A0A3Q0KNT4_SCHMA Loading...

DUF4139 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 844 aa.

						>A0A3Q0KNT4_SCHMA|A0A3Q0KNT4
MNCLKTIEEQLSMSENAALASPELSERHSVDYDGPLNIFYTCDCELKSVLVNLRNAVICRSTKPQVIKGTSSLLVFKRLPSNVDHDSFRVEINNHKNQYKPIEHSNNICLIESTTTTTTTTATPLTSSLLDEGSQLAYIQDVRFHINQLNEDDNKLFERYNCLLIQLRKEKRRYHYLINRYQRLFKQQNVLENFSNNLLWNVSNEIKDHDNNHDDYDNDHVNKLDYLNYFNDYTTYNNMTTISSMNGMKLPNNNSDFLMSRRHQHQQQQQQQHKIRQLHQNKSNSTMKSHRTRSLTRMKNMIKDCNVKEKNSNSNMIIQNEIIQLNQVEAMRNFFTLYTVQSQQLDEDTINVSEELEQCKITMNQLIEQLDEIELCQNHLVSKELHVLLEAHSSLNPDLEITYTVDHVSWTPSYDIRLSSSTATLKIIYYGTIRQNTGEDWEFGKLTLSTAEQDNFNDVPELKLEQLSFKNNENVVRRRQHIDKFVRNSKARSFHLDDSNDHQTVSSSLFPLKEIVTGQYHYNEYKNETYNQIDQTINDSRSRLEHSQLNGANHQRSLSSQRYYTNKNENHLTNDTDCILIHCPSTSLDSIILKQDNDSNYNSIKVGKFSTLNNLTKILKNKKNYFPSLSFEIPKPPKSIKGNGEPQRVTIGILEFKPKLQYITIPKQTPKAFLRATMHNLSEYALLEGQASVYIDNNFIGKTKLSATAVQEEFTCELGYDPGIRVTYMPKHKYKKTGTFLGNKTMSIVCKQVISVENSYPRSMKLLVIDQLPVSTEDKLKIQLIEPSIKNPDKYDPTKPIRISKTKSIEWDIELAPYESRELVLKYLVEYPSIKDIDISTLGI
					

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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	35.9	Very low	35.3	Very low	235 Å²	235	142.4 Å²	142.4	100%	1.158	73%	0.728	S	S	*	*				0	75.9	0	-73.6	-155.8	-76.8	0	0	110.3
2	N	32.7	Very low	34.9	Very low	148 Å²	148	138 Å²	138	79%	0.791	72%	0.72	S	S	*	*			trans	-160.7	19.7	170.6	-106.1	-7.3	0	0	0	113.8
3	C	32.2	Very low	34.5	Very low	111 Å²	111	140.5 Å²	140.5	75%	0.75	73%	0.729	S	S	*	*	S	Bend	trans	-125.1	10.6	178.1	-59.7	0	0	0	0	113.4
4	L	33.3	Very low	34.2	Very low	148 Å²	148	137.1 Å²	137.1	78%	0.775	72%	0.724	S	S	*	*	S	Bend	trans	-113	-6.3	177.9	-88.1	163.3	0	0	0	113.7
5	K	39.3	Very low	33.8	Very low	152 Å²	152	139.7 Å²	139.7	66%	0.661	73%	0.73	S	S	*	*	H	α-helix	trans	-89.5	-19.1	177.3	-112.9	-173.6	173.9	-166.1	0	114.5	I7	K5-I7 VanDerWaalsContact C-N 3.32Å; K5-I7 PolarHBondContact O-N 3.49Å
6	T	40.1	Very low	33.4	Very low	99 Å²	99	141.6 Å²	141.6	61%	0.607	74%	0.741	S	S	*	*	H	α-helix	trans	-84.9	-4.3	-176.6	-36.5	0	0	0	0	113.3
7	I	37.9	Very low	33.1	Very low	109 Å²	109	139.1 Å²	139.1	56%	0.559	75%	0.746	S	S	*	*	H	α-helix	trans	-100.8	-31	178.6	-63.8	176.8	0	0	0	111.1	K5 Q10 L11	K5-I7 VanDerWaalsContact C-N 3.32Å; K5-I7 PolarHBondContact O-N 3.49Å; I7-Q10 PolarHBondContact O-N 3.43Å; I7-L11 HydrophobicContact CG2-CD1 4.38Å
8	E	35.8	Very low	32.8	Very low	142 Å²	142	136.2 Å²	136.2	66%	0.664	75%	0.745	S	S	*	*	H	α-helix	trans	-73.7	-27.5	174.7	-68.3	-178.6	141.6	0	0	113	Q10	E8-Q10 VanDerWaalsContact C-N 3.33Å
9	E	34.8	Very low	32.4	Very low	139 Å²	139	138.4 Å²	138.4	65%	0.65	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-5.5	174.6	-72	178.2	166	0	0	114
10	Q	33.1	Very low	32.1	Very low	156 Å²	156	136.3 Å²	136.3	73%	0.729	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-14	171.4	-75.1	-83.1	-79.4	0	0	112.9	I7 E8	I7-Q10 PolarHBondContact O-N 3.43Å; E8-Q10 VanDerWaalsContact C-N 3.33Å
11	L	32.7	Very low	32.1	Very low	127 Å²	127	135.5 Å²	135.5	67%	0.665	76%	0.76	S	S	*	*	S	Bend	trans	-103	-2.8	-176.7	-80.7	163.9	0	0	0	114.4	I7	I7-L11 HydrophobicContact CG2-CD1 4.38Å
12	S	31.2	Very low	31.9	Very low	90 Å²	90	130 Å²	130	63%	0.629	74%	0.742	S	S	*	*	S	Bend	trans	-101.9	4.6	179.1	60.7	0	0	0	0	114.8
13	M	30.1	Very low	31.6	Very low	171 Å²	171	131 Å²	131	84%	0.842	74%	0.742	S	S	*	*	S	Bend	trans	-104.2	9	-179.7	-72	-161.6	70.3	0	0	115
14	S	29.6	Very low	31.3	Very low	93 Å²	93	134.7 Å²	134.7	65%	0.65	75%	0.753	S	S	*	*	S	Bend	trans	-112.4	2	-176.2	61.1	0	0	0	0	116.3
15	E	28.6	Very low	31	Very low	176 Å²	176	131.8 Å²	131.8	82%	0.822	75%	0.745	S	S	*	*	S	Bend	trans	-98.5	7	-173.8	-80.9	-167	147.2	0	0	116
16	N	27.3	Very low	30.4	Very low	169 Å²	169	133.2 Å²	133.2	90%	0.904	75%	0.754	S	S	*	*			trans	-136.8	67	175	-82.1	-67.7	0	0	0	113.1
17	A	28.7	Very low	29.9	Very low	99 Å²	99	136 Å²	136	82%	0.818	75%	0.753	S	S	*	*			trans	-129.1	85.6	161.5	0	0	0	0	0	109.3
18	A	26.7	Very low	29.5	Very low	88 Å²	88	139.4 Å²	139.4	73%	0.727	77%	0.767	S	S	*	*			trans	-70.8	156.2	169.5	0	0	0	0	0	110.9
19	L	26.5	Very low	29.4	Very low	177 Å²	177	136.5 Å²	136.5	93%	0.927	76%	0.762	S	S	*	*			trans	67.8	73.9	159.7	-62.6	150.6	0	0	0	117.2
20	A	25	Very low	29.5	Very low	96 Å²	96	134.8 Å²	134.8	79%	0.793	76%	0.761	S	S	*	*			trans	-156.8	107.5	148.5	0	0	0	0	0	112.5
21	S	33.2	Very low	29.8	Very low	121 Å²	121	134.6 Å²	134.6	85%	0.846	77%	0.765	S	S	*	*			trans	-81.1	138.2	141.9	-51.7	0	0	0	0	106.3
22	P	30.3	Very low	30.5	Very low	118 Å²	118	133.2 Å²	133.2	77%	0.766	75%	0.752	S	S	*	*				-134.6	179.6	73.9	27.2	-4.4	0	0	0	111.4
23	E	26.9	Very low	31.2	Very low	171 Å²	171	137.4 Å²	137.4	80%	0.799	77%	0.767	S	S	*	*			cis	-138.3	146.5	32.3	-68.5	171.9	137.5	0	0	113.3
24	L	26.6	Very low	32.4	Very low	187 Å²	187	131 Å²	131	98%	0.979	75%	0.745	S	S	*	*			trans	-120.1	91.3	166.6	-107.2	161.5	0	0	0	107.6
25	S	26.3	Very low	34	Very low	87 Å²	87	130.9 Å²	130.9	61%	0.608	74%	0.742	S	S	*	*			trans	-145.9	137.2	173.2	55.4	0	0	0	0	106.9
26	E	26.6	Very low	35.9	Very low	182 Å²	182	126.2 Å²	126.2	85%	0.85	72%	0.722	S	S	*	*			cis	-139.4	120.9	12.9	-57.6	167.2	134.1	0	0	109.7
27	R	29.1	Very low	38	Very low	157 Å²	157	120.6 Å²	120.6	59%	0.592	69%	0.692	S	S	*	*	S	Bend	trans	-145.8	113.8	154.5	-77.7	-163	176.6	166.5	2.5	108.6	S29	R27-S29 PolarHBondContact O-N 3.17Å
28	H	30.9	Very low	40.1	Very low	181 Å²	181	119.9 Å²	119.9	84%	0.838	67%	0.674	S	S	*	*			trans	-44.5	91.3	-172.3	-59.2	-73.9	0	0	0	114.8	R143	H28-R143 PolarHBondContact O-NH1 3.45Å
29	S	32.7	Very low	42.3	Very low	82 Å²	82	118.6 Å²	118.6	57%	0.573	65%	0.652	S	S	*	*			trans	-62.5	140.2	144.7	47	0	0	0	0	107.6	R27 D31	R27-S29 PolarHBondContact O-N 3.17Å; S29-D31 PolarHBondContact O-N 3.3Å
30	V	38.3	Very low	44.3	Very low	103 Å²	103	116.8 Å²	116.8	62%	0.624	63%	0.634	S	S	*	*			trans	-64.2	126.6	161.3	174.9	0	0	0	0	105.5	Y32	V30-Y32 PolarHBondContact O-N 3.45Å
31	D	39.1	Very low	46	Very low	152 Å²	152	112.7 Å²	112.7	81%	0.813	60%	0.599	S	S	*	*			trans	-59	106	178.5	-75.2	-42	0	0	0	109.1	S29	S29-D31 PolarHBondContact O-N 3.3Å
32	Y	46.8	Very low	46.9	Very low	97 Å²	97	111.8 Å²	111.8	38%	0.38	59%	0.591	S	S	.	*			trans	-103.6	93.9	-175.1	-145.5	-86.6	0	0	0	108.5	V30 G34 S71 Q140 E390	V30-Y32 PolarHBondContact O-N 3.45Å; Y32-G34 PolarHBondContact O-N 3.07Å; Y32-S71 WeakPolarHBondContact CE1-OG 3.3Å; Y32-S71 PolarHBondContact OH-OG 3.49Å; Y32-Q140 PolarHBondContact OH-NE2 2.83Å; Y32-Q140 PolarHBondContact OH-OE1 2.99Å; Y32-E390 PolarHBondContact OH-OE2 2.99Å
33	D	45	Very low	48	Very low	179 Å²	179	112.3 Å²	112.3	96%	0.957	59%	0.588	S	S	*	*			trans	-69.7	75.3	175.5	-91.1	-32.3	0	0	0	110.7
34	G	56.6	Low	50.4	Low	36 Å²	36	105 Å²	105	37%	0.371	56%	0.555	S	S	.	*	S	Bend	trans	-171.6	160.8	178.2	0	0	0	0	0	113.4	Y32 L36	Y32-G34 PolarHBondContact O-N 3.07Å; G34-L36 PolarHBondContact O-N 3.21Å
35	P	62	Low	53	Low	91 Å²	91	103.3 Å²	103.3	59%	0.591	54%	0.542	S	S	*	.			trans	-64.8	106.6	175.7	26.8	-34.2	0	0	0	111	T70	P35-T70 HydrophobicContact CB-CG2 4.43Å; P35-T70 HydrophobicContact CG-CG2 3.97Å; P35-T70 WeakPolarHBondContact O-CB 3.17Å
36	L	69.3	Low	55.8	Low	78 Å²	78	100 Å²	100	41%	0.408	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119	177.1	-172.8	72.7	0	0	0	110.8	G34 I38 S71 L73 L388	G34-L36 PolarHBondContact O-N 3.21Å; L36-I38 HydrophobicContact CD2-CD1 4.49Å; L36-I38 HydrophobicContact CD2-CG1 4.25Å; L36-I38 HydrophobicContact CG-CG1 4.4Å; L36-S71 WeakPolarHBondContact CA-O 3.38Å; L36-L73 HydrophobicContact CD1-CB 4.21Å; L36-L73 HydrophobicContact CG-CB 4.46Å; L36-L388 HydrophobicContact CD1-CD1 3.73Å
37	N	72.4	Confident	58.7	Low	50 Å²	50	94.7 Å²	94.7	27%	0.267	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.3	173.2	-70.5	-57.7	0	0	0	110.2	F39 T70 S71 S72 L73	N37-F39 HydrophobicContact CB-CD2 4.35Å; N37-F39 HydrophobicContact CB-CE2 3.57Å; N37-F39 HydrophobicContact CB-CZ 4.06Å; N37-T70 WeakPolarHBondContact ND2-CB 3.43Å; N37-T70 PolarHBondContact ND2-OG1 3.08Å; N37-S71 PolarHBondContact N-O 2.86Å; N37-S72 CarbonylContact O-C 3.47Å; N37-S72 VanDerWaalsContact O-CA 3.3Å; N37-S72 WeakPolarHBondContact O-CA 3.48Å; N37-L73 PolarHBondContact O-N 2.91Å
38	I	72.7	Confident	61.6	Low	85 Å²	85	88.9 Å²	88.9	44%	0.436	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.9	179.6	-54.8	177.6	0	0	0	110.1	L36 Y40 L73 V75	L36-I38 HydrophobicContact CD2-CD1 4.49Å; L36-I38 HydrophobicContact CD2-CG1 4.25Å; L36-I38 HydrophobicContact CG-CG1 4.4Å; I38-Y40 HydrophobicContact CG2-CD2 4.43Å; I38-Y40 HydrophobicContact CG2-CE1 4.32Å; I38-Y40 HydrophobicContact CG2-CE2 3.89Å; I38-L73 WeakPolarHBondContact CA-O 3.4Å; I38-L73 HydrophobicContact CG1-CB 4.43Å; I38-L73 HydrophobicContact CG1-CD2 4.4Å; I38-V75 HydrophobicContact CG2-CG2 4.25Å
39	F	72.2	Confident	64.5	Low	61 Å²	61	80.4 Å²	80.4	27%	0.268	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112	177.3	-62.7	-84.4	0	0	0	110.1	N37 Q65 L73 L74 V75	N37-F39 HydrophobicContact CB-CD2 4.35Å; N37-F39 HydrophobicContact CB-CE2 3.57Å; N37-F39 HydrophobicContact CB-CZ 4.06Å; F39-Q65 WeakPolarHBondContact CZ-O 3.39Å; F39-L73 PolarHBondContact N-O 3.44Å; F39-L74 HydrophobicContact CB-CD1 3.78Å; F39-L74 HydrophobicContact CB-CG 4.19Å; F39-L74 HydrophobicContact CD2-CD1 4.01Å; F39-L74 HydrophobicContact CG-CD1 4.19Å; F39-L74 CarbonylContact O-C 3.59Å; F39-L74 WeakPolarHBondContact O-CA 3.46Å; F39-V75 PolarHBondContact O-N 2.74Å
40	Y	67.4	Low	67.4	Low	138 Å²	138	79.1 Å²	79.1	54%	0.541	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.7	171.3	-65	-74.5	0	0	0	109.8	I38 C42 V75 K77	I38-Y40 HydrophobicContact CG2-CD2 4.43Å; I38-Y40 HydrophobicContact CG2-CE1 4.32Å; I38-Y40 HydrophobicContact CG2-CE2 3.89Å; Y40-C42 PolarHBondContact O-N 3.48Å; Y40-V75 HydrophobicContact CD1-CB 3.75Å; Y40-V75 HydrophobicContact CD1-CG1 3.97Å; Y40-V75 HydrophobicContact CD1-CG2 4.36Å; Y40-V75 HydrophobicContact CE1-CB 4.02Å; Y40-V75 HydrophobicContact CE1-CG1 4.08Å; Y40-V75 HydrophobicContact CE1-CG2 4.2Å; Y40-K77 HydrophobicContact CD1-CD 4.2Å
41	T	62.2	Low	69.9	Low	11 Å²	11	74.2 Å²	74.2	7%	0.067	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	97.8	-178.2	60.8	0	0	0	0	110.7	D43 L74 V75 F76	T41-D43 VanDerWaalsContact C-N 3.29Å; T41-L74 HydrophobicContact CG2-CD2 3.63Å; T41-L74 HydrophobicContact CG2-CG 3.71Å; T41-V75 PolarHBondContact N-O 2.77Å; T41-V75 PolarHBondContact OG1-O 3.04Å; T41-F76 HydrophobicContact CG2-CE1 4.35Å; T41-F76 HydrophobicContact CG2-CZ 4.23Å; T41-F76 WeakPolarHBondContact OG1-CA 3.29Å; T41-F76 WeakPolarHBondContact OG1-CD1 3.39Å; T41-F76 VanDerWaalsContact OG1-CE1 3.28Å; T41-F76 WeakPolarHBondContact OG1-CE1 3.39Å; T41-F76 WeakPolarHBondContact OG1-CG 3.24Å
42	C	52.2	Low	72.3	Confident	101 Å²	101	67.1 Å²	67.1	68%	0.682	36%	0.355	S	S	*	.			trans	-77.8	-23.7	157.2	-57.4	0	0	0	0	110.9	Y40 C44	Y40-C42 PolarHBondContact O-N 3.48Å; C42-C44 PolarHBondContact O-N 3.5Å
43	D	52.6	Low	73.9	Confident	130 Å²	130	65.2 Å²	65.2	70%	0.695	35%	0.351	S	S	*	.			trans	-100.6	55.2	-156.6	-46.4	-33.8	0	0	0	111.6	T41 T62	T41-D43 VanDerWaalsContact C-N 3.29Å; D43-T62 PolarHBondContact O-OG1 2.85Å
44	C	76.7	Confident	75.3	Confident	17 Å²	17	62.6 Å²	62.6	12%	0.115	33%	0.328	C	S	.	.			trans	-104.6	102.8	-176.8	-41.3	0	0	0	0	108.8	C42 L46 R60 F76	C42-C44 PolarHBondContact O-N 3.5Å; C44-L46 PolarHBondContact O-N 3.26Å; C44-R60 HydrophobicContact CB-CB 4.27Å; C44-F76 HydrophobicContact CB-CE1 4.35Å; C44-F76 WeakPolarHBondContact SG-CD1 3.25Å; C44-F76 WeakPolarHBondContact SG-CE1 3.47Å
45	E	81.6	Confident	76.7	Confident	151 Å²	151	62 Å²	62	71%	0.706	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.1	179.2	-70.3	-171.2	161.1	0	0	110.4	K47 R60 S61	E45-K47 PolarHBondContact O-N 3.46Å; E45-K47 VanDerWaalsContact O-N 3.15Å; E45-R60 CarbonylContact O-C 3.57Å; E45-R60 VanDerWaalsContact O-CA 3.23Å; E45-R60 WeakPolarHBondContact O-CA 3.32Å; E45-S61 PolarHBondContact N-O 3.37Å; E45-S61 PolarHBondContact O-N 2.91Å
46	L	85.8	Confident	78	Confident	19 Å²	19	57.7 Å²	57.7	10%	0.099	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	96.3	-179	-169.7	147.6	0	0	0	109.1	C44 V49 I58 R60 E439 F443	C44-L46 PolarHBondContact O-N 3.26Å; L46-V49 HydrophobicContact CD2-CG2 3.54Å; L46-I58 HydrophobicContact CD1-CG2 3.73Å; L46-I58 HydrophobicContact CG-CG2 4.01Å; L46-R60 HydrophobicContact CB-CG 4.35Å; L46-R60 HydrophobicContact CG-CG 4.37Å; L46-E439 VanDerWaalsContact CD1-OE1 3.28Å; L46-E439 WeakPolarHBondContact CD1-OE1 3.43Å; L46-F443 HydrophobicContact CD2-CB 3.71Å; L46-F443 HydrophobicContact CD2-CD1 4.24Å; L46-F443 HydrophobicContact CD2-CG 4.44Å
47	K	87	Confident	78.9	Confident	69 Å²	69	55.2 Å²	55.2	30%	0.3	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-48.9	-171.9	-108.1	-176.8	-176.1	161.4	0	111.7	E45 C59 S61 D398 E400 K445	E45-K47 PolarHBondContact O-N 3.46Å; E45-K47 VanDerWaalsContact O-N 3.15Å; K47-C59 PolarHBondContact N-O 3.3Å; K47-S61 VanDerWaalsContact CE-CB 3.47Å; K47-S61 WeakPolarHBondContact CE-OG 3.46Å; K47-D398 IonicContact NZ-OD1 3.25Å; K47-D398 PolarHBondContact NZ-OD1 2.8Å; K47-D398 VanDerWaalsContact NZ-OD1 3.14Å; K47-D398 IonicContact NZ-OD2 2.74Å; K47-D398 PolarHBondContact NZ-OD2 3.17Å; K47-E400 HydrophobicContact CD-CG 4.38Å; K47-E400 WeakPolarHBondContact CD-OE1 3.35Å; K47-E400 WeakPolarHBondContact CE-OE1 3.46Å; K47-E400 IonicContact NZ-OE1 3.1Å; K47-E400 PolarHBondContact NZ-OE1 2.97Å; K47-K445 PolarHBondContact O-N 2.88Å
48	S	90.7	Very high	79.7	Confident	36 Å²	36	52.8 Å²	52.8	25%	0.252	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154.4	-177.7	68	0	0	0	0	113.8	C59 K445	S48-C59 PolarHBondContact N-O 3.17Å; S48-C59 PolarHBondContact O-N 3.49Å; S48-K445 VanDerWaalsContact CA-O 3.31Å; S48-K445 WeakPolarHBondContact CA-O 3.39Å
49	V	92	Very high	80.4	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.5	170.4	-171.3	0	0	0	0	110	L46 V51 A56 V57 I58 W441 K445 L446 T447	L46-V49 HydrophobicContact CD2-CG2 3.54Å; V49-V51 HydrophobicContact CG1-CG2 3.78Å; V49-A56 HydrophobicContact CG1-CB 3.98Å; V49-V57 WeakPolarHBondContact CA-O 3.05Å; V49-I58 HydrophobicContact CG1-CG1 4.34Å; V49-I58 HydrophobicContact CG2-CG1 4.48Å; V49-W441 HydrophobicContact CG1-CE3 4.12Å; V49-W441 HydrophobicContact CG1-CH2 3.9Å; V49-W441 HydrophobicContact CG1-CZ2 4.37Å; V49-W441 HydrophobicContact CG1-CZ3 3.79Å; V49-W441 HydrophobicContact CG2-CD2 4.32Å; V49-W441 HydrophobicContact CG2-CE3 4.31Å; V49-K445 PolarHBondContact N-O 3.34Å; V49-K445 VanDerWaalsContact N-O 3.16Å; V49-L446 HydrophobicContact CB-CD1 4.1Å; V49-L446 CarbonylContact O-C 3.53Å; V49-L446 WeakPolarHBondContact O-CA 3.27Å; V49-T447 PolarHBondContact O-N 2.9Å
50	L	92.3	Very high	81.2	Confident	55 Å²	55	48.2 Å²	48.2	29%	0.288	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	108	166.8	174.7	66.4	0	0	0	108.6	A56 V57 T447	L50-A56 CarbonylContact O-C 3.45Å; L50-A56 VanDerWaalsContact O-CA 3.22Å; L50-A56 WeakPolarHBondContact O-CA 3.4Å; L50-V57 HydrophobicContact CB-CB 4.14Å; L50-V57 HydrophobicContact CB-CG2 4.37Å; L50-V57 HydrophobicContact CD2-CG2 4.14Å; L50-V57 PolarHBondContact N-O 2.92Å; L50-V57 PolarHBondContact O-N 2.83Å; L50-T447 CarbonylContact C-O 3.52Å; L50-T447 WeakPolarHBondContact CA-O 3.24Å; L50-T447 HydrophobicContact CD1-CG2 3.53Å
51	V	92.3	Very high	82.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113	179.7	-179.9	0	0	0	0	109.9	V49 A56 V408 W410 I433 W441 L446 T447 L448 S449	V49-V51 HydrophobicContact CG1-CG2 3.78Å; V51-A56 HydrophobicContact CG2-CB 4.26Å; V51-V408 HydrophobicContact CB-CG1 4.46Å; V51-V408 HydrophobicContact CG1-CG1 3.45Å; V51-V408 VanDerWaalsContact CG1-CG1 3.45Å; V51-V408 HydrophobicContact CG2-CG1 4.33Å; V51-W410 HydrophobicContact CG1-CB 4.24Å; V51-W410 HydrophobicContact CG1-CG 4.43Å; V51-W410 PolarHBondContact O-NE1 3.02Å; V51-I433 HydrophobicContact CG1-CG2 4.49Å; V51-W441 HydrophobicContact CG2-CH2 4.2Å; V51-W441 HydrophobicContact CG2-CZ3 3.85Å; V51-L446 HydrophobicContact CG2-CD1 3.94Å; V51-T447 PolarHBondContact N-O 3.44Å; V51-L448 HydrophobicContact CB-CD2 3.78Å; V51-L448 HydrophobicContact CG1-CD2 4.36Å; V51-L448 HydrophobicContact CG2-CD2 4.25Å; V51-L448 CarbonylContact O-C 3.55Å; V51-L448 WeakPolarHBondContact O-CA 3.31Å; V51-S449 PolarHBondContact O-N 2.91Å
52	N	88.1	Confident	83.3	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.016	22%	0.219	C	C	.	.			trans	-88.8	-175.6	172.2	-59.1	-34.7	0	0	0	110.4	R54 N55 S449 A451 Q453	N52-R54 VanDerWaalsContact C-N 3.34Å; N52-R54 PolarHBondContact O-N 2.72Å; N52-N55 CarbonylContact C-O 3.5Å; N52-N55 WeakPolarHBondContact CA-O 3.44Å; N52-N55 WeakPolarHBondContact CB-O 3.25Å; N52-N55 VanDerWaalsContact CB-OD1 3.23Å; N52-N55 WeakPolarHBondContact CB-OD1 3.16Å; N52-N55 PolarHBondContact N-O 2.94Å; N52-N55 PolarHBondContact ND2-OD1 3.35Å; N52-S449 WeakPolarHBondContact CA-O 3.48Å; N52-A451 WeakPolarHBondContact CB-O 3.46Å; N52-Q453 PolarHBondContact ND2-OE1 2.7Å
53	L	80.4	Confident	84.9	Confident	58 Å²	58	43.2 Å²	43.2	30%	0.304	21%	0.212	S	C	.	.	S	Bend	trans	-70	-25.2	-178.8	-68.3	173.5	0	0	0	114.5	S409 E452	L53-S409 WeakPolarHBondContact O-CA 3.5Å; L53-S409 VanDerWaalsContact O-CB 3.3Å; L53-S409 WeakPolarHBondContact O-CB 3.26Å; L53-E452 HydrophobicContact CB-CG 4.35Å; L53-E452 HydrophobicContact CD1-CG 4.01Å
54	R	75.9	Confident	86.3	Confident	123 Å²	123	37.6 Å²	37.6	46%	0.464	18%	0.182	S	C	.	.	S	Bend	trans	-129.3	-14	-176.6	-56.1	-172.5	-163.6	161.2	9.2	115.5	N52 V408 E452 D454	N52-R54 VanDerWaalsContact C-N 3.34Å; N52-R54 PolarHBondContact O-N 2.72Å; R54-V408 CarbonylContact C-O 3.59Å; R54-V408 WeakPolarHBondContact CA-O 3.34Å; R54-V408 VanDerWaalsContact O-O 3.11Å; R54-E452 IonicContact CZ-OE1 3.66Å; R54-E452 IonicContact CZ-OE2 3.57Å; R54-E452 IonicContact NE-OE1 3.94Å; R54-E452 PolarHBondContact NE-OE1 3.41Å; R54-E452 IonicContact NH2-OE1 2.75Å; R54-E452 PolarHBondContact NH2-OE1 2.91Å; R54-E452 IonicContact NH2-OE2 3.65Å; R54-E452 PolarHBondContact NH2-OE2 3.16Å; R54-D454 IonicContact CZ-OD1 3.2Å; R54-D454 IonicContact CZ-OD2 3.38Å; R54-D454 VanDerWaalsContact CZ-OD2 3.31Å; R54-D454 IonicContact NH1-OD1 3.56Å; R54-D454 PolarHBondContact NH1-OD1 3.49Å; R54-D454 IonicContact NH1-OD2 2.72Å; R54-D454 PolarHBondContact NH1-OD2 3.06Å; R54-D454 IonicContact NH2-OD2 2.66Å; R54-D454 PolarHBondContact NH2-OD2 2.88Å
55	N	85.5	Confident	86.5	Confident	25 Å²	25	42.9 Å²	42.9	13%	0.134	21%	0.205	C	C	.	.			trans	-146.7	172.1	-177.6	66.3	-8.7	0	0	0	110.3	N52 V405 V408 Q453	N52-N55 CarbonylContact C-O 3.5Å; N52-N55 WeakPolarHBondContact CA-O 3.44Å; N52-N55 WeakPolarHBondContact CB-O 3.25Å; N52-N55 VanDerWaalsContact CB-OD1 3.23Å; N52-N55 WeakPolarHBondContact CB-OD1 3.16Å; N52-N55 PolarHBondContact N-O 2.94Å; N52-N55 PolarHBondContact ND2-OD1 3.35Å; N55-V405 CarbonylContact C-O 3.59Å; N55-V405 WeakPolarHBondContact CA-O 3.44Å; N55-V405 VanDerWaalsContact CB-O 3.23Å; N55-V405 WeakPolarHBondContact CB-O 3.18Å; N55-V408 PolarHBondContact N-O 3.3Å; N55-Q453 PolarHBondContact ND2-OE1 2.71Å
56	A	88.3	Confident	86.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.2	168.4	0	0	0	0	0	110.8	V49 L50 V51 T404 V405 V408 W441	V49-A56 HydrophobicContact CG1-CB 3.98Å; L50-A56 CarbonylContact O-C 3.45Å; L50-A56 VanDerWaalsContact O-CA 3.22Å; L50-A56 WeakPolarHBondContact O-CA 3.4Å; V51-A56 HydrophobicContact CG2-CB 4.26Å; A56-T404 CarbonylContact O-C 3.54Å; A56-T404 VanDerWaalsContact O-CA 3.24Å; A56-T404 WeakPolarHBondContact O-CA 3.46Å; A56-V405 HydrophobicContact CB-CG2 4.01Å; A56-V405 PolarHBondContact N-O 2.97Å; A56-V405 PolarHBondContact O-N 3.43Å; A56-V408 HydrophobicContact CB-CB 4.06Å; A56-V408 HydrophobicContact CB-CG1 4.07Å; A56-V408 HydrophobicContact CB-CG2 3.8Å; A56-W441 HydrophobicContact CB-CH2 3.71Å; A56-W441 HydrophobicContact CB-CZ2 4.11Å
57	V	88.9	Confident	85.9	Confident	25 Å²	25	38.6 Å²	38.6	15%	0.152	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.6	169.3	-164	0	0	0	0	107.6	V49 L50 T402 Y403 T404	V49-V57 WeakPolarHBondContact CA-O 3.05Å; L50-V57 HydrophobicContact CB-CB 4.14Å; L50-V57 HydrophobicContact CB-CG2 4.37Å; L50-V57 HydrophobicContact CD2-CG2 4.14Å; L50-V57 PolarHBondContact N-O 2.92Å; L50-V57 PolarHBondContact O-N 2.83Å; V57-T402 HydrophobicContact CG1-CG2 3.33Å; V57-Y403 CarbonylContact C-O 3.57Å; V57-Y403 WeakPolarHBondContact CA-O 3.42Å; V57-T404 HydrophobicContact CB-CG2 4.47Å; V57-T404 HydrophobicContact CG1-CG2 4.32Å; V57-T404 HydrophobicContact CG2-CG2 4.08Å
58	I	88.3	Confident	85.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.5	178.8	-62.9	178	0	0	0	108.1	L46 V49 R60 T402 Y403 V405 W441	L46-I58 HydrophobicContact CD1-CG2 3.73Å; L46-I58 HydrophobicContact CG-CG2 4.01Å; V49-I58 HydrophobicContact CG1-CG1 4.34Å; V49-I58 HydrophobicContact CG2-CG1 4.48Å; I58-R60 HydrophobicContact CG2-CG 4.01Å; I58-T402 VanDerWaalsContact O-CA 3.29Å; I58-T402 WeakPolarHBondContact O-CA 3.24Å; I58-Y403 HydrophobicContact CB-CD2 4.19Å; I58-Y403 HydrophobicContact CB-CE1 4.41Å; I58-Y403 HydrophobicContact CB-CE2 3.75Å; I58-Y403 HydrophobicContact CD1-CE2 3.86Å; I58-Y403 HydrophobicContact CG1-CE2 4.26Å; I58-Y403 HydrophobicContact CG2-CE1 4.17Å; I58-Y403 HydrophobicContact CG2-CE2 4.11Å; I58-Y403 PolarHBondContact N-O 3.37Å; I58-Y403 PolarHBondContact O-N 2.93Å; I58-V405 HydrophobicContact CD1-CG1 4.14Å; I58-V405 HydrophobicContact CD1-CG2 3.68Å; I58-V405 HydrophobicContact CG1-CG2 4.16Å; I58-W441 HydrophobicContact CD1-CZ2 3.96Å; I58-W441 HydrophobicContact CG1-CZ2 4.44Å
59	C	88.7	Confident	84.4	Confident	13 Å²	13	43.1 Å²	43.1	9%	0.088	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.2	170	172.3	0	0	0	0	109.8	K47 S48 I401	K47-C59 PolarHBondContact N-O 3.3Å; S48-C59 PolarHBondContact N-O 3.17Å; S48-C59 PolarHBondContact O-N 3.49Å; C59-I401 CarbonylContact C-O 3.53Å; C59-I401 WeakPolarHBondContact CA-O 3.43Å
60	R	88.1	Confident	83.6	Confident	36 Å²	36	43.9 Å²	43.9	14%	0.136	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	153.4	172.5	-55.1	-156.9	-171.3	174.2	15.1	110.8	C44 E45 L46 I58 E400 I401 Y403 E439	C44-R60 HydrophobicContact CB-CB 4.27Å; E45-R60 CarbonylContact O-C 3.57Å; E45-R60 VanDerWaalsContact O-CA 3.23Å; E45-R60 WeakPolarHBondContact O-CA 3.32Å; L46-R60 HydrophobicContact CB-CG 4.35Å; L46-R60 HydrophobicContact CG-CG 4.37Å; I58-R60 HydrophobicContact CG2-CG 4.01Å; R60-E400 CarbonylContact O-C 3.54Å; R60-E400 WeakPolarHBondContact O-CA 3.49Å; R60-I401 PolarHBondContact N-O 3.43Å; R60-I401 PolarHBondContact O-N 3.28Å; R60-Y403 HydrophobicContact CG-CE1 4.32Å; R60-Y403 PolarHBondContact NE-OH 3.26Å; R60-Y403 PolarHBondContact NH2-OH 3.43Å; R60-E439 IonicContact CZ-OE1 2.99Å; R60-E439 IonicContact CZ-OE2 3.38Å; R60-E439 IonicContact NE-OE1 3.77Å; R60-E439 IonicContact NH2-OE1 3.87Å; R60-E439 PolarHBondContact NH2-OE1 3.05Å; R60-E439 IonicContact NH2-OE2 3Å; R60-E439 PolarHBondContact NH2-OE2 2.96Å
61	S	87.2	Confident	83	Confident	10 Å²	10	41.5 Å²	41.5	7%	0.07	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.6	177.3	127.4	0	0	0	0	110.8	E45 K47 D398 L399	E45-S61 PolarHBondContact N-O 3.37Å; E45-S61 PolarHBondContact O-N 2.91Å; K47-S61 VanDerWaalsContact CE-CB 3.47Å; K47-S61 WeakPolarHBondContact CE-OG 3.46Å; S61-D398 PolarHBondContact OG-OD1 2.89Å; S61-L399 WeakPolarHBondContact CA-O 3.25Å
62	T	86.8	Confident	82.6	Confident	14 Å²	14	41.5 Å²	41.5	9%	0.086	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.8	170.9	-170.6	0	0	0	0	111.2	D43 P64 L74 F76 L399	D43-T62 PolarHBondContact O-OG1 2.85Å; T62-P64 WeakPolarHBondContact O-CD 3.48Å; T62-L74 HydrophobicContact CG2-CD2 4.1Å; T62-F76 HydrophobicContact CG2-CE1 3.8Å; T62-F76 HydrophobicContact CG2-CZ 3.63Å; T62-L399 HydrophobicContact CG2-CB 4.3Å; T62-L399 HydrophobicContact CG2-CD2 4.38Å; T62-L399 PolarHBondContact N-O 3.22Å; T62-L399 PolarHBondContact O-N 3.47Å
63	K	86.6	Confident	82.4	Confident	122 Å²	122	42.9 Å²	42.9	53%	0.53	22%	0.219	S	C	.	.			trans	-124.4	70.2	-173.7	-73.3	177.4	178.7	171.9	0	111.2	P397 D398	K63-P397 WeakPolarHBondContact CA-O 3.43Å; K63-D398 WeakPolarHBondContact CE-OD2 3.49Å; K63-D398 HydrophobicContact CG-CB 4.5Å; K63-D398 IonicContact NZ-OD2 3.05Å; K63-D398 PolarHBondContact NZ-OD2 3.17Å
64	P	80.6	Confident	82.7	Confident	11 Å²	11	40.1 Å²	40.1	7%	0.071	20%	0.204	C	C	.	.			trans	-63.9	146.1	-177.9	27.5	-35.4	0	0	0	111.6	T62 V66 L74 L389 N396 P397	T62-P64 WeakPolarHBondContact O-CD 3.48Å; P64-V66 HydrophobicContact CG-CG2 4.4Å; P64-V66 PolarHBondContact O-N 3.27Å; P64-L74 HydrophobicContact CB-CD1 3.45Å; P64-L74 VanDerWaalsContact CB-CD1 3.45Å; P64-L74 HydrophobicContact CB-CD2 3.74Å; P64-L74 HydrophobicContact CB-CG 4.13Å; P64-L74 HydrophobicContact CG-CD1 4.02Å; P64-L74 HydrophobicContact CG-CD2 3.72Å; P64-L389 HydrophobicContact CG-CD1 3.89Å; P64-N396 WeakPolarHBondContact O-CA 3.33Å; P64-P397 HydrophobicContact CG-CG 4.34Å; P64-P397 WeakPolarHBondContact O-CD 3.45Å
65	Q	81.3	Confident	83	Confident	128 Å²	128	34.3 Å²	34.3	60%	0.598	18%	0.183	S	C	*	.			trans	-85.1	98.8	172.9	-61.4	-164.1	-4.7	0	0	109.6	F39	F39-Q65 WeakPolarHBondContact CZ-O 3.39Å
66	V	79.2	Confident	82.9	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-88.3	129.1	177.5	-169	0	0	0	0	108.9	P64 L389 A391 S394 L395 P397	P64-V66 HydrophobicContact CG-CG2 4.4Å; P64-V66 PolarHBondContact O-N 3.27Å; V66-L389 HydrophobicContact CG2-CB 4.45Å; V66-L389 HydrophobicContact CG2-CD1 4Å; V66-A391 HydrophobicContact CB-CB 4.21Å; V66-A391 HydrophobicContact CG1-CB 3.53Å; V66-S394 CarbonylContact O-C 3.52Å; V66-S394 WeakPolarHBondContact O-CA 3.43Å; V66-L395 PolarHBondContact N-O 3.15Å; V66-L395 PolarHBondContact O-N 3.5Å; V66-P397 HydrophobicContact CG2-CG 4.03Å
67	I	75.4	Confident	82.2	Confident	79 Å²	79	37.8 Å²	37.8	41%	0.405	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-96.4	135.3	-177.8	-60.5	173	0	0	0	109.8	G69 T70	I67-G69 PolarHBondContact O-N 2.94Å; I67-T70 HydrophobicContact CB-CG2 4.47Å; I67-T70 WeakPolarHBondContact CB-OG1 3.33Å; I67-T70 HydrophobicContact CG2-CG2 4.22Å; I67-T70 PolarHBondContact O-N 3.15Å; I67-T70 PolarHBondContact O-OG1 3.05Å
68	K	76.2	Confident	81.3	Confident	138 Å²	138	45.3 Å²	45.3	60%	0.6	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	126.9	178.7	-178	170.9	-178.1	171.5	0	112	T70 H392 S394	K68-T70 VanDerWaalsContact C-N 3.27Å; K68-T70 PolarHBondContact O-N 3.01Å; K68-H392 WeakPolarHBondContact CE-O 3.47Å; K68-S394 WeakPolarHBondContact CB-OG 3.08Å; K68-S394 PolarHBondContact N-OG 2.93Å
69	G	71	Confident	80.8	Confident	61 Å²	61	45.8 Å²	45.8	63%	0.629	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	20.6	172.2	0	0	0	0	0	114.4	I67 A391	I67-G69 PolarHBondContact O-N 2.94Å; G69-A391 PolarHBondContact N-O 3.34Å
70	T	74.2	Confident	80.1	Confident	18 Å²	18	45.6 Å²	45.6	11%	0.11	22%	0.223	C	C	.	.	S	Bend	trans	-125.9	144.2	170.9	67.4	0	0	0	0	109.3	P35 N37 I67 K68	P35-T70 HydrophobicContact CB-CG2 4.43Å; P35-T70 HydrophobicContact CG-CG2 3.97Å; P35-T70 WeakPolarHBondContact O-CB 3.17Å; N37-T70 WeakPolarHBondContact ND2-CB 3.43Å; N37-T70 PolarHBondContact ND2-OG1 3.08Å; I67-T70 HydrophobicContact CB-CG2 4.47Å; I67-T70 WeakPolarHBondContact CB-OG1 3.33Å; I67-T70 HydrophobicContact CG2-CG2 4.22Å; I67-T70 PolarHBondContact O-N 3.15Å; I67-T70 PolarHBondContact O-OG1 3.05Å; K68-T70 VanDerWaalsContact C-N 3.27Å; K68-T70 PolarHBondContact O-N 3.01Å
