69%	0.687	80%	0.798	S	S	*	*			trans	-64.9	104.9	178.4	-174.6	-171.1	-178.2	-167.2	0	108.3	Q554 E558	Q554-K556 PolarHBondContact O-N 3.47Å; K556-E558 HydrophobicContact CD-CG 3.71Å; K556-E558 WeakPolarHBondContact CE-OE1 3.42Å; K556-E558 HydrophobicContact CG-CG 3.87Å; K556-E558 IonicContact NZ-OE1 3.12Å; K556-E558 PolarHBondContact NZ-OE1 3.13Å; K556-E558 PolarHBondContact O-N 3.42Å
557	V	28.6	Very low	30.1	Very low	129 Å²	129	147.8 Å²	147.8	78%	0.782	80%	0.802	S	S	*	*			trans	-68.9	89.3	167.7	179.9	0	0	0	0	107.6	I555 R559	I555-V557 PolarHBondContact O-N 2.92Å; V557-R559 PolarHBondContact O-N 3.35Å
558	E	28.8	Very low	30.1	Very low	112 Å²	112	148.9 Å²	148.9	52%	0.523	80%	0.8	S	S	.	*			trans	-70.1	99.2	170.7	-65.8	-156.7	139.3	0	0	109	K556 Y560	K556-E558 HydrophobicContact CD-CG 3.71Å; K556-E558 WeakPolarHBondContact CE-OE1 3.42Å; K556-E558 HydrophobicContact CG-CG 3.87Å; K556-E558 IonicContact NZ-OE1 3.12Å; K556-E558 PolarHBondContact NZ-OE1 3.13Å; K556-E558 PolarHBondContact O-N 3.42Å; E558-Y560 PolarHBondContact O-N 3.37Å; E558-Y560 VanDerWaalsContact O-N 3.08Å
559	R	27.2	Very low	29.9	Very low	214 Å²	214	153.3 Å²	153.3	81%	0.808	80%	0.804	S	S	*	*			trans	-61.9	107.8	156.8	-74	-175.2	175.2	-166.4	-2.1	107.7	V557 V561	V557-R559 PolarHBondContact O-N 3.35Å; R559-V561 HydrophobicContact CB-CG2 4.28Å; R559-V561 PolarHBondContact O-N 2.79Å; R559-V561 VanDerWaalsContact O-N 3.08Å
560	Y	27.5	Very low	30	Very low	214 Å²	214	158 Å²	158	84%	0.839	81%	0.809	S	S	*	*			trans	-62.9	105.9	149.8	-85	-99.6	0	0	0	107	E558	E558-Y560 PolarHBondContact O-N 3.37Å; E558-Y560 VanDerWaalsContact O-N 3.08Å
561	V	30.7	Very low	29.8	Very low	101 Å²	101	155.7 Å²	155.7	61%	0.612	80%	0.797	S	S	*	*			trans	-84.7	146.3	165.6	174.3	0	0	0	0	106.9	R559 S563	R559-V561 HydrophobicContact CB-CG2 4.28Å; R559-V561 PolarHBondContact O-N 2.79Å; R559-V561 VanDerWaalsContact O-N 3.08Å; V561-S563 PolarHBondContact O-N 3.28Å
562	E	27.3	Very low	29.9	Very low	172 Å²	172	157.8 Å²	157.8	80%	0.804	80%	0.799	S	S	*	*			trans	-53.1	136.8	179.7	-64.2	118.2	139.4	0	0	111.9
563	S	30.1	Very low	30	Very low	109 Å²	109	160.9 Å²	160.9	76%	0.762	80%	0.797	S	S	*	*			trans	-129.9	83.6	165.4	-67.6	0	0	0	0	107.4	V561 S565	V561-S563 PolarHBondContact O-N 3.28Å; S563-S565 PolarHBondContact O-N 3.48Å
564	E	28.6	Very low	30.1	Very low	194 Å²	194	156.8 Å²	156.8	91%	0.907	79%	0.788	S	S	*	*			trans	-58.5	126.6	167.1	-64.7	-179.2	121.1	0	0	108.6
565	S	33.2	Very low	30.4	Very low	106 Å²	106	156.4 Å²	156.4	74%	0.741	79%	0.79	S	S	*	*			trans	-140.9	94.7	174.1	46.9	0	0	0	0	110.1	S563 L567	S563-S565 PolarHBondContact O-N 3.48Å; S565-L567 PolarHBondContact O-N 2.81Å
566	D	28.9	Very low	30.6	Very low	164 Å²	164	154.2 Å²	154.2	88%	0.877	78%	0.784	S	S	*	*			trans	-56.3	113.8	170.5	-81.9	-57	0	0	0	111.2
567	L	34.5	Very low	31	Very low	164 Å²	164	151.5 Å²	151.5	86%	0.859	79%	0.785	S	S	*	*			trans	-134.9	84.6	159.4	-79	-176.8	0	0	0	111.9	S565	S565-L567 PolarHBondContact O-N 2.81Å
568	R	30.6	Very low	31.6	Very low	236 Å²	236	152.9 Å²	152.9	89%	0.891	79%	0.789	S	S	*	*			trans	30.4	115.2	141.9	-75.8	-177.8	156.3	173.1	-7.3	119.2
569	L	28.3	Very low	31.9	Very low	172 Å²	172	152.6 Å²	152.6	90%	0.901	80%	0.799	S	S	*	*			trans	-28.5	135.2	148.3	-63.3	160.4	0	0	0	114.9
570	Q	33.2	Very low	32.8	Very low	198 Å²	198	146.9 Å²	146.9	93%	0.925	80%	0.798	S	S	*	*			trans	-126.2	169.8	144.5	-80.1	-165.3	-11.3	0	0	109.8
571	N	29.3	Very low	33.4	Very low	128 Å²	128	146 Å²	146	68%	0.684	80%	0.798	S	S	*	*			trans	-128	142.4	-149.8	179.3	60.6	0	0	0	113.2
572	C	32.6	Very low	34.1	Very low	119 Å²	119	149.2 Å²	149.2	80%	0.804	81%	0.812	S	S	*	*			trans	-171	92.8	157.7	-97.4	0	0	0	0	106.7
573	E	31.1	Very low	34.6	Very low	160 Å²	160	146.3 Å²	146.3	75%	0.748	81%	0.81	S	S	*	*				69.5	100.6	84.4	-69.9	-163.3	145.5	0	0	115.8
574	S	34.1	Very low	35.1	Very low	106 Å²	106	148.5 Å²	148.5	74%	0.741	81%	0.814	S	S	*	*				-173.2	121.5	127	63.7	0	0	0	0	112.3
575	L	35.6	Very low	35.7	Very low	167 Å²	167	143.9 Å²	143.9	87%	0.874	80%	0.803	S	S	*	*			trans	56.2	130.9	137.6	-54.2	177.2	0	0	0	119.6
576	T	34.8	Very low	36	Very low	115 Å²	115	144.2 Å²	144.2	71%	0.706	81%	0.812	S	S	*	*			cis	-148.7	145.4	7.5	51.9	0	0	0	0	113.2
577	S	35.3	Very low	36.4	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	81%	0.806	S	S	*	*			trans	14	131.2	149.2	60.1	0	0	0	0	122.4
578	D	41.3	Very low	36.5	Very low	159 Å²	159	141.9 Å²	141.9	85%	0.85	81%	0.811	S	S	*	*				-155.2	172.3	96	-141.5	-26.5	0	0	0	112.5
579	S	36.4	Very low	36.7	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	81%	0.81	S	S	*	*			trans	-135.5	126.3	-150.1	-45.7	0	0	0	0	118.4
580	A	46.6	Very low	37.1	Very low	95 Å²	95	131.4 Å²	131.4	79%	0.785	81%	0.807	S	S	*	*			trans	-167.8	118.3	147.7	0	0	0	0	0	107.9
581	K	39.3	Very low	37.3	Very low	196 Å²	196	126.5 Å²	126.5	85%	0.852	80%	0.8	S	S	*	*				58.3	103	62.5	-73.5	-166.1	174	-175.4	0	114.9
582	D	44.9	Very low	37.6	Very low	168 Å²	168	129.7 Å²	129.7	90%	0.898	81%	0.811	S	S	*	*				-157	169.9	103.3	-92.8	-24.9	0	0	0	110.4
583	S	38.1	Very low	37.7	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	81%	0.809	S	S	*	*			trans	-141.3	147.3	-165.8	-58.4	0	0	0	0	112.6
584	D	40.5	Very low	38.1	Very low	156 Å²	156	126.3 Å²	126.3	83%	0.834	81%	0.812	S	S	*	*			trans	171.7	162.5	144.8	-96	-24.9	0	0	0	111.5
585	S	40.4	Very low	38.4	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	82%	0.816	S	S	*	*			cis	-174.9	146.2	-37.7	-99.5	0	0	0	0	109.8
586	A	40	Very low	38.4	Very low	113 Å²	113	128.1 Å²	128.1	93%	0.934	82%	0.815	S	S	*	*			trans	60.8	165.6	179.6	0	0	0	0	0	115.6
587	G	36.9	Very low	38.5	Very low	72 Å²	72	130.6 Å²	130.6	74%	0.742	82%	0.818	S	S	*	*			cis	141	138.5	6.6	0	0	0	0	0	107.4
588	E	37.7	Very low	38.6	Very low	206 Å²	206	134 Å²	134	96%	0.963	82%	0.823	S	S	*	*			cis	-143.7	-162.8	25.3	-63.6	-178	94	0	0	112.3
589	A	35.3	Very low	38.5	Very low	107 Å²	107	134.2 Å²	134.2	88%	0.884	82%	0.816	S	S	*	*			trans	-115.5	156.1	-178.5	0	0	0	0	0	114.3
590	G	36.5	Very low	38.6	Very low	81 Å²	81	140 Å²	140	84%	0.835	82%	0.822	S	S	*	*			trans	-161.3	150.2	173.6	0	0	0	0	0	111.6
591	A	35.9	Very low	38.4	Very low	95 Å²	95	144.5 Å²	144.5	79%	0.785	82%	0.824	S	S	*	*			trans	-137.1	154.3	-154.4	0	0	0	0	0	117.9
592	Q	35.5	Very low	38.3	Very low	195 Å²	195	144.6 Å²	144.6	91%	0.911	82%	0.824	S	S	*	*			trans	57.2	114.1	149.2	-70.8	-178.7	-3.3	0	0	123.1
593	A	35.9	Very low	38.1	Very low	91 Å²	91	148.6 Å²	148.6	75%	0.752	83%	0.826	S	S	*	*			trans	-170.1	127.1	131.9	0	0	0	0	0	108
594	S	39.5	Very low	38	Very low	118 Å²	118	154.6 Å²	154.6	83%	0.825	83%	0.832	S	S	*	*				61.5	134.7	64.6	111.5	0	0	0	0	113.8
595	S	39.3	Very low	38.3	Very low	118 Å²	118	157.2 Å²	157.2	83%	0.825	84%	0.836	S	S	*	*			cis	-155.8	-173.9	13.5	65.9	0	0	0	0	113.6
596	K	35.9	Very low	38.1	Very low	192 Å²	192	162.9 Å²	162.9	84%	0.835	84%	0.843	S	S	*	*			trans	-113.6	151.6	-175.6	-56.6	171.2	179.9	173.6	0	112.9
597	H	37.6	Very low	38.1	Very low	167 Å²	167	165.4 Å²	165.4	77%	0.773	84%	0.835	S	S	*	*			trans	-160.2	158.3	145.5	-122.8	69.6	0	0	0	118.5	K599	H597-K599 PolarHBondContact NE2-NZ 3.38Å
598	Q	37.9	Very low	38.1	Very low	174 Å²	174	171.2 Å²	171.2	81%	0.813	84%	0.84	S	S	*	*			trans	-123.8	163.9	176.1	-60.7	173.3	-28.2	0	0	111.7
599	K	37.4	Very low	37.7	Very low	162 Å²	162	165.3 Å²	165.3	70%	0.704	84%	0.835	S	S	*	*			trans	154.4	160	151.6	-86.9	146.7	-160.5	157.3	0	109.4	H597	H597-K599 PolarHBondContact NE2-NZ 3.38Å
600	R	38.5	Very low	37.8	Very low	226 Å²	226	164.2 Å²	164.2	85%	0.853	83%	0.834	S	S	*	*			cis	-145.9	-160.5	6	-106.1	145.9	175.8	173.2	-3.4	105.8
601	K	43.2	Very low	37.7	Very low	191 Å²	191	166.2 Å²	166.2	83%	0.83	84%	0.835	S	S	*	*			cis	-162.2	94.6	3.7	-140.2	-178.9	-174.8	-180	0	108.2
602	K	37.4	Very low	38	Very low	198 Å²	198	166.5 Å²	166.5	86%	0.861	84%	0.838	S	S	*	*				48	116.9	101.1	-170.2	178.7	-175.6	176.4	0	118.7