71	S	80.6	Confident	79.2	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.5	166.3	-59	0	0	0	0	109	Y32 L36 N37 L389	Y32-S71 WeakPolarHBondContact CE1-OG 3.3Å; Y32-S71 PolarHBondContact OH-OG 3.49Å; L36-S71 WeakPolarHBondContact CA-O 3.38Å; N37-S71 PolarHBondContact N-O 2.86Å; S71-L389 CarbonylContact C-O 3.6Å; S71-L389 WeakPolarHBondContact CA-O 3.49Å
72	S	83.7	Confident	78.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111.6	-177.5	-64.8	0	0	0	0	109.5	N37 L389	N37-S72 CarbonylContact O-C 3.47Å; N37-S72 VanDerWaalsContact O-CA 3.3Å; N37-S72 WeakPolarHBondContact O-CA 3.48Å; S72-L389 PolarHBondContact N-O 3.02Å; S72-L389 PolarHBondContact O-N 3.31Å
73	L	84.9	Confident	78.3	Confident	31 Å²	31	48 Å²	48	16%	0.162	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.1	176.2	179.9	64.1	0	0	0	109.7	L36 N37 I38 F39 V75 H386 L388	L36-L73 HydrophobicContact CD1-CB 4.21Å; L36-L73 HydrophobicContact CG-CB 4.46Å; N37-L73 PolarHBondContact O-N 2.91Å; I38-L73 WeakPolarHBondContact CA-O 3.4Å; I38-L73 HydrophobicContact CG1-CB 4.43Å; I38-L73 HydrophobicContact CG1-CD2 4.4Å; F39-L73 PolarHBondContact N-O 3.44Å; L73-V75 HydrophobicContact CD2-CG2 4.17Å; L73-V75 HydrophobicContact CG-CG2 4Å; L73-H386 HydrophobicContact CD1-CB 4.07Å; L73-L388 HydrophobicContact CB-CD1 4.17Å; L73-L388 HydrophobicContact CD1-CD1 4.38Å
74	L	84.8	Confident	77.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.4	170.3	-105.8	72.9	0	0	0	110.7	F39 T41 T62 P64 F76 H386 V387 L389 L399	F39-L74 HydrophobicContact CB-CD1 3.78Å; F39-L74 HydrophobicContact CB-CG 4.19Å; F39-L74 HydrophobicContact CD2-CD1 4.01Å; F39-L74 HydrophobicContact CG-CD1 4.19Å; F39-L74 CarbonylContact O-C 3.59Å; F39-L74 WeakPolarHBondContact O-CA 3.46Å; T41-L74 HydrophobicContact CG2-CD2 3.63Å; T41-L74 HydrophobicContact CG2-CG 3.71Å; T62-L74 HydrophobicContact CG2-CD2 4.1Å; P64-L74 HydrophobicContact CB-CD1 3.45Å; P64-L74 VanDerWaalsContact CB-CD1 3.45Å; P64-L74 HydrophobicContact CB-CD2 3.74Å; P64-L74 HydrophobicContact CB-CG 4.13Å; P64-L74 HydrophobicContact CG-CD1 4.02Å; P64-L74 HydrophobicContact CG-CD2 3.72Å; L74-F76 HydrophobicContact CB-CE2 3.87Å; L74-F76 HydrophobicContact CD2-CE2 3.87Å; L74-F76 HydrophobicContact CD2-CZ 3.72Å; L74-F76 HydrophobicContact CG-CE2 4.43Å; L74-H386 CarbonylContact O-C 3.59Å; L74-H386 WeakPolarHBondContact O-CA 3.21Å; L74-V387 HydrophobicContact CB-CB 4.24Å; L74-V387 PolarHBondContact N-O 2.99Å; L74-V387 PolarHBondContact O-N 2.85Å; L74-L389 HydrophobicContact CD1-CD1 4.15Å; L74-L399 HydrophobicContact CD2-CD2 3.92Å
75	V	83.7	Confident	77.3	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	103.6	179	-177.2	0	0	0	0	110.2	I38 F39 Y40 T41 L73 K77 E384 H386	I38-V75 HydrophobicContact CG2-CG2 4.25Å; F39-V75 PolarHBondContact O-N 2.74Å; Y40-V75 HydrophobicContact CD1-CB 3.75Å; Y40-V75 HydrophobicContact CD1-CG1 3.97Å; Y40-V75 HydrophobicContact CD1-CG2 4.36Å; Y40-V75 HydrophobicContact CE1-CB 4.02Å; Y40-V75 HydrophobicContact CE1-CG1 4.08Å; Y40-V75 HydrophobicContact CE1-CG2 4.2Å; T41-V75 PolarHBondContact N-O 2.77Å; T41-V75 PolarHBondContact OG1-O 3.04Å; L73-V75 HydrophobicContact CD2-CG2 4.17Å; L73-V75 HydrophobicContact CG-CG2 4Å; V75-K77 HydrophobicContact CG1-CD 4.47Å; V75-K77 HydrophobicContact CG1-CG 3.92Å; V75-E384 WeakPolarHBondContact CG1-OE2 3.31Å; V75-H386 WeakPolarHBondContact CG1-NE2 2.94Å
76	F	82.2	Confident	76.8	Confident	11 Å²	11	49.7 Å²	49.7	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	115	172.5	-64.4	-94.8	0	0	0	109.1	T41 C44 T62 L74 E384 L385 V387 L399 I401	T41-F76 HydrophobicContact CG2-CE1 4.35Å; T41-F76 HydrophobicContact CG2-CZ 4.23Å; T41-F76 WeakPolarHBondContact OG1-CA 3.29Å; T41-F76 WeakPolarHBondContact OG1-CD1 3.39Å; T41-F76 VanDerWaalsContact OG1-CE1 3.28Å; T41-F76 WeakPolarHBondContact OG1-CE1 3.39Å; T41-F76 WeakPolarHBondContact OG1-CG 3.24Å; C44-F76 HydrophobicContact CB-CE1 4.35Å; C44-F76 WeakPolarHBondContact SG-CD1 3.25Å; C44-F76 WeakPolarHBondContact SG-CE1 3.47Å; T62-F76 HydrophobicContact CG2-CE1 3.8Å; T62-F76 HydrophobicContact CG2-CZ 3.63Å; L74-F76 HydrophobicContact CB-CE2 3.87Å; L74-F76 HydrophobicContact CD2-CE2 3.87Å; L74-F76 HydrophobicContact CD2-CZ 3.72Å; L74-F76 HydrophobicContact CG-CE2 4.43Å; F76-E384 WeakPolarHBondContact O-CA 3.5Å; F76-L385 HydrophobicContact CB-CB 4.08Å; F76-L385 HydrophobicContact CD2-CB 4.33Å; F76-L385 HydrophobicContact CD2-CD2 4.43Å; F76-L385 WeakPolarHBondContact CD2-O 3.43Å; F76-L385 PolarHBondContact N-O 2.94Å; F76-L385 PolarHBondContact O-N 3.43Å; F76-L385 VanDerWaalsContact O-N 3.07Å; F76-V387 HydrophobicContact CD2-CG2 4.22Å; F76-V387 HydrophobicContact CE2-CB 4.43Å; F76-V387 HydrophobicContact CE2-CG2 3.93Å; F76-L399 HydrophobicContact CE2-CD2 4.28Å; F76-L399 HydrophobicContact CZ-CD2 4.02Å; F76-I401 HydrophobicContact CD1-CD1 3.86Å; F76-I401 HydrophobicContact CD2-CD1 3.81Å; F76-I401 HydrophobicContact CE1-CD1 3.33Å; F76-I401 HydrophobicContact CE2-CD1 3.27Å; F76-I401 HydrophobicContact CG-CD1 4.11Å; F76-I401 HydrophobicContact CZ-CD1 3.03Å; F76-I401 HydrophobicContact CZ-CG1 4.43Å
77	K	75.1	Confident	76.7	Confident	87 Å²	87	50.8 Å²	50.8	38%	0.378	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	162.9	177.9	-62.3	-166.4	167.2	-179.7	0	111.2	Y40 V75 L79 E384	Y40-K77 HydrophobicContact CD1-CD 4.2Å; V75-K77 HydrophobicContact CG1-CD 4.47Å; V75-K77 HydrophobicContact CG1-CG 3.92Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-L79 PolarHBondContact O-N 2.81Å; K77-E384 VanDerWaalsContact CE-OE1 3.24Å; K77-E384 WeakPolarHBondContact CE-OE1 3.38Å; K77-E384 HydrophobicContact CG-CG 4.18Å; K77-E384 IonicContact NZ-OE1 3.54Å
78	R	69.2	Low	77	Confident	182 Å²	182	48.9 Å²	48.9	69%	0.687	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.1	40.6	178.5	-51.3	176.3	179.6	166.7	-0.9	113.1
79	L	77	Confident	77.2	Confident	11 Å²	11	49 Å²	49	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	145.5	165.2	-65.7	162.7	0	0	0	108.8	K77 S81 F88 F144 K383 L385 Y403	K77-L79 VanDerWaalsContact C-N 3.34Å; K77-L79 PolarHBondContact O-N 2.81Å; L79-S81 PolarHBondContact O-N 3.22Å; L79-F88 HydrophobicContact CD1-CE1 4.21Å; L79-F88 HydrophobicContact CD1-CZ 3.89Å; L79-F88 HydrophobicContact CD2-CE1 4.33Å; L79-F88 HydrophobicContact CD2-CZ 4.46Å; L79-F144 HydrophobicContact CD1-CE2 4.29Å; L79-K383 HydrophobicContact CB-CB 3.92Å; L79-K383 WeakPolarHBondContact CB-O 3.34Å; L79-K383 PolarHBondContact N-O 3.46Å; L79-L385 HydrophobicContact CD1-CB 3.8Å; L79-Y403 HydrophobicContact CD2-CE1 4.11Å
80	P	74.7	Confident	77.8	Confident	8 Å²	8	47.2 Å²	47.2	5%	0.052	23%	0.229	C	C	.	.			trans	-50.5	139.1	179.9	-31	37.7	0	0	0	112.4	N82 V83 K383 Y403 V405 E439	P80-N82 VanDerWaalsContact CB-OD1 3.32Å; P80-N82 WeakPolarHBondContact CB-OD1 3.37Å; P80-N82 PolarHBondContact O-N 3.36Å; P80-V83 WeakPolarHBondContact O-CB 3.49Å; P80-V83 PolarHBondContact O-N 2.87Å; P80-K383 WeakPolarHBondContact O-CD 3.3Å; P80-Y403 HydrophobicContact CG-CE2 4.46Å; P80-V405 HydrophobicContact CB-CG1 3.92Å; P80-V405 HydrophobicContact CG-CG1 3.97Å; P80-E439 HydrophobicContact CG-CB 4.25Å; P80-E439 WeakPolarHBondContact CG-OE2 3.3Å
81	S	70	Confident	78.2	Confident	82 Å²	82	49.5 Å²	49.5	57%	0.573	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.3	179.8	60.3	0	0	0	0	112.2	L79 K383	L79-S81 PolarHBondContact O-N 3.22Å; S81-K383 WeakPolarHBondContact O-CE 3.45Å; S81-K383 PolarHBondContact O-NZ 2.79Å
82	N	74.3	Confident	78.3	Confident	25 Å²	25	50.8 Å²	50.8	13%	0.134	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	18	-178.5	80.8	-38.3	0	0	0	114.7	P80 D406	P80-N82 VanDerWaalsContact CB-OD1 3.32Å; P80-N82 WeakPolarHBondContact CB-OD1 3.37Å; P80-N82 PolarHBondContact O-N 3.36Å; N82-D406 VanDerWaalsContact CB-OD1 3.25Å; N82-D406 WeakPolarHBondContact CB-OD1 3.34Å; N82-D406 VanDerWaalsContact ND2-C 3.34Å; N82-D406 PolarHBondContact ND2-O 3.49Å; N82-D406 PolarHBondContact ND2-OD1 3.09Å; N82-D406 PolarHBondContact O-N 3.46Å
83	V	80.2	Confident	77.9	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.03	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-57.3	136.6	165.1	118.5	0	0	0	0	110	P80 H85 F88 F144 K383 Y403 T404 V405	P80-V83 WeakPolarHBondContact O-CB 3.49Å; P80-V83 PolarHBondContact O-N 2.87Å; V83-H85 PolarHBondContact O-N 2.93Å; V83-F88 HydrophobicContact CB-CZ 4.48Å; V83-F88 HydrophobicContact CG1-CE2 3.55Å; V83-F88 HydrophobicContact CG1-CZ 3.59Å; V83-F88 HydrophobicContact CG2-CZ 4Å; V83-F144 HydrophobicContact CG1-CE2 3.81Å; V83-F144 HydrophobicContact CG1-CZ 3.82Å; V83-K383 HydrophobicContact CB-CD 4.37Å; V83-K383 HydrophobicContact CG1-CD 4.06Å; V83-K383 PolarHBondContact O-NZ 3.41Å; V83-Y403 HydrophobicContact CG2-CD2 3.21Å; V83-Y403 HydrophobicContact CG2-CE2 3.58Å; V83-Y403 HydrophobicContact CG2-CG 3.92Å; V83-T404 WeakPolarHBondContact CA-O 3.43Å; V83-V405 HydrophobicContact CB-CG1 4.49Å; V83-V405 HydrophobicContact CG2-CG1 3.85Å
84	D	75.1	Confident	76.6	Confident	66 Å²	66	55.2 Å²	55.2	35%	0.353	27%	0.269	S	S	.	.			trans	-79.3	118.7	165.8	-178.9	6.6	0	0	0	109.5	D86 S87 T404	D84-D86 VanDerWaalsContact C-N 3.26Å; D84-D86 PolarHBondContact O-N 3.25Å; D84-D86 PolarHBondContact OD1-N 3.27Å; D84-D86 VanDerWaalsContact OD1-N 3.09Å; D84-S87 WeakPolarHBondContact O-CB 3.41Å; D84-S87 PolarHBondContact O-N 3.46Å; D84-S87 PolarHBondContact O-OG 2.91Å; D84-T404 PolarHBondContact N-O 3.31Å
85	H	70.1	Confident	74.7	Confident	97 Å²	97	61.1 Å²	61.1	45%	0.449	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.6	-179.6	61.6	-22.9	0	0	0	114.9	V83 S87 F144	V83-H85 PolarHBondContact O-N 2.93Å; H85-S87 VanDerWaalsContact C-N 3.33Å; H85-F144 HydrophobicContact CB-CD1 3.57Å; H85-F144 HydrophobicContact CB-CE1 3.43Å; H85-F144 VanDerWaalsContact CB-CE1 3.43Å; H85-F144 HydrophobicContact CB-CG 4.36Å; H85-F144 HydrophobicContact CB-CZ 4.14Å
86	D	71	Confident	72.3	Confident	132 Å²	132	68.8 Å²	68.8	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.5	-177.4	-65.5	-31.8	0	0	0	112.2	D84	D84-D86 VanDerWaalsContact C-N 3.26Å; D84-D86 PolarHBondContact O-N 3.25Å; D84-D86 PolarHBondContact OD1-N 3.27Å; D84-D86 VanDerWaalsContact OD1-N 3.09Å
87	S	77.1	Confident	69.7	Low	26 Å²	26	76 Å²	76	18%	0.182	37%	0.369	C	S	.	.			trans	-96.1	-0.8	-170.3	75.5	0	0	0	0	115.5	D84 H85 T404	D84-S87 WeakPolarHBondContact O-CB 3.41Å; D84-S87 PolarHBondContact O-N 3.46Å; D84-S87 PolarHBondContact O-OG 2.91Å; H85-S87 VanDerWaalsContact C-N 3.33Å; S87-T404 WeakPolarHBondContact CB-OG1 3.36Å; S87-T404 PolarHBondContact OG-N 3.17Å; S87-T404 PolarHBondContact OG-OG1 3.2Å
88	F	81.8	Confident	67.3	Low	39 Å²	39	79.6 Å²	79.6	17%	0.171	39%	0.387	C	S	.	.			trans	-72.4	129.8	-174.7	-76.8	-81.8	0	0	0	112.8	L79 V83 F144 L385 I401 T402 Y403	L79-F88 HydrophobicContact CD1-CE1 4.21Å; L79-F88 HydrophobicContact CD1-CZ 3.89Å; L79-F88 HydrophobicContact CD2-CE1 4.33Å; L79-F88 HydrophobicContact CD2-CZ 4.46Å; V83-F88 HydrophobicContact CB-CZ 4.48Å; V83-F88 HydrophobicContact CG1-CE2 3.55Å; V83-F88 HydrophobicContact CG1-CZ 3.59Å; V83-F88 HydrophobicContact CG2-CZ 4Å; F88-F144 HydrophobicContact CD2-CD2 4.11Å; F88-F144 AromaticContact CE2-CD2 3.47Å; F88-F144 HydrophobicContact CE2-CD2 3.47Å; F88-F144 VanDerWaalsContact CE2-CD2 3.47Å; F88-F144 AromaticContact CE2-CE2 3.5Å; F88-F144 HydrophobicContact CE2-CE2 3.5Å; F88-F144 HydrophobicContact CE2-CG 4.35Å; F88-F144 HydrophobicContact CE2-CZ 4.38Å; F88-F144 HydrophobicContact CZ-CD2 4.05Å; F88-F144 AromaticContact CZ-CE2 3.89Å; F88-F144 HydrophobicContact CZ-CE2 3.89Å; F88-L385 HydrophobicContact CB-CD1 4.33Å; F88-L385 HydrophobicContact CD1-CD1 3.87Å; F88-L385 HydrophobicContact CD1-CD2 3.74Å; F88-L385 HydrophobicContact CD1-CG 4.35Å; F88-L385 HydrophobicContact CD2-CD1 4.21Å; F88-L385 HydrophobicContact CE1-CD1 4.24Å; F88-L385 HydrophobicContact CE1-CD2 4.09Å; F88-L385 HydrophobicContact CG-CD1 3.86Å; F88-L385 HydrophobicContact CG-CD2 4.47Å; F88-I401 HydrophobicContact CD1-CG2 4.16Å; F88-I401 HydrophobicContact CE1-CG2 4.49Å; F88-T402 WeakPolarHBondContact CA-O 3.49Å; F88-Y403 HydrophobicContact CD1-CD1 4.33Å; F88-Y403 HydrophobicContact CD1-CG 4.39Å; F88-Y403 AromaticContact CE1-CD1 3.8Å; F88-Y403 HydrophobicContact CE1-CD1 3.8Å; F88-Y403 AromaticContact CE1-CG 3.85Å; F88-Y403 HydrophobicContact CE1-CG 3.85Å; F88-Y403 HydrophobicContact CZ-CG 4.34Å
89	R	80.9	Confident	65.2	Low	141 Å²	141	81.9 Å²	81.9	53%	0.532	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.4	170.6	-173	171.3	-177.9	-106.9	-2.3	108.8	E91 I401 T402	R89-E91 HydrophobicContact CG-CG 4.4Å; R89-E91 IonicContact CZ-OE1 3.81Å; R89-E91 IonicContact CZ-OE2 2.64Å; R89-E91 VanDerWaalsContact CZ-OE2 3.29Å; R89-E91 IonicContact NE-OE1 3.69Å; R89-E91 IonicContact NH1-OE1 3.73Å; R89-E91 PolarHBondContact NH1-OE1 3.31Å; R89-E91 IonicContact NH1-OE2 3.1Å; R89-E91 PolarHBondContact NH1-OE2 3.4Å; R89-E91 VanDerWaalsContact NH2-CD 3.34Å; R89-E91 IonicContact NH2-OE1 2.98Å; R89-E91 PolarHBondContact NH2-OE1 2.85Å; R89-E91 IonicContact NH2-OE2 3.82Å; R89-I401 WeakPolarHBondContact O-CA 3.42Å; R89-T402 PolarHBondContact N-O 3.31Å; R89-T402 PolarHBondContact O-N 3.23Å
90	V	84.1	Confident	62.6	Low	23 Å²	23	89.8 Å²	89.8	14%	0.139	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.7	-177.7	-172.5	0	0	0	0	108.7	I139 V142 L385 V387 L399 E400 I401	V90-I139 HydrophobicContact CB-CD1 3.92Å; V90-I139 HydrophobicContact CG1-CD1 3.63Å; V90-I139 WeakPolarHBondContact O-CD1 3.26Å; V90-V142 HydrophobicContact CB-CG2 4.45Å; V90-V142 HydrophobicContact CG2-CG1 4.05Å; V90-V142 HydrophobicContact CG2-CG2 4.16Å; V90-L385 HydrophobicContact CG2-CD2 4.13Å; V90-V387 HydrophobicContact CG1-CG1 4.18Å; V90-V387 HydrophobicContact CG1-CG2 4.42Å; V90-V387 HydrophobicContact CG2-CG2 4.32Å; V90-L399 HydrophobicContact CG1-CD1 3.66Å; V90-L399 HydrophobicContact CG1-CD2 4.26Å; V90-L399 HydrophobicContact CG1-CG 4.01Å; V90-E400 CarbonylContact C-O 3.55Å; V90-E400 WeakPolarHBondContact CA-O 3.31Å; V90-I401 HydrophobicContact CG1-CG1 4.01Å; V90-I401 HydrophobicContact CG2-CG1 4.19Å
91	E	82.3	Confident	60.1	Low	65 Å²	65	95.6 Å²	95.6	30%	0.304	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.1	-177.4	-59.2	-164.9	111.1	0	0	111.2	R89 L399 E400	R89-E91 HydrophobicContact CG-CG 4.4Å; R89-E91 IonicContact CZ-OE1 3.81Å; R89-E91 IonicContact CZ-OE2 2.64Å; R89-E91 VanDerWaalsContact CZ-OE2 3.29Å; R89-E91 IonicContact NE-OE1 3.69Å; R89-E91 IonicContact NH1-OE1 3.73Å; R89-E91 PolarHBondContact NH1-OE1 3.31Å; R89-E91 IonicContact NH1-OE2 3.1Å; R89-E91 PolarHBondContact NH1-OE2 3.4Å; R89-E91 VanDerWaalsContact NH2-CD 3.34Å; R89-E91 IonicContact NH2-OE1 2.98Å; R89-E91 PolarHBondContact NH2-OE1 2.85Å; R89-E91 IonicContact NH2-OE2 3.82Å; E91-L399 WeakPolarHBondContact O-CA 3.5Å; E91-E400 PolarHBondContact N-O 3.31Å; E91-E400 PolarHBondContact O-N 3.39Å
92	I	82.8	Confident	57.9	Low	34 Å²	34	98.8 Å²	98.8	17%	0.174	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	106.6	172.5	-67	172.4	0	0	0	108.6	N94 A137 I139 L389 P397 L399	I92-N94 PolarHBondContact O-N 2.98Å; I92-N94 VanDerWaalsContact O-N 3.13Å; I92-A137 HydrophobicContact CD1-CB 4.14Å; I92-A137 WeakPolarHBondContact CD1-O 3.34Å; I92-I139 HydrophobicContact CD1-CG1 3.73Å; I92-I139 HydrophobicContact CG1-CD1 4.34Å; I92-I139 HydrophobicContact CG1-CG1 4.08Å; I92-L389 HydrophobicContact CD1-CD2 4.05Å; I92-P397 HydrophobicContact CG2-CB 3.8Å; I92-L399 HydrophobicContact CG1-CD1 3.64Å
93	N	75.4	Confident	55.4	Low	52 Å²	52	105 Å²	105	28%	0.278	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	87.6	177.3	-79.3	-24.8	0	0	0	110.9	H95 D398 E400	N93-H95 VanDerWaalsContact C-N 3.34Å; N93-H95 PolarHBondContact O-N 3.43Å; N93-D398 HydrophobicContact CB-CB 4.19Å; N93-D398 PolarHBondContact N-O 3.19Å; N93-E400 PolarHBondContact ND2-OE1 3.37Å; N93-E400 PolarHBondContact ND2-OE2 2.93Å
94	N	56.7	Low	52.8	Low	71 Å²	71	113 Å²	113	38%	0.38	54%	0.542	S	S	.	.			trans	-70.4	87.6	170.5	-76.9	-25.5	0	0	0	110.9	I92 K96 L136	I92-N94 PolarHBondContact O-N 2.98Å; I92-N94 VanDerWaalsContact O-N 3.13Å; N94-K96 PolarHBondContact O-N 2.9Å; N94-L136 WeakPolarHBondContact ND2-CD2 3.47Å
95	H	45	Very low	50.4	Low	125 Å²	125	115.1 Å²	115.1	58%	0.579	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	69.7	176.3	-90	-73.2	0	0	0	113.3	N93	N93-H95 VanDerWaalsContact C-N 3.34Å; N93-H95 PolarHBondContact O-N 3.43Å
96	K	33.6	Very low	48.1	Very low	163 Å²	163	117.7 Å²	117.7	71%	0.709	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.4	-10.1	163.2	-88	-172.2	175.4	168.4	0	115.8	N94	N94-K96 PolarHBondContact O-N 2.9Å
97	N	27.9	Very low	45.9	Very low	163 Å²	163	118.1 Å²	118.1	87%	0.872	58%	0.582	S	S	*	*			trans	-112.5	72.7	175.7	-79.5	-18.2	0	0	0	112.8
98	Q	25.2	Very low	43.4	Very low	162 Å²	162	123.9 Å²	123.9	76%	0.757	61%	0.609	S	S	*	*			trans	-118.7	68.7	159.3	-79.2	-168.8	-8.4	0	0	110.5
99	Y	24.1	Very low	40.5	Very low	230 Å²	230	127.1 Å²	127.1	90%	0.902	64%	0.635	S	S	*	*			trans	-146	71.7	166.1	-98.8	-70.8	0	0	0	112.1
100	K	22.9	Very low	37.6	Very low	176 Å²	176	127.7 Å²	127.7	77%	0.765	65%	0.648	S	S	*	*			trans	159.3	124.6	132.3	-91	174.5	177.1	-179.2	0	110.6	I102	K100-I102 HydrophobicContact CB-CG1 4.45Å
101	P	21.4	Very low	34.7	Very low	130 Å²	130	133.4 Å²	133.4	84%	0.844	68%	0.676	S	S	*	*			trans	-69.2	128	152.3	31.1	-29.4	0	0	0	107.6
102	I	24.7	Very low	31.8	Very low	149 Å²	149	138.6 Å²	138.6	76%	0.764	70%	0.701	S	S	*	*			trans	-107.1	124.5	164.4	-66.2	179.8	0	0	0	106.2	K100	K100-I102 HydrophobicContact CB-CG1 4.45Å
103	E	21.8	Very low	28.9	Very low	157 Å²	157	142.4 Å²	142.4	73%	0.734	73%	0.73	S	S	*	*			trans	-70.5	167.8	176.5	-60.6	178.2	132.6	0	0	111.1
104	H	25.1	Very low	26.4	Very low	172 Å²	172	146.5 Å²	146.5	80%	0.796	76%	0.757	S	S	*	*			trans	78.2	134.5	-179	-38.9	-56	0	0	0	114.7
105	S	23.8	Very low	24.7	Very low	110 Å²	110	149.6 Å²	149.6	77%	0.769	78%	0.779	S	S	*	*			cis	-163.1	152.3	-7.3	43.1	0	0	0	0	110.2	N107	S105-N107 PolarHBondContact O-N 2.86Å
106	N	21.8	Very low	23.6	Very low	152 Å²	152	150.5 Å²	150.5	81%	0.813	79%	0.793	S	S	*	*			trans	-50.8	133.2	170.4	-61.4	-33.3	0	0	0	112.1
107	N	25.7	Very low	23	Very low	141 Å²	141	149.2 Å²	149.2	75%	0.754	80%	0.799	S	S	*	*			trans	-173.5	118.5	135.6	-93.6	-23.7	0	0	0	114	S105	S105-N107 PolarHBondContact O-N 2.86Å
108	I	23.8	Very low	22.8	Very low	147 Å²	147	148.1 Å²	148.1	75%	0.754	80%	0.799	S	S	*	*				58.7	107.7	128.3	-54.6	171.4	0	0	0	120.1
109	C	21.3	Very low	22.6	Very low	106 Å²	106	147.1 Å²	147.1	72%	0.716	80%	0.804	S	S	*	*			trans	29.2	132.3	131.1	-78.1	0	0	0	0	123.9
110	L	21.1	Very low	22.6	Very low	154 Å²	154	142.1 Å²	142.1	81%	0.806	80%	0.798	S	S	*	*			trans	63.7	125.6	131.8	-59.5	168.4	0	0	0	120.1
111	I	23	Very low	22.6	Very low	143 Å²	143	139.9 Å²	139.9	73%	0.733	80%	0.799	S	S	*	*				-175.3	127.3	104.8	-94.8	166.6	0	0	0	112.3
112	E	21.7	Very low	22.7	Very low	174 Å²	174	138.4 Å²	138.4	81%	0.813	80%	0.798	S	S	*	*			trans	52.8	137.5	144.7	-61.9	166.6	-170.7	0	0	124.3
113	S	21.1	Very low	22.8	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	80%	0.8	S	S	*	*			trans	-89.3	143.8	164	46.9	0	0	0	0	111.3
114	T	22.3	Very low	22.9	Very low	138 Å²	138	136.1 Å²	136.1	85%	0.847	80%	0.804	S	S	*	*			trans	-137.4	131.5	157.2	47.6	0	0	0	0	110.3
115	T	21.3	Very low	22.9	Very low	135 Å²	135	136.3 Å²	136.3	83%	0.828	81%	0.81	S	S	*	*			trans	-79.3	144.5	172.3	41.4	0	0	0	0	111.1
116	T	22.5	Very low	23	Very low	145 Å²	145	137.2 Å²	137.2	89%	0.89	81%	0.811	S	S	*	*			trans	-164.2	140.6	143.9	7.5	0	0	0	0	110.5
117	T	21.1	Very low	23.1	Very low	135 Å²	135	135.7 Å²	135.7	83%	0.828	81%	0.812	S	S	*	*			trans	-93.1	130.8	179.3	34.3	0	0	0	0	111.3
118	T	23.1	Very low	23.1	Very low	141 Å²	141	134.1 Å²	134.1	87%	0.865	81%	0.812	S	S	*	*			trans	-154.6	133.3	147.6	37.4	0	0	0	0	111.4
119	T	21.5	Very low	23.2	Very low	140 Å²	140	135.6 Å²	135.6	86%	0.859	82%	0.821	S	S	*	*			trans	-86.2	122.3	175.1	31.4	0	0	0	0	111.9
120	T	24	Very low	23.4	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	83%	0.826	S	S	*	*			trans	-157.7	117	151.4	2.2	0	0	0	0	113.9
121	T	23.4	Very low	23.8	Very low	128 Å²	128	137.3 Å²	137.3	79%	0.785	82%	0.823	S	S	*	*			trans	29.8	109.2	142.7	57.2	0	0	0	0	121.3
122	A	22.1	Very low	24	Very low	100 Å²	100	140.1 Å²	140.1	83%	0.826	83%	0.832	S	S	*	*			trans	-4.8	128.1	146.6	0	0	0	0	0	120.9
123	T	26.5	Very low	24.4	Very low	133 Å²	133	135 Å²	135	82%	0.816	83%	0.827	S	S	*	*			trans	-144.4	140.8	130.3	37.4	0	0	0	0	109.1
124	P	25.4	Very low	25.5	Very low	124 Å²	124	133 Å²	133	81%	0.805	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-82.1	129	-179.8	31.9	-32.4	0	0	0	111.1
125	L	25.5	Very low	26.9	Very low	176 Å²	176	130.7 Å²	130.7	92%	0.921	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-77	129.2	170.6	-90.1	163.8	0	0	0	110.5
126	T	25	Very low	28.9	Very low	129 Å²	129	128.3 Å²	128.3	79%	0.791	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-61.9	139.1	-177.8	41.9	0	0	0	0	113.2	S128	T126-S128 PolarHBondContact O-N 2.72Å
127	S	24	Very low	31.4	Very low	121 Å²	121	121.6 Å²	121.6	85%	0.846	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-48.6	125.7	175.4	52.1	0	0	0	0	114.7
128	S	26.2	Very low	34.4	Very low	107 Å²	107	119.3 Å²	119.3	75%	0.748	71%	0.71	S	S	*	*			trans	-107.3	100	159.7	59.9	0	0	0	0	110.2	T126 L130	T126-S128 PolarHBondContact O-N 2.72Å; S128-L130 PolarHBondContact O-N 3.39Å
129	L	26.2	Very low	37.3	Very low	179 Å²	179	115.3 Å²	115.3	94%	0.937	68%	0.683	S	S	*	*			trans	24.5	81.3	156.8	-69.9	160.2	0	0	0	116.3
130	L	25.6	Very low	40.1	Very low	160 Å²	160	112 Å²	112	84%	0.838	66%	0.658	S	S	*	*			trans	-109.8	147	158.1	-81.8	164.6	0	0	0	108.8	S128 E132	S128-L130 PolarHBondContact O-N 3.39Å; L130-E132 PolarHBondContact O-N 3.49Å; L130-E132 VanDerWaalsContact O-N 3.12Å
131	D	28.6	Very low	42.8	Very low	136 Å²	136	108.4 Å²	108.4	73%	0.727	63%	0.634	S	S	*	*			trans	-56.4	105.9	-169.9	-168.7	31.9	0	0	0	113.3	G133	D131-G133 PolarHBondContact O-N 2.82Å
132	E	27.4	Very low	45.6	Very low	201 Å²	201	105.1 Å²	105.1	94%	0.939	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	71.7	-179.2	-70.2	-168.8	156.9	0	0	112.1	L130	L130-E132 PolarHBondContact O-N 3.49Å; L130-E132 VanDerWaalsContact O-N 3.12Å
133	G	30.7	Very low	48.4	Very low	67 Å²	67	103.8 Å²	103.8	69%	0.691	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-175	-11.2	177.1	0	0	0	0	0	116.1	D131 Q135	D131-G133 PolarHBondContact O-N 2.82Å; G133-Q135 PolarHBondContact O-N 2.88Å
134	S	43	Very low	50.7	Low	72 Å²	72	99.7 Å²	99.7	50%	0.503	56%	0.558	S	S	.	*			trans	-87.8	101.8	-176.7	52.3	0	0	0	0	112.6	L136	S134-L136 WeakPolarHBondContact O-CG 3.33Å; S134-L136 PolarHBondContact O-N 3.36Å
135	Q	51.2	Low	52.9	Low	89 Å²	89	96 Å²	96	42%	0.416	53%	0.53	S	S	.	.			trans	-17.8	94.5	158.4	-69.4	173.1	-68.7	0	0	115	G133 L395	G133-Q135 PolarHBondContact O-N 2.88Å; Q135-L395 HydrophobicContact CB-CD2 3.91Å; Q135-L395 HydrophobicContact CG-CD2 4.3Å
136	L	64	Low	54.8	Low	86 Å²	86	91.4 Å²	91.4	45%	0.45	51%	0.505	S	S	.	.			trans	-122.5	109.5	176.8	-80.3	157	0	0	0	110.4	N94 S134 H392	N94-L136 WeakPolarHBondContact ND2-CD2 3.47Å; S134-L136 WeakPolarHBondContact O-CG 3.33Å; S134-L136 PolarHBondContact O-N 3.36Å; L136-H392 PolarHBondContact O-N 3.42Å
137	A	75.6	Confident	56.6	Low	4 Å²	4	88.7 Å²	88.7	3%	0.033	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	148.5	146.9	0	0	0	0	0	108.5	I92 E390 A391 L395 P397	I92-A137 HydrophobicContact CD1-CB 4.14Å; I92-A137 WeakPolarHBondContact CD1-O 3.34Å; A137-E390 CarbonylContact C-O 3.52Å; A137-E390 WeakPolarHBondContact CA-O 3.49Å; A137-A391 HydrophobicContact CB-CB 3.88Å; A137-L395 HydrophobicContact CB-CD1 3.63Å; A137-P397 HydrophobicContact CB-CB 4.49Å; A137-P397 HydrophobicContact CB-CG 4.2Å
138	Y	82.8	Confident	57.6	Low	87 Å²	87	90.4 Å²	90.4	34%	0.341	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155.5	174.1	64.3	-82.7	0	0	0	110.6	E390 H392	Y138-E390 HydrophobicContact CD1-CB 4.42Å; Y138-E390 WeakPolarHBondContact CD1-O 3.39Å; Y138-E390 HydrophobicContact CE1-CB 3.83Å; Y138-E390 HydrophobicContact CE1-CG 4.28Å; Y138-E390 HydrophobicContact CE2-CB 4.27Å; Y138-E390 PolarHBondContact N-O 3.15Å; Y138-E390 PolarHBondContact O-N 2.81Å; Y138-E390 PolarHBondContact OH-OE1 3.37Å; Y138-E390 PolarHBondContact OH-OE2 3.49Å; Y138-H392 AromaticContact CE1-CE1 3.72Å; Y138-H392 AromaticContact CE1-NE2 3.71Å
139	I	84	Confident	58.7	Low	57 Å²	57	87.2 Å²	87.2	29%	0.292	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123	176.8	-55.5	171.8	0	0	0	107.2	V90 I92 V142 V387 L389	V90-I139 HydrophobicContact CB-CD1 3.92Å; V90-I139 HydrophobicContact CG1-CD1 3.63Å; V90-I139 WeakPolarHBondContact O-CD1 3.26Å; I92-I139 HydrophobicContact CD1-CG1 3.73Å; I92-I139 HydrophobicContact CG1-CD1 4.34Å; I92-I139 HydrophobicContact CG1-CG1 4.08Å; I139-V142 HydrophobicContact CG2-CG2 3.5Å; I139-V387 HydrophobicContact CG2-CG1 4.3Å; I139-L389 HydrophobicContact CG1-CD2 3.97Å
140	Q	81.5	Confident	60.1	Low	70 Å²	70	84.3 Å²	84.3	33%	0.327	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-37.8	-178.8	-174.5	170.9	44.4	0	0	112	Y32 L388 E390	Y32-Q140 PolarHBondContact OH-NE2 2.83Å; Y32-Q140 PolarHBondContact OH-OE1 2.99Å; Q140-L388 HydrophobicContact CB-CB 4.37Å; Q140-L388 HydrophobicContact CB-CD2 4.27Å; Q140-L388 HydrophobicContact CB-CG 4.19Å; Q140-L388 HydrophobicContact CG-CD2 4.14Å; Q140-L388 PolarHBondContact N-O 2.84Å; Q140-E390 PolarHBondContact NE2-OE2 2.85Å
141	D	80.5	Confident	61.4	Low	51 Å²	51	83.9 Å²	83.9	27%	0.273	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	150.7	180	-161	-11.6	0	0	0	110	R143 L388	D141-R143 IonicContact OD1-NE 2.63Å; D141-R143 IonicContact OD2-CZ 3.33Å; D141-R143 IonicContact OD2-NE 3.29Å; D141-R143 PolarHBondContact OD2-NE 2.8Å; D141-R143 IonicContact OD2-NH2 2.77Å; D141-R143 PolarHBondContact OD2-NH2 2.99Å; D141-L388 HydrophobicContact CB-CB 3.89Å; D141-L388 HydrophobicContact CB-CD2 4.24Å; D141-L388 PolarHBondContact N-O 2.81Å; D141-L388 PolarHBondContact O-N 3.45Å
142	V	81.7	Confident	62.7	Low	58 Å²	58	82.6 Å²	82.6	35%	0.352	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	112.9	173.1	-179.1	0	0	0	0	108	V90 I139 L385 H386 V387	V90-V142 HydrophobicContact CB-CG2 4.45Å; V90-V142 HydrophobicContact CG2-CG1 4.05Å; V90-V142 HydrophobicContact CG2-CG2 4.16Å; I139-V142 HydrophobicContact CG2-CG2 3.5Å; V142-L385 HydrophobicContact CG1-CD1 3.71Å; V142-L385 HydrophobicContact CG1-CD2 4.47Å; V142-L385 HydrophobicContact CG1-CG 4.19Å; V142-H386 CarbonylContact C-O 3.52Å; V142-H386 WeakPolarHBondContact CA-O 3.5Å; V142-V387 HydrophobicContact CG1-CG2 4.44Å; V142-V387 HydrophobicContact CG2-CG1 4.41Å
143	R	80.2	Confident	63.9	Low	72 Å²	72	75 Å²	75	27%	0.272	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.2	-179	-57.8	-179.1	-174.3	-154.5	-6	110.8	H28 D141 H386	H28-R143 PolarHBondContact O-NH1 3.45Å; D141-R143 IonicContact OD1-NE 2.63Å; D141-R143 IonicContact OD2-CZ 3.33Å; D141-R143 IonicContact OD2-NE 3.29Å; D141-R143 PolarHBondContact OD2-NE 2.8Å; D141-R143 IonicContact OD2-NH2 2.77Å; D141-R143 PolarHBondContact OD2-NH2 2.99Å; R143-H386 HydrophobicContact CB-CB 4.21Å; R143-H386 PolarHBondContact N-O 2.95Å; R143-H386 PolarHBondContact O-N 2.98Å
144	F	76.3	Confident	65.2	Low	47 Å²	47	75.4 Å²	75.4	21%	0.206	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.3	167.8	-174.4	-108.5	0	0	0	109.7	L79 V83 H85 F88 I146 K383 L385	L79-F144 HydrophobicContact CD1-CE2 4.29Å; V83-F144 HydrophobicContact CG1-CE2 3.81Å; V83-F144 HydrophobicContact CG1-CZ 3.82Å; H85-F144 HydrophobicContact CB-CD1 3.57Å; H85-F144 HydrophobicContact CB-CE1 3.43Å; H85-F144 VanDerWaalsContact CB-CE1 3.43Å; H85-F144 HydrophobicContact CB-CG 4.36Å; H85-F144 HydrophobicContact CB-CZ 4.14Å; F88-F144 HydrophobicContact CD2-CD2 4.11Å; F88-F144 AromaticContact CE2-CD2 3.47Å; F88-F144 HydrophobicContact CE2-CD2 3.47Å; F88-F144 VanDerWaalsContact CE2-CD2 3.47Å; F88-F144 AromaticContact CE2-CE2 3.5Å; F88-F144 HydrophobicContact CE2-CE2 3.5Å; F88-F144 HydrophobicContact CE2-CG 4.35Å; F88-F144 HydrophobicContact CE2-CZ 4.38Å; F88-F144 HydrophobicContact CZ-CD2 4.05Å; F88-F144 AromaticContact CZ-CE2 3.89Å; F88-F144 HydrophobicContact CZ-CE2 3.89Å; F144-I146 HydrophobicContact CD1-CG1 4.19Å; F144-I146 HydrophobicContact CE1-CD1 3.98Å; F144-I146 HydrophobicContact CE1-CG1 3.51Å; F144-I146 HydrophobicContact CZ-CG1 4.23Å; F144-K383 HydrophobicContact CE2-CB 4.09Å; F144-K383 HydrophobicContact CE2-CG 4.32Å; F144-K383 HydrophobicContact CZ-CB 3.95Å; F144-K383 HydrophobicContact CZ-CD 3.74Å; F144-K383 HydrophobicContact CZ-CG 3.67Å; F144-L385 HydrophobicContact CD2-CD1 4.43Å
145	H	70.3	Confident	66.3	Low	48 Å²	48	76.9 Å²	76.9	22%	0.222	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.9	179.8	-72.5	-24.4	0	0	0	110.4	E384 H386	H145-E384 HydrophobicContact CB-CB 4.45Å; H145-E384 PolarHBondContact N-O 3.32Å; H145-E384 PolarHBondContact O-N 3.07Å; H145-H386 AromaticContact CD2-CD2 3.7Å; H145-H386 AromaticContact CD2-CE1 3.96Å; H145-H386 AromaticContact CD2-CG 3.81Å; H145-H386 AromaticContact CD2-ND1 3.98Å; H145-H386 AromaticContact CD2-NE2 3.81Å
146	I	67	Low	66.9	Low	78 Å²	78	75.1 Å²	75.1	40%	0.4	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	108.6	161.9	-52.6	175.7	0	0	0	105.6	F144 Q148 V381 K383	F144-I146 HydrophobicContact CD1-CG1 4.19Å; F144-I146 HydrophobicContact CE1-CD1 3.98Å; F144-I146 HydrophobicContact CE1-CG1 3.51Å; F144-I146 HydrophobicContact CZ-CG1 4.23Å; I146-Q148 PolarHBondContact O-N 2.8Å; I146-V381 HydrophobicContact CG2-CG1 4.09Å; I146-K383 HydrophobicContact CG1-CG 4.49Å
147	N	61.1	Low	66.6	Low	72 Å²	72	75.6 Å²	75.6	39%	0.385	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-67.6	124.3	169.4	-73	-20.3	0	0	0	108	S382 E384	N147-S382 PolarHBondContact N-O 2.89Å; N147-E384 PolarHBondContact ND2-OE1 3.06Å
148	Q	45.6	Very low	66.2	Low	158 Å²	158	82 Å²	82	74%	0.738	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-69	134.7	178.4	-78.9	177.6	-29.9	0	0	109.4	I146	I146-Q148 PolarHBondContact O-N 2.8Å
149	L	50.1	Low	65.9	Low	40 Å²	40	84.8 Å²	84.8	21%	0.209	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-48.8	133.7	174.2	-67.9	154.2	0	0	0	110.2	D153 N154 F157 L380 V381	L149-D153 HydrophobicContact CB-CB 3.78Å; L149-D153 HydrophobicContact CD2-CB 3.53Å; L149-D153 HydrophobicContact CG-CB 4.28Å; L149-N154 WeakPolarHBondContact CB-OD1 3.45Å; L149-N154 VanDerWaalsContact CD1-OD1 3.27Å; L149-N154 WeakPolarHBondContact CD1-OD1 3.42Å; L149-N154 PolarHBondContact O-ND2 3.33Å; L149-F157 HydrophobicContact CD1-CB 4.31Å; L149-F157 HydrophobicContact CD1-CG 4.46Å; L149-L380 WeakPolarHBondContact CD2-O 3.49Å; L149-V381 HydrophobicContact CD2-CG2 4.12Å
150	N	53.9	Low	65.4	Low	118 Å²	118	84 Å²	84	63%	0.631	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-62.4	167	166.6	-62.1	-60.4	0	0	0	109.9	D152 D153 N154	N150-D152 PolarHBondContact O-N 2.82Å; N150-D152 VanDerWaalsContact O-N 3.15Å; N150-D153 VanDerWaalsContact CB-OD2 3.25Å; N150-D153 WeakPolarHBondContact CB-OD2 3.49Å; N150-D153 PolarHBondContact N-OD2 3.25Å; N150-D153 PolarHBondContact ND2-OD2 3.43Å; N150-D153 WeakPolarHBondContact O-CA 3.4Å; N150-D153 WeakPolarHBondContact O-CB 3.39Å; N150-D153 PolarHBondContact O-N 3.36Å; N150-N154 PolarHBondContact O-N 3.49Å
151	E	53.8	Low	64.7	Low	150 Å²	150	83.6 Å²	83.6	70%	0.701	40%	0.401	S	S	*	.	H	α-helix	trans	-59.4	-31.7	-177.2	-158.3	-174.1	-132.8	0	0	113	K155	E151-K155 WeakPolarHBondContact O-CE 3.34Å; E151-K155 WeakPolarHBondContact O-CG 3.22Å; E151-K155 PolarHBondContact O-N 3.01Å; E151-K155 IonicContact OE2-NZ 3.72Å
152	D	56.3	Low	64.5	Low	110 Å²	110	84.1 Å²	84.1	59%	0.588	41%	0.408	S	S	*	.	H	α-helix	trans	-77.3	-30.6	173.2	-68.9	-33	0	0	0	113.6	N150 K155 L156	N150-D152 PolarHBondContact O-N 2.82Å; N150-D152 VanDerWaalsContact O-N 3.15Å; D152-K155 PolarHBondContact O-N 2.92Å; D152-K155 IonicContact OD1-NZ 2.72Å; D152-K155 PolarHBondContact OD1-NZ 3.01Å; D152-L156 PolarHBondContact O-N 2.75Å
153	D	53.3	Low	64.4	Low	41 Å²	41	81.8 Å²	81.8	22%	0.219	39%	0.393	C	S	.	.	H	α-helix	trans	-70.9	-35.8	175.7	-61.4	-43.3	0	0	0	111.1	L149 N150 L156 F157 L380	L149-D153 HydrophobicContact CB-CB 3.78Å; L149-D153 HydrophobicContact CD2-CB 3.53Å; L149-D153 HydrophobicContact CG-CB 4.28Å; N150-D153 VanDerWaalsContact CB-OD2 3.25Å; N150-D153 WeakPolarHBondContact CB-OD2 3.49Å; N150-D153 PolarHBondContact N-OD2 3.25Å; N150-D153 PolarHBondContact ND2-OD2 3.43Å; N150-D153 WeakPolarHBondContact O-CA 3.4Å; N150-D153 WeakPolarHBondContact O-CB 3.39Å; N150-D153 PolarHBondContact O-N 3.36Å; D153-L156 PolarHBondContact O-N 3.09Å; D153-L156 VanDerWaalsContact O-N 3.17Å; D153-F157 PolarHBondContact O-N 2.99Å; D153-L380 HydrophobicContact CB-CD2 3.84Å
154	N	57	Low	63.9	Low	75 Å²	75	80.1 Å²	80.1	40%	0.401	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-46	170.7	-83.2	-41.9	0	0	0	111.3	L149 N150 L156 F157 E158	L149-N154 WeakPolarHBondContact CB-OD1 3.45Å; L149-N154 VanDerWaalsContact CD1-OD1 3.27Å; L149-N154 WeakPolarHBondContact CD1-OD1 3.42Å; L149-N154 PolarHBondContact O-ND2 3.33Å; N150-N154 PolarHBondContact O-N 3.49Å; N154-L156 PolarHBondContact O-N 3.04Å; N154-F157 PolarHBondContact O-N 2.93Å; N154-E158 WeakPolarHBondContact O-CG 3.43Å; N154-E158 PolarHBondContact O-N 2.99Å
155	K	65.5	Low	63.6	Low	104 Å²	104	82 Å²	82	45%	0.452	40%	0.401	S	S	.	.	H	α-helix	trans	-59.4	-35.4	174.1	-64.7	164.7	-156.8	155.7	0	111.5	E151 D152 R159	E151-K155 WeakPolarHBondContact O-CE 3.34Å; E151-K155 WeakPolarHBondContact O-CG 3.22Å; E151-K155 PolarHBondContact O-N 3.01Å; E151-K155 IonicContact OE2-NZ 3.72Å; D152-K155 PolarHBondContact O-N 2.92Å; D152-K155 IonicContact OD1-NZ 2.72Å; D152-K155 PolarHBondContact OD1-NZ 3.01Å; K155-R159 VanDerWaalsContact O-CB 3.24Å; K155-R159 WeakPolarHBondContact O-CB 3.49Å; K155-R159 PolarHBondContact O-N 2.87Å
156	L	63.7	Low	64.1	Low	51 Å²	51	83.8 Å²	83.8	27%	0.267	41%	0.409	S	S	.	.	H	α-helix	trans	-74.4	-37.9	180	-145.5	152.6	0	0	0	111.8	D152 D153 N154 R159 Y160 I373 L380	D152-L156 PolarHBondContact O-N 2.75Å; D153-L156 PolarHBondContact O-N 3.09Å; D153-L156 VanDerWaalsContact O-N 3.17Å; N154-L156 PolarHBondContact O-N 3.04Å; L156-R159 PolarHBondContact O-N 2.75Å; L156-Y160 WeakPolarHBondContact O-CB 3.33Å; L156-Y160 PolarHBondContact O-N 3.37Å; L156-I373 HydrophobicContact CD2-CB 4.4Å; L156-I373 HydrophobicContact CD2-CG1 4.18Å; L156-I373 HydrophobicContact CD2-CG2 3.58Å; L156-L380 HydrophobicContact CB-CD2 3.78Å; L156-L380 HydrophobicContact CD1-CD2 4.18Å; L156-L380 HydrophobicContact CD2-CD1 4.14Å; L156-L380 HydrophobicContact CD2-CD2 3.9Å; L156-L380 HydrophobicContact CG-CD2 4.16Å
157	F	58.8	Low	64.7	Low	96 Å²	96	80.6 Å²	80.6	42%	0.421	39%	0.393	S	S	.	.	H	α-helix	trans	-67.2	-42.6	171	-178.2	-106.1	0	0	0	112.5	L149 D153 N154 R159 Y160 N161	L149-F157 HydrophobicContact CD1-CB 4.31Å; L149-F157 HydrophobicContact CD1-CG 4.46Å; D153-F157 PolarHBondContact O-N 2.99Å; N154-F157 PolarHBondContact O-N 2.93Å; F157-R159 VanDerWaalsContact C-N 3.34Å; F157-Y160 PolarHBondContact O-N 3.48Å; F157-N161 WeakPolarHBondContact CD1-ND2 3.35Å; F157-N161 WeakPolarHBondContact CE1-ND2 3.39Å; F157-N161 WeakPolarHBondContact CE2-ND2 3.5Å; F157-N161 WeakPolarHBondContact CZ-ND2 3.39Å; F157-N161 PolarHBondContact O-N 2.99Å; F157-N161 PolarHBondContact O-ND2 3.08Å
158	E	67.1	Low	65.2	Low	138 Å²	138	84.7 Å²	84.7	65%	0.645	40%	0.403	S	S	*	.	H	α-helix	trans	-60.5	-43.5	171.8	-75.6	-169.7	160.3	0	0	111.4	N154 N161 C162	N154-E158 WeakPolarHBondContact O-CG 3.43Å; N154-E158 PolarHBondContact O-N 2.99Å; E158-N161 PolarHBondContact O-N 3.07Å; E158-C162 VanDerWaalsContact O-CB 3.25Å; E158-C162 WeakPolarHBondContact O-CB 3.24Å; E158-C162 PolarHBondContact O-N 3Å
159	R	76.7	Confident	66.8	Low	147 Å²	147	83.7 Å²	83.7	56%	0.555	40%	0.396	S	S	*	.	H	α-helix	trans	-61.4	-45.3	175.8	-176.1	173.9	179.4	173.4	-2.4	112	K155 L156 F157 C162 L163 I373	K155-R159 VanDerWaalsContact O-CB 3.24Å; K155-R159 WeakPolarHBondContact O-CB 3.49Å; K155-R159 PolarHBondContact O-N 2.87Å; L156-R159 PolarHBondContact O-N 2.75Å; F157-R159 VanDerWaalsContact C-N 3.34Å; R159-C162 PolarHBondContact O-N 3.28Å; R159-L163 HydrophobicContact CG-CD1 4.15Å; R159-L163 WeakPolarHBondContact O-CG 3.49Å; R159-L163 PolarHBondContact O-N 3.48Å; R159-I373 HydrophobicContact CG-CD1 4.2Å
160	Y	73.1	Confident	68.4	Low	41 Å²	41	83.5 Å²	83.5	16%	0.161	40%	0.395	C	S	.	.	H	α-helix	trans	-57.9	-51.1	175.4	-179.5	-105.7	0	0	0	111.6	L156 F157 C162 L163 L164 L370 I373 E374 Q377	L156-Y160 WeakPolarHBondContact O-CB 3.33Å; L156-Y160 PolarHBondContact O-N 3.37Å; F157-Y160 PolarHBondContact O-N 3.48Å; Y160-C162 VanDerWaalsContact C-N 3.33Å; Y160-C162 PolarHBondContact O-N 3.17Å; Y160-L163 PolarHBondContact O-N 3.42Å; Y160-L164 HydrophobicContact CD1-CD1 4.11Å; Y160-L164 HydrophobicContact CE1-CD1 3.48Å; Y160-L164 VanDerWaalsContact CE1-CD1 3.48Å; Y160-L164 HydrophobicContact CE2-CD1 4.48Å; Y160-L164 WeakPolarHBondContact O-CB 3.39Å; Y160-L164 PolarHBondContact O-N 3.1Å; Y160-L370 HydrophobicContact CD2-CD2 3.42Å; Y160-L370 VanDerWaalsContact CD2-CD2 3.42Å; Y160-L370 HydrophobicContact CE2-CD2 3.44Å; Y160-L370 VanDerWaalsContact CE2-CD2 3.44Å; Y160-L370 HydrophobicContact CG-CD2 4.29Å; Y160-I373 HydrophobicContact CD2-CB 4.37Å; Y160-I373 HydrophobicContact CD2-CG2 3.65Å; Y160-I373 HydrophobicContact CG-CG2 4.24Å; Y160-E374 HydrophobicContact CE2-CG 3.93Å; Y160-E374 PolarHBondContact OH-OE1 2.8Å; Y160-E374 VanDerWaalsContact OH-OE1 3.09Å; Y160-Q377 VanDerWaalsContact CD2-NE2 3.3Å
161	N	67.1	Low	69.5	Low	60 Å²	60	83 Å²	83	32%	0.321	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-38.5	177.6	-76.1	-62.5	0	0	0	112.6	F157 E158 L164 I165	F157-N161 WeakPolarHBondContact CD1-ND2 3.35Å; F157-N161 WeakPolarHBondContact CE1-ND2 3.39Å; F157-N161 WeakPolarHBondContact CE2-ND2 3.5Å; F157-N161 WeakPolarHBondContact CZ-ND2 3.39Å; F157-N161 PolarHBondContact O-N 2.99Å; F157-N161 PolarHBondContact O-ND2 3.08Å; E158-N161 PolarHBondContact O-N 3.07Å; N161-L164 PolarHBondContact O-N 3.27Å; N161-I165 VanDerWaalsContact O-CG1 3.29Å; N161-I165 WeakPolarHBondContact O-CG1 3.1Å; N161-I165 PolarHBondContact O-N 2.96Å
162	C	75.3	Confident	70.5	Confident	62 Å²	62	85.2 Å²	85.2	42%	0.419	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-46.7	175.7	-170	0	0	0	0	111.6	E158 R159 Y160 L164 I165 Q166	E158-C162 VanDerWaalsContact O-CB 3.25Å; E158-C162 WeakPolarHBondContact O-CB 3.24Å; E158-C162 PolarHBondContact O-N 3Å; R159-C162 PolarHBondContact O-N 3.28Å; Y160-C162 VanDerWaalsContact C-N 3.33Å; Y160-C162 PolarHBondContact O-N 3.17Å; C162-L164 VanDerWaalsContact C-N 3.34Å; C162-L164 PolarHBondContact O-N 3.42Å; C162-I165 PolarHBondContact O-N 3.3Å; C162-Q166 VanDerWaalsContact O-CG 3.32Å; C162-Q166 WeakPolarHBondContact O-CG 3.11Å; C162-Q166 PolarHBondContact O-N 2.95Å
163	L	80.1	Confident	72	Confident	9 Å²	9	84.9 Å²	84.9	5%	0.047	38%	0.379	C	S	.	.	H	α-helix	trans	-61.2	-40.4	174.4	-71.4	167.9	0	0	0	111.9	R159 Y160 I165 Q166 L167 L366 Q369 L370 I373	R159-L163 HydrophobicContact CG-CD1 4.15Å; R159-L163 WeakPolarHBondContact O-CG 3.49Å; R159-L163 PolarHBondContact O-N 3.48Å; Y160-L163 PolarHBondContact O-N 3.42Å; L163-I165 PolarHBondContact O-N 3.5Å; L163-Q166 PolarHBondContact O-N 2.64Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 PolarHBondContact O-N 3.17Å; L163-L366 HydrophobicContact CD2-CD2 3.51Å; L163-Q369 HydrophobicContact CD1-CB 4Å; L163-Q369 HydrophobicContact CD2-CB 4.39Å; L163-L370 HydrophobicContact CB-CD2 3.76Å; L163-L370 HydrophobicContact CB-CG 4.14Å; L163-L370 HydrophobicContact CD1-CD2 4.46Å; L163-I373 HydrophobicContact CD1-CD1 3.58Å
164	L	70.4	Confident	73.4	Confident	37 Å²	37	85.9 Å²	85.9	19%	0.194	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-40.6	175.3	-119	160.8	0	0	0	112.4	Y160 N161 C162 R168	Y160-L164 HydrophobicContact CD1-CD1 4.11Å; Y160-L164 HydrophobicContact CE1-CD1 3.48Å; Y160-L164 VanDerWaalsContact CE1-CD1 3.48Å; Y160-L164 HydrophobicContact CE2-CD1 4.48Å; Y160-L164 WeakPolarHBondContact O-CB 3.39Å; Y160-L164 PolarHBondContact O-N 3.1Å; N161-L164 PolarHBondContact O-N 3.27Å; C162-L164 VanDerWaalsContact C-N 3.34Å; C162-L164 PolarHBondContact O-N 3.42Å; L164-R168 WeakPolarHBondContact O-CB 3.28Å; L164-R168 VanDerWaalsContact O-CG 3.24Å; L164-R168 WeakPolarHBondContact O-CG 3.46Å; L164-R168 PolarHBondContact O-N 3.3Å
165	I	70.7	Confident	74.4	Confident	86 Å²	86	87.9 Å²	87.9	44%	0.441	39%	0.387	S	S	.	.	H	α-helix	trans	-66.3	-41.3	174.1	-69.9	165.3	0	0	0	110.8	N161 C162 L163 R168 K169	N161-I165 VanDerWaalsContact O-CG1 3.29Å; N161-I165 WeakPolarHBondContact O-CG1 3.1Å; N161-I165 PolarHBondContact O-N 2.96Å; C162-I165 PolarHBondContact O-N 3.3Å; L163-I165 PolarHBondContact O-N 3.5Å; I165-R168 PolarHBondContact O-N 3.28Å; I165-K169 HydrophobicContact CG2-CD 4.33Å; I165-K169 WeakPolarHBondContact O-CG 3.32Å; I165-K169 PolarHBondContact O-N 3.49Å
166	Q	80.1	Confident	75.4	Confident	86 Å²	86	89.9 Å²	89.9	40%	0.402	39%	0.393	S	S	.	.	H	α-helix	trans	-62.7	-47.2	174.9	-70.5	173.9	13.6	0	0	111.3	C162 L163 R168 K169 E170 L366	C162-Q166 VanDerWaalsContact O-CG 3.32Å; C162-Q166 WeakPolarHBondContact O-CG 3.11Å; C162-Q166 PolarHBondContact O-N 2.95Å; L163-Q166 PolarHBondContact O-N 2.64Å; Q166-R168 VanDerWaalsContact C-N 3.31Å; Q166-R168 PolarHBondContact O-N 3.23Å; Q166-K169 WeakPolarHBondContact O-CB 3.45Å; Q166-K169 PolarHBondContact O-N 2.83Å; Q166-E170 PolarHBondContact O-N 2.68Å; Q166-L366 HydrophobicContact CB-CD1 4.01Å; Q166-L366 HydrophobicContact CB-CD2 4.15Å
167	L	79.4	Confident	76.4	Confident	12 Å²	12	87.6 Å²	87.6	6%	0.063	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-37.7	177.8	-177.8	62.6	0	0	0	112	L163 K171 M363 L366 I367 L370	L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 PolarHBondContact O-N 3.17Å; L167-K171 HydrophobicContact CG-CD 4.34Å; L167-K171 WeakPolarHBondContact O-CB 3.37Å; L167-K171 VanDerWaalsContact O-CG 3.32Å; L167-K171 WeakPolarHBondContact O-CG 3.47Å; L167-K171 PolarHBondContact O-N 3.15Å; L167-M363 HydrophobicContact CD1-CB 4.2Å; L167-M363 HydrophobicContact CD1-CG 4.1Å; L167-L366 HydrophobicContact CB-CB 4.42Å; L167-L366 HydrophobicContact CB-CD1 4.32Å; L167-L366 HydrophobicContact CD1-CB 4.23Å; L167-I367 HydrophobicContact CD1-CD1 4.37Å; L167-I367 HydrophobicContact CD1-CG1 4.06Å; L167-I367 HydrophobicContact CD2-CG1 3.9Å; L167-L370 HydrophobicContact CD2-CD1 3.69Å
168	R	71.1	Confident	77.4	Confident	157 Å²	157	85.4 Å²	85.4	59%	0.592	37%	0.373	S	S	*	.	H	α-helix	trans	-65.3	-38	172.9	-74.4	169.6	-179.9	175	1.8	112.2	L164 I165 Q166 R172	L164-R168 WeakPolarHBondContact O-CB 3.28Å; L164-R168 VanDerWaalsContact O-CG 3.24Å; L164-R168 WeakPolarHBondContact O-CG 3.46Å; L164-R168 PolarHBondContact O-N 3.3Å; I165-R168 PolarHBondContact O-N 3.28Å; Q166-R168 VanDerWaalsContact C-N 3.31Å; Q166-R168 PolarHBondContact O-N 3.23Å; R168-R172 WeakPolarHBondContact O-CG 3.3Å; R168-R172 PolarHBondContact O-N 3.09Å
169	K	79.6	Confident	77.9	Confident	137 Å²	137	81.4 Å²	81.4	60%	0.596	36%	0.356	S	S	*	.	H	α-helix	trans	-67.1	-47.4	175.1	-74.2	173.1	179.3	178.6	0	111.5	I165 Q166 R172 R173	I165-K169 HydrophobicContact CG2-CD 4.33Å; I165-K169 WeakPolarHBondContact O-CG 3.32Å; I165-K169 PolarHBondContact O-N 3.49Å; Q166-K169 WeakPolarHBondContact O-CB 3.45Å; Q166-K169 PolarHBondContact O-N 2.83Å; K169-R172 WeakPolarHBondContact O-CB 3.44Å; K169-R172 PolarHBondContact O-N 3.31Å; K169-R172 VanDerWaalsContact O-N 3.16Å; K169-R173 PolarHBondContact O-N 2.85Å
170	E	84.4	Confident	78.4	Confident	37 Å²	37	78.3 Å²	78.3	17%	0.173	34%	0.344	C	S	.	.	H	α-helix	trans	-65	-40.7	177.5	-73	-55.6	130.2	0	0	112.3	Q166 R172 R173 Y174 C359 T362 M363 L366	Q166-E170 PolarHBondContact O-N 2.68Å; E170-R172 VanDerWaalsContact C-N 3.26Å; E170-R172 PolarHBondContact O-N 3.5Å; E170-R173 WeakPolarHBondContact O-CB 3.27Å; E170-R173 PolarHBondContact O-N 3.2Å; E170-Y174 WeakPolarHBondContact O-CB 3.36Å; E170-Y174 PolarHBondContact O-N 3.42Å; E170-C359 PolarHBondContact O-SG 3.48Å; E170-C359 PolarHBondContact OE2-SG 3.24Å; E170-T362 HydrophobicContact CG-CG2 4.14Å; E170-M363 HydrophobicContact CB-CG 3.82Å; E170-L366 HydrophobicContact CG-CD1 4.31Å
171	K	75.9	Confident	78.8	Confident	108 Å²	108	79.3 Å²	79.3	47%	0.47	35%	0.348	S	S	.	.	H	α-helix	trans	-56.7	-37.3	171.8	-78.8	176.7	178.3	177.7	0	112.9	L167 H175 M363	L167-K171 HydrophobicContact CG-CD 4.34Å; L167-K171 WeakPolarHBondContact O-CB 3.37Å; L167-K171 VanDerWaalsContact O-CG 3.32Å; L167-K171 WeakPolarHBondContact O-CG 3.47Å; L167-K171 PolarHBondContact O-N 3.15Å; K171-H175 PolarHBondContact O-N 3.26Å; K171-M363 HydrophobicContact CD-CE 4.47Å; K171-M363 HydrophobicContact CG-CE 3.6Å; K171-M363 HydrophobicContact CG-SD 4.01Å
172	R	75.7	Confident	79.1	Confident	195 Å²	195	80.9 Å²	80.9	74%	0.736	35%	0.354	S	S	*	.	H	α-helix	trans	-69.7	-42.2	173.7	-70.7	175.4	-176	-177.2	2.1	111.9	R168 K169 E170 H175 Y176	R168-R172 WeakPolarHBondContact O-CG 3.3Å; R168-R172 PolarHBondContact O-N 3.09Å; K169-R172 WeakPolarHBondContact O-CB 3.44Å; K169-R172 PolarHBondContact O-N 3.31Å; K169-R172 VanDerWaalsContact O-N 3.16Å; E170-R172 VanDerWaalsContact C-N 3.26Å; E170-R172 PolarHBondContact O-N 3.5Å; R172-H175 PolarHBondContact O-N 2.85Å; R172-Y176 PolarHBondContact O-N 2.78Å
173	R	88.3	Confident	79.3	Confident	104 Å²	104	86.2 Å²	86.2	39%	0.392	37%	0.365	S	S	.	.	H	α-helix	trans	-60.2	-47.9	175.4	-173.7	-175.7	178.7	-175.6	-1.8	111.4	K169 E170 H175 Y176 L177 E355	K169-R173 PolarHBondContact O-N 2.85Å; E170-R173 WeakPolarHBondContact O-CB 3.27Å; E170-R173 PolarHBondContact O-N 3.2Å; R173-H175 VanDerWaalsContact C-N 3.33Å; R173-H175 PolarHBondContact O-N 3.31Å; R173-Y176 WeakPolarHBondContact O-CB 3.47Å; R173-Y176 PolarHBondContact O-N 2.75Å; R173-Y176 VanDerWaalsContact O-N 3.15Å; R173-L177 HydrophobicContact CG-CD1 3.96Å; R173-L177 HydrophobicContact CG-CG 4.38Å; R173-L177 WeakPolarHBondContact O-CG 3.48Å; R173-L177 PolarHBondContact O-N 3.32Å; R173-E355 IonicContact CZ-OE2 3.14Å; R173-E355 IonicContact NE-OE2 3.71Å; R173-E355 IonicContact NH2-OE2 2.82Å; R173-E355 PolarHBondContact NH2-OE2 3.48Å
174	Y	81.9	Confident	79.3	Confident	62 Å²	62	86.2 Å²	86.2	24%	0.243	37%	0.365	C	S	.	.	H	α-helix	trans	-54.7	-47.4	176.1	-172	-104.7	0	0	0	111.9	E170 L177 I178 L356 C359 K360 M363	E170-Y174 WeakPolarHBondContact O-CB 3.36Å; E170-Y174 PolarHBondContact O-N 3.42Å; Y174-L177 PolarHBondContact O-N 2.82Å; Y174-I178 HydrophobicContact CD1-CD1 3.89Å; Y174-I178 HydrophobicContact CE1-CD1 3.35Å; Y174-I178 HydrophobicContact CE1-CG1 4.28Å; Y174-I178 PolarHBondContact O-N 2.85Å; Y174-L356 HydrophobicContact CD2-CD2 3.7Å; Y174-L356 HydrophobicContact CE2-CD2 3.69Å; Y174-L356 HydrophobicContact CG-CD2 4.4Å; Y174-C359 HydrophobicContact CD2-CB 4.38Å; Y174-K360 HydrophobicContact CE2-CB 4.32Å; Y174-M363 HydrophobicContact CG-SD 4.27Å
175	H	76.8	Confident	79.5	Confident	117 Å²	117	87.7 Å²	87.7	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-40.6	177.5	-172.9	76.1	0	0	0	112.7	K171 R172 R173 N179	K171-H175 PolarHBondContact O-N 3.26Å; R172-H175 PolarHBondContact O-N 2.85Å; R173-H175 VanDerWaalsContact C-N 3.33Å; R173-H175 PolarHBondContact O-N 3.31Å; H175-N179 PolarHBondContact CD2-ND2 2.99Å; H175-N179 VanDerWaalsContact CD2-ND2 3.26Å; H175-N179 PolarHBondContact NE2-ND2 3.45Å; H175-N179 PolarHBondContact O-N 2.74Å; H175-N179 VanDerWaalsContact O-N 3.16Å; H175-N179 PolarHBondContact O-ND2 2.97Å
176	Y	87.2	Confident	79.7	Confident	146 Å²	146	90 Å²	90	57%	0.573	38%	0.377	S	S	*	.	H	α-helix	trans	-60.8	-45.6	173.6	171.9	-92.4	0	0	0	112	R172 R173 N179 R180	R172-Y176 PolarHBondContact O-N 2.78Å; R173-Y176 WeakPolarHBondContact O-CB 3.47Å; R173-Y176 PolarHBondContact O-N 2.75Å; R173-Y176 VanDerWaalsContact O-N 3.15Å; Y176-N179 PolarHBondContact O-N 3.01Å; Y176-R180 PolarHBondContact O-N 3.07Å
177	L	84.7	Confident	79.8	Confident	2 Å²	2	91 Å²	91	1%	0.01	38%	0.381	C	S	.	.	H	α-helix	trans	-65.2	-40.2	-179.8	-70.5	169.4	0	0	0	112.3	R173 Y174 N179 R180 Y181 V352 E355 L356 C359	R173-L177 HydrophobicContact CG-CD1 3.96Å; R173-L177 HydrophobicContact CG-CG 4.38Å; R173-L177 WeakPolarHBondContact O-CG 3.48Å; R173-L177 PolarHBondContact O-N 3.32Å; Y174-L177 PolarHBondContact O-N 2.82Å; L177-N179 VanDerWaalsContact C-N 3.32Å; L177-N179 PolarHBondContact O-N 2.81Å; L177-R180 PolarHBondContact O-N 3.32Å; L177-Y181 WeakPolarHBondContact O-CB 3.32Å; L177-Y181 PolarHBondContact O-N 2.85Å; L177-V352 HydrophobicContact CB-CG1 4.45Å; L177-V352 HydrophobicContact CD2-CG1 4.27Å; L177-V352 WeakPolarHBondContact O-CG1 3.43Å; L177-E355 HydrophobicContact CD1-CB 3.78Å; L177-E355 HydrophobicContact CD2-CB 3.98Å; L177-L356 HydrophobicContact CB-CD2 3.49Å; L177-L356 VanDerWaalsContact CB-CD2 3.49Å; L177-L356 HydrophobicContact CB-CG 3.76Å; L177-L356 HydrophobicContact CD1-CD2 4.4Å; L177-C359 HydrophobicContact CD1-CB 4.35Å
178	I	79	Confident	79.6	Confident	50 Å²	50	90.6 Å²	90.6	26%	0.256	38%	0.379	S	S	.	.	H	α-helix	trans	-57.3	-47.3	171.8	-74.9	-179.5	0	0	0	110.5	Y174 R180 Y181 Q182 L356	Y174-I178 HydrophobicContact CD1-CD1 3.89Å; Y174-I178 HydrophobicContact CE1-CD1 3.35Å; Y174-I178 HydrophobicContact CE1-CG1 4.28Å; Y174-I178 PolarHBondContact O-N 2.85Å; I178-R180 VanDerWaalsContact C-N 3.3Å; I178-R180 PolarHBondContact O-N 3.47Å; I178-Y181 PolarHBondContact O-N 3Å; I178-Q182 WeakPolarHBondContact O-CG 3.26Å; I178-Q182 PolarHBondContact O-N 3.37Å; I178-L356 HydrophobicContact CG1-CD1 4.46Å; I178-L356 HydrophobicContact CG1-CD2 3.75Å
179	N	79.6	Confident	79.6	Confident	54 Å²	54	85.6 Å²	85.6	29%	0.289	36%	0.364	S	S	.	.	H	α-helix	trans	-64.9	-33.9	179.1	-71.5	-39.6	0	0	0	112.3	H175 Y176 L177 R183	H175-N179 PolarHBondContact CD2-ND2 2.99Å; H175-N179 VanDerWaalsContact CD2-ND2 3.26Å; H175-N179 PolarHBondContact NE2-ND2 3.45Å; H175-N179 PolarHBondContact O-N 2.74Å; H175-N179 VanDerWaalsContact O-N 3.16Å; H175-N179 PolarHBondContact O-ND2 2.97Å; Y176-N179 PolarHBondContact O-N 3.01Å; L177-N179 VanDerWaalsContact C-N 3.32Å; L177-N179 PolarHBondContact O-N 2.81Å; N179-R183 VanDerWaalsContact O-CG 3.28Å; N179-R183 WeakPolarHBondContact O-CG 3.33Å; N179-R183 PolarHBondContact O-N 2.89Å
180	R	86.6	Confident	79.6	Confident	82 Å²	82	84 Å²	84	31%	0.309	37%	0.366	S	S	.	.	H	α-helix	trans	-67.4	-48	173.3	-174.2	177.1	173.8	-162.7	-2.6	111.2	Y176 L177 I178 Q182 R183 L184 D348 V352 E355	Y176-R180 PolarHBondContact O-N 3.07Å; L177-R180 PolarHBondContact O-N 3.32Å; I178-R180 VanDerWaalsContact C-N 3.3Å; I178-R180 PolarHBondContact O-N 3.47Å; R180-Q182 VanDerWaalsContact C-N 3.34Å; R180-Q182 PolarHBondContact O-N 3.36Å; R180-R183 WeakPolarHBondContact O-CB 3.42Å; R180-R183 PolarHBondContact O-N 2.94Å; R180-L184 HydrophobicContact CG-CD1 4.3Å; R180-L184 PolarHBondContact O-N 3.06Å; R180-D348 IonicContact NH2-OD2 2.69Å; R180-V352 HydrophobicContact CB-CG1 4.44Å; R180-V352 HydrophobicContact CG-CG2 4.04Å; R180-E355 IonicContact NH1-OE1 2.72Å
181	Y	80.6	Confident	79.2	Confident	62 Å²	62	83.4 Å²	83.4	24%	0.243	36%	0.364	C	S	.	.	H	α-helix	trans	-55.9	-46.9	176.6	-174.3	-89.1	0	0	0	111.8	L177 I178 R183 L184 F185 T349 V352 L356	L177-Y181 WeakPolarHBondContact O-CB 3.32Å; L177-Y181 PolarHBondContact O-N 2.85Å; I178-Y181 PolarHBondContact O-N 3Å; Y181-R183 VanDerWaalsContact C-N 3.27Å; Y181-R183 PolarHBondContact O-N 2.96Å; Y181-L184 PolarHBondContact O-N 3.16Å; Y181-F185 PolarHBondContact O-N 2.92Å; Y181-T349 HydrophobicContact CD2-CG2 4.03Å; Y181-T349 HydrophobicContact CE2-CG2 3.46Å; Y181-T349 VanDerWaalsContact CE2-CG2 3.46Å; Y181-V352 HydrophobicContact CD2-CG1 4.37Å; Y181-L356 HydrophobicContact CG-CD1 4.49Å
182	Q	74	Confident	78.9	Confident	94 Å²	94	80.3 Å²	80.3	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-29.8	176.4	-71.7	-178	1.5	0	0	113.7	I178 R180 K186	I178-Q182 WeakPolarHBondContact O-CG 3.26Å; I178-Q182 PolarHBondContact O-N 3.37Å; R180-Q182 VanDerWaalsContact C-N 3.34Å; R180-Q182 PolarHBondContact O-N 3.36Å; Q182-K186 VanDerWaalsContact O-CG 3.29Å; Q182-K186 WeakPolarHBondContact O-CG 3.46Å; Q182-K186 PolarHBondContact O-N 2.89Å
183	R	78.9	Confident	78.7	Confident	173 Å²	173	73.2 Å²	73.2	65%	0.653	33%	0.327	S	S	*	.	H	α-helix	trans	-73.7	-44.9	175.2	-72.3	169.9	-171.3	-169.4	3.2	111.5	N179 R180 Y181 K186 Q187	N179-R183 VanDerWaalsContact O-CG 3.28Å; N179-R183 WeakPolarHBondContact O-CG 3.33Å; N179-R183 PolarHBondContact O-N 2.89Å; R180-R183 WeakPolarHBondContact O-CB 3.42Å; R180-R183 PolarHBondContact O-N 2.94Å; Y181-R183 VanDerWaalsContact C-N 3.27Å; Y181-R183 PolarHBondContact O-N 2.96Å; R183-K186 WeakPolarHBondContact O-CB 3.48Å; R183-K186 PolarHBondContact O-N 3.44Å; R183-Q187 WeakPolarHBondContact O-CG 3.43Å; R183-Q187 PolarHBondContact O-N 3.45Å
184	L	80.1	Confident	78.1	Confident	9 Å²	9	73.7 Å²	73.7	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-58.9	-47.8	176	-68.4	167.6	0	0	0	110.8	R180 Y181 K186 Q187 Q188 L345 D348 V352	R180-L184 HydrophobicContact CG-CD1 4.3Å; R180-L184 PolarHBondContact O-N 3.06Å; Y181-L184 PolarHBondContact O-N 3.16Å; L184-K186 VanDerWaalsContact C-N 3.29Å; L184-K186 PolarHBondContact O-N 3.24Å; L184-Q187 WeakPolarHBondContact O-CB 3.45Å; L184-Q187 PolarHBondContact O-N 3.39Å; L184-Q187 VanDerWaalsContact O-N 3.07Å; L184-Q188 PolarHBondContact O-N 3.25Å; L184-L345 HydrophobicContact CD2-CD2 3.8Å; L184-D348 HydrophobicContact CD1-CB 3.91Å; L184-D348 HydrophobicContact CD2-CB 3.81Å; L184-V352 HydrophobicContact CD1-CB 4.39Å; L184-V352 HydrophobicContact CD1-CG2 3.96Å
185	F	75.1	Confident	77.4	Confident	69 Å²	69	70.8 Å²	70.8	30%	0.303	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-38.7	175.7	-172.5	-105.4	0	0	0	112.7	Y181 N189	Y181-F185 PolarHBondContact O-N 2.92Å; F185-N189 WeakPolarHBondContact CD1-ND2 3.44Å; F185-N189 WeakPolarHBondContact CE1-ND2 3.4Å; F185-N189 WeakPolarHBondContact CZ-ND2 3.4Å; F185-N189 PolarHBondContact O-N 3.09Å; F185-N189 VanDerWaalsContact O-N 3.08Å; F185-N189 PolarHBondContact O-ND2 3.47Å