603	R	39.6	Very low	38.1	Very low	251 Å²	251	162.1 Å²	162.1	95%	0.947	83%	0.828	S	S	*	*			trans	-157.9	160.3	143.2	-115.2	172.6	92.5	153.1	-0	113.1
604	R	37.8	Very low	38.2	Very low	236 Å²	236	168.7 Å²	168.7	89%	0.891	83%	0.834	S	S	*	*			trans	-130.6	155.8	-176.8	-78.3	171.1	151	-177.8	-6.2	110.3
605	K	46.8	Very low	38.1	Very low	211 Å²	211	173.7 Å²	173.7	92%	0.917	84%	0.835	S	S	*	*				-159.2	164.8	129.4	-150.1	168.8	178	-177.3	0	110.7
606	R	36.4	Very low	37.8	Very low	217 Å²	217	178.3 Å²	178.3	82%	0.819	83%	0.834	S	S	*	*			trans	-116.5	173.1	178	-62	171.8	82.4	-169.2	9.4	110.3
607	Q	39.2	Very low	38	Very low	166 Å²	166	175.4 Å²	175.4	78%	0.776	83%	0.827	S	S	*	*			trans	106	127	130.6	-119.1	179.9	-11.5	0	0	120.3
608	K	36.5	Very low	37.9	Very low	193 Å²	193	172 Å²	172	84%	0.839	82%	0.822	S	S	*	*			trans	83.9	98.6	133.3	-150.9	178.5	-173.8	-174.8	0	120.5
609	G	30.1	Very low	37.8	Very low	83 Å²	83	169 Å²	169	86%	0.856	82%	0.82	S	S	*	*				77	133.5	120.8	0	0	0	0	0	120.1
610	G	36.9	Very low	37.7	Very low	84 Å²	84	165.7 Å²	165.7	87%	0.866	82%	0.823	S	S	*	*			trans	-174.5	143.4	168.5	0	0	0	0	0	110.2
611	S	35	Very low	37.7	Very low	123 Å²	123	160 Å²	160	86%	0.86	82%	0.817	S	S	*	*			trans	-125.4	147	-176.8	-177.5	0	0	0	0	111
612	A	40.8	Very low	37.3	Very low	101 Å²	101	156.3 Å²	156.3	84%	0.835	82%	0.816	S	S	*	*			trans	-134.1	148.3	166.9	0	0	0	0	0	108.4
613	S	37.4	Very low	37.5	Very low	103 Å²	103	152.8 Å²	152.8	72%	0.72	81%	0.813	S	S	*	*			trans	-143.8	138.5	-159.2	175.4	0	0	0	0	114
614	R	38.3	Very low	37.4	Very low	228 Å²	228	144.9 Å²	144.9	86%	0.86	81%	0.809	S	S	*	*			trans	-164	116.3	142	-108.3	165.7	-130.6	-146.1	2.4	112.5
615	R	37.2	Very low	37.2	Very low	224 Å²	224	137.3 Å²	137.3	85%	0.845	81%	0.805	S	S	*	*				38.3	136.5	124.7	-58.5	177.9	-171.7	-175.6	1.4	118
616	R	35	Very low	36.8	Very low	215 Å²	215	135.4 Å²	135.4	81%	0.811	80%	0.804	S	S	*	*			cis	-165.2	147.4	16	-129.3	-174.3	174	-171.8	-3	111.7
617	L	38.7	Very low	36.7	Very low	131 Å²	131	132.6 Å²	132.6	69%	0.686	81%	0.805	S	S	*	*			trans	38.1	114.4	139.1	-64.4	172.4	0	0	0	119.3
618	S	36.3	Very low	36.5	Very low	96 Å²	96	128.7 Å²	128.7	67%	0.671	80%	0.801	S	S	*	*				71.1	142.5	74.9	77.4	0	0	0	0	114.9
619	S	34.8	Very low	36.3	Very low	110 Å²	110	123.2 Å²	123.2	77%	0.769	80%	0.799	S	S	*	*			cis	175.7	158.3	-7.9	46.5	0	0	0	0	110.3
620	A	36.9	Very low	36.5	Very low	92 Å²	92	127.7 Å²	127.7	76%	0.76	80%	0.803	S	S	*	*			trans	88.5	140.8	156.6	0	0	0	0	0	122.5
621	S	37.2	Very low	36.2	Very low	106 Å²	106	130 Å²	130	74%	0.741	80%	0.8	S	S	*	*			trans	58.7	107.4	150.4	56.8	0	0	0	0	123.3
622	S	35.3	Very low	36.1	Very low	114 Å²	114	132.9 Å²	132.9	80%	0.797	80%	0.8	S	S	*	*				38.7	157.2	109.1	-47.4	0	0	0	0	122.6
623	P	42.3	Very low	35.6	Very low	125 Å²	125	133.4 Å²	133.4	81%	0.812	80%	0.795	S	S	*	*			cis	-141.7	168.5	-36.2	39.2	-22.5	0	0	0	115.7
624	G	36	Very low	35.5	Very low	84 Å²	84	134.1 Å²	134.1	87%	0.866	80%	0.797	S	S	*	*			trans	88.7	158.3	154	0	0	0	0	0	118.4
625	G	33.9	Very low	35	Very low	77 Å²	77	133.6 Å²	133.6	79%	0.794	80%	0.795	S	S	*	*			trans	132.3	70.1	166.4	0	0	0	0	0	119.2
626	L	37.8	Very low	34.6	Very low	171 Å²	171	130 Å²	130	90%	0.895	79%	0.791	S	S	*	*			trans	40.4	114.6	140	-62.1	174.7	0	0	0	122.7
627	D	34.7	Very low	34.5	Very low	158 Å²	158	128.1 Å²	128.1	85%	0.845	80%	0.797	S	S	*	*				93.1	159.9	114.9	-155.9	28.4	0	0	0	123
628	A	36.3	Very low	34.1	Very low	84 Å²	84	126.8 Å²	126.8	69%	0.694	80%	0.798	S	S	*	*			trans	67.1	79.8	160	0	0	0	0	0	119.4
629	G	31.5	Very low	34	Very low	78 Å²	78	128 Å²	128	80%	0.804	81%	0.806	S	S	*	*			trans	-77.6	-173.7	171.2	0	0	0	0	0	117.3
630	L	33.4	Very low	34.1	Very low	177 Å²	177	128.3 Å²	128.3	93%	0.927	81%	0.806	S	S	*	*			trans	-156.7	159	157.6	-112.3	164.4	0	0	0	109.3
631	V	31.9	Very low	34	Very low	133 Å²	133	131.8 Å²	131.8	81%	0.806	81%	0.812	S	S	*	*			trans	-126.9	125	-166.8	171	0	0	0	0	111.2
632	E	31.5	Very low	33.8	Very low	184 Å²	184	132.8 Å²	132.8	86%	0.86	82%	0.819	S	S	*	*			trans	-153.1	138.6	151.6	-159.5	165.8	-166.7	0	0	110.7
633	P	31.7	Very low	33.9	Very low	112 Å²	112	131.3 Å²	131.3	73%	0.727	81%	0.814	S	S	*	*			trans	-106	157.1	-170.2	38.7	-34.5	0	0	0	115
634	P	34.1	Very low	33.4	Very low	117 Å²	117	131.3 Å²	131.3	76%	0.76	82%	0.817	S	S	*	*			trans	-138.1	127.8	149.2	34.5	-18.8	0	0	0	116.4
635	R	29.4	Very low	33.3	Very low	218 Å²	218	133.2 Å²	133.2	82%	0.823	81%	0.811	S	S	*	*				47.1	113.2	129.9	-64	-80.8	174.9	157.4	-5.3	120.9
636	L	28.4	Very low	33.3	Very low	147 Å²	147	137.1 Å²	137.1	77%	0.77	81%	0.813	S	S	*	*			trans	66.7	119.2	130.3	-57.4	172.5	0	0	0	120.8
637	L	32.6	Very low	33.1	Very low	177 Å²	177	138.3 Å²	138.3	93%	0.927	81%	0.811	S	S	*	*				-162.5	172.1	116.7	-105.9	164.3	0	0	0	110.8
638	S	30.8	Very low	33.2	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	81%	0.809	S	S	*	*			trans	-133.4	147	-153	57	0	0	0	0	116.3
639	S	33.5	Very low	32.9	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	81%	0.809	S	S	*	*			trans	-154.3	158.3	154.5	-85.4	0	0	0	0	111.4
640	P	36	Very low	32.9	Very low	117 Å²	117	144.2 Å²	144.2	76%	0.76	81%	0.808	S	S	*	*			trans	-108.1	153.2	-144.2	38.4	-34.5	0	0	0	116.4
641	N	35.6	Very low	32.9	Very low	165 Å²	165	142.3 Å²	142.3	88%	0.882	80%	0.795	S	S	*	*			trans	-113.3	130.8	157.1	-101.9	-11.9	0	0	0	109	A643	N641-A643 PolarHBondContact O-N 3.08Å
642	S	34.2	Very low	32.8	Very low	127 Å²	127	144 Å²	144	89%	0.888	80%	0.797	S	S	*	*			trans	-83.2	107.7	178.7	-66.6	0	0	0	0	111.7
643	A	35.7	Very low	32.9	Very low	83 Å²	83	140.6 Å²	140.6	69%	0.686	79%	0.794	S	S	*	*			trans	-128.4	107.3	164.1	0	0	0	0	0	108.9	N641 V645	N641-A643 PolarHBondContact O-N 3.08Å; A643-V645 VanDerWaalsContact C-N 3.27Å; A643-V645 PolarHBondContact O-N 2.78Å
644	S	32.1	Very low	32.9	Very low	125 Å²	125	143.7 Å²	143.7	87%	0.874	80%	0.798	S	S	*	*			trans	-78.6	65.3	-170.3	-56.2	0	0	0	0	113.2	L646	S644-L646 PolarHBondContact O-N 2.96Å
645	V	34.4	Very low	32.8	Very low	125 Å²	125	144.2 Å²	144.2	76%	0.758	80%	0.802	S	S	*	*			trans	-75.2	108.7	172.3	-179.3	0	0	0	0	109.3	A643 K647	A643-V645 VanDerWaalsContact C-N 3.27Å; A643-V645 PolarHBondContact O-N 2.78Å; V645-K647 PolarHBondContact O-N 3.21Å
646	L	34	Very low	33.1	Very low	158 Å²	158	141.2 Å²	141.2	83%	0.827	80%	0.801	S	S	*	*			trans	-65.7	103.8	173.1	-76.4	172.5	0	0	0	110.2	S644 I648	S644-L646 PolarHBondContact O-N 2.96Å; L646-I648 PolarHBondContact O-N 2.9Å
647	K	32.6	Very low	33.1	Very low	197 Å²	197	140.4 Å²	140.4	86%	0.857	80%	0.797	S	S	*	*			trans	-89.1	93.7	179.7	-169.1	173.9	-173.9	175.7	0	109.5	V645 K649	V645-K647 PolarHBondContact O-N 3.21Å; K647-K649 PolarHBondContact O-N 3.02Å; K647-K649 VanDerWaalsContact O-N 3.1Å
648	I	36.6	Very low	33.1	Very low	158 Å²	158	140.8 Å²	140.8	81%	0.81	79%	0.792	S	S	*	*			trans	-59	115.7	176	-58.6	179.6	0	0	0	108.7	L646	L646-I648 PolarHBondContact O-N 2.9Å
649	K	31.1	Very low	33.4	Very low	156 Å²	156	142.9 Å²	142.9	68%	0.678	80%	0.795	S	S	*	*			trans	-89.5	113.1	171.6	-177.1	-169	179.1	-166.5	0	107.5	K647 E651	K647-K649 PolarHBondContact O-N 3.02Å; K647-K649 VanDerWaalsContact O-N 3.1Å; K649-E651 HydrophobicContact CD-CG 3.97Å; K649-E651 VanDerWaalsContact CE-OE1 3.29Å; K649-E651 WeakPolarHBondContact CE-OE1 3.39Å; K649-E651 HydrophobicContact CG-CG 4.2Å; K649-E651 IonicContact NZ-OE1 2.68Å; K649-E651 PolarHBondContact NZ-OE1 2.89Å; K649-E651 PolarHBondContact O-N 3.18Å
650	T	32.1	Very low	33.2	Very low	130 Å²	130	144.8 Å²	144.8	80%	0.798	80%	0.796	S	S	*	*			trans	-67.6	111.2	165.9	48.4	0	0	0	0	108.7
651	E	33.3	Very low	33	Very low	137 Å²	137	146.2 Å²	146.2	64%	0.64	80%	0.797	S	S	*	*			trans	-95.9	145.2	164.8	-66.6	-165	147.9	0	0	109.8	K649	K649-E651 HydrophobicContact CD-CG 3.97Å; K649-E651 VanDerWaalsContact CE-OE1 3.29Å; K649-E651 WeakPolarHBondContact CE-OE1 3.39Å; K649-E651 HydrophobicContact CG-CG 4.2Å; K649-E651 IonicContact NZ-OE1 2.68Å; K649-E651 PolarHBondContact NZ-OE1 2.89Å; K649-E651 PolarHBondContact O-N 3.18Å