186	K	75.2	Confident	77	Confident	135 Å²	135	68.1 Å²	68.1	59%	0.587	31%	0.311	S	S	*	.	H	α-helix	trans	-66.7	-41.5	173.8	-76.4	172.6	-177.8	178.2	0	112.4	Q182 R183 L184 N189 V190	Q182-K186 VanDerWaalsContact O-CG 3.29Å; Q182-K186 WeakPolarHBondContact O-CG 3.46Å; Q182-K186 PolarHBondContact O-N 2.89Å; R183-K186 WeakPolarHBondContact O-CB 3.48Å; R183-K186 PolarHBondContact O-N 3.44Å; L184-K186 VanDerWaalsContact C-N 3.29Å; L184-K186 PolarHBondContact O-N 3.24Å; K186-N189 PolarHBondContact O-N 2.81Å; K186-V190 WeakPolarHBondContact O-CG2 3.17Å; K186-V190 PolarHBondContact O-N 2.81Å
187	Q	81.4	Confident	76.1	Confident	105 Å²	105	66.1 Å²	66.1	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-44	176.7	-73.2	170.9	-35	0	0	111.4	R183 L184 V190 L191 L345	R183-Q187 WeakPolarHBondContact O-CG 3.43Å; R183-Q187 PolarHBondContact O-N 3.45Å; L184-Q187 WeakPolarHBondContact O-CB 3.45Å; L184-Q187 PolarHBondContact O-N 3.39Å; L184-Q187 VanDerWaalsContact O-N 3.07Å; Q187-V190 PolarHBondContact O-N 3.06Å; Q187-L191 WeakPolarHBondContact O-CB 3.38Å; Q187-L191 PolarHBondContact O-N 2.99Å; Q187-L345 HydrophobicContact CB-CD1 4.14Å; Q187-L345 HydrophobicContact CB-CD2 4.04Å
188	Q	74.9	Confident	75.3	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.019	32%	0.321	C	S	.	.	H	α-helix	trans	-58.5	-49.4	174.7	-179.1	156.1	22.6	0	0	111.8	L184 V190 L191 E192 D346	L184-Q188 PolarHBondContact O-N 3.25Å; Q188-V190 VanDerWaalsContact C-N 3.32Å; Q188-V190 PolarHBondContact O-N 2.88Å; Q188-L191 PolarHBondContact O-N 3.01Å; Q188-E192 WeakPolarHBondContact O-CB 3.44Å; Q188-E192 WeakPolarHBondContact O-CG 3.45Å; Q188-E192 PolarHBondContact O-N 2.97Å; Q188-D346 PolarHBondContact NE2-OD1 3.47Å
189	N	72.7	Confident	74.6	Confident	53 Å²	53	66.4 Å²	66.4	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-57.9	-40.8	175	-84.6	-87	0	0	0	112.6	F185 K186 N193	F185-N189 WeakPolarHBondContact CD1-ND2 3.44Å; F185-N189 WeakPolarHBondContact CE1-ND2 3.4Å; F185-N189 WeakPolarHBondContact CZ-ND2 3.4Å; F185-N189 PolarHBondContact O-N 3.09Å; F185-N189 VanDerWaalsContact O-N 3.08Å; F185-N189 PolarHBondContact O-ND2 3.47Å; K186-N189 PolarHBondContact O-N 2.81Å; N189-N193 VanDerWaalsContact O-CB 3.31Å; N189-N193 WeakPolarHBondContact O-CB 3.44Å; N189-N193 PolarHBondContact O-N 3.45Å; N189-N193 PolarHBondContact O-ND2 3.36Å
190	V	77.8	Confident	73.7	Confident	103 Å²	103	71.6 Å²	71.6	62%	0.624	33%	0.328	S	S	*	.	H	α-helix	trans	-64.9	-45.9	177.3	169.7	0	0	0	0	111	K186 Q187 Q188 N193 F194	K186-V190 WeakPolarHBondContact O-CG2 3.17Å; K186-V190 PolarHBondContact O-N 2.81Å; Q187-V190 PolarHBondContact O-N 3.06Å; Q188-V190 VanDerWaalsContact C-N 3.32Å; Q188-V190 PolarHBondContact O-N 2.88Å; V190-N193 PolarHBondContact O-N 3.4Å; V190-F194 PolarHBondContact O-N 2.86Å
191	L	76.7	Confident	72.5	Confident	24 Å²	24	71.7 Å²	71.7	13%	0.126	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-46.7	-179.9	-171.8	65.5	0	0	0	111.5	Q187 Q188 F194 S195 Y338 Q341 L345	Q187-L191 WeakPolarHBondContact O-CB 3.38Å; Q187-L191 PolarHBondContact O-N 2.99Å; Q188-L191 PolarHBondContact O-N 3.01Å; L191-F194 PolarHBondContact O-N 2.98Å; L191-S195 PolarHBondContact O-N 3.38Å; L191-Y338 HydrophobicContact CD1-CD2 3.89Å; L191-Y338 HydrophobicContact CD1-CE2 4.37Å; L191-Y338 HydrophobicContact CD2-CD2 4.18Å; L191-Y338 HydrophobicContact CD2-CE2 4.25Å; L191-Y338 HydrophobicContact CG-CD2 3.66Å; L191-Y338 HydrophobicContact CG-CE2 3.68Å; L191-Q341 HydrophobicContact CD2-CB 3.97Å; L191-L345 HydrophobicContact CD2-CD1 4.02Å
192	E	69.3	Low	71.4	Confident	43 Å²	43	70.2 Å²	70.2	20%	0.201	33%	0.332	C	S	.	.	H	α-helix	trans	-62.1	-42.7	176.1	-73.8	179.6	-176.8	0	0	112.5	Q188 F194 S195 N196	Q188-E192 WeakPolarHBondContact O-CB 3.44Å; Q188-E192 WeakPolarHBondContact O-CG 3.45Å; Q188-E192 PolarHBondContact O-N 2.97Å; E192-F194 VanDerWaalsContact C-N 3.34Å; E192-F194 PolarHBondContact O-N 3.1Å; E192-S195 WeakPolarHBondContact CA-OG 3.45Å; E192-S195 PolarHBondContact O-N 2.93Å; E192-S195 PolarHBondContact O-OG 3.23Å; E192-N196 WeakPolarHBondContact O-CB 3.44Å; E192-N196 PolarHBondContact O-N 2.92Å; E192-N196 PolarHBondContact O-ND2 3.31Å
193	N	72.8	Confident	70.6	Confident	46 Å²	46	68.2 Å²	68.2	25%	0.246	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-40.9	177.5	-77.9	-51.4	0	0	0	111.9	N189 V190 N196 N197 K223	N189-N193 VanDerWaalsContact O-CB 3.31Å; N189-N193 WeakPolarHBondContact O-CB 3.44Å; N189-N193 PolarHBondContact O-N 3.45Å; N189-N193 PolarHBondContact O-ND2 3.36Å; V190-N193 PolarHBondContact O-N 3.4Å; N193-N196 PolarHBondContact O-N 3.06Å; N193-N197 VanDerWaalsContact O-CG 3.28Å; N193-N197 PolarHBondContact O-N 3.43Å; N193-N197 PolarHBondContact O-ND2 3.01Å; N193-K223 WeakPolarHBondContact OD1-CE 3.37Å; N193-K223 PolarHBondContact OD1-NZ 3.01Å
194	F	75.5	Confident	69.3	Low	114 Å²	114	62.3 Å²	62.3	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-45	174.7	-173.7	-85.9	0	0	0	111.3	V190 L191 E192 N196 N197 L198 F334	V190-F194 PolarHBondContact O-N 2.86Å; L191-F194 PolarHBondContact O-N 2.98Å; E192-F194 VanDerWaalsContact C-N 3.34Å; E192-F194 PolarHBondContact O-N 3.1Å; F194-N196 VanDerWaalsContact C-N 3.35Å; F194-N196 PolarHBondContact O-N 3.18Å; F194-N197 PolarHBondContact O-N 3.22Å; F194-L198 WeakPolarHBondContact O-CB 3.43Å; F194-L198 PolarHBondContact O-N 3.39Å; F194-F334 HydrophobicContact CD1-CE1 4.4Å; F194-F334 AromaticContact CD1-CE2 3.84Å; F194-F334 HydrophobicContact CD1-CE2 3.84Å; F194-F334 AromaticContact CD1-CZ 3.51Å; F194-F334 HydrophobicContact CD1-CZ 3.51Å; F194-F334 HydrophobicContact CE1-CD2 4.31Å; F194-F334 HydrophobicContact CE1-CE1 4.36Å; F194-F334 AromaticContact CE1-CE2 3.52Å; F194-F334 HydrophobicContact CE1-CE2 3.52Å; F194-F334 AromaticContact CE1-CZ 3.57Å; F194-F334 HydrophobicContact CE1-CZ 3.57Å
195	S	67.6	Low	67.7	Low	1 Å²	1	68 Å²	68	1%	0.007	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-37.4	177.7	63.2	0	0	0	0	113.3	L191 E192 L198 L199 Y338	L191-S195 PolarHBondContact O-N 3.38Å; E192-S195 WeakPolarHBondContact CA-OG 3.45Å; E192-S195 PolarHBondContact O-N 2.93Å; E192-S195 PolarHBondContact O-OG 3.23Å; S195-L198 PolarHBondContact O-N 3.26Å; S195-L199 WeakPolarHBondContact O-CG 3.48Å; S195-L199 PolarHBondContact O-N 3.09Å; S195-Y338 VanDerWaalsContact CB-CE2 3.4Å; S195-Y338 VanDerWaalsContact OG-CE2 3.23Å; S195-Y338 WeakPolarHBondContact OG-CE2 3.37Å; S195-Y338 PolarHBondContact OG-OH 2.92Å
196	N	66.6	Low	66.4	Low	62 Å²	62	68.2 Å²	68.2	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-67.8	-41.9	177.8	-75.3	-42	0	0	0	111.7	E192 N193 F194 L199 W200	E192-N196 WeakPolarHBondContact O-CB 3.44Å; E192-N196 PolarHBondContact O-N 2.92Å; E192-N196 PolarHBondContact O-ND2 3.31Å; N193-N196 PolarHBondContact O-N 3.06Å; F194-N196 VanDerWaalsContact C-N 3.35Å; F194-N196 PolarHBondContact O-N 3.18Å; N196-L199 PolarHBondContact O-N 3.47Å; N196-W200 WeakPolarHBondContact O-CB 3.44Å; N196-W200 PolarHBondContact O-N 3.08Å
197	N	70	Confident	64.8	Low	103 Å²	103	68.3 Å²	68.3	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-63.8	-41	175.1	-70.6	-13.4	0	0	0	111.7	N193 F194 W200 N201	N193-N197 VanDerWaalsContact O-CG 3.28Å; N193-N197 PolarHBondContact O-N 3.43Å; N193-N197 PolarHBondContact O-ND2 3.01Å; F194-N197 PolarHBondContact O-N 3.22Å; N197-W200 PolarHBondContact O-N 3.49Å; N197-N201 PolarHBondContact O-N 2.9Å
198	L	67.3	Low	62.6	Low	46 Å²	46	70 Å²	70	24%	0.241	35%	0.352	C	S	.	.	H	α-helix	trans	-63.2	-46.1	176.8	-167.9	73.3	0	0	0	111.5	F194 S195 W200 N201 V202 F334 F335	F194-L198 WeakPolarHBondContact O-CB 3.43Å; F194-L198 PolarHBondContact O-N 3.39Å; S195-L198 PolarHBondContact O-N 3.26Å; L198-W200 VanDerWaalsContact C-N 3.32Å; L198-W200 PolarHBondContact O-N 2.96Å; L198-N201 PolarHBondContact O-N 2.93Å; L198-V202 WeakPolarHBondContact O-CG2 3.45Å; L198-V202 PolarHBondContact O-N 3.3Å; L198-F334 HydrophobicContact CD2-CD1 3.39Å; L198-F334 HydrophobicContact CD2-CE1 3.61Å; L198-F334 HydrophobicContact CD2-CG 4.09Å; L198-F334 HydrophobicContact CD2-CZ 4.44Å; L198-F335 HydrophobicContact CD2-CE2 4.41Å; L198-F335 HydrophobicContact CD2-CZ 4.21Å
199	L	63.9	Low	60.8	Low	12 Å²	12	77.1 Å²	77.1	6%	0.063	39%	0.385	C	S	.	.	H	α-helix	trans	-60.6	-39.5	175.1	-74.8	170.8	0	0	0	112.3	S195 N196 S203 M301 F335	S195-L199 WeakPolarHBondContact O-CG 3.48Å; S195-L199 PolarHBondContact O-N 3.09Å; N196-L199 PolarHBondContact O-N 3.47Å; L199-S203 WeakPolarHBondContact O-CB 3.19Å; L199-S203 PolarHBondContact O-N 2.95Å; L199-M301 HydrophobicContact CD2-SD 3.89Å; L199-F335 HydrophobicContact CD2-CE2 4.19Å; L199-F335 HydrophobicContact CD2-CZ 3.69Å; L199-F335 HydrophobicContact CG-CE1 4.49Å; L199-F335 HydrophobicContact CG-CZ 3.86Å
200	W	60.7	Low	58.8	Low	164 Å²	164	80 Å²	80	62%	0.621	40%	0.401	S	S	*	.	H	α-helix	trans	-66.4	-44.8	179	-173.4	82.8	0	0	0	112	N196 N197 L198 S203 N204	N196-W200 WeakPolarHBondContact O-CB 3.44Å; N196-W200 PolarHBondContact O-N 3.08Å; N197-W200 PolarHBondContact O-N 3.49Å; L198-W200 VanDerWaalsContact C-N 3.32Å; L198-W200 PolarHBondContact O-N 2.96Å; W200-S203 PolarHBondContact O-N 3.25Å; W200-N204 WeakPolarHBondContact CH2-ND2 3.47Å; W200-N204 WeakPolarHBondContact CZ2-ND2 3.46Å; W200-N204 WeakPolarHBondContact CZ3-ND2 3.14Å; W200-N204 PolarHBondContact O-N 3.01Å; W200-N204 VanDerWaalsContact O-N 3.1Å; W200-N204 PolarHBondContact O-ND2 2.72Å
201	N	60.7	Low	56.4	Low	84 Å²	84	82.3 Å²	82.3	45%	0.449	41%	0.409	S	S	.	.	H	α-helix	trans	-58.4	-51.6	176.6	-71.7	-9.6	0	0	0	111.7	N197 L198 S203 N204 E205	N197-N201 PolarHBondContact O-N 2.9Å; L198-N201 PolarHBondContact O-N 2.93Å; N201-S203 VanDerWaalsContact C-N 3.3Å; N201-S203 PolarHBondContact O-N 3.29Å; N201-N204 PolarHBondContact O-N 3.19Å; N201-N204 VanDerWaalsContact O-N 3.09Å; N201-E205 PolarHBondContact O-N 2.94Å; N201-E205 VanDerWaalsContact O-N 3.07Å
202	V	59.4	Low	54.1	Low	31 Å²	31	88.1 Å²	88.1	19%	0.188	44%	0.44	C	S	.	.	H	α-helix	trans	-66.9	-33.2	-179.1	-177.4	0	0	0	0	111.4	L198 N204 I206 M301 M331	L198-V202 WeakPolarHBondContact O-CG2 3.45Å; L198-V202 PolarHBondContact O-N 3.3Å; V202-N204 VanDerWaalsContact C-N 3.26Å; V202-N204 PolarHBondContact O-N 2.9Å; V202-I206 HydrophobicContact CG1-CD1 4.16Å; V202-I206 WeakPolarHBondContact O-CD1 3.44Å; V202-I206 VanDerWaalsContact O-CG1 3.3Å; V202-I206 WeakPolarHBondContact O-CG1 3.45Å; V202-I206 PolarHBondContact O-N 3.18Å; V202-M301 HydrophobicContact CB-CE 3.79Å; V202-M301 HydrophobicContact CG1-CE 3.37Å; V202-M331 HydrophobicContact CG1-SD 4.26Å; V202-M331 HydrophobicContact CG2-SD 4.26Å
203	S	55.3	Low	52.3	Low	52 Å²	52	94.6 Å²	94.6	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-27.4	173.5	-178.1	0	0	0	0	113.3	L199 W200 N201 K207	L199-S203 WeakPolarHBondContact O-CB 3.19Å; L199-S203 PolarHBondContact O-N 2.95Å; W200-S203 PolarHBondContact O-N 3.25Å; N201-S203 VanDerWaalsContact C-N 3.3Å; N201-S203 PolarHBondContact O-N 3.29Å; S203-K207 WeakPolarHBondContact O-CG 3.33Å
204	N	51.6	Low	50.2	Low	48 Å²	48	99.6 Å²	99.6	26%	0.257	50%	0.497	S	S	.	.	H	α-helix	trans	-83.5	-41	176.6	-69	-20.5	0	0	0	111.7	W200 N201 V202 I206 K207 D208	W200-N204 WeakPolarHBondContact CH2-ND2 3.47Å; W200-N204 WeakPolarHBondContact CZ2-ND2 3.46Å; W200-N204 WeakPolarHBondContact CZ3-ND2 3.14Å; W200-N204 PolarHBondContact O-N 3.01Å; W200-N204 VanDerWaalsContact O-N 3.1Å; W200-N204 PolarHBondContact O-ND2 2.72Å; N201-N204 PolarHBondContact O-N 3.19Å; N201-N204 VanDerWaalsContact O-N 3.09Å; V202-N204 VanDerWaalsContact C-N 3.26Å; V202-N204 PolarHBondContact O-N 2.9Å; N204-I206 PolarHBondContact O-N 2.95Å; N204-K207 WeakPolarHBondContact O-CA 3.42Å; N204-K207 WeakPolarHBondContact O-CB 3.39Å; N204-K207 PolarHBondContact O-N 2.95Å; N204-D208 PolarHBondContact O-N 3.43Å
205	E	47.2	Very low	47.9	Very low	129 Å²	129	100.5 Å²	100.5	60%	0.603	51%	0.507	S	S	*	.	H	α-helix	trans	-58.7	-29.5	173.7	-71.4	-178.9	152.4	0	0	112.5	N201	N201-E205 PolarHBondContact O-N 2.94Å; N201-E205 VanDerWaalsContact O-N 3.07Å
206	I	47.7	Very low	45.9	Very low	73 Å²	73	110 Å²	110	37%	0.374	54%	0.544	S	S	.	.	H	α-helix	trans	-74.2	-31.8	173	-67.4	166.9	0	0	0	112	V202 N204 M301	V202-I206 HydrophobicContact CG1-CD1 4.16Å; V202-I206 WeakPolarHBondContact O-CD1 3.44Å; V202-I206 VanDerWaalsContact O-CG1 3.3Å; V202-I206 WeakPolarHBondContact O-CG1 3.45Å; V202-I206 PolarHBondContact O-N 3.18Å; N204-I206 PolarHBondContact O-N 2.95Å; I206-M301 HydrophobicContact CD1-CE 4.21Å
207	K	41	Very low	44.1	Very low	138 Å²	138	113.8 Å²	113.8	60%	0.6	57%	0.565	S	S	*	*	H	α-helix	trans	-75.8	-31.8	178.9	-77.7	-172.9	173.5	-163.1	0	113.3	S203 N204 H209 D210	S203-K207 WeakPolarHBondContact O-CG 3.33Å; N204-K207 WeakPolarHBondContact O-CA 3.42Å; N204-K207 WeakPolarHBondContact O-CB 3.39Å; N204-K207 PolarHBondContact O-N 2.95Å; K207-H209 PolarHBondContact O-N 3.25Å; K207-D210 PolarHBondContact O-N 3Å; K207-D210 VanDerWaalsContact O-N 3.09Å
208	D	36.2	Very low	42	Very low	139 Å²	139	116.2 Å²	116.2	74%	0.743	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-7.8	177	-73.8	-24.2	0	0	0	113.6	N204	N204-D208 PolarHBondContact O-N 3.43Å
209	H	38	Very low	40	Very low	154 Å²	154	120.4 Å²	120.4	71%	0.713	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-10.5	175.1	-108.3	-59.7	0	0	0	115.9	K207	K207-H209 PolarHBondContact O-N 3.25Å
210	D	29.1	Very low	38.2	Very low	115 Å²	115	128.7 Å²	128.7	62%	0.615	64%	0.638	S	S	*	*	S	Bend	trans	-134	95.1	178.8	-81.8	-56	0	0	0	110.5	K207 K308	K207-D210 PolarHBondContact O-N 3Å; K207-D210 VanDerWaalsContact O-N 3.09Å; D210-K308 IonicContact OD2-NZ 2.73Å
211	N	28.6	Very low	36.6	Very low	150 Å²	150	125.7 Å²	125.7	80%	0.802	64%	0.638	S	S	*	*			trans	-65.7	139.2	172	-82.3	-58.3	0	0	0	111.1
212	N	28.3	Very low	35.3	Very low	146 Å²	146	125.6 Å²	125.6	78%	0.781	64%	0.637	S	S	*	*			trans	85.8	83.9	176.7	-45.6	-51.7	0	0	0	116.8
213	H	31.7	Very low	34	Very low	180 Å²	180	130.8 Å²	130.8	83%	0.833	66%	0.658	S	S	*	*				-170.8	126	105.1	-112.7	-70.3	0	0	0	112.2
214	D	27.1	Very low	32.7	Very low	151 Å²	151	134.6 Å²	134.6	81%	0.807	67%	0.673	S	S	*	*			trans	-81.2	124.8	162.5	-64.1	-56.6	0	0	0	109.5
215	D	27.3	Very low	31.8	Very low	133 Å²	133	136.6 Å²	136.6	71%	0.711	68%	0.684	S	S	*	*			trans	178.6	155	130.3	-116.4	-29.7	0	0	0	112.8
216	Y	26.7	Very low	31.2	Very low	199 Å²	199	137 Å²	137	78%	0.78	68%	0.681	S	S	*	*			trans	59.3	127.1	175.1	-56.7	-75.4	0	0	0	117.2
217	D	28.1	Very low	30.3	Very low	142 Å²	142	139 Å²	139	76%	0.759	69%	0.691	S	S	*	*			cis	-154.5	142.8	34.5	-101.6	-33.4	0	0	0	111.3
218	N	25.3	Very low	30	Very low	155 Å²	155	136.6 Å²	136.6	83%	0.829	69%	0.685	S	S	*	*			trans	-106.8	50.1	-177.1	-141.4	-15.7	0	0	0	112.2	H220	N218-H220 PolarHBondContact O-N 3.47Å
219	D	25.3	Very low	29.9	Very low	134 Å²	134	135.7 Å²	135.7	72%	0.717	67%	0.672	S	S	*	*			trans	-93.5	62.8	-171	-131.9	18.7	0	0	0	112.1	V221	D219-V221 PolarHBondContact O-N 3.35Å; D219-V221 WeakPolarHBondContact OD1-CG2 3.22Å
220	H	27.3	Very low	29.7	Very low	185 Å²	185	134 Å²	134	86%	0.856	66%	0.663	S	S	*	*			trans	-77.1	53.3	174.9	-119.9	-43.8	0	0	0	111.8	N218 N222	N218-H220 PolarHBondContact O-N 3.47Å; H220-N222 PolarHBondContact O-N 3.4Å
221	V	26	Very low	29.8	Very low	102 Å²	102	133 Å²	133	62%	0.618	66%	0.658	S	S	*	*			trans	-79.8	114.6	-175.6	179.1	0	0	0	0	111.7	D219	D219-V221 PolarHBondContact O-N 3.35Å; D219-V221 WeakPolarHBondContact OD1-CG2 3.22Å
222	N	34.3	Very low	30	Very low	81 Å²	81	130.7 Å²	130.7	43%	0.433	65%	0.645	S	S	.	*			trans	57.9	110.6	158.7	-76.3	-0.6	0	0	0	121	H220 D225	H220-N222 PolarHBondContact O-N 3.4Å; N222-D225 PolarHBondContact ND2-OD2 3.06Å; N222-D225 PolarHBondContact OD1-OD2 3.38Å
223	K	31.2	Very low	30	Very low	141 Å²	141	129.2 Å²	129.2	61%	0.613	63%	0.63	S	S	*	*	S	Bend	trans	-123.7	-7.8	156.5	-119.5	174.9	-171.8	168.2	0	115.3	N193	N193-K223 WeakPolarHBondContact OD1-CE 3.37Å; N193-K223 PolarHBondContact OD1-NZ 3.01Å
224	L	29.2	Very low	30	Very low	132 Å²	132	124.6 Å²	124.6	69%	0.691	61%	0.614	S	S	*	*	S	Bend	trans	-100.9	-36.8	-175.2	-127.1	73	0	0	0	113.9	Y226 L227	L224-Y226 VanDerWaalsContact C-N 3.31Å; L224-Y226 PolarHBondContact O-N 2.93Å; L224-L227 PolarHBondContact O-N 3.04Å
225	D	33.1	Very low	30.1	Very low	90 Å²	90	121.7 Å²	121.7	48%	0.481	60%	0.602	S	S	.	*	H	α-helix	trans	-62.5	-33.1	-172.9	-71.2	-7.3	0	0	0	114	N222 L227 N228 Y229	N222-D225 PolarHBondContact ND2-OD2 3.06Å; N222-D225 PolarHBondContact OD1-OD2 3.38Å; D225-L227 VanDerWaalsContact C-N 3.34Å; D225-L227 PolarHBondContact O-N 3.39Å; D225-N228 PolarHBondContact O-N 3.05Å; D225-Y229 PolarHBondContact O-N 2.88Å
226	Y	33.5	Very low	30.2	Very low	138 Å²	138	123 Å²	123	54%	0.541	60%	0.598	S	S	.	*	H	α-helix	trans	-69.3	-26.9	-178.5	-72.3	-75.6	0	0	0	114.1	L224	L224-Y226 VanDerWaalsContact C-N 3.31Å; L224-Y226 PolarHBondContact O-N 2.93Å
227	L	29.6	Very low	30.3	Very low	113 Å²	113	118.9 Å²	118.9	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-77.8	-29.6	175.4	-82.9	164.7	0	0	0	112.2	L224 D225 N231	L224-L227 PolarHBondContact O-N 3.04Å; D225-L227 VanDerWaalsContact C-N 3.34Å; D225-L227 PolarHBondContact O-N 3.39Å; L227-N231 PolarHBondContact O-N 3.2Å; L227-N231 PolarHBondContact O-ND2 3.48Å
228	N	33.5	Very low	30.3	Very low	89 Å²	89	118.8 Å²	118.8	48%	0.476	59%	0.589	S	S	.	*	H	α-helix	trans	-72.4	-38.9	175.4	-70.5	-25.4	0	0	0	111.5	D225 F230 N231 D232	D225-N228 PolarHBondContact O-N 3.05Å; N228-F230 VanDerWaalsContact C-N 3.26Å; N228-F230 PolarHBondContact O-N 3.43Å; N228-F230 VanDerWaalsContact O-N 3.15Å; N228-N231 PolarHBondContact O-N 2.86Å; N228-D232 PolarHBondContact O-N 3.24Å; N228-D232 VanDerWaalsContact O-N 3.08Å
229	Y	35.2	Very low	30.2	Very low	120 Å²	120	117.6 Å²	117.6	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-57.2	-33.3	-177.8	-163	-102.6	0	0	0	114.1	D225 Y233	D225-Y229 PolarHBondContact O-N 2.88Å; Y229-Y233 HydrophobicContact CD1-CE2 4.42Å; Y229-Y233 AromaticContact CE1-CE2 3.97Å; Y229-Y233 HydrophobicContact CE1-CE2 3.97Å; Y229-Y233 WeakPolarHBondContact O-CD2 3.48Å
230	F	33.2	Very low	30.3	Very low	119 Å²	119	116.4 Å²	116.4	52%	0.522	58%	0.578	S	S	.	*	H	α-helix	trans	-90.8	-21.5	175.5	-94.9	-79.8	0	0	0	114.7	N228 D232 Y233 T234	N228-F230 VanDerWaalsContact C-N 3.26Å; N228-F230 PolarHBondContact O-N 3.43Å; N228-F230 VanDerWaalsContact O-N 3.15Å; F230-D232 VanDerWaalsContact C-N 3.26Å; F230-D232 PolarHBondContact O-N 3.24Å; F230-Y233 HydrophobicContact CD1-CD2 4.29Å; F230-Y233 HydrophobicContact CD1-CG 4.48Å; F230-Y233 HydrophobicContact CE1-CD2 4.45Å; F230-Y233 WeakPolarHBondContact O-CB 3.37Å; F230-Y233 PolarHBondContact O-N 2.96Å; F230-Y233 VanDerWaalsContact O-N 3.15Å; F230-T234 PolarHBondContact O-N 2.84Å
231	N	31.9	Very low	30.3	Very low	94 Å²	94	111.8 Å²	111.8	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-67.3	-30.5	168.9	-79.1	-22	0	0	0	111.4	L227 N228 Y233 T234 T235	L227-N231 PolarHBondContact O-N 3.2Å; L227-N231 PolarHBondContact O-ND2 3.48Å; N228-N231 PolarHBondContact O-N 2.86Å; N231-Y233 VanDerWaalsContact C-N 3.31Å; N231-Y233 PolarHBondContact O-N 2.65Å; N231-T234 WeakPolarHBondContact CA-OG1 3.36Å; N231-T234 PolarHBondContact O-N 3.48Å; N231-T234 PolarHBondContact O-OG1 2.75Å; N231-T235 PolarHBondContact O-N 2.99Å; N231-T235 PolarHBondContact O-OG1 2.88Å
232	D	31.6	Very low	30.5	Very low	100 Å²	100	115.4 Å²	115.4	54%	0.535	58%	0.577	S	S	.	*	H	α-helix	trans	-65.5	-32.7	169.6	-75.3	-23.7	0	0	0	112.2	N228 F230 T235 Y236	N228-D232 PolarHBondContact O-N 3.24Å; N228-D232 VanDerWaalsContact O-N 3.08Å; F230-D232 VanDerWaalsContact C-N 3.26Å; F230-D232 PolarHBondContact O-N 3.24Å; D232-T235 CarbonylContact O-C 3.59Å; D232-T235 WeakPolarHBondContact O-CA 3.25Å; D232-T235 WeakPolarHBondContact O-CB 3.35Å; D232-T235 PolarHBondContact O-N 2.82Å; D232-T235 VanDerWaalsContact O-N 3.1Å; D232-Y236 PolarHBondContact O-N 3.3Å
233	Y	29.9	Very low	30	Very low	115 Å²	115	116 Å²	116	45%	0.451	59%	0.587	S	S	.	*	H	α-helix	trans	-68.6	-33.9	172.3	-88.5	-81.1	0	0	0	113.4	Y229 F230 N231 T235 N237	Y229-Y233 HydrophobicContact CD1-CE2 4.42Å; Y229-Y233 AromaticContact CE1-CE2 3.97Å; Y229-Y233 HydrophobicContact CE1-CE2 3.97Å; Y229-Y233 WeakPolarHBondContact O-CD2 3.48Å; F230-Y233 HydrophobicContact CD1-CD2 4.29Å; F230-Y233 HydrophobicContact CD1-CG 4.48Å; F230-Y233 HydrophobicContact CE1-CD2 4.45Å; F230-Y233 WeakPolarHBondContact O-CB 3.37Å; F230-Y233 PolarHBondContact O-N 2.96Å; F230-Y233 VanDerWaalsContact O-N 3.15Å; N231-Y233 VanDerWaalsContact C-N 3.31Å; N231-Y233 PolarHBondContact O-N 2.65Å; Y233-T235 VanDerWaalsContact C-N 3.27Å; Y233-N237 PolarHBondContact O-ND2 2.97Å
234	T	30.3	Very low	29.7	Very low	84 Å²	84	114.7 Å²	114.7	52%	0.515	60%	0.596	S	S	.	*	H	α-helix	trans	-69.8	-25.9	168.3	43.5	0	0	0	0	112.8	F230 N231	F230-T234 PolarHBondContact O-N 2.84Å; N231-T234 WeakPolarHBondContact CA-OG1 3.36Å; N231-T234 PolarHBondContact O-N 3.48Å; N231-T234 PolarHBondContact O-OG1 2.75Å
235	T	30	Very low	29.6	Very low	90 Å²	90	116 Å²	116	55%	0.552	60%	0.601	S	S	*	*	H	α-helix	trans	-79.6	-32.2	176.5	-53.6	0	0	0	0	111.9	N231 D232 Y233 N237 N238	N231-T235 PolarHBondContact O-N 2.99Å; N231-T235 PolarHBondContact O-OG1 2.88Å; D232-T235 CarbonylContact O-C 3.59Å; D232-T235 WeakPolarHBondContact O-CA 3.25Å; D232-T235 WeakPolarHBondContact O-CB 3.35Å; D232-T235 PolarHBondContact O-N 2.82Å; D232-T235 VanDerWaalsContact O-N 3.1Å; Y233-T235 VanDerWaalsContact C-N 3.27Å; T235-N237 PolarHBondContact O-N 3.41Å; T235-N238 PolarHBondContact O-N 2.63Å
236	Y	29.1	Very low	29.2	Very low	161 Å²	161	120.2 Å²	120.2	63%	0.631	62%	0.623	S	S	*	*	H	α-helix	trans	-67.6	-20.5	173.8	-123.9	-85.7	0	0	0	113.6	D232 N238 M239	D232-Y236 PolarHBondContact O-N 3.3Å; Y236-N238 PolarHBondContact O-N 3.12Å; Y236-M239 PolarHBondContact O-N 2.94Å
237	N	28.5	Very low	28.8	Very low	112 Å²	112	117.3 Å²	117.3	60%	0.599	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	9.2	175.1	-71.2	-32.1	0	0	0	114.1	Y233 T235	Y233-N237 PolarHBondContact O-ND2 2.97Å; T235-N237 PolarHBondContact O-N 3.41Å
238	N	28.1	Very low	28.7	Very low	139 Å²	139	120.9 Å²	120.9	74%	0.743	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	12.1	165.9	-77.3	-45.9	0	0	0	113.1	T235 Y236	T235-N238 PolarHBondContact O-N 2.63Å; Y236-N238 PolarHBondContact O-N 3.12Å
239	M	24	Very low	28.4	Very low	130 Å²	130	126.5 Å²	126.5	64%	0.64	67%	0.671	S	S	*	*			trans	-117.1	70.4	171.8	-70.3	-161.8	-141.7	0	0	112.6	Y236 T241	Y236-M239 PolarHBondContact O-N 2.94Å; M239-T241 VanDerWaalsContact C-N 3.28Å
240	T	27.9	Very low	28.2	Very low	109 Å²	109	127.4 Å²	127.4	67%	0.669	68%	0.683	S	S	*	*			trans	-92.1	69.5	142.6	46.6	0	0	0	0	108.4
241	T	27.1	Very low	28	Very low	88 Å²	88	127 Å²	127	54%	0.54	69%	0.693	S	S	.	*			trans	-109.2	90.7	168.1	-36.7	0	0	0	0	107.7	M239 S243	M239-T241 VanDerWaalsContact C-N 3.28Å; T241-S243 VanDerWaalsContact CG2-OG 3.3Å; T241-S243 WeakPolarHBondContact CG2-OG 3.47Å; T241-S243 PolarHBondContact O-N 3.32Å
242	I	28.8	Very low	27.9	Very low	179 Å²	179	130.3 Å²	130.3	92%	0.918	71%	0.711	S	S	*	*			trans	-75.8	75.4	170.7	-56.4	177.8	0	0	0	107.5
243	S	25	Very low	28	Very low	93 Å²	93	131.1 Å²	131.1	65%	0.65	72%	0.715	S	S	*	*			trans	-131.5	55.7	-177.1	68.7	0	0	0	0	112.5	T241	T241-S243 VanDerWaalsContact CG2-OG 3.3Å; T241-S243 WeakPolarHBondContact CG2-OG 3.47Å; T241-S243 PolarHBondContact O-N 3.32Å
244	S	25	Very low	28.5	Very low	113 Å²	113	132.2 Å²	132.2	79%	0.79	73%	0.729	S	S	*	*			trans	-153.9	60.2	166.5	71.3	0	0	0	0	113.8
245	M	25.6	Very low	28.8	Very low	161 Å²	161	131.5 Å²	131.5	79%	0.793	73%	0.727	S	S	*	*			trans	-140.9	70.5	158	-78.5	-158.5	171.8	0	0	111.1
246	N	26.1	Very low	29.2	Very low	177 Å²	177	132.7 Å²	132.7	95%	0.947	73%	0.73	S	S	*	*			trans	-80.4	122.6	160.9	-85.8	-19.2	0	0	0	108.8
247	G	25.4	Very low	30	Very low	78 Å²	78	129.1 Å²	129.1	80%	0.804	72%	0.718	S	S	*	*			trans	114.5	56.6	163.6	0	0	0	0	0	117.5
248	M	26.1	Very low	30.7	Very low	187 Å²	187	128.3 Å²	128.3	92%	0.921	71%	0.713	S	S	*	*			trans	-136.6	132.1	153.5	-92.2	-172.9	165.8	0	0	110.5
249	K	28.8	Very low	31.4	Very low	207 Å²	207	128.1 Å²	128.1	90%	0.9	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-72.6	128	170.7	-72.1	-178.9	175.2	-178.8	0	108.6
250	L	29.6	Very low	32.4	Very low	139 Å²	139	125.1 Å²	125.1	73%	0.728	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-74.7	131.1	175.4	-73.1	162.3	0	0	0	110.6	F257	L250-F257 HydrophobicContact CD2-CD2 4.03Å; L250-F257 HydrophobicContact CD2-CE2 3.89Å
251	P	28.6	Very low	33.5	Very low	112 Å²	112	127.7 Å²	127.7	73%	0.727	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-84.9	149.7	162.2	34.1	-30.8	0	0	0	110.6	N253	P251-N253 PolarHBondContact O-N 2.73Å
252	N	30.6	Very low	34.6	Very low	162 Å²	162	129.3 Å²	129.3	87%	0.866	70%	0.695	S	S	*	*	S	Bend	trans	-74.4	93.8	176	-71.4	-11.5	0	0	0	110.8
253	N	34	Very low	36	Very low	117 Å²	117	126.3 Å²	126.3	63%	0.626	68%	0.677	S	S	*	*			trans	-175.1	127.7	146.3	-93.9	-20.1	0	0	0	111	P251 S255	P251-N253 PolarHBondContact O-N 2.73Å; N253-S255 PolarHBondContact O-N 3.04Å
254	N	40	Very low	37.4	Very low	138 Å²	138	126.9 Å²	126.9	74%	0.738	67%	0.669	S	S	*	*	H	α-helix	trans	-75.2	-19.2	-169.7	-71.4	-16.6	0	0	0	114.8
255	S	37.4	Very low	38.8	Very low	70 Å²	70	126.5 Å²	126.5	49%	0.49	66%	0.655	S	S	.	*	H	α-helix	trans	-64.9	-46.9	-179.8	53.1	0	0	0	0	112.8	N253 F257 L258 M259	N253-S255 PolarHBondContact O-N 3.04Å; S255-F257 VanDerWaalsContact C-N 3.33Å; S255-F257 PolarHBondContact O-N 3.02Å; S255-L258 PolarHBondContact O-N 2.85Å; S255-M259 PolarHBondContact O-N 3.28Å
256	D	38.4	Very low	40.4	Very low	114 Å²	114	123.9 Å²	123.9	61%	0.61	64%	0.64	S	S	*	*	H	α-helix	trans	-75.8	-29.1	-170.9	-62.4	-1.9	0	0	0	110.9	S260	D256-S260 WeakPolarHBondContact O-CB 3.41Å; D256-S260 PolarHBondContact O-N 3.26Å
257	F	44.3	Very low	42	Very low	87 Å²	87	120.1 Å²	120.1	38%	0.382	62%	0.617	S	S	.	*	H	α-helix	trans	-63.5	-43.3	173.2	-175.2	-106	0	0	0	112.2	L250 S255 R261	L250-F257 HydrophobicContact CD2-CD2 4.03Å; L250-F257 HydrophobicContact CD2-CE2 3.89Å; S255-F257 VanDerWaalsContact C-N 3.33Å; S255-F257 PolarHBondContact O-N 3.02Å; F257-R261 HydrophobicContact CE1-CG 4.45Å; F257-R261 HydrophobicContact CZ-CG 4.4Å; F257-R261 WeakPolarHBondContact O-CB 3.39Å; F257-R261 PolarHBondContact O-N 2.92Å
258	L	44.1	Very low	43.5	Very low	95 Å²	95	121.5 Å²	121.5	50%	0.497	60%	0.603	S	S	.	*	H	α-helix	trans	-66.9	-44.6	178.4	-71.4	169.4	0	0	0	111.8	S255 R262	S255-L258 PolarHBondContact O-N 2.85Å; L258-R262 WeakPolarHBondContact O-CB 3.33Å; L258-R262 WeakPolarHBondContact O-CG 3.22Å; L258-R262 PolarHBondContact O-N 3.26Å
259	M	42.2	Very low	44.8	Very low	135 Å²	135	116.6 Å²	116.6	67%	0.665	58%	0.577	S	S	*	*	H	α-helix	trans	-62.9	-45.4	175.7	-73.8	-74.4	-95.3	0	0	111.7	S255 R262 H263	S255-M259 PolarHBondContact O-N 3.28Å; M259-R262 PolarHBondContact O-N 3.06Å; M259-H263 WeakPolarHBondContact O-CB 3.32Å; M259-H263 PolarHBondContact O-N 3.16Å
260	S	46.4	Very low	46.3	Very low	67 Å²	67	112.7 Å²	112.7	47%	0.469	56%	0.563	S	S	.	*	H	α-helix	trans	-66	-41.8	-180	-167.2	0	0	0	0	112.5	D256 H263 Q264	D256-S260 WeakPolarHBondContact O-CB 3.41Å; D256-S260 PolarHBondContact O-N 3.26Å; S260-H263 PolarHBondContact O-N 3.21Å; S260-Q264 PolarHBondContact O-N 3.38Å
261	R	49.8	Very low	47.4	Very low	162 Å²	162	112 Å²	112	61%	0.611	56%	0.556	S	S	*	*	H	α-helix	trans	-61.3	-49.5	172.7	-89.9	-169.7	167.9	-172.3	0.2	112.4	F257 H263 Q264 H265	F257-R261 HydrophobicContact CE1-CG 4.45Å; F257-R261 HydrophobicContact CZ-CG 4.4Å; F257-R261 WeakPolarHBondContact O-CB 3.39Å; F257-R261 PolarHBondContact O-N 2.92Å; R261-H263 VanDerWaalsContact C-N 3.26Å; R261-H263 PolarHBondContact O-N 3.21Å; R261-Q264 PolarHBondContact O-N 3.02Å; R261-H265 WeakPolarHBondContact O-CB 3.2Å; R261-H265 PolarHBondContact O-N 3.14Å
262	R	50.7	Low	48.5	Very low	123 Å²	123	111.1 Å²	111.1	46%	0.464	54%	0.542	S	S	.	.	H	α-helix	trans	-56.5	-42.6	177.5	-80.2	-180	173.8	162.1	-1.1	111.1	L258 M259 Q266 E372	L258-R262 WeakPolarHBondContact O-CB 3.33Å; L258-R262 WeakPolarHBondContact O-CG 3.22Å; L258-R262 PolarHBondContact O-N 3.26Å; M259-R262 PolarHBondContact O-N 3.06Å; R262-Q266 WeakPolarHBondContact O-CB 3.25Å; R262-Q266 WeakPolarHBondContact O-CG 3.37Å; R262-Q266 PolarHBondContact O-N 3.15Å; R262-E372 IonicContact CZ-OE1 3.84Å; R262-E372 IonicContact NH2-OE1 2.67Å; R262-E372 PolarHBondContact NH2-OE1 3.14Å
263	H	58.8	Low	49.7	Very low	115 Å²	115	106.5 Å²	106.5	53%	0.532	52%	0.515	S	S	.	.	H	α-helix	trans	-73.4	-41.8	-177.6	-142.3	38.4	0	0	0	113.3	M259 S260 R261 Q267	M259-H263 WeakPolarHBondContact O-CB 3.32Å; M259-H263 PolarHBondContact O-N 3.16Å; S260-H263 PolarHBondContact O-N 3.21Å; R261-H263 VanDerWaalsContact C-N 3.26Å; R261-H263 PolarHBondContact O-N 3.21Å; H263-Q267 WeakPolarHBondContact O-CG 3.44Å; H263-Q267 PolarHBondContact O-N 3.02Å
264	Q	52.9	Low	50.7	Low	106 Å²	106	108.1 Å²	108.1	50%	0.495	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-40.8	172.5	-79.8	-170.9	-27.7	0	0	112.2	S260 R261 Q267 Q268	S260-Q264 PolarHBondContact O-N 3.38Å; R261-Q264 PolarHBondContact O-N 3.02Å; Q264-Q267 PolarHBondContact O-N 3.29Å; Q264-Q268 PolarHBondContact O-N 3.04Å
265	H	54.8	Low	51.3	Low	105 Å²	105	106.1 Å²	106.1	49%	0.486	51%	0.505	S	S	.	.	H	α-helix	trans	-68.8	-41.5	179.7	-161.9	49.9	0	0	0	111.8	R261 Q267 Q268 Q269	R261-H265 WeakPolarHBondContact O-CB 3.2Å; R261-H265 PolarHBondContact O-N 3.14Å; H265-Q267 VanDerWaalsContact C-N 3.35Å; H265-Q267 PolarHBondContact O-N 3.47Å; H265-Q268 PolarHBondContact O-N 3.21Å; H265-Q269 PolarHBondContact CD2-NE2 2.98Å; H265-Q269 PolarHBondContact NE2-NE2 3.32Å; H265-Q269 WeakPolarHBondContact O-CB 3.49Å; H265-Q269 WeakPolarHBondContact O-CG 3.47Å; H265-Q269 PolarHBondContact O-N 3.18Å
266	Q	59	Low	52	Low	105 Å²	105	107.1 Å²	107.1	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-56.3	-45.6	170.3	-85.5	-175	-21.1	0	0	112.4	R262 Q268 Q269 Q270	R262-Q266 WeakPolarHBondContact O-CB 3.25Å; R262-Q266 WeakPolarHBondContact O-CG 3.37Å; R262-Q266 PolarHBondContact O-N 3.15Å; Q266-Q268 PolarHBondContact O-N 3.4Å; Q266-Q269 PolarHBondContact O-N 3.41Å; Q266-Q270 WeakPolarHBondContact O-CB 3.49Å; Q266-Q270 VanDerWaalsContact O-CG 3.28Å; Q266-Q270 WeakPolarHBondContact O-CG 3.36Å; Q266-Q270 PolarHBondContact O-N 3.24Å
267	Q	59.9	Low	52.6	Low	98 Å²	98	106.2 Å²	106.2	46%	0.458	49%	0.49	S	S	.	.	H	α-helix	trans	-63.7	-41.8	178.8	-72.5	-177.7	21.7	0	0	112.3	H263 Q264 H265 Q270 Q271	H263-Q267 WeakPolarHBondContact O-CG 3.44Å; H263-Q267 PolarHBondContact O-N 3.02Å; Q264-Q267 PolarHBondContact O-N 3.29Å; H265-Q267 VanDerWaalsContact C-N 3.35Å; H265-Q267 PolarHBondContact O-N 3.47Å; Q267-Q270 PolarHBondContact O-N 3.43Å; Q267-Q271 WeakPolarHBondContact O-CB 3.38Å; Q267-Q271 WeakPolarHBondContact O-CG 3.28Å; Q267-Q271 PolarHBondContact O-N 2.86Å
268	Q	56.3	Low	52.7	Low	108 Å²	108	107.9 Å²	107.9	51%	0.505	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-43.7	173.7	-87.9	-171.2	-13.3	0	0	112.5	Q264 H265 Q266 Q270 Q271 Q272	Q264-Q268 PolarHBondContact O-N 3.04Å; H265-Q268 PolarHBondContact O-N 3.21Å; Q266-Q268 PolarHBondContact O-N 3.4Å; Q268-Q270 PolarHBondContact O-N 2.86Å; Q268-Q271 PolarHBondContact O-N 3.32Å; Q268-Q272 WeakPolarHBondContact O-CB 3.39Å; Q268-Q272 WeakPolarHBondContact O-CG 3.5Å; Q268-Q272 PolarHBondContact O-N 3.32Å
269	Q	55	Low	52.8	Low	83 Å²	83	107.7 Å²	107.7	39%	0.388	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-45.4	176.6	-72.5	-173.1	16.4	0	0	111.1	H265 Q266 Q272 H273	H265-Q269 PolarHBondContact CD2-NE2 2.98Å; H265-Q269 PolarHBondContact NE2-NE2 3.32Å; H265-Q269 WeakPolarHBondContact O-CB 3.49Å; H265-Q269 WeakPolarHBondContact O-CG 3.47Å; H265-Q269 PolarHBondContact O-N 3.18Å; Q266-Q269 PolarHBondContact O-N 3.41Å; Q269-Q272 PolarHBondContact O-N 3.43Å; Q269-H273 WeakPolarHBondContact O-CB 3.4Å; Q269-H273 PolarHBondContact O-N 2.79Å
270	Q	59.5	Low	53.1	Low	126 Å²	126	104.4 Å²	104.4	59%	0.589	48%	0.481	S	S	*	.	H	α-helix	trans	-62.2	-44.6	176.9	-73	174.9	10.2	0	0	112.6	Q266 Q267 Q268 H273 K274	Q266-Q270 WeakPolarHBondContact O-CB 3.49Å; Q266-Q270 VanDerWaalsContact O-CG 3.28Å; Q266-Q270 WeakPolarHBondContact O-CG 3.36Å; Q266-Q270 PolarHBondContact O-N 3.24Å; Q267-Q270 PolarHBondContact O-N 3.43Å; Q268-Q270 PolarHBondContact O-N 2.86Å; Q270-H273 PolarHBondContact O-N 2.86Å; Q270-K274 WeakPolarHBondContact O-CB 3.46Å; Q270-K274 PolarHBondContact O-N 3.3Å
271	Q	53	Low	53.1	Low	125 Å²	125	106.2 Å²	106.2	58%	0.584	49%	0.486	S	S	*	.	H	α-helix	trans	-63	-44.8	176.9	-74.3	-179.2	14.3	0	0	111.8	Q267 Q268 H273 K274 I275	Q267-Q271 WeakPolarHBondContact O-CB 3.38Å; Q267-Q271 WeakPolarHBondContact O-CG 3.28Å; Q267-Q271 PolarHBondContact O-N 2.86Å; Q268-Q271 PolarHBondContact O-N 3.32Å; Q271-H273 PolarHBondContact O-N 3.4Å; Q271-K274 PolarHBondContact O-N 3.41Å; Q271-I275 WeakPolarHBondContact O-CG1 3.4Å; Q271-I275 PolarHBondContact O-N 2.85Å
272	Q	52.4	Low	53	Low	93 Å²	93	105.7 Å²	105.7	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-38.2	176.2	-69.7	-175.8	24.1	0	0	112.3	Q268 Q269 K274 I275 R276	Q268-Q272 WeakPolarHBondContact O-CB 3.39Å; Q268-Q272 WeakPolarHBondContact O-CG 3.5Å; Q268-Q272 PolarHBondContact O-N 3.32Å; Q269-Q272 PolarHBondContact O-N 3.43Å; Q272-K274 VanDerWaalsContact C-N 3.32Å; Q272-K274 PolarHBondContact O-N 3.22Å; Q272-I275 PolarHBondContact O-N 3Å; Q272-R276 WeakPolarHBondContact O-CB 3.37Å; Q272-R276 VanDerWaalsContact O-CG 3.25Å; Q272-R276 WeakPolarHBondContact O-CG 3.22Å; Q272-R276 PolarHBondContact O-N 3.34Å
273	H	55.6	Low	52.7	Low	65 Å²	65	102.4 Å²	102.4	30%	0.301	48%	0.484	S	S	.	.	H	α-helix	trans	-61.7	-41.6	175.9	-162.8	-11.2	0	0	0	111.4	Q269 Q270 Q271 R276 Q277 E357	Q269-H273 WeakPolarHBondContact O-CB 3.4Å; Q269-H273 PolarHBondContact O-N 2.79Å; Q270-H273 PolarHBondContact O-N 2.86Å; Q271-H273 PolarHBondContact O-N 3.4Å; H273-R276 PolarHBondContact O-N 3.43Å; H273-Q277 WeakPolarHBondContact O-CG 3.38Å; H273-Q277 PolarHBondContact O-N 3.35Å; H273-E357 IonicContact CE1-OE1 3.14Å; H273-E357 PolarHBondContact CE1-OE1 3.22Å; H273-E357 IonicContact CE1-OE2 2.66Å; H273-E357 IonicContact ND1-OE1 3.97Å; H273-E357 IonicContact NE2-OE1 2.59Å
274	K	53.9	Low	52.3	Low	151 Å²	151	99.7 Å²	99.7	66%	0.657	47%	0.473	S	S	*	.	H	α-helix	trans	-67	-41	178.1	-148.5	168.8	-168.4	172.9	0	112.5	Q270 Q271 Q272 L278	Q270-K274 WeakPolarHBondContact O-CB 3.46Å; Q270-K274 PolarHBondContact O-N 3.3Å; Q271-K274 PolarHBondContact O-N 3.41Å; Q272-K274 VanDerWaalsContact C-N 3.32Å; Q272-K274 PolarHBondContact O-N 3.22Å; K274-L278 WeakPolarHBondContact O-CG 3.38Å; K274-L278 PolarHBondContact O-N 3.49Å
275	I	53.4	Low	52	Low	96 Å²	96	98.2 Å²	98.2	49%	0.492	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-44.1	173.1	-68.5	168.3	0	0	0	110.5	Q271 Q272 L278 H279	Q271-I275 WeakPolarHBondContact O-CG1 3.4Å; Q271-I275 PolarHBondContact O-N 2.85Å; Q272-I275 PolarHBondContact O-N 3Å; I275-L278 WeakPolarHBondContact O-CB 3.41Å; I275-L278 PolarHBondContact O-N 3.46Å; I275-H279 PolarHBondContact O-CD2 2.84Å; I275-H279 PolarHBondContact O-N 2.66Å; I275-H279 VanDerWaalsContact O-N 3.12Å
276	R	51.5	Low	51.7	Low	90 Å²	90	96 Å²	96	34%	0.34	47%	0.469	S	S	.	.	H	α-helix	trans	-62.6	-44.8	177.9	-71.9	177	-140.4	152.9	3.6	112.6	Q272 H273 L278 H279 Q280	Q272-R276 WeakPolarHBondContact O-CB 3.37Å; Q272-R276 VanDerWaalsContact O-CG 3.25Å; Q272-R276 WeakPolarHBondContact O-CG 3.22Å; Q272-R276 PolarHBondContact O-N 3.34Å; H273-R276 PolarHBondContact O-N 3.43Å; R276-L278 VanDerWaalsContact C-N 3.28Å; R276-L278 PolarHBondContact O-N 2.94Å; R276-H279 PolarHBondContact O-N 3Å; R276-Q280 WeakPolarHBondContact O-CB 3.39Å; R276-Q280 PolarHBondContact O-N 3.27Å
277	Q	50.8	Low	51.2	Low	96 Å²	96	93.3 Å²	93.3	45%	0.449	46%	0.457	S	S	.	.	H	α-helix	trans	-57.1	-40.6	174.3	-76.5	179.9	-4.9	0	0	112	H273 H279 Q280 N281	H273-Q277 WeakPolarHBondContact O-CG 3.38Å; H273-Q277 PolarHBondContact O-N 3.35Å; Q277-H279 VanDerWaalsContact C-N 3.35Å; Q277-H279 PolarHBondContact O-N 3.48Å; Q277-Q280 PolarHBondContact O-N 3.02Å; Q277-N281 VanDerWaalsContact O-CB 3.29Å; Q277-N281 WeakPolarHBondContact O-CB 3.48Å; Q277-N281 VanDerWaalsContact O-CG 3.22Å; Q277-N281 PolarHBondContact O-N 3.49Å; Q277-N281 PolarHBondContact O-ND2 3.24Å; Q277-N281 VanDerWaalsContact O-ND2 3.12Å
278	L	46.8	Very low	50.9	Low	122 Å²	122	95.8 Å²	95.8	64%	0.639	47%	0.466	S	S	*	.	H	α-helix	trans	-62.6	-38.2	175	-73.2	165.2	0	0	0	112.6	K274 I275 R276 K282	K274-L278 WeakPolarHBondContact O-CG 3.38Å; K274-L278 PolarHBondContact O-N 3.49Å; I275-L278 WeakPolarHBondContact O-CB 3.41Å; I275-L278 PolarHBondContact O-N 3.46Å; R276-L278 VanDerWaalsContact C-N 3.28Å; R276-L278 PolarHBondContact O-N 2.94Å; L278-K282 WeakPolarHBondContact O-CB 3.42Å; L278-K282 PolarHBondContact O-N 3.1Å
279	H	46.3	Very low	50.7	Low	90 Å²	90	92.9 Å²	92.9	42%	0.417	46%	0.458	S	S	.	.	H	α-helix	trans	-73.1	-41.2	176.7	-78.6	-78.3	0	0	0	113.2	I275 R276 Q277 K282 S283	I275-H279 PolarHBondContact O-CD2 2.84Å; I275-H279 PolarHBondContact O-N 2.66Å; I275-H279 VanDerWaalsContact O-N 3.12Å; R276-H279 PolarHBondContact O-N 3Å; Q277-H279 VanDerWaalsContact C-N 3.35Å; Q277-H279 PolarHBondContact O-N 3.48Å; H279-K282 WeakPolarHBondContact O-CA 3.49Å; H279-K282 VanDerWaalsContact O-CB 3.31Å; H279-K282 WeakPolarHBondContact O-CB 3.49Å; H279-K282 PolarHBondContact O-N 3.46Å; H279-S283 PolarHBondContact O-N 3.37Å; H279-S283 VanDerWaalsContact O-N 3.08Å
280	Q	48	Very low	50.6	Low	66 Å²	66	93.8 Å²	93.8	31%	0.308	46%	0.461	S	S	.	.	H	α-helix	trans	-66.6	-38.5	178.6	-152.6	167.7	-1.9	0	0	111.2	R276 Q277 K282 S283 N284	R276-Q280 WeakPolarHBondContact O-CB 3.39Å; R276-Q280 PolarHBondContact O-N 3.27Å; Q277-Q280 PolarHBondContact O-N 3.02Å; Q280-K282 VanDerWaalsContact C-N 3.25Å; Q280-K282 PolarHBondContact O-N 2.93Å; Q280-S283 PolarHBondContact O-N 2.85Å; Q280-S283 PolarHBondContact O-OG 2.7Å; Q280-N284 WeakPolarHBondContact O-CB 3.3Å; Q280-N284 PolarHBondContact O-N 3.19Å; Q280-N284 VanDerWaalsContact O-N 3.07Å; Q280-N284 PolarHBondContact O-ND2 2.94Å; Q280-N284 PolarHBondContact O-OD1 2.97Å
281	N	47.5	Very low	50.4	Low	105 Å²	105	89.3 Å²	89.3	56%	0.561	44%	0.439	S	S	*	.	H	α-helix	trans	-63.9	-30	169.7	-73.7	-29.4	0	0	0	112.7	Q277 S285	Q277-N281 VanDerWaalsContact O-CB 3.29Å; Q277-N281 WeakPolarHBondContact O-CB 3.48Å; Q277-N281 VanDerWaalsContact O-CG 3.22Å; Q277-N281 PolarHBondContact O-N 3.49Å; Q277-N281 PolarHBondContact O-ND2 3.24Å; Q277-N281 VanDerWaalsContact O-ND2 3.12Å; N281-S285 WeakPolarHBondContact O-CB 3.36Å; N281-S285 PolarHBondContact O-N 2.71Å
282	K	46.3	Very low	50.7	Low	152 Å²	152	87.2 Å²	87.2	66%	0.661	44%	0.435	S	S	*	.	H	α-helix	trans	-74.3	-38	178.4	-156.3	173.4	-174.7	179.6	0	112.6	L278 H279 Q280 S285 T286	L278-K282 WeakPolarHBondContact O-CB 3.42Å; L278-K282 PolarHBondContact O-N 3.1Å; H279-K282 WeakPolarHBondContact O-CA 3.49Å; H279-K282 VanDerWaalsContact O-CB 3.31Å; H279-K282 WeakPolarHBondContact O-CB 3.49Å; H279-K282 PolarHBondContact O-N 3.46Å; Q280-K282 VanDerWaalsContact C-N 3.25Å; Q280-K282 PolarHBondContact O-N 2.93Å; K282-S285 WeakPolarHBondContact O-CB 3.46Å; K282-S285 PolarHBondContact O-N 3Å; K282-T286 PolarHBondContact O-N 2.82Å; K282-T286 PolarHBondContact O-OG1 2.92Å
283	S	46	Very low	51.1	Low	53 Å²	53	90 Å²	90	37%	0.371	44%	0.442	S	S	.	.	H	α-helix	trans	-68.9	-38.1	171.3	52.9	0	0	0	0	112.5	H279 Q280 S285 T286 M287	H279-S283 PolarHBondContact O-N 3.37Å; H279-S283 VanDerWaalsContact O-N 3.08Å; Q280-S283 PolarHBondContact O-N 2.85Å; Q280-S283 PolarHBondContact O-OG 2.7Å; S283-S285 VanDerWaalsContact C-N 3.26Å; S283-S285 PolarHBondContact O-N 2.83Å; S283-T286 PolarHBondContact O-N 2.95Å; S283-T286 PolarHBondContact O-OG1 3.35Å; S283-M287 PolarHBondContact O-N 3.01Å
284	N	48.8	Very low	51.2	Low	59 Å²	59	87.6 Å²	87.6	32%	0.316	43%	0.432	S	S	.	.	H	α-helix	trans	-67.6	-29.6	177.5	-66.2	-6.5	0	0	0	111.9	Q280 K288	Q280-N284 WeakPolarHBondContact O-CB 3.3Å; Q280-N284 PolarHBondContact O-N 3.19Å; Q280-N284 VanDerWaalsContact O-N 3.07Å; Q280-N284 PolarHBondContact O-ND2 2.94Å; Q280-N284 PolarHBondContact O-OD1 2.97Å; N284-K288 VanDerWaalsContact O-CG 3.32Å; N284-K288 WeakPolarHBondContact O-CG 3.33Å; N284-K288 PolarHBondContact O-N 3.17Å
285	S	47.9	Very low	51.6	Low	75 Å²	75	82.9 Å²	82.9	52%	0.524	41%	0.414	S	S	.	.	H	α-helix	trans	-66.4	-45.6	171.1	174.2	0	0	0	0	112.5	N281 K282 S283 K288 S289	N281-S285 WeakPolarHBondContact O-CB 3.36Å; N281-S285 PolarHBondContact O-N 2.71Å; K282-S285 WeakPolarHBondContact O-CB 3.46Å; K282-S285 PolarHBondContact O-N 3Å; S283-S285 VanDerWaalsContact C-N 3.26Å; S283-S285 PolarHBondContact O-N 2.83Å; S285-K288 PolarHBondContact O-N 3.37Å; S285-S289 WeakPolarHBondContact O-CB 3.46Å; S285-S289 PolarHBondContact O-N 2.87Å
286	T	47.1	Very low	52.2	Low	58 Å²	58	81.6 Å²	81.6	36%	0.356	41%	0.41	S	S	.	.	H	α-helix	trans	-67.4	-42.5	-177.7	46.4	0	0	0	0	112.8	K282 S283 K288 S289 H290	K282-T286 PolarHBondContact O-N 2.82Å; K282-T286 PolarHBondContact O-OG1 2.92Å; S283-T286 PolarHBondContact O-N 2.95Å; S283-T286 PolarHBondContact O-OG1 3.35Å; T286-K288 PolarHBondContact O-N 3.34Å; T286-S289 WeakPolarHBondContact O-CB 3.15Å; T286-S289 PolarHBondContact O-N 3.49Å; T286-H290 PolarHBondContact O-CD2 3.4Å; T286-H290 VanDerWaalsContact O-CD2 3.32Å; T286-H290 PolarHBondContact O-N 3.34Å; T286-H290 VanDerWaalsContact O-N 3.13Å
287	M	48.7	Very low	52.7	Low	49 Å²	49	84.6 Å²	84.6	24%	0.241	42%	0.422	C	S	.	.	H	α-helix	trans	-65.2	-40.5	177.9	-61	-143.9	-65.5	0	0	112.3	S283 S289 H290 R291	S283-M287 PolarHBondContact O-N 3.01Å; M287-S289 VanDerWaalsContact C-N 3.31Å; M287-S289 PolarHBondContact O-N 3Å; M287-H290 PolarHBondContact O-N 3.19Å; M287-R291 WeakPolarHBondContact O-CB 3.32Å; M287-R291 PolarHBondContact O-N 2.96Å; M287-R291 VanDerWaalsContact O-N 3.09Å
288	K	54.3	Low	53.2	Low	149 Å²	149	81 Å²	81	65%	0.648	41%	0.405	S	S	*	.	H	α-helix	trans	-61.4	-36.4	172.7	-72.6	177.4	-179.3	-179.8	0	112.6	N284 S285 T286 T292	N284-K288 VanDerWaalsContact O-CG 3.32Å; N284-K288 WeakPolarHBondContact O-CG 3.33Å; N284-K288 PolarHBondContact O-N 3.17Å; S285-K288 PolarHBondContact O-N 3.37Å; T286-K288 PolarHBondContact O-N 3.34Å; K288-T292 WeakPolarHBondContact O-CB 3.38Å; K288-T292 PolarHBondContact O-N 3.43Å; K288-T292 PolarHBondContact O-OG1 2.94Å
289	S	52.5	Low	54	Low	48 Å²	48	82.6 Å²	82.6	34%	0.336	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-50.3	175.8	176.5	0	0	0	0	112.6	S285 T286 M287 T292 R293	S285-S289 WeakPolarHBondContact O-CB 3.46Å; S285-S289 PolarHBondContact O-N 2.87Å; T286-S289 WeakPolarHBondContact O-CB 3.15Å; T286-S289 PolarHBondContact O-N 3.49Å; M287-S289 VanDerWaalsContact C-N 3.31Å; M287-S289 PolarHBondContact O-N 3Å; S289-T292 PolarHBondContact O-N 3.34Å; S289-R293 PolarHBondContact O-N 3.12Å
290	H	51.4	Low	54.8	Low	101 Å²	101	82.5 Å²	82.5	47%	0.468	41%	0.41	S	S	.	.	H	α-helix	trans	-66.3	-40.2	-179.9	-77.7	-86.9	0	0	0	112.7	T286 M287 T292 R293 S294	T286-H290 PolarHBondContact O-CD2 3.4Å; T286-H290 VanDerWaalsContact O-CD2 3.32Å; T286-H290 PolarHBondContact O-N 3.34Å; T286-H290 VanDerWaalsContact O-N 3.13Å; M287-H290 PolarHBondContact O-N 3.19Å; H290-T292 VanDerWaalsContact C-N 3.34Å; H290-T292 PolarHBondContact O-N 2.94Å; H290-R293 PolarHBondContact O-N 3.31Å; H290-S294 PolarHBondContact O-N 2.97Å; H290-S294 VanDerWaalsContact O-N 3.09Å; H290-S294 PolarHBondContact O-OG 3.5Å
291	R	55.7	Low	55.5	Low	32 Å²	32	80.5 Å²	80.5	12%	0.121	40%	0.401	C	S	.	.	H	α-helix	trans	-60.1	-42.6	172.8	-175.1	173.5	176.7	155.6	7	112	M287 R293 S294 L295 T339 S342 D346	M287-R291 WeakPolarHBondContact O-CB 3.32Å; M287-R291 PolarHBondContact O-N 2.96Å; M287-R291 VanDerWaalsContact O-N 3.09Å; R291-R293 PolarHBondContact O-N 2.88Å; R291-S294 PolarHBondContact O-N 3.32Å; R291-L295 HydrophobicContact CG-CD1 4.12Å; R291-L295 WeakPolarHBondContact O-CG 3.5Å; R291-L295 PolarHBondContact O-N 3.3Å; R291-T339 PolarHBondContact NH2-O 3.23Å; R291-S342 VanDerWaalsContact NH1-C 3.35Å; R291-S342 PolarHBondContact NH1-OG 3.43Å; R291-D346 IonicContact NH1-OD2 3.92Å; R291-D346 PolarHBondContact NH1-OD2 2.92Å
292	T	59.6	Low	56.1	Low	82 Å²	82	77.5 Å²	77.5	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-42.3	176	-57.1	0	0	0	0	111.5	K288 S289 H290 S294 L295 T296	K288-T292 WeakPolarHBondContact O-CB 3.38Å; K288-T292 PolarHBondContact O-N 3.43Å; K288-T292 PolarHBondContact O-OG1 2.94Å; S289-T292 PolarHBondContact O-N 3.34Å; H290-T292 VanDerWaalsContact C-N 3.34Å; H290-T292 PolarHBondContact O-N 2.94Å; T292-S294 PolarHBondContact O-N 3.47Å; T292-L295 PolarHBondContact O-N 3.02Å; T292-T296 WeakPolarHBondContact O-CB 3.32Å; T292-T296 PolarHBondContact O-N 3.05Å; T292-T296 PolarHBondContact O-OG1 2.94Å
293	R	61.6	Low	56.9	Low	151 Å²	151	76.9 Å²	76.9	57%	0.57	38%	0.381	S	S	*	.	H	α-helix	trans	-61	-43.8	176.1	-73.2	173.1	173.4	177.4	-5.3	112.6	S289 H290 R291 T296 R297	S289-R293 PolarHBondContact O-N 3.12Å; H290-R293 PolarHBondContact O-N 3.31Å; R291-R293 PolarHBondContact O-N 2.88Å; R293-T296 PolarHBondContact O-N 3.01Å; R293-R297 PolarHBondContact O-N 3.41Å
294	S	57.7	Low	57.4	Low	14 Å²	14	78.7 Å²	78.7	10%	0.098	39%	0.387	C	S	.	.	H	α-helix	trans	-66.9	-41.8	179.6	-55.1	0	0	0	0	112.3	H290 R291 T292 T296 R297 M298	H290-S294 PolarHBondContact O-N 2.97Å; H290-S294 VanDerWaalsContact O-N 3.09Å; H290-S294 PolarHBondContact O-OG 3.5Å; R291-S294 PolarHBondContact O-N 3.32Å; T292-S294 PolarHBondContact O-N 3.47Å; S294-T296 VanDerWaalsContact C-N 3.34Å; S294-T296 PolarHBondContact O-N 2.89Å; S294-R297 PolarHBondContact O-N 3.26Å; S294-M298 PolarHBondContact O-N 3.12Å; S294-M298 VanDerWaalsContact O-N 3.17Å
295	L	60.8	Low	57.6	Low	53 Å²	53	78 Å²	78	28%	0.277	39%	0.386	S	S	.	.	H	α-helix	trans	-65.2	-34.8	173.1	-70.4	168.4	0	0	0	112.6	R291 T292 M298 K299	R291-L295 HydrophobicContact CG-CD1 4.12Å; R291-L295 WeakPolarHBondContact O-CG 3.5Å; R291-L295 PolarHBondContact O-N 3.3Å; T292-L295 PolarHBondContact O-N 3.02Å; L295-M298 HydrophobicContact CD2-CE 3.83Å; L295-K299 WeakPolarHBondContact O-CG 3.36Å; L295-K299 PolarHBondContact O-N 3.34Å
296	T	66.8	Low	57.8	Low	68 Å²	68	78.4 Å²	78.4	42%	0.417	38%	0.383	S	S	.	.	H	α-helix	trans	-69.4	-42.1	175.6	-63.1	0	0	0	0	112	T292 R293 S294 M298 K299 N300	T292-T296 WeakPolarHBondContact O-CB 3.32Å; T292-T296 PolarHBondContact O-N 3.05Å; T292-T296 PolarHBondContact O-OG1 2.94Å; R293-T296 PolarHBondContact O-N 3.01Å; S294-T296 VanDerWaalsContact C-N 3.34Å; S294-T296 PolarHBondContact O-N 2.89Å; T296-M298 VanDerWaalsContact C-N 3.32Å; T296-M298 PolarHBondContact O-N 2.75Å; T296-K299 PolarHBondContact O-N 3.31Å; T296-N300 PolarHBondContact O-N 3.2Å
297	R	63.1	Low	57.8	Low	153 Å²	153	79.4 Å²	79.4	58%	0.577	39%	0.389	S	S	*	.	H	α-helix	trans	-56.5	-47.1	173.2	-75.5	177.6	177.1	163.9	-3.4	111.4	R293 S294 N300 M301	R293-R297 PolarHBondContact O-N 3.41Å; S294-R297 PolarHBondContact O-N 3.26Å; R297-N300 WeakPolarHBondContact O-CB 3.39Å; R297-N300 PolarHBondContact O-N 3.2Å; R297-M301 WeakPolarHBondContact O-CG 3.28Å; R297-M301 PolarHBondContact O-N 2.73Å
298	M	61	Low	57.8	Low	21 Å²	21	82.8 Å²	82.8	10%	0.103	40%	0.402	C	S	.	.	H	α-helix	trans	-62.5	-42.3	176.6	-175.1	-160	-42.7	0	0	113.2	S294 L295 T296 N300 M301 I302 F335	S294-M298 PolarHBondContact O-N 3.12Å; S294-M298 VanDerWaalsContact O-N 3.17Å; L295-M298 HydrophobicContact CD2-CE 3.83Å; T296-M298 VanDerWaalsContact C-N 3.32Å; T296-M298 PolarHBondContact O-N 2.75Å; M298-N300 VanDerWaalsContact C-N 3.25Å; M298-N300 PolarHBondContact O-N 2.8Å; M298-M301 PolarHBondContact O-N 2.86Å; M298-I302 HydrophobicContact CG-CD1 3.92Å; M298-I302 WeakPolarHBondContact O-CG1 3.47Å; M298-I302 PolarHBondContact O-N 3.03Å; M298-I302 HydrophobicContact SD-CD1 4.47Å; M298-F335 HydrophobicContact CE-CB 3.46Å; M298-F335 VanDerWaalsContact CE-CB 3.46Å; M298-F335 HydrophobicContact CE-CD1 3.28Å; M298-F335 HydrophobicContact CE-CD2 3.6Å; M298-F335 HydrophobicContact CE-CE1 3.85Å; M298-F335 HydrophobicContact CE-CE2 4.13Å; M298-F335 HydrophobicContact CE-CG 3.15Å; M298-F335 HydrophobicContact CE-CZ 4.25Å; M298-F335 HydrophobicContact CG-CD2 4.05Å; M298-F335 HydrophobicContact CG-CE2 4.37Å; M298-F335 HydrophobicContact SD-CB 3.59Å; M298-F335 VanDerWaalsContact SD-CB 3.59Å; M298-F335 HydrophobicContact SD-CD1 4.41Å; M298-F335 HydrophobicContact SD-CD2 3.75Å; M298-F335 HydrophobicContact SD-CG 3.68Å
299	K	61.9	Low	57.3	Low	156 Å²	156	81.6 Å²	81.6	68%	0.678	40%	0.398	S	S	*	.	H	α-helix	trans	-59.5	-37.4	174.3	-82.3	-176.2	175.7	-177.5	0	112.2	L295 T296 K303	L295-K299 WeakPolarHBondContact O-CG 3.36Å; L295-K299 PolarHBondContact O-N 3.34Å; T296-K299 PolarHBondContact O-N 3.31Å; K299-K303 WeakPolarHBondContact O-CB 3.4Å; K299-K303 PolarHBondContact O-N 3.33Å
300	N	64.4	Low	56.9	Low	88 Å²	88	88 Å²	88	47%	0.471	42%	0.421	S	S	.	.	H	α-helix	trans	-68.8	-50.8	175.1	-65.6	-6.8	0	0	0	110.6	T296 R297 M298 I302 K303 D304	T296-N300 PolarHBondContact O-N 3.2Å; R297-N300 WeakPolarHBondContact O-CB 3.39Å; R297-N300 PolarHBondContact O-N 3.2Å; M298-N300 VanDerWaalsContact C-N 3.25Å; M298-N300 PolarHBondContact O-N 2.8Å; N300-I302 VanDerWaalsContact C-N 3.35Å; N300-I302 PolarHBondContact O-N 2.63Å; N300-K303 CarbonylContact O-C 3.57Å; N300-K303 WeakPolarHBondContact O-CA 3.42Å; N300-K303 VanDerWaalsContact O-CB 3.26Å; N300-K303 WeakPolarHBondContact O-CB 3.35Å; N300-K303 PolarHBondContact O-N 2.98Å; N300-D304 PolarHBondContact O-N 3.31Å
301	M	61.8	Low	56.6	Low	24 Å²	24	89.8 Å²	89.8	12%	0.118	43%	0.433	C	S	.	.	H	α-helix	trans	-55.9	-44.2	178.2	-67.2	166.7	70.5	0	0	113.2	L199 V202 I206 R297 M298 K303 D304 C305	L199-M301 HydrophobicContact CD2-SD 3.89Å; V202-M301 HydrophobicContact CB-CE 3.79Å; V202-M301 HydrophobicContact CG1-CE 3.37Å; I206-M301 HydrophobicContact CD1-CE 4.21Å; R297-M301 WeakPolarHBondContact O-CG 3.28Å; R297-M301 PolarHBondContact O-N 2.73Å; M298-M301 PolarHBondContact O-N 2.86Å; M301-K303 VanDerWaalsContact C-N 3.3Å; M301-K303 PolarHBondContact O-N 2.94Å; M301-D304 PolarHBondContact O-N 2.78Å; M301-C305 PolarHBondContact O-N 2.82Å; M301-C305 PolarHBondContact O-SG 2.99Å
302	I	61.4	Low	55.9	Low	42 Å²	42	92.4 Å²	92.4	22%	0.215	46%	0.457	C	S	.	.	H	α-helix	trans	-64.3	-36.4	176.1	-67.7	169.7	0	0	0	111.2	M298 N300 N306	M298-I302 HydrophobicContact CG-CD1 3.92Å; M298-I302 WeakPolarHBondContact O-CG1 3.47Å; M298-I302 PolarHBondContact O-N 3.03Å; M298-I302 HydrophobicContact SD-CD1 4.47Å; N300-I302 VanDerWaalsContact C-N 3.35Å; N300-I302 PolarHBondContact O-N 2.63Å; I302-N306 PolarHBondContact O-N 2.83Å; I302-N306 VanDerWaalsContact O-N 3.15Å; I302-N306 PolarHBondContact O-OD1 2.82Å
303	K	61.5	Low	54.7	Low	138 Å²	138	96.7 Å²	96.7	60%	0.6	48%	0.476	S	S	*	.	H	α-helix	trans	-66.6	-40.1	175.2	-169.9	-173.2	178.9	-167.9	0	111.2	K299 N300 M301 N306 V307	K299-K303 WeakPolarHBondContact O-CB 3.4Å; K299-K303 PolarHBondContact O-N 3.33Å; N300-K303 CarbonylContact O-C 3.57Å; N300-K303 WeakPolarHBondContact O-CA 3.42Å; N300-K303 VanDerWaalsContact O-CB 3.26Å; N300-K303 WeakPolarHBondContact O-CB 3.35Å; N300-K303 PolarHBondContact O-N 2.98Å; M301-K303 VanDerWaalsContact C-N 3.3Å; M301-K303 PolarHBondContact O-N 2.94Å; K303-N306 PolarHBondContact O-N 2.85Å; K303-V307 WeakPolarHBondContact O-CG2 3.5Å; K303-V307 PolarHBondContact O-N 3.13Å
304	D	57.7	Low	53.4	Low	92 Å²	92	94.7 Å²	94.7	49%	0.492	49%	0.485	S	S	.	.	H	α-helix	trans	-69.3	-38.2	-179.8	-58.9	-29.9	0	0	0	111.4	N300 M301 V307 K308	N300-D304 PolarHBondContact O-N 3.31Å; M301-D304 PolarHBondContact O-N 2.78Å; D304-V307 PolarHBondContact O-N 2.87Å; D304-K308 PolarHBondContact O-N 3.27Å
305	C	53.4	Low	52.3	Low	44 Å²	44	102.2 Å²	102.2	30%	0.297	53%	0.525	S	S	.	.	H	α-helix	trans	-57.9	-50.3	168.8	-67	0	0	0	0	111.9	M301 V307 K308 E309	M301-C305 PolarHBondContact O-N 2.82Å; M301-C305 PolarHBondContact O-SG 2.99Å; C305-V307 PolarHBondContact O-N 2.81Å; C305-K308 PolarHBondContact O-N 3.49Å; C305-K308 VanDerWaalsContact O-N 3.16Å; C305-E309 PolarHBondContact O-N 2.88Å
306	N	51.5	Low	50.9	Low	84 Å²	84	107.9 Å²	107.9	45%	0.449	55%	0.552	S	S	.	*	H	α-helix	trans	-66.5	-18.6	-180	-71.1	6.4	0	0	0	113.9	I302 K303	I302-N306 PolarHBondContact O-N 2.83Å; I302-N306 VanDerWaalsContact O-N 3.15Å; I302-N306 PolarHBondContact O-OD1 2.82Å; K303-N306 PolarHBondContact O-N 2.85Å
307	V	47.8	Very low	49.5	Very low	79 Å²	79	109.5 Å²	109.5	48%	0.479	56%	0.557	S	S	.	*	H	α-helix	trans	-79.2	-35.6	174.4	167.4	0	0	0	0	111.1	K303 D304 C305 E309 K310	K303-V307 WeakPolarHBondContact O-CG2 3.5Å; K303-V307 PolarHBondContact O-N 3.13Å; D304-V307 PolarHBondContact O-N 2.87Å; C305-V307 PolarHBondContact O-N 2.81Å; V307-E309 VanDerWaalsContact C-N 3.34Å; V307-E309 PolarHBondContact O-N 2.82Å; V307-K310 PolarHBondContact O-N 2.82Å
308	K	47.4	Very low	48.5	Very low	119 Å²	119	108.9 Å²	108.9	52%	0.517	56%	0.564	S	S	.	*	H	α-helix	trans	-67	-32.4	177.5	-67.7	-170.1	177.3	-168	0	112.4	D210 D304 C305 K310 S312	D210-K308 IonicContact OD2-NZ 2.73Å; D304-K308 PolarHBondContact O-N 3.27Å; C305-K308 PolarHBondContact O-N 3.49Å; C305-K308 VanDerWaalsContact O-N 3.16Å; K308-K310 VanDerWaalsContact C-N 3.33Å; K308-K310 PolarHBondContact O-N 2.8Å; K308-S312 PolarHBondContact O-OG 3.29Å
309	E	45.5	Very low	47.4	Very low	124 Å²	124	115.8 Å²	115.8	58%	0.579	60%	0.596	S	S	*	*	H	α-helix	trans	-60.5	-35.5	173.7	-74.9	-175.7	147.7	0	0	113.8	C305 V307 N311	C305-E309 PolarHBondContact O-N 2.88Å; V307-E309 VanDerWaalsContact C-N 3.34Å; V307-E309 PolarHBondContact O-N 2.82Å; E309-N311 PolarHBondContact O-N 2.86Å
310	K	43.5	Very low	46.3	Very low	184 Å²	184	113.2 Å²	113.2	80%	0.8	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-10.5	-171.9	-75.7	-170	174.6	-175.3	0	115.5	V307 K308	V307-K310 PolarHBondContact O-N 2.82Å; K308-K310 VanDerWaalsContact C-N 3.33Å; K308-K310 PolarHBondContact O-N 2.8Å