652	I	29	Very low	32.9	Very low	168 Å²	168	143.5 Å²	143.5	86%	0.862	79%	0.791	S	S	*	*			trans	-85.5	136.6	179.6	-70.4	166.5	0	0	0	107.8
653	S	34.2	Very low	32.7	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	79%	0.786	S	S	*	*			trans	-138.1	138.8	173.1	-64.1	0	0	0	0	109
654	E	30.9	Very low	32.5	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	79%	0.789	S	S	*	*			trans	-80.8	150.6	-167.8	-60.3	-179.9	143.7	0	0	112.4	I656	E654-I656 PolarHBondContact O-N 2.99Å
655	P	32.2	Very low	32.6	Very low	128 Å²	128	151 Å²	151	83%	0.831	79%	0.79	S	S	*	*			trans	-76.8	115.7	177.8	30.6	-33.1	0	0	0	111.2
656	I	35.3	Very low	32.3	Very low	155 Å²	155	151.9 Å²	151.9	80%	0.795	79%	0.79	S	S	*	*			trans	-80.7	121.3	169.2	-61.9	177.9	0	0	0	108.8	E654 F658	E654-I656 PolarHBondContact O-N 2.99Å; I656-F658 HydrophobicContact CG2-CD2 4.2Å; I656-F658 HydrophobicContact CG2-CE2 4.46Å
657	N	28	Very low	32.2	Very low	130 Å²	130	153.9 Å²	153.9	70%	0.695	79%	0.788	S	S	*	*			trans	-83.3	135.5	178.7	-175.5	42.7	0	0	0	111.3
658	F	34	Very low	32.2	Very low	186 Å²	186	150.2 Å²	150.2	82%	0.816	78%	0.784	S	S	*	*			trans	-150.4	137	164.4	-101.6	-72.8	0	0	0	111.4	I656	I656-F658 HydrophobicContact CG2-CD2 4.2Å; I656-F658 HydrophobicContact CG2-CE2 4.46Å
659	D	35.5	Very low	32.3	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	78%	0.778	S	S	*	*			trans	-71.5	155	-173.2	-63.6	-84.2	0	0	0	114.2
660	N	29.4	Very low	32.5	Very low	161 Å²	161	146.9 Å²	146.9	86%	0.861	78%	0.781	S	S	*	*			trans	-104.9	110.6	179.4	168.3	56.7	0	0	0	110.3
661	D	32.5	Very low	32.6	Very low	147 Å²	147	150.7 Å²	150.7	79%	0.786	78%	0.781	S	S	*	*			trans	-154.5	161.7	169.6	-143.8	-24.6	0	0	0	113
662	S	33.9	Very low	32.4	Very low	107 Å²	107	153.1 Å²	153.1	75%	0.748	79%	0.792	S	S	*	*			trans	64.2	89.4	173.7	-61.8	0	0	0	0	117.9
663	S	29.5	Very low	32.8	Very low	114 Å²	114	152.9 Å²	152.9	80%	0.797	79%	0.791	S	S	*	*			trans	-64.4	145	154	53.7	0	0	0	0	111.7
664	I	31.6	Very low	32.6	Very low	145 Å²	145	152.7 Å²	152.7	74%	0.744	79%	0.789	S	S	*	*			trans	-167.9	144.3	161.5	-113.6	155.8	0	0	0	114.4
665	W	33.3	Very low	32.9	Very low	235 Å²	235	155.6 Å²	155.6	89%	0.89	79%	0.793	S	S	*	*			trans	67.3	134.6	171.2	-61.9	133.3	0	0	0	123.2
666	N	30	Very low	32.8	Very low	143 Å²	143	156.9 Å²	156.9	77%	0.765	79%	0.793	S	S	*	*			trans	-110.9	160.7	170	-96.3	-67.4	0	0	0	110.4
667	Y	30.6	Very low	32.8	Very low	200 Å²	200	159 Å²	159	78%	0.784	80%	0.799	S	S	*	*			trans	16.6	139.4	148	-83.3	-77.7	0	0	0	120.9
668	P	34	Very low	33.2	Very low	119 Å²	119	157.9 Å²	157.9	77%	0.773	80%	0.801	S	S	*	*				-149.2	169.2	74.2	39.3	-21	0	0	0	117.4
669	P	37.9	Very low	33.3	Very low	104 Å²	104	155.1 Å²	155.1	68%	0.675	80%	0.803	S	S	*	*			trans	-93.9	148.9	178.8	36.6	-33.9	0	0	0	114.6
670	N	34.5	Very low	33.2	Very low	140 Å²	140	159.5 Å²	159.5	75%	0.749	81%	0.81	S	S	*	*			trans	-149.4	124.5	165.5	-100.2	-40.6	0	0	0	107.9
671	R	34.3	Very low	33.4	Very low	210 Å²	210	157.2 Å²	157.2	79%	0.792	81%	0.807	S	S	*	*				86.6	136.6	77.3	-89.8	-167.7	169	168.3	-1.2	113.8
672	E	30.7	Very low	33.3	Very low	189 Å²	189	158.9 Å²	158.9	88%	0.883	81%	0.812	S	S	*	*			trans	-76	142.4	-167.5	-53.7	154.5	123.5	0	0	112.8
673	I	37	Very low	33.4	Very low	163 Å²	163	160.9 Å²	160.9	84%	0.836	82%	0.819	S	S	*	*			trans	-134	115.1	150.4	-61.1	-176.4	0	0	0	107.7
674	S	29.9	Very low	33.7	Very low	107 Å²	107	164.9 Å²	164.9	75%	0.748	82%	0.823	S	S	*	*			trans	-83.9	133.6	176.4	50	0	0	0	0	111.7
675	R	36.6	Very low	33.8	Very low	238 Å²	238	163.6 Å²	163.6	90%	0.898	82%	0.824	S	S	*	*			trans	-139.7	121.6	155.1	-77	-165.1	171.2	161	-0.9	110.1
676	N	30.5	Very low	34.2	Very low	155 Å²	155	158.7 Å²	158.7	83%	0.829	82%	0.822	S	S	*	*			trans	-80.6	136.3	165.8	-61.8	2.3	0	0	0	108.2
677	E	35	Very low	34.4	Very low	200 Å²	200	157 Å²	157	94%	0.935	82%	0.821	S	S	*	*			trans	-156.3	140.5	148.3	-117.8	161.5	-146.4	0	0	109.2
678	S	36.6	Very low	34.5	Very low	106 Å²	106	152.8 Å²	152.8	74%	0.741	82%	0.821	S	S	*	*			trans	-104	148.5	-169	52.8	0	0	0	0	112.2
679	P	36.2	Very low	34.5	Very low	129 Å²	129	155.1 Å²	155.1	84%	0.838	82%	0.822	S	S	*	*			trans	-70.7	154	-173.8	29.2	-35.9	0	0	0	114.1
680	Y	33.6	Very low	34.4	Very low	237 Å²	237	158.3 Å²	158.3	93%	0.929	83%	0.827	S	S	*	*			trans	-72.8	154.2	179.5	-94	-105.7	0	0	0	113.8
681	S	33.3	Very low	34.3	Very low	114 Å²	114	160.1 Å²	160.1	80%	0.797	83%	0.829	S	S	*	*			trans	-113	157.5	167.5	-169.8	0	0	0	0	111.5
682	M	30.5	Very low	34.5	Very low	181 Å²	181	155.9 Å²	155.9	89%	0.892	83%	0.829	S	S	*	*			trans	-86.3	145.6	-169.3	-64.4	-169.6	-65.2	0	0	114.9
683	T	36.7	Very low	34.6	Very low	149 Å²	149	151.6 Å²	151.6	91%	0.914	82%	0.819	S	S	*	*			trans	-141.6	158.5	149.3	23.4	0	0	0	0	112.3
684	K	34	Very low	34.8	Very low	199 Å²	199	148.9 Å²	148.9	87%	0.865	81%	0.812	S	S	*	*			trans	-78.5	158	-159.9	-63.2	168.7	179.3	171.9	0	115.3
685	P	35.3	Very low	35.1	Very low	118 Å²	118	153 Å²	153	77%	0.766	82%	0.82	S	S	*	*			trans	-90.2	160.3	169.5	37.5	-35.8	0	0	0	113.8
686	P	41.4	Very low	35	Very low	132 Å²	132	145.3 Å²	145.3	86%	0.857	82%	0.815	S	S	*	*			trans	-95.9	174.4	157.6	37.5	-31	0	0	0	112.3
687	S	32.8	Very low	35.2	Very low	107 Å²	107	142.1 Å²	142.1	75%	0.748	82%	0.819	S	S	*	*			trans	-122.6	172.7	-170.1	56.1	0	0	0	0	113.8
688	S	34.5	Very low	35.2	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	81%	0.813	S	S	*	*			trans	74.7	151.4	166.4	82.6	0	0	0	0	114.9
689	E	34	Very low	35.1	Very low	169 Å²	169	135.5 Å²	135.5	79%	0.79	82%	0.821	S	S	*	*			cis	-143.5	133.9	10.9	-92.1	-151	139.8	0	0	110
690	H	34.6	Very low	35.1	Very low	171 Å²	171	133.2 Å²	133.2	79%	0.792	82%	0.821	S	S	*	*				109.5	147.9	96.5	-163.4	103.7	0	0	0	112.6
691	F	31.6	Very low	35.2	Very low	178 Å²	178	126.1 Å²	126.1	78%	0.781	82%	0.819	S	S	*	*			trans	-93.2	158.3	-175.1	-102.1	-93	0	0	0	112.2
692	P	40	Very low	35.3	Very low	121 Å²	121	124.5 Å²	124.5	79%	0.786	82%	0.82	S	S	*	*				-146.9	156.8	113.2	36.5	-21.2	0	0	0	116.4
693	S	33.4	Very low	35.6	Very low	98 Å²	98	120 Å²	120	69%	0.685	82%	0.821	S	S	*	*			trans	-107.1	174.2	153.7	-42.1	0	0	0	0	107.3
694	P	39.8	Very low	35.5	Very low	107 Å²	107	116.7 Å²	116.7	70%	0.695	82%	0.816	S	S	*	*			cis	-150.7	-158.5	32.8	37.5	-11.2	0	0	0	116
695	Q	37.3	Very low	35.5	Very low	193 Å²	193	111.3 Å²	111.3	90%	0.902	82%	0.817	S	S	*	*			trans	73.5	147.7	168	-58.5	175.3	17.6	0	0	117.3
696	G	33	Very low	35.3	Very low	77 Å²	77	109.2 Å²	109.2	79%	0.794	82%	0.817	S	S	*	*			cis	167.6	136.4	-11.3	0	0	0	0	0	115
697	G	35	Very low	35	Very low	88 Å²	88	111.9 Å²	111.9	91%	0.907	82%	0.823	S	S	*	*			trans	90.1	150.1	173.5	0	0	0	0	0	115.7
698	G	34.7	Very low	34.8	Very low	80 Å²	80	114.7 Å²	114.7	83%	0.825	82%	0.824	S	S	*	*			cis	172.5	140.8	-9.7	0	0	0	0	0	114.4
699	G	35.6	Very low	34.8	Very low	87 Å²	87	115.7 Å²	115.7	90%	0.897	83%	0.825	S	S	*	*			trans	89.8	143.1	172.8	0	0	0	0	0	115.7
700	G	36.3	Very low	34.7	Very low	81 Å²	81	111.2 Å²	111.2	84%	0.835	82%	0.817	S	S	*	*			cis	171.9	142.7	-10.6	0	0	0	0	0	114.8
701	G	36	Very low	34.7	Very low	87 Å²	87	110.7 Å²	110.7	90%	0.897	82%	0.819	S	S	*	*			trans	86	140	170.1	0	0	0	0	0	116.1
702	G	35.3	Very low	35	Very low	80 Å²	80	107.7 Å²	107.7	83%	0.825	82%	0.817	S	S	*	*			cis	171.6	140.3	-10.6	0	0	0	0	0	114.7
703	G	35.3	Very low	34.6	Very low	88 Å²	88	108.9 Å²	108.9	91%	0.907	82%	0.817	S	S	*	*			trans	85.7	141	170.1	0	0	0	0	0	116.1
704	G	34.6	Very low	34.9	Very low	79 Å²	79	109.7 Å²	109.7	81%	0.814	82%	0.822	S	S	*	*			cis	170	134.4	-10.8	0	0	0	0	0	114
705	G	35.9	Very low	34.8	Very low	85 Å²	85	110.6 Å²	110.6	88%	0.876	83%	0.826	S	S	*	*			trans	81.5	126.9	172	0	0	0	0	0	115.5