311	N	44.2	Very low	45	Very low	137 Å²	137	114.4 Å²	114.4	73%	0.733	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-1.1	-175.8	-75.2	-10.1	0	0	0	114.1	E309 N313	E309-N311 PolarHBondContact O-N 2.86Å; N311-N313 PolarHBondContact O-N 2.9Å
312	S	41.6	Very low	43.9	Very low	88 Å²	88	117.7 Å²	117.7	62%	0.615	61%	0.609	S	S	*	*			trans	-94.3	75.2	-175.5	-64.4	0	0	0	0	113.1	K308 S314	K308-S312 PolarHBondContact O-OG 3.29Å; S312-S314 PolarHBondContact O-N 2.84Å
313	N	33.5	Very low	43	Very low	171 Å²	171	120 Å²	120	91%	0.914	62%	0.621	S	S	*	*			trans	-84.9	80.6	166.4	-97.7	-11.6	0	0	0	111	N311	N311-N313 PolarHBondContact O-N 2.9Å
314	S	35.3	Very low	42.6	Very low	109 Å²	109	119.3 Å²	119.3	76%	0.762	62%	0.62	S	S	*	*	S	Bend	trans	-166.2	136.6	160	39.7	0	0	0	0	114.1	S312 M316	S312-S314 PolarHBondContact O-N 2.84Å; S314-M316 PolarHBondContact O-N 2.98Å
315	N	33.9	Very low	42.3	Very low	172 Å²	172	119.6 Å²	119.6	92%	0.92	62%	0.621	S	S	*	*	S	Bend	trans	-76.4	97.2	-177	-70	-41.8	0	0	0	112.9
316	M	31.9	Very low	42.5	Very low	173 Å²	173	122 Å²	122	85%	0.852	63%	0.631	S	S	*	*			trans	173.6	118.6	143.5	-105.5	-175.7	64.2	0	0	108.4	S314	S314-M316 PolarHBondContact O-N 2.98Å
317	I	37.1	Very low	43	Very low	102 Å²	102	123.6 Å²	123.6	52%	0.523	64%	0.635	S	S	.	*			trans	155.4	86.6	154.8	-80.8	150.6	0	0	0	107.1	N320 E321	I317-N320 HydrophobicContact CG2-CB 3.65Å; I317-E321 HydrophobicContact CG2-CG 4.32Å
318	I	41.6	Very low	43.8	Very low	140 Å²	140	121.4 Å²	121.4	72%	0.718	62%	0.622	S	S	*	*	S	Bend	trans	-99.1	-2.6	177.5	-67.4	175.7	0	0	0	111.9	I322	I318-I322 WeakPolarHBondContact O-CD1 3.37Å
319	Q	38.3	Very low	44.6	Very low	166 Å²	166	120 Å²	120	78%	0.776	62%	0.618	S	S	*	*	S	Bend	trans	-107.2	-32.1	-179.7	-73.3	-176	-21.4	0	0	115.1	I323	Q319-I323 WeakPolarHBondContact O-CG1 3.23Å
320	N	38.2	Very low	45.7	Very low	102 Å²	102	117 Å²	117	55%	0.545	61%	0.614	S	S	.	*	H	α-helix	trans	-81	-29.7	175	-76.8	-3.1	0	0	0	113.2	I317 I322 I323 Q324	I317-N320 HydrophobicContact CG2-CB 3.65Å; N320-I322 VanDerWaalsContact C-N 3.32Å; N320-I322 PolarHBondContact O-N 2.88Å; N320-I323 PolarHBondContact O-N 2.98Å; N320-I323 VanDerWaalsContact O-N 3.17Å; N320-Q324 PolarHBondContact O-N 3.27Å; N320-Q324 VanDerWaalsContact O-N 3.07Å
321	E	37.6	Very low	46.9	Very low	112 Å²	112	109.4 Å²	109.4	52%	0.523	58%	0.581	S	S	.	*	H	α-helix	trans	-59.4	-42.5	176.7	-75.2	179.6	164.8	0	0	111.5	I317 I323 Q324 L325	I317-E321 HydrophobicContact CG2-CG 4.32Å; E321-I323 VanDerWaalsContact C-N 3.31Å; E321-I323 PolarHBondContact O-N 2.82Å; E321-Q324 PolarHBondContact O-N 3.15Å; E321-L325 WeakPolarHBondContact O-CB 3.46Å; E321-L325 PolarHBondContact O-N 3.02Å
322	I	40.2	Very low	47.9	Very low	94 Å²	94	108.3 Å²	108.3	48%	0.482	57%	0.567	S	S	.	*	H	α-helix	trans	-64.6	-35	177.9	-59.6	176	0	0	0	111.5	I318 N320 N326	I318-I322 WeakPolarHBondContact O-CD1 3.37Å; N320-I322 VanDerWaalsContact C-N 3.32Å; N320-I322 PolarHBondContact O-N 2.88Å; I322-N326 WeakPolarHBondContact O-CB 3.29Å; I322-N326 PolarHBondContact O-N 3.45Å; I322-N326 PolarHBondContact O-ND2 2.95Å
323	I	42.1	Very low	49.5	Very low	90 Å²	90	108.2 Å²	108.2	46%	0.462	56%	0.56	S	S	.	*	H	α-helix	trans	-69.4	-43.2	178	-63.6	171.1	0	0	0	110.4	Q319 N320 E321 N326 Q327	Q319-I323 WeakPolarHBondContact O-CG1 3.23Å; N320-I323 PolarHBondContact O-N 2.98Å; N320-I323 VanDerWaalsContact O-N 3.17Å; E321-I323 VanDerWaalsContact C-N 3.31Å; E321-I323 PolarHBondContact O-N 2.82Å; I323-N326 PolarHBondContact O-N 3.13Å; I323-Q327 WeakPolarHBondContact O-CG 3.23Å; I323-Q327 PolarHBondContact O-N 3.45Å
324	Q	52.9	Low	51.5	Low	123 Å²	123	102.5 Å²	102.5	58%	0.575	53%	0.527	S	S	*	.	H	α-helix	trans	-68.2	-40.6	176.1	-69.6	-170.9	-5.3	0	0	112.3	N320 E321 N326 Q327 V328	N320-Q324 PolarHBondContact O-N 3.27Å; N320-Q324 VanDerWaalsContact O-N 3.07Å; E321-Q324 PolarHBondContact O-N 3.15Å; Q324-N326 PolarHBondContact O-N 2.9Å; Q324-Q327 PolarHBondContact O-N 3.45Å; Q324-V328 WeakPolarHBondContact O-CG2 3.24Å; Q324-V328 PolarHBondContact O-N 2.82Å
325	L	50.6	Low	53.1	Low	99 Å²	99	97.5 Å²	97.5	52%	0.518	49%	0.491	S	S	.	.	H	α-helix	trans	-60.7	-44.8	174.5	-107.2	130.8	0	0	0	112	E321 Q327 V328 E329	E321-L325 WeakPolarHBondContact O-CB 3.46Å; E321-L325 PolarHBondContact O-N 3.02Å; L325-Q327 VanDerWaalsContact C-N 3.32Å; L325-Q327 PolarHBondContact O-N 2.83Å; L325-V328 PolarHBondContact O-N 2.9Å; L325-E329 WeakPolarHBondContact O-CB 3.46Å; L325-E329 PolarHBondContact O-N 2.94Å
326	N	58.7	Low	55	Low	95 Å²	95	93.1 Å²	93.1	51%	0.508	47%	0.471	S	S	.	.	H	α-helix	trans	-62.7	-36.8	175.9	-75.8	-21.8	0	0	0	112.4	I322 I323 Q324 A330	I322-N326 WeakPolarHBondContact O-CB 3.29Å; I322-N326 PolarHBondContact O-N 3.45Å; I322-N326 PolarHBondContact O-ND2 2.95Å; I323-N326 PolarHBondContact O-N 3.13Å; Q324-N326 PolarHBondContact O-N 2.9Å; N326-A330 VanDerWaalsContact O-CB 3.22Å; N326-A330 WeakPolarHBondContact O-CB 3.21Å; N326-A330 PolarHBondContact O-N 3.2Å
327	Q	61	Low	57.1	Low	116 Å²	116	89.9 Å²	89.9	54%	0.542	46%	0.457	S	S	.	.	H	α-helix	trans	-68.1	-43.2	174.7	-74.3	171.4	-17.8	0	0	112	I323 Q324 L325 E329 A330 M331	I323-Q327 WeakPolarHBondContact O-CG 3.23Å; I323-Q327 PolarHBondContact O-N 3.45Å; Q324-Q327 PolarHBondContact O-N 3.45Å; L325-Q327 VanDerWaalsContact C-N 3.32Å; L325-Q327 PolarHBondContact O-N 2.83Å; Q327-E329 VanDerWaalsContact C-N 3.34Å; Q327-E329 PolarHBondContact O-N 2.8Å; Q327-A330 PolarHBondContact O-N 3.07Å; Q327-M331 VanDerWaalsContact O-CB 3.28Å; Q327-M331 WeakPolarHBondContact O-CB 3.44Å; Q327-M331 PolarHBondContact O-N 2.81Å
328	V	64.6	Low	59	Low	34 Å²	34	85.4 Å²	85.4	21%	0.206	43%	0.433	C	S	.	.	H	α-helix	trans	-64.3	-38.6	175.5	171.2	0	0	0	0	111.3	Q324 L325 R332	Q324-V328 WeakPolarHBondContact O-CG2 3.24Å; Q324-V328 PolarHBondContact O-N 2.82Å; L325-V328 PolarHBondContact O-N 2.9Å; V328-R332 WeakPolarHBondContact O-CB 3.4Å; V328-R332 PolarHBondContact O-N 2.91Å
329	E	65.4	Low	60.5	Low	90 Å²	90	80.3 Å²	80.3	42%	0.421	41%	0.409	S	S	.	.	H	α-helix	trans	-71.3	-41.9	175.9	-175.5	157	-134	0	0	112.4	L325 Q327 M331 R332 N333	L325-E329 WeakPolarHBondContact O-CB 3.46Å; L325-E329 PolarHBondContact O-N 2.94Å; Q327-E329 VanDerWaalsContact C-N 3.34Å; Q327-E329 PolarHBondContact O-N 2.8Å; E329-M331 VanDerWaalsContact C-N 3.31Å; E329-M331 PolarHBondContact O-N 3.4Å; E329-R332 WeakPolarHBondContact O-CB 3.39Å; E329-R332 PolarHBondContact O-N 3.21Å; E329-N333 WeakPolarHBondContact O-CB 3.36Å; E329-N333 VanDerWaalsContact O-CG 3.23Å; E329-N333 PolarHBondContact O-N 3.17Å; E329-N333 PolarHBondContact O-ND2 2.97Å
330	A	68	Low	62.4	Low	60 Å²	60	76.5 Å²	76.5	50%	0.496	40%	0.396	S	S	.	.	H	α-helix	trans	-59.9	-41.7	171.9	0	0	0	0	0	111.8	N326 Q327 N333 F334	N326-A330 VanDerWaalsContact O-CB 3.22Å; N326-A330 WeakPolarHBondContact O-CB 3.21Å; N326-A330 PolarHBondContact O-N 3.2Å; Q327-A330 PolarHBondContact O-N 3.07Å; A330-N333 PolarHBondContact O-N 2.93Å; A330-F334 WeakPolarHBondContact O-CB 3.21Å; A330-F334 PolarHBondContact O-N 3.28Å
331	M	67.6	Low	64.5	Low	24 Å²	24	76.7 Å²	76.7	12%	0.118	39%	0.394	C	S	.	.	H	α-helix	trans	-64.6	-43.3	174.6	-178.1	171.8	62.3	0	0	111.7	V202 Q327 E329 N333 F334 F335	V202-M331 HydrophobicContact CG1-SD 4.26Å; V202-M331 HydrophobicContact CG2-SD 4.26Å; Q327-M331 VanDerWaalsContact O-CB 3.28Å; Q327-M331 WeakPolarHBondContact O-CB 3.44Å; Q327-M331 PolarHBondContact O-N 2.81Å; E329-M331 VanDerWaalsContact C-N 3.31Å; E329-M331 PolarHBondContact O-N 3.4Å; M331-N333 PolarHBondContact O-N 3.23Å; M331-F334 PolarHBondContact O-N 2.67Å; M331-F335 HydrophobicContact CG-CD2 3.62Å; M331-F335 HydrophobicContact CG-CE2 3.51Å; M331-F335 WeakPolarHBondContact O-CD2 3.22Å; M331-F335 PolarHBondContact O-N 3Å; M331-F335 HydrophobicContact SD-CE2 4.04Å
332	R	66.2	Low	66.3	Low	114 Å²	114	71.5 Å²	71.5	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-59.4	-45.1	174	-174.2	-171.3	-64.1	149	-0	111.4	V328 E329 F335 T336	V328-R332 WeakPolarHBondContact O-CB 3.4Å; V328-R332 PolarHBondContact O-N 2.91Å; E329-R332 WeakPolarHBondContact O-CB 3.39Å; E329-R332 PolarHBondContact O-N 3.21Å; R332-F335 PolarHBondContact O-N 3.29Å; R332-T336 PolarHBondContact O-N 3.17Å; R332-T336 PolarHBondContact O-OG1 3.39Å; R332-T336 VanDerWaalsContact O-OG1 3.1Å
333	N	74.4	Confident	68.1	Low	86 Å²	86	72.1 Å²	72.1	46%	0.46	37%	0.371	S	S	.	.	H	α-helix	trans	-65.8	-44.6	178.4	-70.7	-22.2	0	0	0	111.7	E329 A330 M331 F335 T336 L337	E329-N333 WeakPolarHBondContact O-CB 3.36Å; E329-N333 VanDerWaalsContact O-CG 3.23Å; E329-N333 PolarHBondContact O-N 3.17Å; E329-N333 PolarHBondContact O-ND2 2.97Å; A330-N333 PolarHBondContact O-N 2.93Å; M331-N333 PolarHBondContact O-N 3.23Å; N333-F335 VanDerWaalsContact C-N 3.33Å; N333-F335 PolarHBondContact O-N 2.98Å; N333-T336 PolarHBondContact O-N 3.3Å; N333-L337 WeakPolarHBondContact O-CG 3.45Å; N333-L337 PolarHBondContact O-N 3.5Å
334	F	75.4	Confident	70	Confident	51 Å²	51	72.6 Å²	72.6	22%	0.224	37%	0.371	C	S	.	.	H	α-helix	trans	-56.5	-46.7	172.7	172	-96	0	0	0	111.5	F194 L198 A330 M331 L337 Y338	F194-F334 HydrophobicContact CD1-CE1 4.4Å; F194-F334 AromaticContact CD1-CE2 3.84Å; F194-F334 HydrophobicContact CD1-CE2 3.84Å; F194-F334 AromaticContact CD1-CZ 3.51Å; F194-F334 HydrophobicContact CD1-CZ 3.51Å; F194-F334 HydrophobicContact CE1-CD2 4.31Å; F194-F334 HydrophobicContact CE1-CE1 4.36Å; F194-F334 AromaticContact CE1-CE2 3.52Å; F194-F334 HydrophobicContact CE1-CE2 3.52Å; F194-F334 AromaticContact CE1-CZ 3.57Å; F194-F334 HydrophobicContact CE1-CZ 3.57Å; L198-F334 HydrophobicContact CD2-CD1 3.39Å; L198-F334 HydrophobicContact CD2-CE1 3.61Å; L198-F334 HydrophobicContact CD2-CG 4.09Å; L198-F334 HydrophobicContact CD2-CZ 4.44Å; A330-F334 WeakPolarHBondContact O-CB 3.21Å; A330-F334 PolarHBondContact O-N 3.28Å; M331-F334 PolarHBondContact O-N 2.67Å; F334-L337 WeakPolarHBondContact O-CB 3.23Å; F334-L337 PolarHBondContact O-N 2.99Å; F334-Y338 HydrophobicContact CZ-CD2 4.35Å; F334-Y338 WeakPolarHBondContact O-CB 3.33Å; F334-Y338 PolarHBondContact O-N 3.11Å
335	F	69.3	Low	71.4	Confident	5 Å²	5	68 Å²	68	2%	0.022	35%	0.35	C	S	.	.	H	α-helix	trans	-72.8	-28.5	-178	-79.9	-58.2	0	0	0	114.3	L198 L199 M298 M331 R332 N333 Y338 T339	L198-F335 HydrophobicContact CD2-CE2 4.41Å; L198-F335 HydrophobicContact CD2-CZ 4.21Å; L199-F335 HydrophobicContact CD2-CE2 4.19Å; L199-F335 HydrophobicContact CD2-CZ 3.69Å; L199-F335 HydrophobicContact CG-CE1 4.49Å; L199-F335 HydrophobicContact CG-CZ 3.86Å; M298-F335 HydrophobicContact CE-CB 3.46Å; M298-F335 VanDerWaalsContact CE-CB 3.46Å; M298-F335 HydrophobicContact CE-CD1 3.28Å; M298-F335 HydrophobicContact CE-CD2 3.6Å; M298-F335 HydrophobicContact CE-CE1 3.85Å; M298-F335 HydrophobicContact CE-CE2 4.13Å; M298-F335 HydrophobicContact CE-CG 3.15Å; M298-F335 HydrophobicContact CE-CZ 4.25Å; M298-F335 HydrophobicContact CG-CD2 4.05Å; M298-F335 HydrophobicContact CG-CE2 4.37Å; M298-F335 HydrophobicContact SD-CB 3.59Å; M298-F335 VanDerWaalsContact SD-CB 3.59Å; M298-F335 HydrophobicContact SD-CD1 4.41Å; M298-F335 HydrophobicContact SD-CD2 3.75Å; M298-F335 HydrophobicContact SD-CG 3.68Å; M331-F335 HydrophobicContact CG-CD2 3.62Å; M331-F335 HydrophobicContact CG-CE2 3.51Å; M331-F335 WeakPolarHBondContact O-CD2 3.22Å; M331-F335 PolarHBondContact O-N 3Å; M331-F335 HydrophobicContact SD-CE2 4.04Å; R332-F335 PolarHBondContact O-N 3.29Å; N333-F335 VanDerWaalsContact C-N 3.33Å; N333-F335 PolarHBondContact O-N 2.98Å; F335-Y338 HydrophobicContact CD1-CD1 4.46Å; F335-Y338 HydrophobicContact CD1-CG 4.49Å; F335-T339 VanDerWaalsContact O-CB 3.3Å; F335-T339 WeakPolarHBondContact O-CB 3.27Å; F335-T339 PolarHBondContact O-N 2.87Å; F335-T339 PolarHBondContact O-OG1 3.43Å
336	T	74.3	Confident	72.6	Confident	80 Å²	80	65 Å²	65	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-49	166.2	-62.9	0	0	0	0	110.4	R332 N333 T339 V340	R332-T336 PolarHBondContact O-N 3.17Å; R332-T336 PolarHBondContact O-OG1 3.39Å; R332-T336 VanDerWaalsContact O-OG1 3.1Å; N333-T336 PolarHBondContact O-N 3.3Å; T336-T339 WeakPolarHBondContact O-CB 3.44Å; T336-T339 PolarHBondContact O-N 3.42Å; T336-V340 WeakPolarHBondContact O-CG2 3.44Å; T336-V340 PolarHBondContact O-N 3.39Å
337	L	76.3	Confident	73.7	Confident	105 Å²	105	65.6 Å²	65.6	55%	0.55	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-44.6	177.3	-70.2	170.1	0	0	0	112.4	N333 F334 T339 V340 Q341	N333-L337 WeakPolarHBondContact O-CG 3.45Å; N333-L337 PolarHBondContact O-N 3.5Å; F334-L337 WeakPolarHBondContact O-CB 3.23Å; F334-L337 PolarHBondContact O-N 2.99Å; L337-T339 VanDerWaalsContact C-N 3.3Å; L337-T339 PolarHBondContact O-N 3.49Å; L337-V340 PolarHBondContact O-N 3.07Å; L337-Q341 WeakPolarHBondContact O-CB 3.43Å; L337-Q341 WeakPolarHBondContact O-CG 3.46Å; L337-Q341 PolarHBondContact O-N 3.5Å
338	Y	76.2	Confident	74.9	Confident	8 Å²	8	61.9 Å²	61.9	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-56.3	-44.5	173	171.6	-87.4	0	0	0	111.5	L191 S195 F334 F335 Q341 S342	L191-Y338 HydrophobicContact CD1-CD2 3.89Å; L191-Y338 HydrophobicContact CD1-CE2 4.37Å; L191-Y338 HydrophobicContact CD2-CD2 4.18Å; L191-Y338 HydrophobicContact CD2-CE2 4.25Å; L191-Y338 HydrophobicContact CG-CD2 3.66Å; L191-Y338 HydrophobicContact CG-CE2 3.68Å; S195-Y338 VanDerWaalsContact CB-CE2 3.4Å; S195-Y338 VanDerWaalsContact OG-CE2 3.23Å; S195-Y338 WeakPolarHBondContact OG-CE2 3.37Å; S195-Y338 PolarHBondContact OG-OH 2.92Å; F334-Y338 HydrophobicContact CZ-CD2 4.35Å; F334-Y338 WeakPolarHBondContact O-CB 3.33Å; F334-Y338 PolarHBondContact O-N 3.11Å; F335-Y338 HydrophobicContact CD1-CD1 4.46Å; F335-Y338 HydrophobicContact CD1-CG 4.49Å; Y338-Q341 PolarHBondContact O-N 2.79Å; Y338-S342 WeakPolarHBondContact O-CB 3.28Å; Y338-S342 PolarHBondContact O-N 2.91Å
339	T	73.2	Confident	75.6	Confident	33 Å²	33	60.8 Å²	60.8	20%	0.202	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-46.7	179.8	-61.8	0	0	0	0	110.5	R291 F335 T336 L337 Q343	R291-T339 PolarHBondContact NH2-O 3.23Å; F335-T339 VanDerWaalsContact O-CB 3.3Å; F335-T339 WeakPolarHBondContact O-CB 3.27Å; F335-T339 PolarHBondContact O-N 2.87Å; F335-T339 PolarHBondContact O-OG1 3.43Å; T336-T339 WeakPolarHBondContact O-CB 3.44Å; T336-T339 PolarHBondContact O-N 3.42Å; L337-T339 VanDerWaalsContact C-N 3.3Å; L337-T339 PolarHBondContact O-N 3.49Å; T339-Q343 WeakPolarHBondContact O-CB 3.38Å; T339-Q343 PolarHBondContact O-N 3.29Å; T339-Q343 PolarHBondContact O-OE1 2.93Å
340	V	79.3	Confident	76.3	Confident	85 Å²	85	60 Å²	60	52%	0.515	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-48.7	177.4	174.2	0	0	0	0	111.4	T336 L337 S342 Q343 Q344	T336-V340 WeakPolarHBondContact O-CG2 3.44Å; T336-V340 PolarHBondContact O-N 3.39Å; L337-V340 PolarHBondContact O-N 3.07Å; V340-S342 PolarHBondContact O-N 2.86Å; V340-Q343 WeakPolarHBondContact O-CB 3.49Å; V340-Q343 PolarHBondContact O-N 2.91Å; V340-Q344 PolarHBondContact O-N 2.99Å
341	Q	81.3	Confident	77	Confident	106 Å²	106	60.4 Å²	60.4	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-40.7	179.7	-72.8	-176.7	0.6	0	0	112.6	L191 L337 Y338 Q343 Q344 L345	L191-Q341 HydrophobicContact CD2-CB 3.97Å; L337-Q341 WeakPolarHBondContact O-CB 3.43Å; L337-Q341 WeakPolarHBondContact O-CG 3.46Å; L337-Q341 PolarHBondContact O-N 3.5Å; Y338-Q341 PolarHBondContact O-N 2.79Å; Q341-Q343 VanDerWaalsContact C-N 3.35Å; Q341-Q344 PolarHBondContact O-N 3.08Å; Q341-L345 WeakPolarHBondContact O-CG 3.44Å; Q341-L345 PolarHBondContact O-N 2.88Å
342	S	75.2	Confident	77.8	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.028	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-37.7	174.6	173.5	0	0	0	0	111.4	R291 Y338 V340 L345 D346	R291-S342 VanDerWaalsContact NH1-C 3.35Å; R291-S342 PolarHBondContact NH1-OG 3.43Å; Y338-S342 WeakPolarHBondContact O-CB 3.28Å; Y338-S342 PolarHBondContact O-N 2.91Å; V340-S342 PolarHBondContact O-N 2.86Å; S342-L345 PolarHBondContact O-N 3.27Å; S342-D346 WeakPolarHBondContact O-CB 3.5Å; S342-D346 PolarHBondContact O-N 2.68Å; S342-D346 VanDerWaalsContact O-OD2 3.1Å
343	Q	78.1	Confident	78.4	Confident	106 Å²	106	54.8 Å²	54.8	50%	0.495	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-47.1	172.1	-102.7	152.9	-13.9	0	0	111.9	T339 V340 Q341 L345 D346 E347	T339-Q343 WeakPolarHBondContact O-CB 3.38Å; T339-Q343 PolarHBondContact O-N 3.29Å; T339-Q343 PolarHBondContact O-OE1 2.93Å; V340-Q343 WeakPolarHBondContact O-CB 3.49Å; V340-Q343 PolarHBondContact O-N 2.91Å; Q341-Q343 VanDerWaalsContact C-N 3.35Å; Q343-L345 VanDerWaalsContact C-N 3.35Å; Q343-L345 PolarHBondContact O-N 3.5Å; Q343-D346 PolarHBondContact O-N 2.89Å; Q343-E347 WeakPolarHBondContact O-CB 3.46Å; Q343-E347 PolarHBondContact O-N 3.48Å
344	Q	82.9	Confident	78.8	Confident	101 Å²	101	56 Å²	56	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-41.5	178	-170.9	64.8	57.9	0	0	112	V340 Q341 E347 D348	V340-Q344 PolarHBondContact O-N 2.99Å; Q341-Q344 PolarHBondContact O-N 3.08Å; Q344-E347 PolarHBondContact O-N 3.01Å; Q344-D348 PolarHBondContact NE2-OD1 3.37Å; Q344-D348 WeakPolarHBondContact O-CB 3.29Å; Q344-D348 PolarHBondContact O-N 3.47Å
345	L	82.1	Confident	79.4	Confident	25 Å²	25	56.5 Å²	56.5	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-39	176.7	-72.4	173.1	0	0	0	112.3	L184 Q187 L191 Q341 S342 Q343 T349	L184-L345 HydrophobicContact CD2-CD2 3.8Å; Q187-L345 HydrophobicContact CB-CD1 4.14Å; Q187-L345 HydrophobicContact CB-CD2 4.04Å; L191-L345 HydrophobicContact CD2-CD1 4.02Å; Q341-L345 WeakPolarHBondContact O-CG 3.44Å; Q341-L345 PolarHBondContact O-N 2.88Å; S342-L345 PolarHBondContact O-N 3.27Å; Q343-L345 VanDerWaalsContact C-N 3.35Å; Q343-L345 PolarHBondContact O-N 3.5Å; L345-T349 WeakPolarHBondContact O-CB 3.39Å; L345-T349 PolarHBondContact O-N 3.04Å; L345-T349 PolarHBondContact O-OG1 3.36Å
346	D	76.1	Confident	80.1	Confident	37 Å²	37	57.5 Å²	57.5	20%	0.198	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-45.9	173.6	-71.7	-34.8	0	0	0	110.2	Q188 R291 S342 Q343 T349 I350	Q188-D346 PolarHBondContact NE2-OD1 3.47Å; R291-D346 IonicContact NH1-OD2 3.92Å; R291-D346 PolarHBondContact NH1-OD2 2.92Å; S342-D346 WeakPolarHBondContact O-CB 3.5Å; S342-D346 PolarHBondContact O-N 2.68Å; S342-D346 VanDerWaalsContact O-OD2 3.1Å; Q343-D346 PolarHBondContact O-N 2.89Å; D346-T349 PolarHBondContact O-N 3.09Å; D346-I350 WeakPolarHBondContact O-CG1 3.49Å; D346-I350 PolarHBondContact O-N 3.48Å
347	E	80.5	Confident	80.3	Confident	108 Å²	108	56.3 Å²	56.3	51%	0.505	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-49.2	179.3	-172.6	176.4	166.4	0	0	112.5	Q343 Q344 T349 I350 N351	Q343-E347 WeakPolarHBondContact O-CB 3.46Å; Q343-E347 PolarHBondContact O-N 3.48Å; Q344-E347 PolarHBondContact O-N 3.01Å; E347-T349 PolarHBondContact O-N 3.38Å; E347-I350 PolarHBondContact O-N 3.44Å; E347-N351 WeakPolarHBondContact O-CB 3.32Å; E347-N351 VanDerWaalsContact O-CG 3.24Å; E347-N351 PolarHBondContact O-N 3.37Å; E347-N351 PolarHBondContact O-ND2 3.22Å
348	D	85.9	Confident	80.7	Confident	38 Å²	38	56.9 Å²	56.9	20%	0.203	28%	0.284	C	S	.	.	H	α-helix	trans	-56.5	-37.9	173.8	-89	35.5	0	0	0	111.8	R180 L184 Q344 V352	R180-D348 IonicContact NH2-OD2 2.69Å; L184-D348 HydrophobicContact CD1-CB 3.91Å; L184-D348 HydrophobicContact CD2-CB 3.81Å; Q344-D348 PolarHBondContact NE2-OD1 3.37Å; Q344-D348 WeakPolarHBondContact O-CB 3.29Å; Q344-D348 PolarHBondContact O-N 3.47Å; D348-V352 WeakPolarHBondContact O-CB 3.4Å; D348-V352 VanDerWaalsContact O-CG2 3.26Å; D348-V352 WeakPolarHBondContact O-CG2 3.1Å; D348-V352 PolarHBondContact O-N 3.39Å
349	T	80.8	Confident	81.1	Confident	11 Å²	11	56.5 Å²	56.5	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-70.1	-40.7	179.1	-61	0	0	0	0	111.5	Y181 L345 D346 E347 S353	Y181-T349 HydrophobicContact CD2-CG2 4.03Å; Y181-T349 HydrophobicContact CE2-CG2 3.46Å; Y181-T349 VanDerWaalsContact CE2-CG2 3.46Å; L345-T349 WeakPolarHBondContact O-CB 3.39Å; L345-T349 PolarHBondContact O-N 3.04Å; L345-T349 PolarHBondContact O-OG1 3.36Å; D346-T349 PolarHBondContact O-N 3.09Å; E347-T349 PolarHBondContact O-N 3.38Å; T349-S353 WeakPolarHBondContact O-CB 3.16Å; T349-S353 PolarHBondContact O-N 3.44Å
350	I	78.4	Confident	81.4	Confident	72 Å²	72	58.4 Å²	58.4	37%	0.369	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-53.7	173	-69.8	164.5	0	0	0	109.7	D346 E347 V352 S353 E354	D346-I350 WeakPolarHBondContact O-CG1 3.49Å; D346-I350 PolarHBondContact O-N 3.48Å; E347-I350 PolarHBondContact O-N 3.44Å; I350-V352 VanDerWaalsContact C-N 3.34Å; I350-V352 PolarHBondContact O-N 2.91Å; I350-S353 WeakPolarHBondContact O-CA 3.28Å; I350-S353 WeakPolarHBondContact O-CB 3.25Å; I350-S353 PolarHBondContact O-N 3.36Å; I350-S353 PolarHBondContact O-OG 3.04Å; I350-E354 HydrophobicContact CG2-CG 4.5Å; I350-E354 PolarHBondContact O-N 3.08Å
351	N	83.3	Confident	81.6	Confident	69 Å²	69	57.4 Å²	57.4	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-55.5	-45.8	-179	-69.4	-24.9	0	0	0	112.1	E347 S353 E354 E355	E347-N351 WeakPolarHBondContact O-CB 3.32Å; E347-N351 VanDerWaalsContact O-CG 3.24Å; E347-N351 PolarHBondContact O-N 3.37Å; E347-N351 PolarHBondContact O-ND2 3.22Å; N351-S353 VanDerWaalsContact C-N 3.32Å; N351-S353 PolarHBondContact O-N 3.07Å; N351-E354 PolarHBondContact O-N 2.93Å; N351-E355 PolarHBondContact O-N 3.26Å
352	V	84.5	Confident	81.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.5	-31.4	176.3	173.1	0	0	0	0	112.2	L177 R180 Y181 L184 D348 I350 L356	L177-V352 HydrophobicContact CB-CG1 4.45Å; L177-V352 HydrophobicContact CD2-CG1 4.27Å; L177-V352 WeakPolarHBondContact O-CG1 3.43Å; R180-V352 HydrophobicContact CB-CG1 4.44Å; R180-V352 HydrophobicContact CG-CG2 4.04Å; Y181-V352 HydrophobicContact CD2-CG1 4.37Å; L184-V352 HydrophobicContact CD1-CB 4.39Å; L184-V352 HydrophobicContact CD1-CG2 3.96Å; D348-V352 WeakPolarHBondContact O-CB 3.4Å; D348-V352 VanDerWaalsContact O-CG2 3.26Å; D348-V352 WeakPolarHBondContact O-CG2 3.1Å; D348-V352 PolarHBondContact O-N 3.39Å; I350-V352 VanDerWaalsContact C-N 3.34Å; I350-V352 PolarHBondContact O-N 2.91Å; V352-L356 HydrophobicContact CG1-CD1 4.36Å; V352-L356 WeakPolarHBondContact O-CB 3.33Å; V352-L356 WeakPolarHBondContact O-CG 3.22Å; V352-L356 PolarHBondContact O-N 2.96Å
353	S	79.9	Confident	82.2	Confident	21 Å²	21	55.8 Å²	55.8	15%	0.147	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-35.8	175.6	79.9	0	0	0	0	112.7	T349 I350 N351 L356 E357	T349-S353 WeakPolarHBondContact O-CB 3.16Å; T349-S353 PolarHBondContact O-N 3.44Å; I350-S353 WeakPolarHBondContact O-CA 3.28Å; I350-S353 WeakPolarHBondContact O-CB 3.25Å; I350-S353 PolarHBondContact O-N 3.36Å; I350-S353 PolarHBondContact O-OG 3.04Å; N351-S353 VanDerWaalsContact C-N 3.32Å; N351-S353 PolarHBondContact O-N 3.07Å; S353-L356 WeakPolarHBondContact O-CB 3.23Å; S353-L356 PolarHBondContact O-N 3.05Å; S353-E357 PolarHBondContact O-N 3.46Å; S353-E357 VanDerWaalsContact O-N 3.1Å
354	E	81.6	Confident	82.2	Confident	112 Å²	112	54.1 Å²	54.1	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-69.7	-42.2	173.5	-67.2	-179.5	-177.1	0	0	111.3	I350 N351 L356 E357 Q358	I350-E354 HydrophobicContact CG2-CG 4.5Å; I350-E354 PolarHBondContact O-N 3.08Å; N351-E354 PolarHBondContact O-N 2.93Å; E354-L356 VanDerWaalsContact C-N 3.29Å; E354-L356 PolarHBondContact O-N 3.12Å; E354-E357 PolarHBondContact O-N 3.33Å; E354-Q358 WeakPolarHBondContact O-CG 3.48Å; E354-Q358 PolarHBondContact O-N 3.02Å
355	E	87.7	Confident	82.2	Confident	60 Å²	60	54.1 Å²	54.1	28%	0.28	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-38.1	171.5	-77.8	-160.2	-107.2	0	0	112.5	R173 L177 R180 N351 C359	R173-E355 IonicContact CZ-OE2 3.14Å; R173-E355 IonicContact NE-OE2 3.71Å; R173-E355 IonicContact NH2-OE2 2.82Å; R173-E355 PolarHBondContact NH2-OE2 3.48Å; L177-E355 HydrophobicContact CD1-CB 3.78Å; L177-E355 HydrophobicContact CD2-CB 3.98Å; R180-E355 IonicContact NH1-OE1 2.72Å; N351-E355 PolarHBondContact O-N 3.26Å; E355-C359 WeakPolarHBondContact O-CB 3.43Å; E355-C359 PolarHBondContact O-N 2.89Å
356	L	84.2	Confident	82.4	Confident	26 Å²	26	53.4 Å²	53.4	14%	0.136	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-40.1	175.7	-82.4	167.9	0	0	0	112.5	Y174 L177 I178 Y181 V352 S353 E354 K360	Y174-L356 HydrophobicContact CD2-CD2 3.7Å; Y174-L356 HydrophobicContact CE2-CD2 3.69Å; Y174-L356 HydrophobicContact CG-CD2 4.4Å; L177-L356 HydrophobicContact CB-CD2 3.49Å; L177-L356 VanDerWaalsContact CB-CD2 3.49Å; L177-L356 HydrophobicContact CB-CG 3.76Å; L177-L356 HydrophobicContact CD1-CD2 4.4Å; I178-L356 HydrophobicContact CG1-CD1 4.46Å; I178-L356 HydrophobicContact CG1-CD2 3.75Å; Y181-L356 HydrophobicContact CG-CD1 4.49Å; V352-L356 HydrophobicContact CG1-CD1 4.36Å; V352-L356 WeakPolarHBondContact O-CB 3.33Å; V352-L356 WeakPolarHBondContact O-CG 3.22Å; V352-L356 PolarHBondContact O-N 2.96Å; S353-L356 WeakPolarHBondContact O-CB 3.23Å; S353-L356 PolarHBondContact O-N 3.05Å; E354-L356 VanDerWaalsContact C-N 3.29Å; E354-L356 PolarHBondContact O-N 3.12Å; L356-K360 WeakPolarHBondContact O-CB 3.4Å; L356-K360 PolarHBondContact O-N 2.96Å; L356-K360 VanDerWaalsContact O-N 3.09Å
357	E	79	Confident	82.4	Confident	56 Å²	56	54.4 Å²	54.4	26%	0.262	27%	0.271	S	S	.	.	H	α-helix	trans	-68.4	-45.2	177.3	-174.1	155.7	-125.8	0	0	111.2	H273 S353 E354 K360 I361	H273-E357 IonicContact CE1-OE1 3.14Å; H273-E357 PolarHBondContact CE1-OE1 3.22Å; H273-E357 IonicContact CE1-OE2 2.66Å; H273-E357 IonicContact ND1-OE1 3.97Å; H273-E357 IonicContact NE2-OE1 2.59Å; S353-E357 PolarHBondContact O-N 3.46Å; S353-E357 VanDerWaalsContact O-N 3.1Å; E354-E357 PolarHBondContact O-N 3.33Å; E357-K360 WeakPolarHBondContact O-CB 3.38Å; E357-K360 PolarHBondContact O-N 3.39Å; E357-I361 HydrophobicContact CG-CD1 4.18Å; E357-I361 WeakPolarHBondContact O-CG1 3.35Å; E357-I361 PolarHBondContact O-N 3.25Å
358	Q	83.8	Confident	82.3	Confident	116 Å²	116	53.8 Å²	53.8	54%	0.542	27%	0.268	S	S	.	.	H	α-helix	trans	-59.1	-49.5	174.4	-72.3	-65.9	-12.3	0	0	112.2	E354 K360 I361 T362	E354-Q358 WeakPolarHBondContact O-CG 3.48Å; E354-Q358 PolarHBondContact O-N 3.02Å; Q358-K360 PolarHBondContact O-N 3.49Å; Q358-I361 PolarHBondContact O-N 3.23Å; Q358-T362 PolarHBondContact O-N 2.91Å; Q358-T362 PolarHBondContact O-OG1 3.11Å
359	C	85	Confident	82.1	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-39.1	177.5	-174	0	0	0	0	111.8	E170 Y174 L177 E355 M363	E170-C359 PolarHBondContact O-SG 3.48Å; E170-C359 PolarHBondContact OE2-SG 3.24Å; Y174-C359 HydrophobicContact CD2-CB 4.38Å; L177-C359 HydrophobicContact CD1-CB 4.35Å; E355-C359 WeakPolarHBondContact O-CB 3.43Å; E355-C359 PolarHBondContact O-N 2.89Å; C359-M363 WeakPolarHBondContact O-CB 3.43Å; C359-M363 VanDerWaalsContact O-CG 3.3Å; C359-M363 WeakPolarHBondContact O-CG 3.49Å; C359-M363 PolarHBondContact O-N 3.41Å
360	K	80.8	Confident	81.8	Confident	73 Å²	73	55.2 Å²	55.2	32%	0.317	27%	0.273	S	S	.	.	H	α-helix	trans	-67.7	-39.1	175.1	-173.8	171.6	-176.8	169	0	113.2	Y174 L356 E357 Q358 M363 N364	Y174-K360 HydrophobicContact CE2-CB 4.32Å; L356-K360 WeakPolarHBondContact O-CB 3.4Å; L356-K360 PolarHBondContact O-N 2.96Å; L356-K360 VanDerWaalsContact O-N 3.09Å; E357-K360 WeakPolarHBondContact O-CB 3.38Å; E357-K360 PolarHBondContact O-N 3.39Å; Q358-K360 PolarHBondContact O-N 3.49Å; K360-M363 PolarHBondContact O-N 3.14Å; K360-N364 PolarHBondContact O-N 3.01Å; K360-N364 VanDerWaalsContact O-N 3.08Å; K360-N364 PolarHBondContact O-OD1 3.39Å