706	G	30.3	Very low	34.5	Very low	75 Å²	75	108.6 Å²	108.6	77%	0.773	82%	0.82	S	S	*	*			cis	106.9	79.9	-11	0	0	0	0	0	115.7
707	L	34.1	Very low	34.8	Very low	187 Å²	187	110.8 Å²	110.8	98%	0.979	82%	0.818	S	S	*	*			trans	-139.8	152.6	156.2	-82.1	-176.5	0	0	0	111.1
708	H	30	Very low	34.7	Very low	167 Å²	167	111.9 Å²	111.9	77%	0.773	81%	0.81	S	S	*	*			trans	-129.9	144	-173.8	158.8	-74.6	0	0	0	109.4
709	V	33.3	Very low	35.5	Very low	132 Å²	132	114.5 Å²	114.5	80%	0.8	81%	0.812	S	S	*	*			trans	169.3	118.6	160.4	141.9	0	0	0	0	104.6
710	A	32.7	Very low	35.5	Very low	75 Å²	75	113.8 Å²	113.8	62%	0.62	81%	0.805	S	S	*	*			cis	108.3	137.4	41.1	0	0	0	0	0	110.8
711	I	34.2	Very low	35.3	Very low	160 Å²	160	114.7 Å²	114.7	82%	0.821	81%	0.805	S	S	*	*			trans	-91	149.6	-168.2	-58.8	160.5	0	0	0	110.9
712	P	37.5	Very low	35.3	Very low	115 Å²	115	118.9 Å²	118.9	75%	0.747	81%	0.806	S	S	*	*			trans	-131.1	136.4	140.6	35.7	-24.7	0	0	0	113.9
713	D	32.7	Very low	35.1	Very low	146 Å²	146	118.5 Å²	118.5	78%	0.781	80%	0.802	S	S	*	*			trans	-72.8	167.9	158.2	-82.6	-66.6	0	0	0	111.3
714	S	38.8	Very low	35.2	Very low	115 Å²	115	118.8 Å²	118.8	80%	0.804	80%	0.796	S	S	*	*			trans	95.7	145.4	-173.1	-40.7	0	0	0	0	112.8
715	V	37.3	Very low	35	Very low	126 Å²	126	119.7 Å²	119.7	76%	0.764	80%	0.796	S	S	*	*			cis	-138.4	123.6	16.9	175.9	0	0	0	0	107.4
716	L	33	Very low	35	Very low	150 Å²	150	119.8 Å²	119.8	79%	0.785	79%	0.788	S	S	*	*				65	126.3	81.8	-108.2	173.1	0	0	0	117.2
717	T	37.8	Very low	35.1	Very low	123 Å²	123	127.8 Å²	127.8	76%	0.755	80%	0.795	S	S	*	*			trans	70.5	132.7	161.9	7.3	0	0	0	0	119.9
718	P	34.3	Very low	34.9	Very low	112 Å²	112	127.3 Å²	127.3	73%	0.727	79%	0.785	S	S	*	*			trans	-92.4	160.9	170	37.7	-34.8	0	0	0	112.9
719	P	51.3	Low	35.1	Very low	134 Å²	134	125.2 Å²	125.2	87%	0.87	78%	0.784	S	S	*	*			trans	-81.8	147.1	169.2	34	-33.6	0	0	0	111.9
720	G	34.1	Very low	35.1	Very low	72 Å²	72	127.2 Å²	127.2	74%	0.742	79%	0.785	S	S	*	*			trans	-150.7	147.8	171.8	0	0	0	0	0	112.2
721	A	33.4	Very low	35.2	Very low	101 Å²	101	133.7 Å²	133.7	84%	0.835	80%	0.799	S	S	*	*			trans	47.4	104.7	163.6	0	0	0	0	0	119.7
722	D	36.5	Very low	35	Very low	175 Å²	175	129.6 Å²	129.6	94%	0.936	80%	0.796	S	S	*	*			trans	-156.2	156	144.6	-102.2	-36.4	0	0	0	108.6
723	G	31.2	Very low	35	Very low	71 Å²	71	128.9 Å²	128.9	73%	0.732	80%	0.801	S	S	*	*			cis	173.8	-10.1	-0.7	0	0	0	0	0	116.8
724	A	36	Very low	35	Very low	95 Å²	95	127.3 Å²	127.3	79%	0.785	80%	0.801	S	S	*	*			trans	-151.4	143.3	177.4	0	0	0	0	0	111
725	A	31.6	Very low	35	Very low	98 Å²	98	126.1 Å²	126.1	81%	0.81	80%	0.798	S	S	*	*			cis	87.8	93.8	26.9	0	0	0	0	0	115.8
726	A	34.7	Very low	34.8	Very low	86 Å²	86	126.1 Å²	126.1	71%	0.711	80%	0.798	S	S	*	*				167.7	126.5	127.9	0	0	0	0	0	115.5
727	R	33.5	Very low	34.9	Very low	244 Å²	244	123.8 Å²	123.8	92%	0.921	80%	0.801	S	S	*	*			trans	63.6	157.6	144.4	-63	174.2	-177.2	-164	0.8	119.4
728	K	30.1	Very low	34.6	Very low	177 Å²	177	122 Å²	122	77%	0.77	80%	0.798	S	S	*	*			cis	-167	177	-36	-151	179.6	179.9	-174.5	0	107.5
729	T	33.6	Very low	34.7	Very low	122 Å²	122	125 Å²	125	75%	0.748	81%	0.808	S	S	*	*			trans	69.3	123.6	178.7	67.5	0	0	0	0	114.7
730	Q	33.5	Very low	33.7	Very low	174 Å²	174	123 Å²	123	81%	0.813	80%	0.802	S	S	*	*			cis	83.1	92.2	6.6	-156.5	-174.3	18	0	0	117.6
731	F	35	Very low	33.9	Very low	211 Å²	211	125.1 Å²	125.1	93%	0.925	80%	0.803	S	S	*	*			trans	-160	149.6	149.6	-88	-77.4	0	0	0	107.8
732	G	29.6	Very low	33.8	Very low	74 Å²	74	126.7 Å²	126.7	76%	0.763	80%	0.802	S	S	*	*			cis	147.4	57.6	-12.9	0	0	0	0	0	117.4
733	A	37	Very low	33.5	Very low	101 Å²	101	122.6 Å²	122.6	84%	0.835	79%	0.792	S	S	*	*			trans	-170.3	164.2	163.3	0	0	0	0	0	111.5
734	S	33.5	Very low	33.7	Very low	113 Å²	113	125.1 Å²	125.1	79%	0.79	80%	0.798	S	S	*	*			cis	153.7	101.4	-40.3	173.7	0	0	0	0	111.2
735	A	37.3	Very low	33.4	Very low	90 Å²	90	127.1 Å²	127.1	74%	0.744	80%	0.796	S	S	*	*			trans	-179.8	108	155.7	0	0	0	0	0	108.1
736	T	34.3	Very low	33.9	Very low	125 Å²	125	128.4 Å²	128.4	77%	0.767	80%	0.796	S	S	*	*				77	111.3	61.7	64.5	0	0	0	0	116.1
737	A	35	Very low	33.8	Very low	101 Å²	101	131 Å²	131	84%	0.835	80%	0.797	S	S	*	*			trans	64.7	148.9	142.3	0	0	0	0	0	120.1
738	A	32.2	Very low	33.9	Very low	85 Å²	85	124.1 Å²	124.1	70%	0.702	79%	0.787	S	S	*	*			cis	-168	-178.7	-17.7	0	0	0	0	0	109.5
739	L	34.8	Very low	34.3	Very low	177 Å²	177	121.6 Å²	121.6	93%	0.927	79%	0.788	S	S	*	*			trans	78.5	143.1	165.2	-53.3	172.2	0	0	0	118.1
740	A	31.7	Very low	34.6	Very low	92 Å²	92	121.4 Å²	121.4	76%	0.76	79%	0.789	S	S	*	*			trans	-100.3	-172.8	166.3	0	0	0	0	0	108
741	P	37.6	Very low	34.4	Very low	115 Å²	115	121.6 Å²	121.6	75%	0.747	80%	0.795	S	S	*	*			cis	-147	-164.2	16.2	40.9	-17	0	0	0	116.8
742	V	31	Very low	34.3	Very low	135 Å²	135	116.9 Å²	116.9	82%	0.818	79%	0.788	S	S	*	*			trans	78.6	126.5	159.5	179.7	0	0	0	0	120.3
743	A	30.6	Very low	34.5	Very low	88 Å²	88	118 Å²	118	73%	0.727	79%	0.79	S	S	*	*			trans	-19.3	151.5	167.9	0	0	0	0	0	123.2
744	S	35.4	Very low	34.2	Very low	124 Å²	124	118.8 Å²	118.8	87%	0.867	79%	0.79	S	S	*	*			trans	-154	135.5	137.2	-37.5	0	0	0	0	111.4
745	D	29.8	Very low	34.4	Very low	138 Å²	138	119.8 Å²	119.8	74%	0.738	79%	0.793	S	S	*	*			trans	-96.8	152.1	170.4	-113.5	-36.9	0	0	0	111	L747	D745-L747 HydrophobicContact CB-CG 4.39Å
746	P	42.6	Very low	34.1	Very low	124 Å²	124	125.5 Å²	125.5	81%	0.805	80%	0.796	S	S	*	*			trans	-101.6	85.6	161.8	35.3	-26.6	0	0	0	111.2
747	L	32.3	Very low	34.2	Very low	141 Å²	141	126.6 Å²	126.6	74%	0.738	80%	0.797	S	S	*	*			trans	-83.9	146.8	175.4	-77.2	171.4	0	0	0	113.3	D745	D745-L747 HydrophobicContact CB-CG 4.39Å
748	S	34.6	Very low	34.2	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	79%	0.794	S	S	*	*			trans	45.1	131.1	146.8	-55.3	0	0	0	0	122
749	P	39.9	Very low	34.1	Very low	123 Å²	123	134.7 Å²	134.7	80%	0.799	80%	0.8	S	S	*	*			trans	-69.4	153.2	155.6	32.7	-33.6	0	0	0	111.1
750	P	38.9	Very low	34.2	Very low	118 Å²	118	132.4 Å²	132.4	77%	0.766	80%	0.795	S	S	*	*			trans	-88.7	151.6	-164.2	33.9	-37	0	0	0	115.6
751	L	29.4	Very low	34.1	Very low	179 Å²	179	130.8 Å²	130.8	94%	0.937	79%	0.787	S	S	*	*			trans	-102.5	111.4	163.6	-71.1	173.5	0	0	0	110.4
752	S	33.3	Very low	33.9	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	80%	0.796	S	S	*	*			trans	-167	104.2	164.6	59.5	0	0	0	0	114
753	A	34	Very low	33.9	Very low	99 Å²	99	130.6 Å²	130.6	82%	0.818	79%	0.792	S	S	*	*			trans	-173.3	96.7	151.7	0	0	0	0	0	111.3
754	S	30.3	Very low	33.9	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	80%	0.798	S	S	*	*			trans	-120.8	111.6	168.7	-56.8	0	0	0	0	110.1
755	P	38.1	Very low	33.8	Very low	133 Å²	133	128.6 Å²	128.6	86%	0.864	80%	0.8	S	S	*	*			trans	-63.5	152.4	163.1	-20	33.9	0	0	0	110.9
756	R	30.4	Very low	33.9	Very low	211 Å²	211	125.9 Å²	125.9	80%	0.796	81%	0.805	S	S	*	*			trans	-147.3	99.5	-167.7	179.1	-162.6	172.9	146.8	2.3	112.5
757	D	36	Very low	33.5	Very low	148 Å²	148	124.2 Å²	124.2	79%	0.791	81%	0.81	S	S	*	*			trans	-138.6	124.9	163.4	-75.5	-64.1	0	0	0	107.9
758	K	34.9	Very low	33.6	Very low	181 Å²	181	121.2 Å²	121.2	79%	0.787	81%	0.814	S	S	*	*				80.5	90.5	60	-77	-170.9	167.5	-169.9	0	114.2
759	H	29.8	Very low	33.6	Very low	175 Å²	175	120.7 Å²	120.7	81%	0.81	82%	0.823	S	S	*	*			trans	-59.5	158.2	144.1	-103.7	-58.3	0	0	0	110.2
760	P	36.9	Very low	33.3	Very low	128 Å²	128	119 Å²	119	83%	0.831	83%	0.828	S	S	*	*			cis	-116.4	-175.7	43.2	40.4	-30.6	0	0	0	113.7
761	G	31.6	Very low	33.1	Very low	58 Å²	58	117.1 Å²	117.1	60%	0.598	83%	0.83	S	S	*	*			cis	148.8	155.4	-8.8	0	0	0	0	0	113.4
762	N	31.5	Very low	33.3	Very low	174 Å²	174	112.4 Å²	112.4	93%	0.93	83%	0.826	S	S	*	*			trans	71.5	139.4	169.6	-162.4	29.3	0	0	0	120.5
763	G	32.2	Very low	33.4	Very low	72 Å²	72	112.3 Å²	112.3	74%	0.742	83%	0.831	S	S	*	*			trans	80.6	135.8	158.9	0	0	0	0	0	118.3
764	G	31.1	Very low	33.4	Very low	81 Å²	81	111.7 Å²	111.7	84%	0.835	83%	0.834	S	S	*	*			cis	159.4	118.3	-10.8	0	0	0	0	0	114.1
765	G	32.1	Very low	33.5	Very low	89 Å²	89	110.1 Å²	110.1	92%	0.918	84%	0.837	S	S	*	*			trans	76.9	158.7	172.9	0	0	0	0	0	116.2
766	G	32.9	Very low	33.2	Very low	81 Å²	81	107.8 Å²	107.8	84%	0.835	84%	0.837	S	S	*	*			cis	167.8	136.2	-9.7	0	0	0	0	0	114
767	G	33.6	Very low	33.2	Very low	89 Å²	89	101.4 Å²	101.4	92%	0.918	84%	0.837	S	S	*	*			trans	80.3	155.6	172.9	0	0	0	0	0	116.1
768	G	34	Very low	33.3	Very low	79 Å²	79	100.6 Å²	100.6	81%	0.814	84%	0.839	S	S	*	*			cis	170.4	145.8	-7.9	0	0	0	0	0	113.7
769	G	34	Very low	33	Very low	88 Å²	88	97.9 Å²	97.9	91%	0.907	84%	0.843	S	S	*	*			trans	78.2	151.2	-178.7	0	0	0	0	0	114.2
770	G	34.4	Very low	33	Very low	87 Å²	87	93.8 Å²	93.8	90%	0.897	84%	0.84	S	S	*	*			cis	134	136.6	1.5	0	0	0	0	0	110.8
771	G	34.3	Very low	32.6	Very low	79 Å²	79	93.3 Å²	93.3	81%	0.814	84%	0.839	S	S	*	*			cis	173.5	174	-5.8	0	0	0	0	0	112.1
772	G	34.9	Very low	32.5	Very low	81 Å²	81	98.6 Å²	98.6	84%	0.835	85%	0.854	S	S	*	*			trans	81.6	167.3	172.9	0	0	0	0	0	116.4
773	A	34.7	Very low	32.3	Very low	108 Å²	108	94.4 Å²	94.4	89%	0.893	84%	0.839	S	S	*	*			cis	-162.6	143.7	-16.7	0	0	0	0	0	111.5
774	G	34.5	Very low	32.4	Very low	86 Å²	86	99 Å²	99	89%	0.887	85%	0.845	S	S	*	*			trans	82.8	155.4	170.5	0	0	0	0	0	116.4
775	G	31	Very low	32.2	Very low	84 Å²	84	102.6 Å²	102.6	87%	0.866	84%	0.844	S	S	*	*			cis	163.1	91.2	-9.9	0	0	0	0	0	116.6
776	G	31.8	Very low	32.2	Very low	84 Å²	84	108.9 Å²	108.9	87%	0.866	84%	0.842	S	S	*	*			trans	90.7	147.8	152	0	0	0	0	0	119.6
777	G	31.5	Very low	32.1	Very low	77 Å²	77	111.3 Å²	111.3	79%	0.794	84%	0.841	S	S	*	*			trans	92.7	100.4	154.8	0	0	0	0	0	118.4
778	P	37.4	Very low	32.5	Very low	131 Å²	131	109.4 Å²	109.4	85%	0.851	82%	0.821	S	S	*	*			trans	-101	144.7	175.8	36.6	-31.5	0	0	0	114.1
779	S	28.8	Very low	32.7	Very low	124 Å²	124	112.4 Å²	112.4	87%	0.867	82%	0.818	S	S	*	*			trans	-169.2	169.7	149.5	-157	0	0	0	0	113.4
780	A	30.5	Very low	32.9	Very low	89 Å²	89	114.7 Å²	114.7	74%	0.736	81%	0.809	S	S	*	*			trans	63.3	84.7	158.2	0	0	0	0	0	119
781	S	28.2	Very low	32.9	Very low	118 Å²	118	116 Å²	116	83%	0.825	79%	0.792	S	S	*	*			trans	-27.5	142.6	152.5	-43.9	0	0	0	0	116.9
782	N	29.9	Very low	33.1	Very low	169 Å²	169	114.7 Å²	114.7	90%	0.904	77%	0.773	S	S	*	*			trans	-151.6	147.4	144.5	-122.8	-31	0	0	0	114.7
783	S	27.1	Very low	33.3	Very low	87 Å²	87	116.2 Å²	116.2	61%	0.608	76%	0.761	S	S	*	*			trans	-68.1	139.3	-172.2	149.8	0	0	0	0	114.7
784	L	33.7	Very low	33.4	Very low	168 Å²	168	118.3 Å²	118.3	88%	0.88	75%	0.753	S	S	*	*			trans	-134.1	145.5	147.3	-77.7	179.7	0	0	0	110.7
785	L	27.8	Very low	33.5	Very low	156 Å²	156	121.6 Å²	121.6	82%	0.817	74%	0.739	S	S	*	*			trans	-110.5	138.7	-176.5	-65.6	163.7	0	0	0	109.3
786	Y	30.9	Very low	33.9	Very low	221 Å²	221	122.3 Å²	122.3	87%	0.867	72%	0.722	S	S	*	*			trans	-132.1	126.8	168.7	-104.3	-87.7	0	0	0	113.8
787	T	31.7	Very low	34.2	Very low	133 Å²	133	126.9 Å²	126.9	82%	0.816	72%	0.721	S	S	*	*			trans	-47.2	129	170.8	51.8	0	0	0	0	114.3
788	G	40.5	Very low	34.4	Very low	48 Å²	48	127.6 Å²	127.6	50%	0.495	72%	0.719	S	S	.	*			trans	-146.7	-21.5	172.1	0	0	0	0	0	116.5	L790 E791	G788-L790 VanDerWaalsContact C-N 3.26Å; G788-L790 PolarHBondContact O-N 2.99Å; G788-E791 PolarHBondContact O-N 2.84Å
789	D	39.1	Very low	34.1	Very low	143 Å²	143	123.4 Å²	123.4	77%	0.765	70%	0.7	S	S	*	*	H	α-helix	trans	-62.6	-22.3	-161.2	-49.9	-42.1	0	0	0	116.2
790	L	37.7	Very low	34.3	Very low	136 Å²	136	126 Å²	126	71%	0.712	70%	0.704	S	S	*	*	H	α-helix	trans	-83.5	-32	-175.1	-151.6	73.2	0	0	0	113.3	G788	G788-L790 VanDerWaalsContact C-N 3.26Å; G788-L790 PolarHBondContact O-N 2.99Å
791	E	35.2	Very low	34.2	Very low	115 Å²	115	127.4 Å²	127.4	54%	0.537	70%	0.703	S	S	.	*	H	α-helix	trans	-83.6	-24.2	179.5	-151.9	-176.8	-117.1	0	0	111.7	G788 Q794 R795	G788-E791 PolarHBondContact O-N 2.84Å; E791-Q794 PolarHBondContact O-N 3.15Å; E791-R795 PolarHBondContact O-N 3.33Å; E791-R795 IonicContact OE2-CZ 2.7Å; E791-R795 IonicContact OE2-NH1 3.13Å; E791-R795 PolarHBondContact OE2-NH1 2.8Å; E791-R795 IonicContact OE2-NH2 3.81Å; E791-R795 PolarHBondContact OE2-NH2 3Å
792	A	37.7	Very low	34.4	Very low	51 Å²	51	127.7 Å²	127.7	42%	0.421	70%	0.7	S	S	.	*	H	α-helix	trans	-61.9	-42	171.8	0	0	0	0	0	112.2	Q794 R795 L796	A792-Q794 PolarHBondContact O-N 2.82Å; A792-R795 PolarHBondContact O-N 3.11Å; A792-L796 WeakPolarHBondContact O-CG 3.34Å; A792-L796 PolarHBondContact O-N 3.07Å; A792-L796 VanDerWaalsContact O-N 3.07Å
793	L	40	Very low	34.3	Very low	112 Å²	112	126.9 Å²	126.9	59%	0.586	70%	0.695	S	S	*	*	H	α-helix	trans	-59.6	-32.2	177.8	-113.9	72.9	0	0	0	113.2
794	Q	37	Very low	34.6	Very low	153 Å²	153	127.8 Å²	127.8	72%	0.715	70%	0.699	S	S	*	*	H	α-helix	trans	-84.7	-24.2	-177.4	-149.6	165.2	10.5	0	0	112.6	E791 A792	E791-Q794 PolarHBondContact O-N 3.15Å; A792-Q794 PolarHBondContact O-N 2.82Å
795	R	37.1	Very low	34.3	Very low	155 Å²	155	128.4 Å²	128.4	59%	0.585	70%	0.702	S	S	*	*	H	α-helix	trans	-79.2	-26.5	169.4	-65.9	-168.1	-178.2	90.4	3.4	113.2	E791 A792 Q797 A798 G799	E791-R795 PolarHBondContact O-N 3.33Å; E791-R795 IonicContact OE2-CZ 2.7Å; E791-R795 IonicContact OE2-NH1 3.13Å; E791-R795 PolarHBondContact OE2-NH1 2.8Å; E791-R795 IonicContact OE2-NH2 3.81Å; E791-R795 PolarHBondContact OE2-NH2 3Å; A792-R795 PolarHBondContact O-N 3.11Å; R795-Q797 PolarHBondContact O-N 3.1Å; R795-Q797 VanDerWaalsContact O-N 3.16Å; R795-A798 PolarHBondContact O-N 2.64Å; R795-G799 PolarHBondContact O-N 3.06Å
796	L	38.7	Very low	34.4	Very low	98 Å²	98	124.2 Å²	124.2	51%	0.513	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-16.8	178.1	-86.6	166	0	0	0	114.7	A792 A798 V802	A792-L796 WeakPolarHBondContact O-CG 3.34Å; A792-L796 PolarHBondContact O-N 3.07Å; A792-L796 VanDerWaalsContact O-N 3.07Å; L796-A798 VanDerWaalsContact C-N 3.33Å; L796-V802 HydrophobicContact CD2-CG2 4.23Å
797	Q	37.2	Very low	34.2	Very low	180 Å²	180	121.7 Å²	121.7	84%	0.841	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	1.5	172.9	-61.7	-168.4	-68.9	0	0	113.8	R795	R795-Q797 PolarHBondContact O-N 3.1Å; R795-Q797 VanDerWaalsContact O-N 3.16Å
798	A	36.2	Very low	34	Very low	93 Å²	93	124.3 Å²	124.3	77%	0.769	67%	0.673	S	S	*	*	S	Bend	trans	-140.1	6.9	-169.8	0	0	0	0	0	115.8	R795 L796	R795-A798 PolarHBondContact O-N 2.64Å; L796-A798 VanDerWaalsContact C-N 3.33Å
799	G	31.5	Very low	33.4	Very low	43 Å²	43	127.2 Å²	127.2	44%	0.443	68%	0.681	S	S	.	*			trans	-153.4	133.9	-176.5	0	0	0	0	0	115.3	R795 V801	R795-G799 PolarHBondContact O-N 3.06Å; G799-V801 VanDerWaalsContact C-N 3.34Å; G799-V801 PolarHBondContact O-N 2.79Å
800	N	31.7	Very low	32.8	Very low	178 Å²	178	126.9 Å²	126.9	95%	0.952	68%	0.684	S	S	*	*			trans	-80.6	62.9	-174.7	-66.4	-8.3	0	0	0	113.4
801	V	29.5	Very low	32.3	Very low	118 Å²	118	124 Å²	124	72%	0.715	69%	0.687	S	S	*	*			trans	-143.9	128.7	171.6	-168	0	0	0	0	111.1	G799	G799-V801 VanDerWaalsContact C-N 3.34Å; G799-V801 PolarHBondContact O-N 2.79Å
802	V	33.1	Very low	32.1	Very low	125 Å²	125	125.4 Å²	125.4	76%	0.758	70%	0.704	S	S	*	*			trans	-137.2	131.1	171.8	-178.2	0	0	0	0	110.3	L796	L796-V802 HydrophobicContact CD2-CG2 4.23Å
803	L	28	Very low	31.7	Very low	152 Å²	152	131.3 Å²	131.3	80%	0.796	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-100.7	142.3	173	-75.5	164.1	0	0	0	110.5	L805	L803-L805 PolarHBondContact O-N 2.81Å
804	P	31.8	Very low	31.3	Very low	106 Å²	106	131 Å²	131	69%	0.688	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-76.5	121.5	175.3	30.2	-32.8	0	0	0	111.5
805	L	27.7	Very low	30.9	Very low	180 Å²	180	128.4 Å²	128.4	94%	0.942	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-81.7	121.3	178.1	-166	76.7	0	0	0	110.8	L803	L803-L805 PolarHBondContact O-N 2.81Å