361	I	82.5	Confident	81.3	Confident	63 Å²	63	55.8 Å²	55.8	32%	0.323	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-48.2	174.7	-68	164	0	0	0	110.1	E357 Q358 M363 N364 Q365	E357-I361 HydrophobicContact CG-CD1 4.18Å; E357-I361 WeakPolarHBondContact O-CG1 3.35Å; E357-I361 PolarHBondContact O-N 3.25Å; Q358-I361 PolarHBondContact O-N 3.23Å; I361-M363 PolarHBondContact O-N 2.69Å; I361-N364 PolarHBondContact O-N 3.13Å; I361-Q365 WeakPolarHBondContact O-CG 3.21Å; I361-Q365 PolarHBondContact O-N 3.2Å
362	T	87.2	Confident	80.7	Confident	48 Å²	48	56.7 Å²	56.7	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-42.7	177	-53	0	0	0	0	111.9	E170 Q358 N364 Q365 L366	E170-T362 HydrophobicContact CG-CG2 4.14Å; Q358-T362 PolarHBondContact O-N 2.91Å; Q358-T362 PolarHBondContact O-OG1 3.11Å; T362-N364 VanDerWaalsContact C-N 3.34Å; T362-N364 PolarHBondContact O-N 3.02Å; T362-Q365 PolarHBondContact O-N 3.4Å; T362-L366 HydrophobicContact CG2-CD1 4.13Å; T362-L366 HydrophobicContact CG2-CG 4.45Å; T362-L366 WeakPolarHBondContact O-CB 3.44Å; T362-L366 VanDerWaalsContact O-CG 3.31Å; T362-L366 WeakPolarHBondContact O-CG 3.32Å; T362-L366 PolarHBondContact O-N 3.4Å
363	M	81.4	Confident	79.9	Confident	28 Å²	28	57.4 Å²	57.4	14%	0.138	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-43.5	174.5	-78.8	179.3	49.4	0	0	112.5	L167 E170 K171 Y174 C359 K360 I361 L366 I367	L167-M363 HydrophobicContact CD1-CB 4.2Å; L167-M363 HydrophobicContact CD1-CG 4.1Å; E170-M363 HydrophobicContact CB-CG 3.82Å; K171-M363 HydrophobicContact CD-CE 4.47Å; K171-M363 HydrophobicContact CG-CE 3.6Å; K171-M363 HydrophobicContact CG-SD 4.01Å; Y174-M363 HydrophobicContact CG-SD 4.27Å; C359-M363 WeakPolarHBondContact O-CB 3.43Å; C359-M363 VanDerWaalsContact O-CG 3.3Å; C359-M363 WeakPolarHBondContact O-CG 3.49Å; C359-M363 PolarHBondContact O-N 3.41Å; K360-M363 PolarHBondContact O-N 3.14Å; I361-M363 PolarHBondContact O-N 2.69Å; M363-L366 PolarHBondContact O-N 3.25Å; M363-I367 WeakPolarHBondContact O-CD1 3.31Å; M363-I367 VanDerWaalsContact O-CG1 3.27Å; M363-I367 WeakPolarHBondContact O-CG1 3.43Å; M363-I367 PolarHBondContact O-N 2.85Å
364	N	79.5	Confident	78.9	Confident	71 Å²	71	60.4 Å²	60.4	38%	0.38	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-42.2	177.8	-72.4	-2.4	0	0	0	111.9	K360 I361 T362 L366 I367 E368	K360-N364 PolarHBondContact O-N 3.01Å; K360-N364 VanDerWaalsContact O-N 3.08Å; K360-N364 PolarHBondContact O-OD1 3.39Å; I361-N364 PolarHBondContact O-N 3.13Å; T362-N364 VanDerWaalsContact C-N 3.34Å; T362-N364 PolarHBondContact O-N 3.02Å; N364-L366 VanDerWaalsContact C-N 3.33Å; N364-L366 PolarHBondContact O-N 2.92Å; N364-I367 PolarHBondContact O-N 2.83Å; N364-E368 PolarHBondContact O-N 3.44Å
365	Q	83.1	Confident	77.5	Confident	102 Å²	102	61.2 Å²	61.2	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-64.4	-36.2	177	-70.9	171.9	-22.9	0	0	112.7	I361 T362 Q369	I361-Q365 WeakPolarHBondContact O-CG 3.21Å; I361-Q365 PolarHBondContact O-N 3.2Å; T362-Q365 PolarHBondContact O-N 3.4Å; Q365-Q369 WeakPolarHBondContact O-CG 3.39Å; Q365-Q369 PolarHBondContact O-N 2.93Å; Q365-Q369 VanDerWaalsContact O-N 3.1Å
366	L	84.5	Confident	75.6	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-69.3	-37.1	174.3	-71.8	171.8	0	0	0	111.8	L163 Q166 L167 E170 T362 M363 N364 L370	L163-L366 HydrophobicContact CD2-CD2 3.51Å; Q166-L366 HydrophobicContact CB-CD1 4.01Å; Q166-L366 HydrophobicContact CB-CD2 4.15Å; L167-L366 HydrophobicContact CB-CB 4.42Å; L167-L366 HydrophobicContact CB-CD1 4.32Å; L167-L366 HydrophobicContact CD1-CB 4.23Å; E170-L366 HydrophobicContact CG-CD1 4.31Å; T362-L366 HydrophobicContact CG2-CD1 4.13Å; T362-L366 HydrophobicContact CG2-CG 4.45Å; T362-L366 WeakPolarHBondContact O-CB 3.44Å; T362-L366 VanDerWaalsContact O-CG 3.31Å; T362-L366 WeakPolarHBondContact O-CG 3.32Å; T362-L366 PolarHBondContact O-N 3.4Å; M363-L366 PolarHBondContact O-N 3.25Å; N364-L366 VanDerWaalsContact C-N 3.33Å; N364-L366 PolarHBondContact O-N 2.92Å; L366-L370 VanDerWaalsContact O-CG 3.26Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 2.76Å
367	I	77.5	Confident	73.8	Confident	59 Å²	59	62.8 Å²	62.8	30%	0.303	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-46.8	174	-68.7	162.9	0	0	0	110.1	L167 M363 N364 Q369 L370 D371	L167-I367 HydrophobicContact CD1-CD1 4.37Å; L167-I367 HydrophobicContact CD1-CG1 4.06Å; L167-I367 HydrophobicContact CD2-CG1 3.9Å; M363-I367 WeakPolarHBondContact O-CD1 3.31Å; M363-I367 VanDerWaalsContact O-CG1 3.27Å; M363-I367 WeakPolarHBondContact O-CG1 3.43Å; M363-I367 PolarHBondContact O-N 2.85Å; N364-I367 PolarHBondContact O-N 2.83Å; I367-Q369 VanDerWaalsContact C-N 3.29Å; I367-Q369 PolarHBondContact O-N 2.87Å; I367-L370 CarbonylContact O-C 3.52Å; I367-L370 WeakPolarHBondContact O-CA 3.44Å; I367-L370 WeakPolarHBondContact O-CB 3.25Å; I367-L370 PolarHBondContact O-N 3.21Å; I367-D371 PolarHBondContact O-N 3.38Å
368	E	76.7	Confident	72.2	Confident	94 Å²	94	65.4 Å²	65.4	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-39.2	177.2	-172.4	171.9	-163.1	0	0	112.1	N364 D371 E372	N364-E368 PolarHBondContact O-N 3.44Å; E368-D371 PolarHBondContact O-N 3Å; E368-E372 WeakPolarHBondContact O-CB 3.45Å; E368-E372 WeakPolarHBondContact O-CG 3.47Å; E368-E372 PolarHBondContact O-N 2.8Å
369	Q	81.8	Confident	70.2	Confident	70 Å²	70	66.7 Å²	66.7	33%	0.327	34%	0.336	S	S	.	.	H	α-helix	trans	-69.5	-29.6	173.5	-74.4	179	58.5	0	0	114	L163 Q365 I367 I373	L163-Q369 HydrophobicContact CD1-CB 4Å; L163-Q369 HydrophobicContact CD2-CB 4.39Å; Q365-Q369 WeakPolarHBondContact O-CG 3.39Å; Q365-Q369 PolarHBondContact O-N 2.93Å; Q365-Q369 VanDerWaalsContact O-N 3.1Å; I367-Q369 VanDerWaalsContact C-N 3.29Å; I367-Q369 PolarHBondContact O-N 2.87Å; Q369-I373 WeakPolarHBondContact O-CD1 3.49Å; Q369-I373 WeakPolarHBondContact O-CG1 3.4Å; Q369-I373 PolarHBondContact O-N 3.16Å
370	L	76.1	Confident	68.1	Low	10 Å²	10	67.6 Å²	67.6	5%	0.052	34%	0.341	C	S	.	.	H	α-helix	trans	-72.8	-45.2	172.3	-71.5	164.3	0	0	0	110.2	Y160 L163 L167 L366 I367 E372 I373 E374	Y160-L370 HydrophobicContact CD2-CD2 3.42Å; Y160-L370 VanDerWaalsContact CD2-CD2 3.42Å; Y160-L370 HydrophobicContact CE2-CD2 3.44Å; Y160-L370 VanDerWaalsContact CE2-CD2 3.44Å; Y160-L370 HydrophobicContact CG-CD2 4.29Å; L163-L370 HydrophobicContact CB-CD2 3.76Å; L163-L370 HydrophobicContact CB-CG 4.14Å; L163-L370 HydrophobicContact CD1-CD2 4.46Å; L167-L370 HydrophobicContact CD2-CD1 3.69Å; L366-L370 VanDerWaalsContact O-CG 3.26Å; L366-L370 WeakPolarHBondContact O-CG 3.35Å; L366-L370 PolarHBondContact O-N 2.76Å; I367-L370 CarbonylContact O-C 3.52Å; I367-L370 WeakPolarHBondContact O-CA 3.44Å; I367-L370 WeakPolarHBondContact O-CB 3.25Å; I367-L370 PolarHBondContact O-N 3.21Å; L370-E372 VanDerWaalsContact C-N 3.33Å; L370-E372 PolarHBondContact O-N 2.89Å; L370-I373 CarbonylContact O-C 3.51Å; L370-I373 WeakPolarHBondContact O-CA 3.47Å; L370-I373 PolarHBondContact O-N 2.66Å; L370-E374 WeakPolarHBondContact O-CB 3.41Å; L370-E374 WeakPolarHBondContact O-CG 3.47Å; L370-E374 PolarHBondContact O-N 2.91Å
371	D	66.9	Low	66.6	Low	83 Å²	83	66.5 Å²	66.5	44%	0.444	34%	0.34	S	S	.	.	H	α-helix	trans	-58.4	-42.2	176.2	-66	-8.7	0	0	0	111.6	I367 E368 I373 E374 L375	I367-D371 PolarHBondContact O-N 3.38Å; E368-D371 PolarHBondContact O-N 3Å; D371-I373 VanDerWaalsContact C-N 3.34Å; D371-I373 PolarHBondContact O-N 3.25Å; D371-E374 PolarHBondContact O-N 3.48Å; D371-L375 WeakPolarHBondContact O-CB 3.45Å; D371-L375 WeakPolarHBondContact O-CG 3.34Å; D371-L375 PolarHBondContact O-N 3.36Å
372	E	70.3	Confident	65.5	Low	88 Å²	88	65.1 Å²	65.1	41%	0.411	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-37.4	174.3	-77.2	-174	166.6	0	0	112.4	R262 E368 L370	R262-E372 IonicContact CZ-OE1 3.84Å; R262-E372 IonicContact NH2-OE1 2.67Å; R262-E372 PolarHBondContact NH2-OE1 3.14Å; E368-E372 WeakPolarHBondContact O-CB 3.45Å; E368-E372 WeakPolarHBondContact O-CG 3.47Å; E368-E372 PolarHBondContact O-N 2.8Å; L370-E372 VanDerWaalsContact C-N 3.33Å; L370-E372 PolarHBondContact O-N 2.89Å
373	I	68.1	Low	64.7	Low	16 Å²	16	64 Å²	64	8%	0.082	33%	0.327	C	S	.	.	H	α-helix	trans	-73.8	-39	174.8	-73.1	169.4	0	0	0	111.4	L156 R159 Y160 L163 Q369 L370 D371 L375 C376 Q377	L156-I373 HydrophobicContact CD2-CB 4.4Å; L156-I373 HydrophobicContact CD2-CG1 4.18Å; L156-I373 HydrophobicContact CD2-CG2 3.58Å; R159-I373 HydrophobicContact CG-CD1 4.2Å; Y160-I373 HydrophobicContact CD2-CB 4.37Å; Y160-I373 HydrophobicContact CD2-CG2 3.65Å; Y160-I373 HydrophobicContact CG-CG2 4.24Å; L163-I373 HydrophobicContact CD1-CD1 3.58Å; Q369-I373 WeakPolarHBondContact O-CD1 3.49Å; Q369-I373 WeakPolarHBondContact O-CG1 3.4Å; Q369-I373 PolarHBondContact O-N 3.16Å; L370-I373 CarbonylContact O-C 3.51Å; L370-I373 WeakPolarHBondContact O-CA 3.47Å; L370-I373 PolarHBondContact O-N 2.66Å; D371-I373 VanDerWaalsContact C-N 3.34Å; D371-I373 PolarHBondContact O-N 3.25Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 2.85Å; I373-C376 CarbonylContact O-C 3.49Å; I373-C376 WeakPolarHBondContact O-CA 3.39Å; I373-C376 WeakPolarHBondContact O-CB 3.29Å; I373-C376 PolarHBondContact O-N 3.33Å; I373-Q377 HydrophobicContact CG2-CG 3.93Å; I373-Q377 WeakPolarHBondContact O-CG 3.45Å; I373-Q377 PolarHBondContact O-N 2.82Å
374	E	58.3	Low	64.6	Low	84 Å²	84	63.3 Å²	63.3	39%	0.393	32%	0.323	S	S	.	.	H	α-helix	trans	-65.9	-36.2	178.9	-76.7	-179.2	-163.1	0	0	111.7	Y160 L370 D371 C376 Q377	Y160-E374 HydrophobicContact CE2-CG 3.93Å; Y160-E374 PolarHBondContact OH-OE1 2.8Å; Y160-E374 VanDerWaalsContact OH-OE1 3.09Å; L370-E374 WeakPolarHBondContact O-CB 3.41Å; L370-E374 WeakPolarHBondContact O-CG 3.47Å; L370-E374 PolarHBondContact O-N 2.91Å; D371-E374 PolarHBondContact O-N 3.48Å; E374-C376 PolarHBondContact O-N 3Å; E374-Q377 PolarHBondContact O-N 3.29Å; E374-Q377 VanDerWaalsContact O-N 3.07Å
375	L	53.3	Low	64.8	Low	129 Å²	129	60 Å²	60	68%	0.675	31%	0.306	S	S	*	.	H	α-helix	trans	-58.6	-29.9	168.6	-83.6	161.2	0	0	0	113	D371 I373	D371-L375 WeakPolarHBondContact O-CB 3.45Å; D371-L375 WeakPolarHBondContact O-CG 3.34Å; D371-L375 PolarHBondContact O-N 3.36Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 2.85Å
376	C	48.4	Very low	65	Low	64 Å²	64	56.7 Å²	56.7	43%	0.432	29%	0.29	S	S	.	.	H	α-helix	trans	-83	-36.1	169.8	-62.5	0	0	0	0	112.7	I373 E374 N378 H379 L380	I373-C376 CarbonylContact O-C 3.49Å; I373-C376 WeakPolarHBondContact O-CA 3.39Å; I373-C376 WeakPolarHBondContact O-CB 3.29Å; I373-C376 PolarHBondContact O-N 3.33Å; E374-C376 PolarHBondContact O-N 3Å; C376-N378 PolarHBondContact O-N 3.33Å; C376-N378 VanDerWaalsContact O-N 3.08Å; C376-H379 PolarHBondContact O-N 2.76Å; C376-L380 HydrophobicContact CB-CD1 3.93Å; C376-L380 WeakPolarHBondContact O-CD1 3.4Å
377	Q	45.9	Very low	65.1	Low	54 Å²	54	56.3 Å²	56.3	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-63.5	-17.2	-169.7	-82.7	-176.1	-2.4	0	0	115.9	Y160 I373 E374 H379 L380	Y160-Q377 VanDerWaalsContact CD2-NE2 3.3Å; I373-Q377 HydrophobicContact CG2-CG 3.93Å; I373-Q377 WeakPolarHBondContact O-CG 3.45Å; I373-Q377 PolarHBondContact O-N 2.82Å; E374-Q377 PolarHBondContact O-N 3.29Å; E374-Q377 VanDerWaalsContact O-N 3.07Å; Q377-H379 PolarHBondContact O-N 3.22Å; Q377-L380 HydrophobicContact CG-CB 4.39Å; Q377-L380 HydrophobicContact CG-CD1 4.17Å; Q377-L380 PolarHBondContact O-N 3.31Å
378	N	44.4	Very low	65.4	Low	111 Å²	111	54.7 Å²	54.7	59%	0.594	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-3.8	166.4	-78.8	-27.5	0	0	0	113.8	C376	C376-N378 PolarHBondContact O-N 3.33Å; C376-N378 VanDerWaalsContact O-N 3.08Å
379	H	41.7	Very low	65.9	Low	143 Å²	143	50.2 Å²	50.2	66%	0.662	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	-6.8	172.9	-57.3	-27.7	0	0	0	115.2	C376 Q377	C376-H379 PolarHBondContact O-N 2.76Å; Q377-H379 PolarHBondContact O-N 3.22Å
380	L	42	Very low	65.9	Low	21 Å²	21	48.5 Å²	48.5	11%	0.11	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-18	-166.8	-88.6	110.1	0	0	0	116.6	L149 D153 L156 C376 Q377	L149-L380 WeakPolarHBondContact CD2-O 3.49Å; D153-L380 HydrophobicContact CB-CD2 3.84Å; L156-L380 HydrophobicContact CB-CD2 3.78Å; L156-L380 HydrophobicContact CD1-CD2 4.18Å; L156-L380 HydrophobicContact CD2-CD1 4.14Å; L156-L380 HydrophobicContact CD2-CD2 3.9Å; L156-L380 HydrophobicContact CG-CD2 4.16Å; C376-L380 HydrophobicContact CB-CD1 3.93Å; C376-L380 WeakPolarHBondContact O-CD1 3.4Å; Q377-L380 HydrophobicContact CG-CB 4.39Å; Q377-L380 HydrophobicContact CG-CD1 4.17Å; Q377-L380 PolarHBondContact O-N 3.31Å
381	V	50	Low	66	Low	49 Å²	49	48.1 Å²	48.1	30%	0.297	25%	0.249	S	C	.	.			trans	-132.8	96.9	166.8	-175.5	0	0	0	0	108.9	I146 L149 K383	I146-V381 HydrophobicContact CG2-CG1 4.09Å; L149-V381 HydrophobicContact CD2-CG2 4.12Å; V381-K383 VanDerWaalsContact C-N 3.34Å; V381-K383 HydrophobicContact CG1-CG 4.28Å; V381-K383 PolarHBondContact O-N 3.2Å
382	S	57.6	Low	66.2	Low	34 Å²	34	49.8 Å²	49.8	24%	0.238	25%	0.254	C	S	.	.			trans	-73.8	92.9	169.5	-160	0	0	0	0	108.6	N147 E384	N147-S382 PolarHBondContact N-O 2.89Å; S382-E384 VanDerWaalsContact OG-CG 3.25Å; S382-E384 WeakPolarHBondContact OG-CG 3.4Å; S382-E384 PolarHBondContact OG-OE1 3.43Å
383	K	71.1	Confident	66.5	Low	25 Å²	25	47.4 Å²	47.4	11%	0.109	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	121.3	157	-79.4	178.8	160.1	-178.4	0	107.3	L79 P80 S81 V83 F144 I146 V381	L79-K383 HydrophobicContact CB-CB 3.92Å; L79-K383 WeakPolarHBondContact CB-O 3.34Å; L79-K383 PolarHBondContact N-O 3.46Å; P80-K383 WeakPolarHBondContact O-CD 3.3Å; S81-K383 WeakPolarHBondContact O-CE 3.45Å; S81-K383 PolarHBondContact O-NZ 2.79Å; V83-K383 HydrophobicContact CB-CD 4.37Å; V83-K383 HydrophobicContact CG1-CD 4.06Å; V83-K383 PolarHBondContact O-NZ 3.41Å; F144-K383 HydrophobicContact CE2-CB 4.09Å; F144-K383 HydrophobicContact CE2-CG 4.32Å; F144-K383 HydrophobicContact CZ-CB 3.95Å; F144-K383 HydrophobicContact CZ-CD 3.74Å; F144-K383 HydrophobicContact CZ-CG 3.67Å; I146-K383 HydrophobicContact CG1-CG 4.49Å; V381-K383 VanDerWaalsContact C-N 3.34Å; V381-K383 HydrophobicContact CG1-CG 4.28Å; V381-K383 PolarHBondContact O-N 3.2Å
384	E	79.6	Confident	67.1	Low	14 Å²	14	50.5 Å²	50.5	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140	-178.7	-56.5	-171	178.2	0	0	111	V75 F76 K77 H145 N147 S382 H386	V75-E384 WeakPolarHBondContact CG1-OE2 3.31Å; F76-E384 WeakPolarHBondContact O-CA 3.5Å; K77-E384 VanDerWaalsContact CE-OE1 3.24Å; K77-E384 WeakPolarHBondContact CE-OE1 3.38Å; K77-E384 HydrophobicContact CG-CG 4.18Å; K77-E384 IonicContact NZ-OE1 3.54Å; H145-E384 HydrophobicContact CB-CB 4.45Å; H145-E384 PolarHBondContact N-O 3.32Å; H145-E384 PolarHBondContact O-N 3.07Å; N147-E384 PolarHBondContact ND2-OE1 3.06Å; S382-E384 VanDerWaalsContact OG-CG 3.25Å; S382-E384 WeakPolarHBondContact OG-CG 3.4Å; S382-E384 PolarHBondContact OG-OE1 3.43Å; E384-H386 IonicContact OE2-CE1 3.18Å; E384-H386 IonicContact OE2-NE2 3.83Å; E384-H386 PolarHBondContact OE2-NE2 3.48Å
385	L	83.9	Confident	68.3	Low	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.1	168.5	-170.4	78.4	0	0	0	108.1	F76 L79 F88 V90 V142 F144 V387 I401	F76-L385 HydrophobicContact CB-CB 4.08Å; F76-L385 HydrophobicContact CD2-CB 4.33Å; F76-L385 HydrophobicContact CD2-CD2 4.43Å; F76-L385 WeakPolarHBondContact CD2-O 3.43Å; F76-L385 PolarHBondContact N-O 2.94Å; F76-L385 PolarHBondContact O-N 3.43Å; F76-L385 VanDerWaalsContact O-N 3.07Å; L79-L385 HydrophobicContact CD1-CB 3.8Å; F88-L385 HydrophobicContact CB-CD1 4.33Å; F88-L385 HydrophobicContact CD1-CD1 3.87Å; F88-L385 HydrophobicContact CD1-CD2 3.74Å; F88-L385 HydrophobicContact CD1-CG 4.35Å; F88-L385 HydrophobicContact CD2-CD1 4.21Å; F88-L385 HydrophobicContact CE1-CD1 4.24Å; F88-L385 HydrophobicContact CE1-CD2 4.09Å; F88-L385 HydrophobicContact CG-CD1 3.86Å; F88-L385 HydrophobicContact CG-CD2 4.47Å; V90-L385 HydrophobicContact CG2-CD2 4.13Å; V142-L385 HydrophobicContact CG1-CD1 3.71Å; V142-L385 HydrophobicContact CG1-CD2 4.47Å; V142-L385 HydrophobicContact CG1-CG 4.19Å; F144-L385 HydrophobicContact CD2-CD1 4.43Å; L385-V387 HydrophobicContact CD2-CG2 3.84Å; L385-V387 HydrophobicContact CG-CG2 4.05Å; L385-I401 HydrophobicContact CD2-CD1 4.16Å; L385-I401 HydrophobicContact CD2-CG2 3.96Å
386	H	86.7	Confident	69.7	Low	32 Å²	32	45.6 Å²	45.6	15%	0.148	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	106.8	-178.4	-77.8	-126.8	0	0	0	107.6	L73 L74 V75 V142 R143 H145 E384	L73-H386 HydrophobicContact CD1-CB 4.07Å; L74-H386 CarbonylContact O-C 3.59Å; L74-H386 WeakPolarHBondContact O-CA 3.21Å; V75-H386 WeakPolarHBondContact CG1-NE2 2.94Å; V142-H386 CarbonylContact C-O 3.52Å; V142-H386 WeakPolarHBondContact CA-O 3.5Å; R143-H386 HydrophobicContact CB-CB 4.21Å; R143-H386 PolarHBondContact N-O 2.95Å; R143-H386 PolarHBondContact O-N 2.98Å; H145-H386 AromaticContact CD2-CD2 3.7Å; H145-H386 AromaticContact CD2-CE1 3.96Å; H145-H386 AromaticContact CD2-CG 3.81Å; H145-H386 AromaticContact CD2-ND1 3.98Å; H145-H386 AromaticContact CD2-NE2 3.81Å; E384-H386 IonicContact OE2-CE1 3.18Å; E384-H386 IonicContact OE2-NE2 3.83Å; E384-H386 PolarHBondContact OE2-NE2 3.48Å
387	V	86.2	Confident	71.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.1	-177.8	-178.7	0	0	0	0	108.7	L74 F76 V90 I139 V142 L385 L389 L399	L74-V387 HydrophobicContact CB-CB 4.24Å; L74-V387 PolarHBondContact N-O 2.99Å; L74-V387 PolarHBondContact O-N 2.85Å; F76-V387 HydrophobicContact CD2-CG2 4.22Å; F76-V387 HydrophobicContact CE2-CB 4.43Å; F76-V387 HydrophobicContact CE2-CG2 3.93Å; V90-V387 HydrophobicContact CG1-CG1 4.18Å; V90-V387 HydrophobicContact CG1-CG2 4.42Å; V90-V387 HydrophobicContact CG2-CG2 4.32Å; I139-V387 HydrophobicContact CG2-CG1 4.3Å; V142-V387 HydrophobicContact CG1-CG2 4.44Å; V142-V387 HydrophobicContact CG2-CG1 4.41Å; L385-V387 HydrophobicContact CD2-CG2 3.84Å; L385-V387 HydrophobicContact CG-CG2 4.05Å; V387-L389 HydrophobicContact CG1-CD2 3.83Å; V387-L389 HydrophobicContact CG1-CG 4.16Å; V387-L399 HydrophobicContact CG1-CD2 4.34Å
388	L	85	Confident	73.2	Confident	25 Å²	25	40.8 Å²	40.8	13%	0.131	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118	176	-169.1	62.8	0	0	0	109.3	L36 L73 Q140 D141	L36-L388 HydrophobicContact CD1-CD1 3.73Å; L73-L388 HydrophobicContact CB-CD1 4.17Å; L73-L388 HydrophobicContact CD1-CD1 4.38Å; Q140-L388 HydrophobicContact CB-CB 4.37Å; Q140-L388 HydrophobicContact CB-CD2 4.27Å; Q140-L388 HydrophobicContact CB-CG 4.19Å; Q140-L388 HydrophobicContact CG-CD2 4.14Å; Q140-L388 PolarHBondContact N-O 2.84Å; D141-L388 HydrophobicContact CB-CB 3.89Å; D141-L388 HydrophobicContact CB-CD2 4.24Å; D141-L388 PolarHBondContact N-O 2.81Å; D141-L388 PolarHBondContact O-N 3.45Å
389	L	86.4	Confident	75.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.6	179	-60.6	177.7	0	0	0	110.4	P64 V66 S71 S72 L74 I92 I139 V387 L399	P64-L389 HydrophobicContact CG-CD1 3.89Å; V66-L389 HydrophobicContact CG2-CB 4.45Å; V66-L389 HydrophobicContact CG2-CD1 4Å; S71-L389 CarbonylContact C-O 3.6Å; S71-L389 WeakPolarHBondContact CA-O 3.49Å; S72-L389 PolarHBondContact N-O 3.02Å; S72-L389 PolarHBondContact O-N 3.31Å; L74-L389 HydrophobicContact CD1-CD1 4.15Å; I92-L389 HydrophobicContact CD1-CD2 4.05Å; I139-L389 HydrophobicContact CG1-CD2 3.97Å; V387-L389 HydrophobicContact CG1-CD2 3.83Å; V387-L389 HydrophobicContact CG1-CG 4.16Å; L389-L399 HydrophobicContact CD2-CD1 4.14Å
390	E	81.4	Confident	77.5	Confident	35 Å²	35	30.4 Å²	30.4	16%	0.164	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.9	168.9	-159.3	-171.6	109	0	0	109.8	Y32 A137 Y138 Q140	Y32-E390 PolarHBondContact OH-OE2 2.99Å; A137-E390 CarbonylContact C-O 3.52Å; A137-E390 WeakPolarHBondContact CA-O 3.49Å; Y138-E390 HydrophobicContact CD1-CB 4.42Å; Y138-E390 WeakPolarHBondContact CD1-O 3.39Å; Y138-E390 HydrophobicContact CE1-CB 3.83Å; Y138-E390 HydrophobicContact CE1-CG 4.28Å; Y138-E390 HydrophobicContact CE2-CB 4.27Å; Y138-E390 PolarHBondContact N-O 3.15Å; Y138-E390 PolarHBondContact O-N 2.81Å; Y138-E390 PolarHBondContact OH-OE1 3.37Å; Y138-E390 PolarHBondContact OH-OE2 3.49Å; Q140-E390 PolarHBondContact NE2-OE2 2.85Å
391	A	78.1	Confident	79.7	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.1	-178.7	0	0	0	0	0	113.9	V66 G69 A137 S393 L395	V66-A391 HydrophobicContact CB-CB 4.21Å; V66-A391 HydrophobicContact CG1-CB 3.53Å; G69-A391 PolarHBondContact N-O 3.34Å; A137-A391 HydrophobicContact CB-CB 3.88Å; A391-S393 WeakPolarHBondContact CB-O 3.4Å; A391-S393 PolarHBondContact O-N 3.04Å; A391-L395 HydrophobicContact CB-CD1 4.34Å; A391-L395 HydrophobicContact CB-CG 4.38Å
392	H	72.5	Confident	81.5	Confident	119 Å²	119	28.7 Å²	28.7	55%	0.551	16%	0.158	S	C	*	.	S	Bend	trans	-76.5	-6.4	178.2	-55.6	-52.7	0	0	0	113.8	K68 L136 Y138	K68-H392 WeakPolarHBondContact CE-O 3.47Å; L136-H392 PolarHBondContact O-N 3.42Å; Y138-H392 AromaticContact CE1-CE1 3.72Å; Y138-H392 AromaticContact CE1-NE2 3.71Å
393	S	76.6	Confident	82.9	Confident	38 Å²	38	27.2 Å²	27.2	27%	0.266	15%	0.147	S	C	.	.	S	Bend	trans	-151.3	159.8	172.3	48.4	0	0	0	0	110	A391 L395	A391-S393 WeakPolarHBondContact CB-O 3.4Å; A391-S393 PolarHBondContact O-N 3.04Å; S393-L395 WeakPolarHBondContact O-CD2 3.16Å; S393-L395 WeakPolarHBondContact O-CG 3.32Å; S393-L395 PolarHBondContact O-N 3.04Å; S393-L395 WeakPolarHBondContact OG-CD2 3.31Å
394	S	80.3	Confident	83.7	Confident	80 Å²	80	26.8 Å²	26.8	56%	0.559	15%	0.147	S	C	*	.			trans	-75.2	125.7	179	-55.8	0	0	0	0	109.8	V66 K68	V66-S394 CarbonylContact O-C 3.52Å; V66-S394 WeakPolarHBondContact O-CA 3.43Å; K68-S394 WeakPolarHBondContact CB-OG 3.08Å; K68-S394 PolarHBondContact N-OG 2.93Å
395	L	82.9	Confident	84	Confident	16 Å²	16	26.1 Å²	26.1	8%	0.084	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-161.7	160.5	-172.1	47.9	91.8	0	0	0	112.8	V66 Q135 A137 A391 S393 P397	V66-L395 PolarHBondContact N-O 3.15Å; V66-L395 PolarHBondContact O-N 3.5Å; Q135-L395 HydrophobicContact CB-CD2 3.91Å; Q135-L395 HydrophobicContact CG-CD2 4.3Å; A137-L395 HydrophobicContact CB-CD1 3.63Å; A391-L395 HydrophobicContact CB-CD1 4.34Å; A391-L395 HydrophobicContact CB-CG 4.38Å; S393-L395 WeakPolarHBondContact O-CD2 3.16Å; S393-L395 WeakPolarHBondContact O-CG 3.32Å; S393-L395 PolarHBondContact O-N 3.04Å; S393-L395 WeakPolarHBondContact OG-CD2 3.31Å; L395-P397 HydrophobicContact CD1-CB 4.2Å; L395-P397 HydrophobicContact CD1-CG 4.05Å; L395-P397 VanDerWaalsContact O-CD 3.25Å; L395-P397 WeakPolarHBondContact O-CD 3.39Å
396	N	83.7	Confident	83.9	Confident	95 Å²	95	29.3 Å²	29.3	51%	0.508	16%	0.16	S	C	.	.			trans	-113.4	79.4	-179.6	-58.5	3.2	0	0	0	109.2	P64	P64-N396 WeakPolarHBondContact O-CA 3.33Å
397	P	81.1	Confident	83.7	Confident	6 Å²	6	33.5 Å²	33.5	4%	0.039	18%	0.18	C	C	.	.			trans	-66.6	145.7	-178.3	27.8	-29.9	0	0	0	110.4	K63 P64 V66 I92 A137 L395 L399	K63-P397 WeakPolarHBondContact CA-O 3.43Å; P64-P397 HydrophobicContact CG-CG 4.34Å; P64-P397 WeakPolarHBondContact O-CD 3.45Å; V66-P397 HydrophobicContact CG2-CG 4.03Å; I92-P397 HydrophobicContact CG2-CB 3.8Å; A137-P397 HydrophobicContact CB-CB 4.49Å; A137-P397 HydrophobicContact CB-CG 4.2Å; L395-P397 HydrophobicContact CD1-CB 4.2Å; L395-P397 HydrophobicContact CD1-CG 4.05Å; L395-P397 VanDerWaalsContact O-CD 3.25Å; L395-P397 WeakPolarHBondContact O-CD 3.39Å; P397-L399 PolarHBondContact O-N 3.16Å
398	D	86.1	Confident	83.7	Confident	10 Å²	10	33.6 Å²	33.6	5%	0.053	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	100.5	169.4	-159.6	-30.1	0	0	0	107.3	K47 S61 K63 N93	K47-D398 IonicContact NZ-OD1 3.25Å; K47-D398 PolarHBondContact NZ-OD1 2.8Å; K47-D398 VanDerWaalsContact NZ-OD1 3.14Å; K47-D398 IonicContact NZ-OD2 2.74Å; K47-D398 PolarHBondContact NZ-OD2 3.17Å; S61-D398 PolarHBondContact OG-OD1 2.89Å; K63-D398 WeakPolarHBondContact CE-OD2 3.49Å; K63-D398 HydrophobicContact CG-CB 4.5Å; K63-D398 IonicContact NZ-OD2 3.05Å; K63-D398 PolarHBondContact NZ-OD2 3.17Å; N93-D398 HydrophobicContact CB-CB 4.19Å; N93-D398 PolarHBondContact N-O 3.19Å
399	L	87.8	Confident	84	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.5	179.8	-169.6	79.2	0	0	0	108.6	S61 T62 L74 F76 V90 E91 I92 V387 L389 P397 I401	S61-L399 WeakPolarHBondContact CA-O 3.25Å; T62-L399 HydrophobicContact CG2-CB 4.3Å; T62-L399 HydrophobicContact CG2-CD2 4.38Å; T62-L399 PolarHBondContact N-O 3.22Å; T62-L399 PolarHBondContact O-N 3.47Å; L74-L399 HydrophobicContact CD2-CD2 3.92Å; F76-L399 HydrophobicContact CE2-CD2 4.28Å; F76-L399 HydrophobicContact CZ-CD2 4.02Å; V90-L399 HydrophobicContact CG1-CD1 3.66Å; V90-L399 HydrophobicContact CG1-CD2 4.26Å; V90-L399 HydrophobicContact CG1-CG 4.01Å; E91-L399 WeakPolarHBondContact O-CA 3.5Å; I92-L399 HydrophobicContact CG1-CD1 3.64Å; V387-L399 HydrophobicContact CG1-CD2 4.34Å; L389-L399 HydrophobicContact CD2-CD1 4.14Å; P397-L399 PolarHBondContact O-N 3.16Å; L399-I401 HydrophobicContact CD2-CD1 4.08Å; L399-I401 HydrophobicContact CD2-CG1 4.41Å; L399-I401 HydrophobicContact CG-CG1 4.48Å
400	E	87.9	Confident	84.3	Confident	36 Å²	36	34.7 Å²	34.7	17%	0.168	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134	172.7	-81	-177.8	-176.1	0	0	110.9	K47 R60 V90 E91 N93	K47-E400 HydrophobicContact CD-CG 4.38Å; K47-E400 WeakPolarHBondContact CD-OE1 3.35Å; K47-E400 WeakPolarHBondContact CE-OE1 3.46Å; K47-E400 IonicContact NZ-OE1 3.1Å; K47-E400 PolarHBondContact NZ-OE1 2.97Å; R60-E400 CarbonylContact O-C 3.54Å; R60-E400 WeakPolarHBondContact O-CA 3.49Å; V90-E400 CarbonylContact C-O 3.55Å; V90-E400 WeakPolarHBondContact CA-O 3.31Å; E91-E400 PolarHBondContact N-O 3.31Å; E91-E400 PolarHBondContact O-N 3.39Å; N93-E400 PolarHBondContact ND2-OE1 3.37Å; N93-E400 PolarHBondContact ND2-OE2 2.93Å
401	I	88.2	Confident	85	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.4	178.8	-64.4	169.2	0	0	0	107.8	C59 R60 F76 F88 R89 V90 L385 L399 Y403	C59-I401 CarbonylContact C-O 3.53Å; C59-I401 WeakPolarHBondContact CA-O 3.43Å; R60-I401 PolarHBondContact N-O 3.43Å; R60-I401 PolarHBondContact O-N 3.28Å; F76-I401 HydrophobicContact CD1-CD1 3.86Å; F76-I401 HydrophobicContact CD2-CD1 3.81Å; F76-I401 HydrophobicContact CE1-CD1 3.33Å; F76-I401 HydrophobicContact CE2-CD1 3.27Å; F76-I401 HydrophobicContact CG-CD1 4.11Å; F76-I401 HydrophobicContact CZ-CD1 3.03Å; F76-I401 HydrophobicContact CZ-CG1 4.43Å; F88-I401 HydrophobicContact CD1-CG2 4.16Å; F88-I401 HydrophobicContact CE1-CG2 4.49Å; R89-I401 WeakPolarHBondContact O-CA 3.42Å; V90-I401 HydrophobicContact CG1-CG1 4.01Å; V90-I401 HydrophobicContact CG2-CG1 4.19Å; L385-I401 HydrophobicContact CD2-CD1 4.16Å; L385-I401 HydrophobicContact CD2-CG2 3.96Å; L399-I401 HydrophobicContact CD2-CD1 4.08Å; L399-I401 HydrophobicContact CD2-CG1 4.41Å; L399-I401 HydrophobicContact CG-CG1 4.48Å; I401-Y403 HydrophobicContact CG2-CD1 4.12Å