806	V	29.4	Very low	30.6	Very low	69 Å²	69	128.4 Å²	128.4	42%	0.418	76%	0.763	S	S	.	*			trans	-116.9	123.9	179.5	178.5	0	0	0	0	111.1	L872	V806-L872 HydrophobicContact CB-CD1 4.06Å; V806-L872 HydrophobicContact CB-CD2 4Å; V806-L872 HydrophobicContact CB-CG 4.21Å; V806-L872 HydrophobicContact CG1-CD1 4.1Å; V806-L872 HydrophobicContact CG1-CG 4.49Å; V806-L872 HydrophobicContact CG2-CD1 4.36Å; V806-L872 HydrophobicContact CG2-CD2 3.63Å; V806-L872 HydrophobicContact CG2-CG 3.95Å
807	H	28.4	Very low	30.2	Very low	167 Å²	167	128.9 Å²	128.9	77%	0.773	78%	0.775	S	S	*	*			trans	-89.4	126.4	176.1	-157.4	-90.5	0	0	0	110.4
808	R	26.4	Very low	29.9	Very low	188 Å²	188	127 Å²	127	71%	0.709	78%	0.776	S	S	*	*			trans	-77.3	139.1	180	-91.2	179	166.8	165.3	-4.5	112
809	V	27.4	Very low	29.5	Very low	110 Å²	110	127.6 Å²	127.6	67%	0.667	78%	0.781	S	S	*	*			trans	-123.4	135.3	155.1	-177.7	0	0	0	0	108.2
810	T	26.4	Very low	29.4	Very low	135 Å²	135	129.7 Å²	129.7	83%	0.828	79%	0.794	S	S	*	*			trans	-96.7	141.2	-169.7	40.1	0	0	0	0	113.6
811	G	28.5	Very low	29.1	Very low	75 Å²	75	129.1 Å²	129.1	77%	0.773	79%	0.786	S	S	*	*			trans	-160.2	145.4	172.3	0	0	0	0	0	110.2
812	T	31.6	Very low	29	Very low	145 Å²	145	131.8 Å²	131.8	89%	0.89	78%	0.783	S	S	*	*			trans	-92.1	166.3	-166.9	39.3	0	0	0	0	114.8
813	L	27.9	Very low	28.7	Very low	176 Å²	176	132.2 Å²	132.2	92%	0.921	79%	0.785	S	S	*	*			trans	-80.1	150.4	-166.8	-56.6	90.9	0	0	0	114.8
814	A	32.2	Very low	28.6	Very low	105 Å²	105	131.8 Å²	131.8	87%	0.868	77%	0.774	S	S	*	*				-157	150.4	129.6	0	0	0	0	0	108.6
815	A	27.8	Very low	28.4	Very low	99 Å²	99	132.1 Å²	132.1	82%	0.818	78%	0.775	S	S	*	*			trans	-138.6	144.6	-175	0	0	0	0	0	112.8
816	T	32.4	Very low	28.4	Very low	154 Å²	154	126.8 Å²	126.8	95%	0.945	75%	0.75	S	S	*	*			trans	-154	154	163.8	12.9	0	0	0	0	109.7
817	S	29.1	Very low	28.3	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	76%	0.76	S	S	*	*			trans	-93.9	147.4	-170.8	-176.4	0	0	0	0	113.3
818	T	31.2	Very low	28.5	Very low	142 Å²	142	122.2 Å²	122.2	87%	0.871	75%	0.746	S	S	*	*				-176.7	163.5	120.3	25.2	0	0	0	0	111.7
819	A	27.6	Very low	28.6	Very low	105 Å²	105	118.3 Å²	118.3	87%	0.868	74%	0.738	S	S	*	*			trans	-64.9	143.1	-165.8	0	0	0	0	0	116.1
820	A	28.5	Very low	28.9	Very low	87 Å²	87	116.4 Å²	116.4	72%	0.719	72%	0.719	S	S	*	*			trans	-154.8	133	155.9	0	0	0	0	0	109.3	R822	A820-R822 PolarHBondContact O-N 2.89Å
821	Q	27.2	Very low	28.9	Very low	166 Å²	166	119.7 Å²	119.7	78%	0.776	72%	0.717	S	S	*	*			trans	-60.8	131.2	179	-69	156.9	-37.5	0	0	110.5	E373	E373-Q821 PolarHBondContact OE1-NE2 3.2Å
822	R	26.5	Very low	28.9	Very low	174 Å²	174	119.7 Å²	119.7	66%	0.657	71%	0.71	S	S	*	*			trans	-114.2	111.1	171.5	-71.8	-170.9	179.6	-174.1	3.1	110	A820 Y824	A820-R822 PolarHBondContact O-N 2.89Å; R822-Y824 HydrophobicContact CB-CD2 4.49Å; R822-Y824 HydrophobicContact CB-CE2 4Å; R822-Y824 WeakPolarHBondContact O-CD2 3.15Å; R822-Y824 WeakPolarHBondContact O-CE2 3.46Å; R822-Y824 PolarHBondContact O-N 2.62Å
823	V	26.5	Very low	28.8	Very low	133 Å²	133	116.6 Å²	116.6	81%	0.806	69%	0.693	S	S	*	*			trans	-74	111.3	165.4	-179.1	0	0	0	0	107.4
824	Y	25.8	Very low	28.9	Very low	143 Å²	143	112.5 Å²	112.5	56%	0.561	68%	0.684	S	S	*	*			trans	-78.1	154	172	-66	-96.4	0	0	0	109.7	Y395 R822	Y395-Y824 WeakPolarHBondContact CE2-O 3.5Å; R822-Y824 HydrophobicContact CB-CD2 4.49Å; R822-Y824 HydrophobicContact CB-CE2 4Å; R822-Y824 WeakPolarHBondContact O-CD2 3.15Å; R822-Y824 WeakPolarHBondContact O-CE2 3.46Å; R822-Y824 PolarHBondContact O-N 2.62Å
825	T	27.6	Very low	28.7	Very low	114 Å²	114	115.4 Å²	115.4	70%	0.699	68%	0.679	S	S	*	*			trans	-132.9	95.7	168.9	60.4	0	0	0	0	109.4
826	T	28.8	Very low	28.8	Very low	68 Å²	68	116.1 Å²	116.1	42%	0.417	67%	0.674	S	S	.	*			trans	-100.4	118.7	167.1	80.6	0	0	0	0	108	Y395	Y395-T826 WeakPolarHBondContact OH-CA 3.48Å; Y395-T826 PolarHBondContact OH-N 3.4Å; Y395-T826 PolarHBondContact OH-O 3.1Å; Y395-T826 PolarHBondContact OH-OG1 3.28Å
827	G	27.3	Very low	28.5	Very low	61 Å²	61	115 Å²	115	63%	0.629	67%	0.666	S	S	*	*			trans	-80.3	120.2	166.5	0	0	0	0	0	108.1	I829	G827-I829 PolarHBondContact O-N 3.42Å
828	T	32.6	Very low	28.5	Very low	78 Å²	78	116.2 Å²	116.2	48%	0.479	66%	0.664	S	S	.	*			trans	-69.5	101	176.1	-23.8	0	0	0	0	108.6	R830	T828-R830 VanDerWaalsContact C-N 3.26Å; T828-R830 PolarHBondContact O-N 3.39Å
829	I	27.3	Very low	28.2	Very low	107 Å²	107	114.5 Å²	114.5	55%	0.549	66%	0.664	S	S	.	*			trans	-71.3	86	176.4	-56.3	178.1	0	0	0	108.2	G827 Y831	G827-I829 PolarHBondContact O-N 3.42Å; I829-Y831 HydrophobicContact CG2-CD2 4.35Å; I829-Y831 HydrophobicContact CG2-CE2 4.03Å; I829-Y831 PolarHBondContact O-N 3.14Å
830	R	33.6	Very low	28.3	Very low	70 Å²	70	117.6 Å²	117.6	26%	0.264	66%	0.663	S	S	.	*			trans	-75.7	109.4	170.1	-78.5	-171	173	-96.3	15.9	108.7	R327 M332 Y431 T828 A832	R327-R830 PolarHBondContact O-NH1 3.14Å; R327-R830 VanDerWaalsContact O-NH1 3.11Å; M332-R830 PolarHBondContact SD-NH2 3.46Å; Y431-R830 VanDerWaalsContact CE1-NH2 3.26Å; Y431-R830 PolarHBondContact OH-NH2 2.88Å; T828-R830 VanDerWaalsContact C-N 3.26Å; T828-R830 PolarHBondContact O-N 3.39Å; R830-A832 VanDerWaalsContact C-N 3.31Å; R830-A832 PolarHBondContact O-N 3.06Å
831	Y	26.6	Very low	28.3	Very low	203 Å²	203	122.9 Å²	122.9	80%	0.796	67%	0.673	S	S	*	*			trans	-69	87.6	170.6	-74.2	-87.7	0	0	0	110.6	I829 P833	I829-Y831 HydrophobicContact CG2-CD2 4.35Å; I829-Y831 HydrophobicContact CG2-CE2 4.03Å; I829-Y831 PolarHBondContact O-N 3.14Å; Y831-P833 WeakPolarHBondContact O-CD 3.3Å
832	A	28.9	Very low	28.3	Very low	76 Å²	76	119.8 Å²	119.8	63%	0.628	67%	0.669	S	S	*	*			trans	-72.6	118.5	160.8	0	0	0	0	0	108.4	R830 A834	R830-A832 VanDerWaalsContact C-N 3.31Å; R830-A832 PolarHBondContact O-N 3.06Å; A832-A834 PolarHBondContact O-N 3.37Å; A832-A834 VanDerWaalsContact O-N 3.16Å
833	P	29	Very low	28.4	Very low	80 Å²	80	118.6 Å²	118.6	52%	0.519	68%	0.676	S	S	.	*			trans	-66.6	117.7	172.7	27.6	-32.5	0	0	0	108.5	Y831 E835	Y831-P833 WeakPolarHBondContact O-CD 3.3Å; P833-E835 PolarHBondContact O-N 3.47Å
834	A	30.7	Very low	28.5	Very low	89 Å²	89	120 Å²	120	74%	0.736	68%	0.678	S	S	*	*			trans	-69.9	94	174.8	0	0	0	0	0	109.5	A832 V836	A832-A834 PolarHBondContact O-N 3.37Å; A832-A834 VanDerWaalsContact O-N 3.16Å; A834-V836 VanDerWaalsContact C-N 3.28Å; A834-V836 PolarHBondContact O-N 3.13Å
835	E	27.8	Very low	28.7	Very low	166 Å²	166	121.3 Å²	121.3	78%	0.776	69%	0.694	S	S	*	*			trans	-65.1	91.7	165.5	-78	-166	167.1	0	0	109.2	P833 T837	P833-E835 PolarHBondContact O-N 3.47Å; E835-T837 PolarHBondContact O-N 2.88Å; E835-T837 PolarHBondContact O-OG1 3.46Å
836	V	29.8	Very low	28.9	Very low	115 Å²	115	121.9 Å²	121.9	70%	0.697	70%	0.699	S	S	*	*			trans	-68.7	79.8	170.4	-175.8	0	0	0	0	108.4	A834 L838	A834-V836 VanDerWaalsContact C-N 3.28Å; A834-V836 PolarHBondContact O-N 3.13Å; V836-L838 HydrophobicContact CG1-CB 4.38Å; V836-L838 HydrophobicContact CG1-CD1 3.72Å; V836-L838 PolarHBondContact O-N 3.34Å
837	T	26.4	Very low	28.7	Very low	129 Å²	129	126.1 Å²	126.1	79%	0.791	72%	0.72	S	S	*	*			trans	-74.6	56.7	171.4	30.8	0	0	0	0	110.7	E835 A839	E835-T837 PolarHBondContact O-N 2.88Å; E835-T837 PolarHBondContact O-OG1 3.46Å; T837-A839 PolarHBondContact O-N 2.94Å
838	L	28.7	Very low	28.8	Very low	134 Å²	134	126.5 Å²	126.5	70%	0.702	72%	0.717	S	S	*	*			trans	-67.2	119.4	156.3	-110	80.4	0	0	0	107.7	V836 M840	V836-L838 HydrophobicContact CG1-CB 4.38Å; V836-L838 HydrophobicContact CG1-CD1 3.72Å; V836-L838 PolarHBondContact O-N 3.34Å; L838-M840 PolarHBondContact O-N 3.14Å
839	A	26.3	Very low	28.6	Very low	107 Å²	107	131.5 Å²	131.5	88%	0.884	73%	0.734	S	S	*	*			trans	-73.7	89.4	174.8	0	0	0	0	0	110.4	T837	T837-A839 PolarHBondContact O-N 2.94Å
840	M	28.8	Very low	28.5	Very low	169 Å²	169	130.7 Å²	130.7	83%	0.833	74%	0.744	S	S	*	*			trans	-118.4	145.9	159.6	-70	-166.9	71.7	0	0	109.6	L838	L838-M840 PolarHBondContact O-N 3.14Å
841	Q	29.1	Very low	28.3	Very low	198 Å²	198	134 Å²	134	93%	0.925	77%	0.772	S	S	*	*			trans	-80.4	148.8	-160.7	-69.2	167.9	-58.2	0	0	113.4
842	S	26.5	Very low	28.2	Very low	101 Å²	101	131.1 Å²	131.1	71%	0.706	77%	0.77	S	S	*	*			trans	-64	132.4	172.6	52	0	0	0	0	112.5
843	N	28.3	Very low	28.2	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	79%	0.785	S	S	*	*				175.5	171.3	116.5	-87	-23.7	0	0	0	112.8
844	L	29.6	Very low	28.2	Very low	163 Å²	163	139.1 Å²	139.1	85%	0.853	79%	0.791	S	S	*	*			trans	75	81.6	168.7	-53.9	-178.7	0	0	0	117.8
845	L	30.2	Very low	28	Very low	170 Å²	170	140.5 Å²	140.5	89%	0.89	79%	0.786	S	S	*	*			trans	-66.7	147.8	141.7	-75.2	163	0	0	0	110.5
846	P	30.1	Very low	28.1	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	79%	0.79	S	S	*	*			trans	-104.7	169.8	142.1	-6.7	26.3	0	0	0	111.9
847	N	26.2	Very low	27.9	Very low	158 Å²	158	140.1 Å²	140.1	85%	0.845	79%	0.79	S	S	*	*			trans	-120.1	165.4	-166.2	-173.1	20.2	0	0	0	112.3
848	A	28.4	Very low	28	Very low	68 Å²	68	139.4 Å²	139.4	56%	0.562	79%	0.791	S	S	*	*			trans	69.1	150.8	173.3	0	0	0	0	0	115.3
849	H	29.4	Very low	28	Very low	184 Å²	184	139.2 Å²	139.2	85%	0.852	80%	0.798	S	S	*	*			cis	-130	150.9	23.1	-81.1	-99.1	0	0	0	114.8
850	A	24.3	Very low	28.1	Very low	90 Å²	90	137.4 Å²	137.4	74%	0.744	79%	0.789	S	S	*	*			trans	-86.3	145.4	169.7	0	0	0	0	0	111.7
851	V	29.9	Very low	28	Very low	140 Å²	140	138.8 Å²	138.8	85%	0.848	79%	0.791	S	S	*	*			trans	-128.9	103.1	163.1	-81.8	0	0	0	0	108.9
852	N	24.8	Very low	27.9	Very low	142 Å²	142	133 Å²	133	76%	0.759	78%	0.784	S	S	*	*			trans	-71.1	135.9	168.7	-74.2	-19.6	0	0	0	109.3
853	F	28.8	Very low	28.1	Very low	216 Å²	216	135.5 Å²	135.5	95%	0.947	79%	0.789	S	S	*	*			trans	-124.7	140	148.1	-102.1	-89.3	0	0	0	108.7
854	V	28.4	Very low	28	Very low	108 Å²	108	133.3 Å²	133.3	66%	0.655	78%	0.777	S	S	*	*			trans	-120.7	141.7	-163.7	175.1	0	0	0	0	109.3
855	D	25.5	Very low	28.3	Very low	118 Å²	118	131.5 Å²	131.5	63%	0.631	78%	0.775	S	S	*	*			trans	55.6	129.1	172.8	-87.1	-61.8	0	0	0	118.3	N857	D855-N857 PolarHBondContact OD1-ND2 2.91Å; D855-N857 VanDerWaalsContact OD1-ND2 3.08Å
856	V	31.5	Very low	28.3	Very low	139 Å²	139	130.7 Å²	130.7	84%	0.842	76%	0.764	S	S	*	*				-148.5	122.4	92.2	152	0	0	0	0	108.2
857	N	25.1	Very low	28.3	Very low	133 Å²	133	129.8 Å²	129.8	71%	0.711	76%	0.757	S	S	*	*			trans	-81.4	135.6	168.6	-81.7	-78.4	0	0	0	111	D855	D855-N857 PolarHBondContact OD1-ND2 2.91Å; D855-N857 VanDerWaalsContact OD1-ND2 3.08Å
858	S	27.7	Very low	28.6	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	76%	0.756	S	S	*	*			trans	-157.4	129.7	150.8	-82	0	0	0	0	110.3
859	P	30.2	Very low	28.7	Very low	131 Å²	131	133.8 Å²	133.8	85%	0.851	77%	0.772	S	S	*	*			trans	-97	160.6	-170.1	37.6	-35.9	0	0	0	113.7
860	G	26.5	Very low	28.8	Very low	68 Å²	68	133.2 Å²	133.2	70%	0.701	77%	0.769	S	S	*	*			trans	99.9	98.9	152	0	0	0	0	0	116.6
861	F	28.5	Very low	29	Very low	199 Å²	199	135.9 Å²	135.9	87%	0.873	77%	0.768	S	S	*	*			trans	-154.3	111.5	134.3	-110	-73.2	0	0	0	108.7
862	G	26.8	Very low	29	Very low	75 Å²	75	134.2 Å²	134.2	77%	0.773	75%	0.754	S	S	*	*			trans	-91.4	124.2	171.3	0	0	0	0	0	109.9
863	L	30.3	Very low	29.3	Very low	155 Å²	155	137.9 Å²	137.9	81%	0.812	76%	0.759	S	S	*	*			trans	-138.3	137.5	174	-70.8	175.8	0	0	0	110.4
864	D	26.7	Very low	29.4	Very low	104 Å²	104	136.1 Å²	136.1	56%	0.556	75%	0.753	S	S	*	*			trans	-75.3	122.9	-177	179	16.8	0	0	0	111.3	K866	D864-K866 PolarHBondContact O-N 2.82Å; D864-K866 IonicContact OD1-NZ 2.65Å; D864-K866 WeakPolarHBondContact OD2-CG 3.37Å; D864-K866 IonicContact OD2-NZ 3.08Å; D864-K866 PolarHBondContact OD2-NZ 3.16Å
865	P	35.2	Very low	29.4	Very low	125 Å²	125	136 Å²	136	81%	0.812	75%	0.745	S	S	*	*			trans	-80.3	42.8	-179.5	35	-36.8	0	0	0	113.4
866	K	29.9	Very low	29.7	Very low	153 Å²	153	137.2 Å²	137.2	67%	0.665	76%	0.756	S	S	*	*			trans	-77.6	120.1	167.2	-77.6	-169.8	-170.5	88.2	0	110.2	D864	D864-K866 PolarHBondContact O-N 2.82Å; D864-K866 IonicContact OD1-NZ 2.65Å; D864-K866 WeakPolarHBondContact OD2-CG 3.37Å; D864-K866 IonicContact OD2-NZ 3.08Å; D864-K866 PolarHBondContact OD2-NZ 3.16Å
867	T	29.8	Very low	29.7	Very low	106 Å²	106	138.3 Å²	138.3	65%	0.65	75%	0.752	S	S	*	*			trans	59	122.2	-178.9	39	0	0	0	0	114.7
868	P	32.4	Very low	29.7	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	76%	0.763	S	S	*	*				-138.3	82.6	59.8	37.1	-19.2	0	0	0	114.2
869	M	31.6	Very low	29.8	Very low	183 Å²	183	146.3 Å²	146.3	90%	0.901	77%	0.766	S	S	*	*			trans	-89.9	2.5	172.9	-93	-74.5	-83.8	0	0	114.2
870	E	31.9	Very low	29.7	Very low	172 Å²	172	145.5 Å²	145.5	80%	0.804	76%	0.755	S	S	*	*	S	Bend	trans	-92.8	6.2	-171.1	-60.8	-173.1	132	0	0	115.1
871	M	27.9	Very low	29.8	Very low	145 Å²	145	151.3 Å²	151.3	71%	0.714	77%	0.766	S	S	*	*	S	Bend	trans	-134.4	71.1	-179.5	-79.6	-147.7	-56.6	0	0	114.6
872	L	28.8	Very low	29.9	Very low	105 Å²	105	147.3 Å²	147.3	55%	0.55	76%	0.763	S	S	.	*	S	Bend	trans	-157.7	-4.5	146	-138.2	50.5	0	0	0	117.3	V806 H874	V806-L872 HydrophobicContact CB-CD1 4.06Å; V806-L872 HydrophobicContact CB-CD2 4Å; V806-L872 HydrophobicContact CB-CG 4.21Å; V806-L872 HydrophobicContact CG1-CD1 4.1Å; V806-L872 HydrophobicContact CG1-CG 4.49Å; V806-L872 HydrophobicContact CG2-CD1 4.36Å; V806-L872 HydrophobicContact CG2-CD2 3.63Å; V806-L872 HydrophobicContact CG2-CG 3.95Å; L872-H874 PolarHBondContact O-N 2.71Å
873	Y	31.1	Very low	30.1	Very low	220 Å²	220	146.8 Å²	146.8	86%	0.863	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	28.8	-172.1	-122.9	-82.9	0	0	0	115.9
874	H	31.1	Very low	30.2	Very low	179 Å²	179	145.5 Å²	145.5	83%	0.829	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.5	22.8	-158.7	-138.7	-66.8	0	0	0	117.2	L872	L872-H874 PolarHBondContact O-N 2.71Å
875	H	28.3	Very low	30.5	Very low	105 Å²	105	150.7 Å²	150.7	49%	0.486	78%	0.776	S	S	.	*	S	Bend	trans	-129.7	22.3	-175.6	-145.4	68.8	0	0	0	117.2
876	V	32.7	Very low	30.2	Very low	143 Å²	143	148.7 Å²	148.7	87%	0.867	78%	0.778	S	S	*	*	S	Bend	trans	-130.2	40.1	171.1	-159	0	0	0	0	112
877	H	30.6	Very low	30.3	Very low	162 Å²	162	145.1 Å²	145.1	75%	0.75	79%	0.785	S	S	*	*			trans	-144.1	85	176.3	-90.6	-65.5	0	0	0	112.5
878	R	25.5	Very low	30.4	Very low	249 Å²	249	144.8 Å²	144.8	94%	0.94	79%	0.793	S	S	*	*			trans	175.3	101.6	147.6	-103.5	173.1	179.5	179.4	1.2	110.9
879	L	29.1	Very low	30.4	Very low	166 Å²	166	145.3 Å²	145.3	87%	0.869	79%	0.793	S	S	*	*	S	Bend	trans	-162.6	150.5	145.7	-99.8	-175.8	0	0	0	108.9
880	N	29.1	Very low	30.5	Very low	114 Å²	114	141.9 Å²	141.9	61%	0.61	79%	0.787	S	S	*	*			trans	41.4	84.2	175.1	-73.7	17.5	0	0	0	118.7
881	M	27.6	Very low	30.5	Very low	191 Å²	191	138.5 Å²	138.5	94%	0.941	79%	0.789	S	S	*	*				-133.7	111.6	123.1	-81.2	-60.6	-79	0	0	108.1
882	S	31.2	Very low	30.7	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	80%	0.796	S	S	*	*			trans	-131	79.9	174.2	50.3	0	0	0	0	110
883	G	30.3	Very low	30.9	Very low	64 Å²	64	136.7 Å²	136.7	66%	0.66	81%	0.805	S	S	*	*			trans	-102.3	145.2	166.9	0	0	0	0	0	110.5
884	P	33.9	Very low	30.7	Very low	128 Å²	128	133.4 Å²	133.4	83%	0.831	80%	0.802	S	S	*	*			trans	-89	144.4	-163.3	33.8	-35.6	0	0	0	114.2
885	F	32.1	Very low	30.8	Very low	213 Å²	213	130.6 Å²	130.6	93%	0.934	80%	0.798	S	S	*	*			trans	-111.3	135.6	155.6	-100.2	-89	0	0	0	109.7
886	G	29.7	Very low	30.9	Very low	82 Å²	82	134.3 Å²	134.3	85%	0.845	82%	0.815	S	S	*	*			trans	-90.3	141.8	179.8	0	0	0	0	0	112.7
887	G	31.6	Very low	30.9	Very low	79 Å²	79	134.8 Å²	134.8	81%	0.814	81%	0.81	S	S	*	*			trans	-162.1	122.5	170.1	0	0	0	0	0	108.6
888	A	31.1	Very low	31	Very low	98 Å²	98	133.2 Å²	133.2	81%	0.81	81%	0.814	S	S	*	*			trans	-95.4	139.6	-170.5	0	0	0	0	0	112.5
889	V	34.2	Very low	31.1	Very low	138 Å²	138	125.8 Å²	125.8	84%	0.836	81%	0.806	S	S	*	*				-163.4	126.7	129.3	-97.5	0	0	0	0	112.5
890	S	33	Very low	31.2	Very low	111 Å²	111	121.6 Å²	121.6	78%	0.776	80%	0.803	S	S	*	*			trans	50.3	106.3	137.9	-54.3	0	0	0	0	123.7
891	A	31.2	Very low	31.2	Very low	102 Å²	102	122.1 Å²	122.1	84%	0.843	81%	0.806	S	S	*	*				90.3	136.5	119.2	0	0	0	0	0	122.9
892	A	33.5	Very low	31.3	Very low	103 Å²	103	119.1 Å²	119.1	85%	0.851	80%	0.798	S	S	*	*			trans	66.6	138.4	161.6	0	0	0	0	0	118.2
893	S	31.2	Very low	31	Very low	108 Å²	108	121.1 Å²	121.1	76%	0.755	79%	0.793	S	S	*	*			cis	-156.1	-177.1	-7.9	-161.6	0	0	0	0	111.5
894	L	28.7	Very low	31	Very low	152 Å²	152	124.1 Å²	124.1	80%	0.796	80%	0.798	S	S	*	*			trans	-44.6	159.2	174.3	-76.4	58.8	0	0	0	114.3
895	T	32.3	Very low	30.8	Very low	119 Å²	119	124.2 Å²	124.2	73%	0.73	80%	0.797	S	S	*	*			cis	-154.7	140.9	41.3	42.4	0	0	0	0	116.4
896	Q	31.1	Very low	30.5	Very low	183 Å²	183	118.5 Å²	118.5	86%	0.855	79%	0.788	S	S	*	*				67.7	124.8	125.9	-164	166.4	-3.4	0	0	123.2
897	M	31.7	Very low	30.4	Very low	153 Å²	153	123.9 Å²	123.9	75%	0.754	79%	0.792	S	S	*	*			trans	-93.9	172	163.4	-66.7	-102.4	-75.1	0	0	111.4
898	P	34.2	Very low	30.3	Very low	129 Å²	129	123.3 Å²	123.3	84%	0.838	79%	0.786	S	S	*	*				-141.6	161.1	102.9	38.6	-26.6	0	0	0	115.1
899	A	26.5	Very low	30.1	Very low	93 Å²	93	126.3 Å²	126.3	77%	0.769	79%	0.788	S	S	*	*			trans	-95.3	156.6	176	0	0	0	0	0	112.7
900	G	32	Very low	29.8	Very low	79 Å²	79	129.1 Å²	129.1	81%	0.814	79%	0.789	S	S	*	*			trans	-134.4	121	174.2	0	0	0	0	0	112.2
901	N	27.5	Very low	29.5	Very low	124 Å²	124	129.6 Å²	129.6	66%	0.663	79%	0.792	S	S	*	*			trans	-89.4	134.2	177.9	-71.6	-47.3	0	0	0	111.7	M1	M1-N901 HydrophobicContact SD-CB 4.47Å
902	V	30	Very low	29.4	Very low	129 Å²	129	131.1 Å²	131.1	78%	0.782	79%	0.791	S	S	*	*			trans	-139.4	136.3	151.2	-176.3	0	0	0	0	109.4
903	F	25.3	Very low	29.3	Very low	157 Å²	157	130.5 Å²	130.5	69%	0.689	77%	0.773	S	S	*	*			trans	-106.5	127.9	171.5	-104.4	-109.5	0	0	0	108.8
904	T	31	Very low	29.2	Very low	127 Å²	127	129.2 Å²	129.2	78%	0.779	76%	0.762	S	S	*	*			trans	-143.3	134.5	159.1	50.1	0	0	0	0	111.6
905	T	28.4	Very low	29.5	Very low	130 Å²	130	128.8 Å²	128.8	80%	0.798	75%	0.754	S	S	*	*			trans	-35.3	132.9	164.4	45.6	0	0	0	0	113.5
906	A	26.8	Very low	29.4	Very low	92 Å²	92	126.7 Å²	126.7	76%	0.76	74%	0.743	S	S	*	*				70	101.9	57.6	0	0	0	0	0	113.5
907	E	26.4	Very low	29.5	Very low	195 Å²	195	122.1 Å²	122.1	91%	0.911	73%	0.727	S	S	*	*			trans	-178.2	149.7	156	-96.8	-62.4	136.1	0	0	106
908	G	29.8	Very low	29.5	Very low	68 Å²	68	122.8 Å²	122.8	70%	0.701	72%	0.722	S	S	*	*			trans	75	71.5	169.3	0	0	0	0	0	119.5
909	L	27.7	Very low	29.4	Very low	161 Å²	161	121.9 Å²	121.9	84%	0.843	72%	0.719	S	S	*	*			trans	-129	60.2	169	-76.2	177.9	0	0	0	113.7
910	F	27.8	Very low	29.5	Very low	196 Å²	196	124.7 Å²	124.7	86%	0.86	72%	0.721	S	S	*	*			trans	-144.4	97.3	169	-77.4	-86.1	0	0	0	110.6
911	S	27.3	Very low	29.4	Very low	121 Å²	121	124.1 Å²	124.1	85%	0.846	72%	0.715	S	S	*	*			trans	157.7	62.2	151.7	-73.2	0	0	0	0	112.9
912	T	27.6	Very low	29.8	Very low	134 Å²	134	126 Å²	126	82%	0.822	72%	0.723	S	S	*	*			trans	-145.1	61.6	178.3	43.2	0	0	0	0	113.5
913	L	32.1	Very low	29.8	Very low	90 Å²	90	128.5 Å²	128.5	47%	0.471	73%	0.726	S	S	.	*	S	Bend	trans	-135.7	137.6	159.5	-74.5	178.4	0	0	0	109.8	F915	L913-F915 PolarHBondContact O-N 2.67Å
914	P	28.7	Very low	30.1	Very low	81 Å²	81	125.9 Å²	125.9	53%	0.526	73%	0.734	S	S	.	*			trans	-83.8	76.2	-171.4	35.4	-38.3	0	0	0	112.5	L116	L116-P914 HydrophobicContact CD1-CB 4.22Å; L116-P914 HydrophobicContact CD1-CG 3.8Å; L116-P914 HydrophobicContact CG-CG 4.42Å
915	F	35.5	Very low	30.1	Very low	143 Å²	143	123.7 Å²	123.7	63%	0.627	73%	0.728	S	S	*	*			trans	-133.3	87.3	167.6	-68.5	-66.6	0	0	0	110.6	L913 V917	L913-F915 PolarHBondContact O-N 2.67Å; F915-V917 VanDerWaalsContact C-N 3.29Å; F915-V917 PolarHBondContact O-N 2.91Å
916	P	30	Very low	30.2	Very low	76 Å²	76	126.5 Å²	126.5	49%	0.494	73%	0.732	S	S	.	*			trans	-74.4	80.9	175.2	31.3	-33.9	0	0	0	110.7	A148 Y918	A148-P916 WeakPolarHBondContact O-CG 3.4Å; P916-Y918 HydrophobicContact CB-CE2 4.25Å; P916-Y918 WeakPolarHBondContact O-CD2 3.47Å; P916-Y918 PolarHBondContact O-N 2.89Å
917	V	33	Very low	30.5	Very low	86 Å²	86	128.9 Å²	128.9	52%	0.521	74%	0.738	S	S	.	*			trans	-72.3	96	167.7	-178.3	0	0	0	0	108	F915 S919	F915-V917 VanDerWaalsContact C-N 3.29Å; F915-V917 PolarHBondContact O-N 2.91Å; V917-S919 PolarHBondContact O-N 3.12Å
918	Y	31.4	Very low	30.9	Very low	168 Å²	168	126 Å²	126	66%	0.659	73%	0.728	S	S	*	*			trans	-63.1	96.5	179.7	-79.9	-88.5	0	0	0	112	P916 N920	P916-Y918 HydrophobicContact CB-CE2 4.25Å; P916-Y918 WeakPolarHBondContact O-CD2 3.47Å; P916-Y918 PolarHBondContact O-N 2.89Å; Y918-N920 PolarHBondContact O-N 3.03Å
919	S	31.6	Very low	31.2	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	74%	0.736	S	S	*	*			trans	-87.6	87.9	166.3	62.5	0	0	0	0	110.3	V917 G921	V917-S919 PolarHBondContact O-N 3.12Å; S919-G921 PolarHBondContact O-N 3.12Å
920	N	28.8	Very low	31.4	Very low	152 Å²	152	135.3 Å²	135.3	81%	0.813	74%	0.738	S	S	*	*			trans	-70.9	68.9	165.1	-87.3	-1.7	0	0	0	110.4	Y918 I922	Y918-N920 PolarHBondContact O-N 3.03Å; N920-I922 PolarHBondContact O-N 2.73Å
921	G	31	Very low	31.8	Very low	67 Å²	67	133.6 Å²	133.6	69%	0.691	73%	0.731	S	S	*	*			trans	-74.4	98.5	170.1	0	0	0	0	0	109.9	S919	S919-G921 PolarHBondContact O-N 3.12Å
922	I	34.8	Very low	32	Very low	163 Å²	163	135.2 Å²	135.2	84%	0.836	73%	0.725	S	S	*	*			trans	-57.8	139.4	172.1	-63.3	176	0	0	0	109.1	N920 A924	N920-I922 PolarHBondContact O-N 2.73Å; I922-A924 PolarHBondContact O-N 3.37Å
923	H	29.8	Very low	32.3	Very low	183 Å²	183	140.4 Å²	140.4	85%	0.847	75%	0.748	S	S	*	*			trans	-56.7	101.6	178.4	-86.5	-97.5	0	0	0	112	A925	H923-A925 VanDerWaalsContact C-N 3.31Å; H923-A925 PolarHBondContact O-N 3.03Å
924	A	32.2	Very low	32.3	Very low	102 Å²	102	142.9 Å²	142.9	84%	0.843	76%	0.761	S	S	*	*			trans	-71	91.5	157	0	0	0	0	0	108.1	I922	I922-A924 PolarHBondContact O-N 3.37Å
925	A	32.2	Very low	32.5	Very low	80 Å²	80	146.2 Å²	146.2	66%	0.661	77%	0.774	S	S	*	*			trans	-62.4	154.7	177.5	0	0	0	0	0	111.4	H923 T927	H923-A925 VanDerWaalsContact C-N 3.31Å; H923-A925 PolarHBondContact O-N 3.03Å; A925-T927 PolarHBondContact O-N 2.98Å
926	Q	30.4	Very low	32.3	Very low	189 Å²	189	146.3 Å²	146.3	88%	0.883	78%	0.782	S	S	*	*			trans	-67.5	98.4	-175.5	-67.3	171	-23.7	0	0	112.1	L928	Q926-L928 PolarHBondContact O-N 3.43Å
927	T	32.2	Very low	32.4	Very low	142 Å²	142	150.5 Å²	150.5	87%	0.871	80%	0.799	S	S	*	*			trans	-77.5	74.3	165.7	-23	0	0	0	0	109.7	A925 E929	A925-T927 PolarHBondContact O-N 2.98Å; T927-E929 PolarHBondContact O-N 2.96Å
928	L	35.4	Very low	32.4	Very low	136 Å²	136	154.5 Å²	154.5	71%	0.712	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67.8	125.6	176.9	-173.1	148.6	0	0	0	109.8	Q926 R930	Q926-L928 PolarHBondContact O-N 3.43Å; L928-R930 PolarHBondContact O-N 3.2Å
929	E	35.9	Very low	32.5	Very low	184 Å²	184	153.6 Å²	153.6	86%	0.86	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-59.4	118.1	-177.4	-63.2	-176.8	123.4	0	0	111.2	T927	T927-E929 PolarHBondContact O-N 2.96Å
930	R	31.6	Very low	32.5	Very low	239 Å²	239	156.8 Å²	156.8	90%	0.902	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-98	119.3	163.4	-91.1	-169.3	170.6	82.7	-1.6	109.4	L928	L928-R930 PolarHBondContact O-N 3.2Å
931	K	36	Very low	32.8	Very low	161 Å²	161	157.2 Å²	157.2	70%	0.7	83%	0.833	S	S	*	*			trans	-144.3	127	171.1	179.2	173.5	173.9	178.3	0	108.8
932	E	32.2	Very low	32.9	Very low	154 Å²	154	164.7 Å²	164.7	72%	0.72	85%	0.845	S	S	*	*			trans	54.3	78.4	161.9	-67.7	158.4	-164.5	0	0	116.8
933	D	32.9	Very low	32.8	Very low	243 Å²	243	164.8 Å²	164.8	100%	1.299	85%	0.845	S	S	*	*				-165.6	0	110.9	-95.2	-18.7	0	0	0	110.5

Retrieved 933 of 933 residues in 515.6 ms (Link to these results)

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