402	T	88.2	Confident	85.8	Confident	30 Å²	30	38 Å²	38	18%	0.184	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.4	175.6	-56.6	0	0	0	0	109.2	V57 I58 F88 R89	V57-T402 HydrophobicContact CG1-CG2 3.33Å; I58-T402 VanDerWaalsContact O-CA 3.29Å; I58-T402 WeakPolarHBondContact O-CA 3.24Å; F88-T402 WeakPolarHBondContact CA-O 3.49Å; R89-T402 PolarHBondContact N-O 3.31Å; R89-T402 PolarHBondContact O-N 3.23Å
403	Y	87.6	Confident	87	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	165.6	173.8	56.3	-94.9	0	0	0	110.4	V57 I58 R60 L79 P80 V83 F88 I401 V405	V57-Y403 CarbonylContact C-O 3.57Å; V57-Y403 WeakPolarHBondContact CA-O 3.42Å; I58-Y403 HydrophobicContact CB-CD2 4.19Å; I58-Y403 HydrophobicContact CB-CE1 4.41Å; I58-Y403 HydrophobicContact CB-CE2 3.75Å; I58-Y403 HydrophobicContact CD1-CE2 3.86Å; I58-Y403 HydrophobicContact CG1-CE2 4.26Å; I58-Y403 HydrophobicContact CG2-CE1 4.17Å; I58-Y403 HydrophobicContact CG2-CE2 4.11Å; I58-Y403 PolarHBondContact N-O 3.37Å; I58-Y403 PolarHBondContact O-N 2.93Å; R60-Y403 HydrophobicContact CG-CE1 4.32Å; R60-Y403 PolarHBondContact NE-OH 3.26Å; R60-Y403 PolarHBondContact NH2-OH 3.43Å; L79-Y403 HydrophobicContact CD2-CE1 4.11Å; P80-Y403 HydrophobicContact CG-CE2 4.46Å; V83-Y403 HydrophobicContact CG2-CD2 3.21Å; V83-Y403 HydrophobicContact CG2-CE2 3.58Å; V83-Y403 HydrophobicContact CG2-CG 3.92Å; F88-Y403 HydrophobicContact CD1-CD1 4.33Å; F88-Y403 HydrophobicContact CD1-CG 4.39Å; F88-Y403 AromaticContact CE1-CD1 3.8Å; F88-Y403 HydrophobicContact CE1-CD1 3.8Å; F88-Y403 AromaticContact CE1-CG 3.85Å; F88-Y403 HydrophobicContact CE1-CG 3.85Å; F88-Y403 HydrophobicContact CZ-CG 4.34Å; I401-Y403 HydrophobicContact CG2-CD1 4.12Å; Y403-V405 HydrophobicContact CD2-CG1 4.05Å; Y403-V405 HydrophobicContact CE2-CG1 3.88Å
404	T	88	Confident	88	Confident	17 Å²	17	31.7 Å²	31.7	10%	0.104	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	148	173.7	70.5	0	0	0	0	112.1	A56 V57 V83 D84 S87	A56-T404 CarbonylContact O-C 3.54Å; A56-T404 VanDerWaalsContact O-CA 3.24Å; A56-T404 WeakPolarHBondContact O-CA 3.46Å; V57-T404 HydrophobicContact CB-CG2 4.47Å; V57-T404 HydrophobicContact CG1-CG2 4.32Å; V57-T404 HydrophobicContact CG2-CG2 4.08Å; V83-T404 WeakPolarHBondContact CA-O 3.43Å; D84-T404 PolarHBondContact N-O 3.31Å; S87-T404 WeakPolarHBondContact CB-OG1 3.36Å; S87-T404 PolarHBondContact OG-N 3.17Å; S87-T404 PolarHBondContact OG-OG1 3.2Å
405	V	86.3	Confident	88.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.2	172.8	-70.2	0	0	0	0	108.9	N55 A56 I58 P80 V83 Y403 V408 T437 W441	N55-V405 CarbonylContact C-O 3.59Å; N55-V405 WeakPolarHBondContact CA-O 3.44Å; N55-V405 VanDerWaalsContact CB-O 3.23Å; N55-V405 WeakPolarHBondContact CB-O 3.18Å; A56-V405 HydrophobicContact CB-CG2 4.01Å; A56-V405 PolarHBondContact N-O 2.97Å; A56-V405 PolarHBondContact O-N 3.43Å; I58-V405 HydrophobicContact CD1-CG1 4.14Å; I58-V405 HydrophobicContact CD1-CG2 3.68Å; I58-V405 HydrophobicContact CG1-CG2 4.16Å; P80-V405 HydrophobicContact CB-CG1 3.92Å; P80-V405 HydrophobicContact CG-CG1 3.97Å; V83-V405 HydrophobicContact CB-CG1 4.49Å; V83-V405 HydrophobicContact CG2-CG1 3.85Å; Y403-V405 HydrophobicContact CD2-CG1 4.05Å; Y403-V405 HydrophobicContact CE2-CG1 3.88Å; V405-V408 HydrophobicContact CG2-CG2 4.07Å; V405-T437 HydrophobicContact CB-CG2 3.98Å; V405-T437 HydrophobicContact CG2-CG2 3.76Å; V405-W441 HydrophobicContact CG2-CZ2 4.19Å
406	D	82.1	Confident	89.5	Confident	68 Å²	68	27.4 Å²	27.4	36%	0.364	15%	0.152	S	C	.	.	S	Bend	trans	-85.3	-164.9	175.4	77.3	2.8	0	0	0	111.4	N82 V408	N82-D406 VanDerWaalsContact CB-OD1 3.25Å; N82-D406 WeakPolarHBondContact CB-OD1 3.34Å; N82-D406 VanDerWaalsContact ND2-C 3.34Å; N82-D406 PolarHBondContact ND2-O 3.49Å; N82-D406 PolarHBondContact ND2-OD1 3.09Å; N82-D406 PolarHBondContact O-N 3.46Å; D406-V408 WeakPolarHBondContact O-CG2 3.49Å; D406-V408 PolarHBondContact O-N 3.49Å
407	H	81.4	Confident	90.2	Very high	120 Å²	120	26.3 Å²	26.3	56%	0.556	14%	0.141	S	C	*	.	S	Bend	trans	55.8	26	176.5	-67.4	47.9	0	0	0	113.7	N436	H407-N436 HydrophobicContact CB-CB 4.42Å; H407-N436 PolarHBondContact O-N 2.91Å
408	V	86.8	Confident	91	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.9	170.1	-168.2	0	0	0	0	108.9	V51 R54 N55 A56 V405 D406 R434 Q435 T437 W441	V51-V408 HydrophobicContact CB-CG1 4.46Å; V51-V408 HydrophobicContact CG1-CG1 3.45Å; V51-V408 VanDerWaalsContact CG1-CG1 3.45Å; V51-V408 HydrophobicContact CG2-CG1 4.33Å; R54-V408 CarbonylContact C-O 3.59Å; R54-V408 WeakPolarHBondContact CA-O 3.34Å; R54-V408 VanDerWaalsContact O-O 3.11Å; N55-V408 PolarHBondContact N-O 3.3Å; A56-V408 HydrophobicContact CB-CB 4.06Å; A56-V408 HydrophobicContact CB-CG1 4.07Å; A56-V408 HydrophobicContact CB-CG2 3.8Å; V405-V408 HydrophobicContact CG2-CG2 4.07Å; D406-V408 WeakPolarHBondContact O-CG2 3.49Å; D406-V408 PolarHBondContact O-N 3.49Å; V408-R434 WeakPolarHBondContact CA-O 3.46Å; V408-Q435 HydrophobicContact CB-CB 4.31Å; V408-Q435 HydrophobicContact CG1-CB 3.75Å; V408-Q435 HydrophobicContact CG2-CB 4Å; V408-T437 HydrophobicContact CG2-CG2 3.79Å; V408-W441 HydrophobicContact CB-CH2 4.44Å; V408-W441 HydrophobicContact CG1-CH2 3.78Å; V408-W441 HydrophobicContact CG1-CZ3 4.43Å; V408-W441 HydrophobicContact CG2-CH2 3.79Å; V408-W441 HydrophobicContact CG2-CZ2 4Å
409	S	90.2	Very high	91.4	Very high	45 Å²	45	27.6 Å²	27.6	32%	0.315	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.8	169.3	56	0	0	0	0	110.2	L53 I433 R434	L53-S409 WeakPolarHBondContact O-CA 3.5Å; L53-S409 VanDerWaalsContact O-CB 3.3Å; L53-S409 WeakPolarHBondContact O-CB 3.26Å; S409-I433 WeakPolarHBondContact O-CA 3.35Å; S409-R434 PolarHBondContact N-O 3.26Å; S409-R434 PolarHBondContact O-N 2.93Å; S409-R434 VanDerWaalsContact O-O 3.06Å
410	W	94.1	Very high	91.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.3	163.4	73.9	-78.9	0	0	0	110.6	V51 P412 T432 I433 L448 S449 T450 F631 I651 L687	V51-W410 HydrophobicContact CG1-CB 4.24Å; V51-W410 HydrophobicContact CG1-CG 4.43Å; V51-W410 PolarHBondContact O-NE1 3.02Å; W410-P412 HydrophobicContact CZ3-CB 4.24Å; W410-T432 CarbonylContact C-O 3.59Å; W410-T432 VanDerWaalsContact CA-O 3.24Å; W410-T432 WeakPolarHBondContact CA-O 3.19Å; W410-I433 HydrophobicContact CB-CG1 4.21Å; W410-L448 HydrophobicContact CB-CD2 4.46Å; W410-L448 HydrophobicContact CD2-CB 3.99Å; W410-L448 HydrophobicContact CD2-CD1 3.99Å; W410-L448 HydrophobicContact CD2-CG 4.44Å; W410-L448 HydrophobicContact CE3-CB 4.43Å; W410-L448 HydrophobicContact CE3-CD1 3.81Å; W410-L448 HydrophobicContact CG-CB 4.36Å; W410-L448 HydrophobicContact CG-CD1 4.38Å; W410-L448 HydrophobicContact CG-CD2 4.32Å; W410-L448 HydrophobicContact CH2-CB 4.41Å; W410-L448 HydrophobicContact CZ2-CB 4Å; W410-L448 HydrophobicContact CZ3-CD1 4.21Å; W410-S449 PolarHBondContact NE1-O 2.86Å; W410-T450 HydrophobicContact CH2-CG2 4.26Å; W410-T450 HydrophobicContact CZ2-CG2 3.76Å; W410-F631 AromaticContact CH2-CD2 3.87Å; W410-F631 HydrophobicContact CH2-CD2 3.87Å; W410-F631 AromaticContact CH2-CE2 3.76Å; W410-F631 HydrophobicContact CH2-CE2 3.76Å; W410-F631 HydrophobicContact CZ2-CD2 4.16Å; W410-F631 HydrophobicContact CZ2-CE2 4.18Å; W410-I651 HydrophobicContact CH2-CD1 4.49Å; W410-I651 HydrophobicContact CZ3-CD1 4.03Å; W410-L687 HydrophobicContact CH2-CD1 3.5Å; W410-L687 VanDerWaalsContact CH2-CD1 3.5Å; W410-L687 HydrophobicContact CZ2-CD1 4.2Å; W410-L687 HydrophobicContact CZ3-CD1 4.22Å
411	T	94.7	Very high	91.4	Very high	80 Å²	80	33.8 Å²	33.8	49%	0.491	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.1	177.9	53.3	0	0	0	0	111.2	T432	T411-T432 PolarHBondContact N-O 3.32Å; T411-T432 PolarHBondContact O-N 3.13Å
412	P	95.8	Very high	91.6	Very high	24 Å²	24	37.7 Å²	37.7	16%	0.156	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.5	175.5	29.9	-36.4	0	0	0	111	W410 Y414 Y429 L687 E688	W410-P412 HydrophobicContact CZ3-CB 4.24Å; P412-Y414 HydrophobicContact CB-CE2 4.3Å; P412-Y429 HydrophobicContact CB-CE2 3.88Å; P412-L687 HydrophobicContact CB-CB 3.87Å; P412-L687 HydrophobicContact CB-CD1 4.34Å; P412-L687 HydrophobicContact CG-CB 3.81Å; P412-L687 HydrophobicContact CG-CD1 4.33Å; P412-E688 VanDerWaalsContact CG-O 3.24Å; P412-E688 WeakPolarHBondContact CG-O 3.47Å
413	S	96.6	Very high	91.7	Very high	22 Å²	22	38.4 Å²	38.4	15%	0.154	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.7	176.2	58.4	0	0	0	0	111.2	Y430 T432 Q690	S413-Y430 PolarHBondContact N-O 3.17Å; S413-Y430 WeakPolarHBondContact O-CA 3.16Å; S413-Y430 WeakPolarHBondContact O-CB 3.38Å; S413-Y430 PolarHBondContact O-N 3.02Å; S413-Y430 VanDerWaalsContact O-O 3.11Å; S413-T432 PolarHBondContact OG-OG1 3.46Å; S413-T432 VanDerWaalsContact OG-OG1 3.04Å; S413-Q690 CarbonylContact C-O 3.54Å; S413-Q690 WeakPolarHBondContact CA-O 3.14Å
414	Y	98	Very high	92.1	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.7	-168.6	-57.1	-86.6	0	0	0	113	P412 I427 I428 Y429 L687 Q690 A691 S692 L705	P412-Y414 HydrophobicContact CB-CE2 4.3Å; Y414-I427 HydrophobicContact CD1-CG2 3.63Å; Y414-I427 HydrophobicContact CE1-CG2 4.4Å; Y414-I427 HydrophobicContact CG-CG2 4.42Å; Y414-I428 VanDerWaalsContact CA-O 3.31Å; Y414-I428 WeakPolarHBondContact CA-O 3.44Å; Y414-Y429 AromaticContact CD1-CD2 3.81Å; Y414-Y429 HydrophobicContact CD1-CD2 3.81Å; Y414-Y429 HydrophobicContact CD1-CG 4.17Å; Y414-Y429 HydrophobicContact CE1-CD1 4.25Å; Y414-Y429 AromaticContact CE1-CD2 3.09Å; Y414-Y429 HydrophobicContact CE1-CD2 3.09Å; Y414-Y429 AromaticContact CE1-CE2 3.58Å; Y414-Y429 HydrophobicContact CE1-CE2 3.58Å; Y414-Y429 AromaticContact CE1-CG 3.5Å; Y414-Y429 HydrophobicContact CE1-CG 3.5Å; Y414-Y429 VanDerWaalsContact CE1-CG 3.5Å; Y414-Y429 HydrophobicContact CE2-CE2 4.45Å; Y414-Y429 AromaticContact CZ-CD2 3.5Å; Y414-Y429 VanDerWaalsContact CZ-CD2 3.5Å; Y414-Y429 AromaticContact CZ-CE2 3.46Å; Y414-Y429 VanDerWaalsContact CZ-CE2 3.46Å; Y414-Y429 WeakPolarHBondContact OH-CE2 3.39Å; Y414-L687 PolarHBondContact OH-N 3.1Å; Y414-L687 VanDerWaalsContact OH-N 3.08Å; Y414-L687 PolarHBondContact OH-O 3.1Å; Y414-Q690 PolarHBondContact N-O 2.85Å; Y414-A691 CarbonylContact O-C 3.58Å; Y414-A691 VanDerWaalsContact O-CA 3.31Å; Y414-A691 WeakPolarHBondContact O-CA 3.27Å; Y414-S692 PolarHBondContact O-N 2.8Å; Y414-L705 HydrophobicContact CD1-CD2 3.85Å; Y414-L705 HydrophobicContact CD2-CB 4.05Å; Y414-L705 HydrophobicContact CD2-CD2 3.91Å; Y414-L705 HydrophobicContact CE1-CD2 3.72Å; Y414-L705 HydrophobicContact CE2-CB 4.16Å; Y414-L705 HydrophobicContact CE2-CD2 3.82Å; Y414-L705 HydrophobicContact CG-CD2 3.95Å
415	D	98	Very high	92.6	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.2	156	-85.3	28.5	0	0	0	107.6	R417 I427 I428 Y430 R648 S692 Y694	D415-R417 IonicContact OD2-CZ 3.31Å; D415-R417 IonicContact OD2-NE 2.73Å; D415-R417 IonicContact OD2-NH2 3.86Å; D415-R417 PolarHBondContact OD2-NH2 3.27Å; D415-I427 WeakPolarHBondContact O-CA 3.45Å; D415-I428 HydrophobicContact CB-CB 4.19Å; D415-I428 HydrophobicContact CB-CD1 4.23Å; D415-I428 HydrophobicContact CB-CG1 4.4Å; D415-I428 PolarHBondContact N-O 3.33Å; D415-I428 PolarHBondContact O-N 3.07Å; D415-Y430 HydrophobicContact CB-CE2 4.01Å; D415-R648 IonicContact OD1-NH1 3.36Å; D415-R648 PolarHBondContact OD1-NH1 2.86Å; D415-S692 CarbonylContact C-O 3.46Å; D415-S692 WeakPolarHBondContact CA-O 3.48Å; D415-Y694 HydrophobicContact CB-CE2 4.28Å
416	I	98	Very high	93.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.8	173.8	-61.5	173.9	0	0	0	108	L425 I427 A691 S692 V693 Y694 T703 C716 L718	I416-L425 HydrophobicContact CG2-CD1 3.91Å; I416-L425 HydrophobicContact CG2-CD2 4.05Å; I416-L425 HydrophobicContact CG2-CG 4.02Å; I416-I427 HydrophobicContact CG1-CG1 4.33Å; I416-I427 HydrophobicContact CG1-CG2 4.49Å; I416-A691 HydrophobicContact CD1-CB 3.6Å; I416-A691 HydrophobicContact CG1-CB 4.02Å; I416-S692 PolarHBondContact N-O 2.81Å; I416-V693 CarbonylContact O-C 3.58Å; I416-V693 WeakPolarHBondContact O-CA 3.45Å; I416-Y694 PolarHBondContact O-N 2.82Å; I416-T703 HydrophobicContact CD1-CG2 4.31Å; I416-C716 HydrophobicContact CD1-CB 4.3Å; I416-L718 HydrophobicContact CG2-CD2 3.71Å
417	R	97.6	Very high	93.8	Very high	72 Å²	72	39.9 Å²	39.9	27%	0.272	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.3	-177.5	-56.3	-173.4	171.6	-109.1	-10.7	110.4	D415 L425 K426 Y694	D415-R417 IonicContact OD2-CZ 3.31Å; D415-R417 IonicContact OD2-NE 2.73Å; D415-R417 IonicContact OD2-NH2 3.86Å; D415-R417 PolarHBondContact OD2-NH2 3.27Å; R417-L425 WeakPolarHBondContact O-CA 3.3Å; R417-K426 HydrophobicContact CB-CB 4.4Å; R417-K426 PolarHBondContact N-O 3.31Å; R417-K426 PolarHBondContact O-N 3.48Å; R417-Y694 WeakPolarHBondContact CA-O 3.17Å; R417-Y694 HydrophobicContact CG-CD2 4Å; R417-Y694 HydrophobicContact CG-CG 4.36Å
418	L	97.2	Very high	94.6	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.2	171.4	-178.8	71.7	0	0	0	110	L425 P658 L660 L674 Y694 I695 D696 L718	L418-L425 HydrophobicContact CD1-CB 4.16Å; L418-L425 HydrophobicContact CD1-CD1 4.47Å; L418-P658 HydrophobicContact CD1-CG 4.43Å; L418-L660 HydrophobicContact CD1-CD1 4.25Å; L418-L660 HydrophobicContact CD1-CD2 4.18Å; L418-L660 HydrophobicContact CD2-CD1 4.26Å; L418-L660 HydrophobicContact CD2-CD2 4.37Å; L418-L674 HydrophobicContact CD2-CD2 3.69Å; L418-Y694 PolarHBondContact N-O 2.88Å; L418-I695 HydrophobicContact CB-CG1 4.26Å; L418-I695 HydrophobicContact CD2-CG1 4.37Å; L418-I695 HydrophobicContact CD2-CG2 4.39Å; L418-D696 PolarHBondContact O-N 2.93Å; L418-L718 HydrophobicContact CB-CD1 4.19Å; L418-L718 HydrophobicContact CD2-CD1 3.8Å; L418-L718 HydrophobicContact CG-CD1 4.39Å
419	S	95.5	Very high	95.1	Very high	34 Å²	34	35.1 Å²	35.1	24%	0.238	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.8	163.4	175.6	0	0	0	0	109.4	S421 T422 A423 T424 D696	S419-S421 PolarHBondContact OG-OG 3.43Å; S419-T422 VanDerWaalsContact CB-OG1 3.29Å; S419-T422 WeakPolarHBondContact CB-OG1 3.4Å; S419-T422 PolarHBondContact OG-OG1 3.38Å; S419-T422 VanDerWaalsContact OG-OG1 3.05Å; S419-A423 WeakPolarHBondContact O-CA 3.18Å; S419-A423 PolarHBondContact O-N 3.29Å; S419-T424 PolarHBondContact N-O 3.3Å; S419-D696 WeakPolarHBondContact CA-OD1 3.35Å
420	S	87	Confident	95.5	Very high	61 Å²	61	34.2 Å²	34.2	43%	0.427	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-27.8	-176.5	68.6	0	0	0	0	113.2	D696	S420-D696 WeakPolarHBondContact CB-OD2 3.4Å; S420-D696 PolarHBondContact N-OD1 2.95Å; S420-D696 VanDerWaalsContact OG-CG 3.26Å; S420-D696 PolarHBondContact OG-OD1 2.78Å; S420-D696 PolarHBondContact OG-OD2 2.9Å
421	S	88.7	Confident	95.5	Very high	104 Å²	104	34 Å²	34	73%	0.727	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-34.1	179.7	57.4	0	0	0	0	113.6	S419	S419-S421 PolarHBondContact OG-OG 3.43Å
422	T	92.3	Very high	95.6	Very high	87 Å²	87	31.4 Å²	31.4	53%	0.534	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-9.6	-180	56.2	0	0	0	0	113.4	S419 T424	S419-T422 VanDerWaalsContact CB-OG1 3.29Å; S419-T422 WeakPolarHBondContact CB-OG1 3.4Å; S419-T422 PolarHBondContact OG-OG1 3.38Å; S419-T422 VanDerWaalsContact OG-OG1 3.05Å; T422-T424 PolarHBondContact O-N 3.33Å; T422-T424 PolarHBondContact OG1-OG1 3.45Å
423	A	90.2	Very high	95.5	Very high	46 Å²	46	30.2 Å²	30.2	38%	0.38	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	33.5	-171.4	0	0	0	0	0	113.3	S419	S419-A423 WeakPolarHBondContact O-CA 3.18Å; S419-A423 PolarHBondContact O-N 3.29Å
424	T	96	Very high	95.3	Very high	48 Å²	48	35 Å²	35	29%	0.294	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.2	173.2	61.7	0	0	0	0	110.8	S419 T422	S419-T424 PolarHBondContact N-O 3.3Å; T422-T424 PolarHBondContact O-N 3.33Å; T422-T424 PolarHBondContact OG1-OG1 3.45Å
425	L	97.2	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.7	175.7	-178.3	151.3	0	0	0	109.3	I416 R417 L418 I427 F656 P658 A676 M678 L718	I416-L425 HydrophobicContact CG2-CD1 3.91Å; I416-L425 HydrophobicContact CG2-CD2 4.05Å; I416-L425 HydrophobicContact CG2-CG 4.02Å; R417-L425 WeakPolarHBondContact O-CA 3.3Å; L418-L425 HydrophobicContact CD1-CB 4.16Å; L418-L425 HydrophobicContact CD1-CD1 4.47Å; L425-I427 HydrophobicContact CD2-CD1 3.97Å; L425-I427 HydrophobicContact CD2-CG1 3.47Å; L425-I427 VanDerWaalsContact CD2-CG1 3.47Å; L425-F656 HydrophobicContact CD2-CD2 4.27Å; L425-F656 PolarHBondContact N-O 2.88Å; L425-F656 PolarHBondContact O-N 2.83Å; L425-P658 HydrophobicContact CB-CG 3.75Å; L425-P658 HydrophobicContact CD1-CG 4.35Å; L425-A676 HydrophobicContact CD1-CB 3.78Å; L425-M678 HydrophobicContact CD1-CE 4.16Å; L425-M678 HydrophobicContact CD2-CE 4.19Å; L425-M678 HydrophobicContact CD2-SD 3.95Å; L425-L718 HydrophobicContact CD1-CD1 4.01Å; L425-L718 HydrophobicContact CD1-CD2 4.02Å
426	K	97.5	Very high	94	Very high	70 Å²	70	38.6 Å²	38.6	30%	0.304	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.2	-178	-177.7	173.3	-169	127.1	0	109.2	R417 I653 L654 E655	R417-K426 HydrophobicContact CB-CB 4.4Å; R417-K426 PolarHBondContact N-O 3.31Å; R417-K426 PolarHBondContact O-N 3.48Å; K426-I653 HydrophobicContact CD-CG2 4.41Å; K426-I653 HydrophobicContact CG-CG2 4.28Å; K426-L654 CarbonylContact C-O 3.56Å; K426-L654 WeakPolarHBondContact CA-O 3.31Å; K426-E655 HydrophobicContact CB-CG 4.47Å; K426-E655 HydrophobicContact CG-CG 4.19Å; K426-E655 IonicContact NZ-OE1 3.19Å; K426-E655 PolarHBondContact NZ-OE1 3.02Å
427	I	97.7	Very high	93.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.6	171.8	-53.4	-172	0	0	0	107.5	Y414 D415 I416 L425 L654 F656 F714	Y414-I427 HydrophobicContact CD1-CG2 3.63Å; Y414-I427 HydrophobicContact CE1-CG2 4.4Å; Y414-I427 HydrophobicContact CG-CG2 4.42Å; D415-I427 WeakPolarHBondContact O-CA 3.45Å; I416-I427 HydrophobicContact CG1-CG1 4.33Å; I416-I427 HydrophobicContact CG1-CG2 4.49Å; L425-I427 HydrophobicContact CD2-CD1 3.97Å; L425-I427 HydrophobicContact CD2-CG1 3.47Å; L425-I427 VanDerWaalsContact CD2-CG1 3.47Å; I427-L654 HydrophobicContact CB-CB 4.38Å; I427-L654 PolarHBondContact N-O 3.31Å; I427-L654 PolarHBondContact O-N 2.84Å; I427-F656 HydrophobicContact CB-CE2 4.23Å; I427-F656 HydrophobicContact CD1-CD2 4.13Å; I427-F656 HydrophobicContact CD1-CE2 3.76Å; I427-F656 HydrophobicContact CG1-CD2 4.06Å; I427-F656 HydrophobicContact CG1-CE2 3.89Å; I427-F714 HydrophobicContact CD1-CE2 3.81Å; I427-F714 HydrophobicContact CD1-CZ 3.91Å
428	I	97.6	Very high	91.8	Very high	21 Å²	21	37.6 Å²	37.6	11%	0.108	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.6	167.4	-46.9	172.9	0	0	0	106.7	Y414 D415 Y430 T650 I653	Y414-I428 VanDerWaalsContact CA-O 3.31Å; Y414-I428 WeakPolarHBondContact CA-O 3.44Å; D415-I428 HydrophobicContact CB-CB 4.19Å; D415-I428 HydrophobicContact CB-CD1 4.23Å; D415-I428 HydrophobicContact CB-CG1 4.4Å; D415-I428 PolarHBondContact N-O 3.33Å; D415-I428 PolarHBondContact O-N 3.07Å; I428-Y430 HydrophobicContact CB-CE2 3.92Å; I428-Y430 HydrophobicContact CG2-CD1 4.27Å; I428-Y430 HydrophobicContact CG2-CD2 4.34Å; I428-Y430 HydrophobicContact CG2-CE1 3.62Å; I428-Y430 HydrophobicContact CG2-CE2 3.72Å; I428-Y430 WeakPolarHBondContact CG2-OH 3.47Å; I428-T650 HydrophobicContact CG2-CG2 4.05Å; I428-I653 HydrophobicContact CG2-CG1 4.2Å
429	Y	97.4	Very high	90.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.7	-179.2	-175.4	-169.7	0	0	0	109.2	P412 Y414 F631 I651 G652 L687	P412-Y429 HydrophobicContact CB-CE2 3.88Å; Y414-Y429 AromaticContact CD1-CD2 3.81Å; Y414-Y429 HydrophobicContact CD1-CD2 3.81Å; Y414-Y429 HydrophobicContact CD1-CG 4.17Å; Y414-Y429 HydrophobicContact CE1-CD1 4.25Å; Y414-Y429 AromaticContact CE1-CD2 3.09Å; Y414-Y429 HydrophobicContact CE1-CD2 3.09Å; Y414-Y429 AromaticContact CE1-CE2 3.58Å; Y414-Y429 HydrophobicContact CE1-CE2 3.58Å; Y414-Y429 AromaticContact CE1-CG 3.5Å; Y414-Y429 HydrophobicContact CE1-CG 3.5Å; Y414-Y429 VanDerWaalsContact CE1-CG 3.5Å; Y414-Y429 HydrophobicContact CE2-CE2 4.45Å; Y414-Y429 AromaticContact CZ-CD2 3.5Å; Y414-Y429 VanDerWaalsContact CZ-CD2 3.5Å; Y414-Y429 AromaticContact CZ-CE2 3.46Å; Y414-Y429 VanDerWaalsContact CZ-CE2 3.46Å; Y414-Y429 WeakPolarHBondContact OH-CE2 3.39Å; Y429-F631 HydrophobicContact CE1-CD1 4.45Å; Y429-F631 AromaticContact CE1-CE1 3.86Å; Y429-F631 HydrophobicContact CE1-CE1 3.86Å; Y429-F631 HydrophobicContact CE1-CZ 4.22Å; Y429-I651 HydrophobicContact CD1-CB 4.09Å; Y429-I651 HydrophobicContact CD1-CD1 4.36Å; Y429-I651 HydrophobicContact CD1-CG2 3.74Å; Y429-I651 HydrophobicContact CD2-CD1 3.95Å; Y429-I651 HydrophobicContact CE1-CD1 4.12Å; Y429-I651 HydrophobicContact CE1-CG2 3.97Å; Y429-I651 HydrophobicContact CE2-CD1 3.64Å; Y429-I651 HydrophobicContact CG-CB 4.1Å; Y429-I651 HydrophobicContact CG-CD1 4.29Å; Y429-I651 HydrophobicContact CG-CG2 4.28Å; Y429-I651 PolarHBondContact O-N 3.15Å; Y429-G652 PolarHBondContact N-O 2.87Å; Y429-G652 PolarHBondContact O-N 2.86Å; Y429-L687 WeakPolarHBondContact OH-CD1 3.49Å; Y429-L687 VanDerWaalsContact OH-CG 3.31Å; Y429-L687 WeakPolarHBondContact OH-CG 3.41Å
430	Y	97.6	Very high	90.3	Very high	26 Å²	26	40.7 Å²	40.7	10%	0.102	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.6	179.1	-55.3	-79.1	0	0	0	112.3	S413 D415 I428 R648 V649 T650	S413-Y430 PolarHBondContact N-O 3.17Å; S413-Y430 WeakPolarHBondContact O-CA 3.16Å; S413-Y430 WeakPolarHBondContact O-CB 3.38Å; S413-Y430 PolarHBondContact O-N 3.02Å; S413-Y430 VanDerWaalsContact O-O 3.11Å; D415-Y430 HydrophobicContact CB-CE2 4.01Å; I428-Y430 HydrophobicContact CB-CE2 3.92Å; I428-Y430 HydrophobicContact CG2-CD1 4.27Å; I428-Y430 HydrophobicContact CG2-CD2 4.34Å; I428-Y430 HydrophobicContact CG2-CE1 3.62Å; I428-Y430 HydrophobicContact CG2-CE2 3.72Å; I428-Y430 WeakPolarHBondContact CG2-OH 3.47Å; Y430-R648 HydrophobicContact CD1-CG 3.71Å; Y430-R648 HydrophobicContact CD2-CG 4.45Å; Y430-R648 HydrophobicContact CE1-CG 4.46Å; Y430-R648 HydrophobicContact CG-CG 3.7Å; Y430-V649 CarbonylContact C-O 3.59Å; Y430-V649 WeakPolarHBondContact CA-O 3Å; Y430-V649 WeakPolarHBondContact CB-O 3.31Å; Y430-T650 WeakPolarHBondContact CE1-OG1 3.24Å
431	G	95.7	Very high	90.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.5	156.7	0	0	0	0	0	109.5	R648 V649	G431-R648 WeakPolarHBondContact O-CA 3.49Å; G431-V649 PolarHBondContact N-O 2.99Å; G431-V649 WeakPolarHBondContact O-CG2 3.42Å; G431-V649 PolarHBondContact O-N 2.94Å
432	T	95.5	Very high	90.2	Very high	25 Å²	25	37.9 Å²	37.9	15%	0.153	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	103	172.1	-58.8	0	0	0	0	108.4	W410 T411 S413 P646	W410-T432 CarbonylContact C-O 3.59Å; W410-T432 VanDerWaalsContact CA-O 3.24Å; W410-T432 WeakPolarHBondContact CA-O 3.19Å; T411-T432 PolarHBondContact N-O 3.32Å; T411-T432 PolarHBondContact O-N 3.13Å; S413-T432 PolarHBondContact OG-OG1 3.46Å; S413-T432 VanDerWaalsContact OG-OG1 3.04Å; T432-P646 HydrophobicContact CG2-CB 3.77Å
433	I	94.8	Very high	89.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.3	-178.7	-56.2	162.3	0	0	0	108.8	V51 S409 W410 L446 L448 I640 P646 Q647 V649	V51-I433 HydrophobicContact CG1-CG2 4.49Å; S409-I433 WeakPolarHBondContact O-CA 3.35Å; W410-I433 HydrophobicContact CB-CG1 4.21Å; I433-L446 HydrophobicContact CD1-CD1 4.47Å; I433-L446 HydrophobicContact CD1-CD2 3.78Å; I433-L448 HydrophobicContact CD1-CD2 3.85Å; I433-L448 HydrophobicContact CG1-CD2 3.84Å; I433-I640 HydrophobicContact CD1-CD1 3.58Å; I433-I640 HydrophobicContact CG2-CD1 4.43Å; I433-P646 CarbonylContact O-C 3.59Å; I433-P646 WeakPolarHBondContact O-CA 3.5Å; I433-Q647 PolarHBondContact N-O 3.18Å; I433-Q647 PolarHBondContact O-N 3.04Å; I433-V649 HydrophobicContact CD1-CG1 3.94Å; I433-V649 HydrophobicContact CD1-CG2 3.86Å; I433-V649 HydrophobicContact CG1-CG2 4.4Å
434	R	91.7	Very high	88.6	Confident	121 Å²	121	35.8 Å²	35.8	46%	0.457	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.6	162.9	-73.4	-177.5	179.4	-85.6	5.3	107.5	V408 S409 G644 P646	V408-R434 WeakPolarHBondContact CA-O 3.46Å; S409-R434 PolarHBondContact N-O 3.26Å; S409-R434 PolarHBondContact O-N 2.93Å; S409-R434 VanDerWaalsContact O-O 3.06Å; R434-G644 PolarHBondContact NH1-O 3.07Å; R434-P646 HydrophobicContact CG-CB 4.09Å
435	Q	86.3	Confident	88.4	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.9	-179.6	82.1	89.2	35.7	0	0	108.8	V408 T437 E439 W441 I640 K641 G644	V408-Q435 HydrophobicContact CB-CB 4.31Å; V408-Q435 HydrophobicContact CG1-CB 3.75Å; V408-Q435 HydrophobicContact CG2-CB 4Å; Q435-T437 PolarHBondContact OE1-OG1 2.93Å; Q435-E439 PolarHBondContact NE2-O 3.16Å; Q435-W441 HydrophobicContact CB-CH2 3.8Å; Q435-W441 HydrophobicContact CB-CZ2 4.26Å; Q435-W441 HydrophobicContact CB-CZ3 4.04Å; Q435-W441 HydrophobicContact CG-CD2 4.36Å; Q435-W441 HydrophobicContact CG-CE3 4.1Å; Q435-W441 HydrophobicContact CG-CH2 3.99Å; Q435-W441 HydrophobicContact CG-CZ2 4.23Å; Q435-W441 HydrophobicContact CG-CZ3 3.9Å; Q435-I640 HydrophobicContact CG-CG2 3.64Å; Q435-K641 PolarHBondContact NE2-O 3.46Å; Q435-G644 WeakPolarHBondContact O-CA 3.3Å; Q435-G644 PolarHBondContact O-N 3.02Å
436	N	83.5	Confident	88.3	Confident	86 Å²	86	37.6 Å²	37.6	46%	0.46	21%	0.205	S	C	.	.			trans	-127	47	-173.6	-161.8	91.6	0	0	0	110.3	H407 G642 G644	H407-N436 HydrophobicContact CB-CB 4.42Å; H407-N436 PolarHBondContact O-N 2.91Å; N436-G642 WeakPolarHBondContact CA-O 3.47Å; N436-G644 PolarHBondContact OD1-N 2.99Å
437	T	77.8	Confident	88.2	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.025	20%	0.196	C	C	.	.	S	Bend	trans	-85.8	-9.9	-177.5	64.4	0	0	0	0	113	V405 V408 Q435 E439 W441	V405-T437 HydrophobicContact CB-CG2 3.98Å; V405-T437 HydrophobicContact CG2-CG2 3.76Å; V408-T437 HydrophobicContact CG2-CG2 3.79Å; Q435-T437 PolarHBondContact OE1-OG1 2.93Å; T437-E439 PolarHBondContact O-N 3.25Å; T437-E439 PolarHBondContact OG1-N 2.8Å; T437-E439 VanDerWaalsContact OG1-N 3.12Å; T437-W441 HydrophobicContact CG2-CZ2 4.09Å
438	G	69.9	Low	88	Confident	46 Å²	46	35.2 Å²	35.2	47%	0.474	20%	0.196	S	C	.	.	S	Bend	trans	77.6	-12.8	-167.6	0	0	0	0	0	114.3	G642	G438-G642 PolarHBondContact N-O 3.09Å; G438-G642 VanDerWaalsContact N-O 3.14Å
439	E	78.9	Confident	87.8	Confident	31 Å²	31	34.4 Å²	34.4	15%	0.145	19%	0.193	C	C	.	.			trans	-93.2	134.9	178.4	-172.1	-178.5	158.4	0	0	112	L46 R60 P80 Q435 T437 G642	L46-E439 VanDerWaalsContact CD1-OE1 3.28Å; L46-E439 WeakPolarHBondContact CD1-OE1 3.43Å; R60-E439 IonicContact CZ-OE1 2.99Å; R60-E439 IonicContact CZ-OE2 3.38Å; R60-E439 IonicContact NE-OE1 3.77Å; R60-E439 IonicContact NH2-OE1 3.87Å; R60-E439 PolarHBondContact NH2-OE1 3.05Å; R60-E439 IonicContact NH2-OE2 3Å; R60-E439 PolarHBondContact NH2-OE2 2.96Å; P80-E439 HydrophobicContact CG-CB 4.25Å; P80-E439 WeakPolarHBondContact CG-OE2 3.3Å; Q435-E439 PolarHBondContact NE2-O 3.16Å; T437-E439 PolarHBondContact O-N 3.25Å; T437-E439 PolarHBondContact OG1-N 2.8Å; T437-E439 VanDerWaalsContact OG1-N 3.12Å; E439-G642 VanDerWaalsContact O-CA 3.27Å; E439-G642 WeakPolarHBondContact O-CA 3.23Å; E439-G642 PolarHBondContact O-N 2.95Å
440	D	83.2	Confident	87.4	Confident	77 Å²	77	35.7 Å²	35.7	41%	0.412	20%	0.201	S	C	.	.			trans	-83	113.2	165.4	-76.7	-8.3	0	0	0	109.8	I640 K641 G642	D440-I640 CarbonylContact C-O 3.59Å; D440-I640 WeakPolarHBondContact CA-O 3.3Å; D440-K641 HydrophobicContact CB-CD 4.27Å; D440-K641 VanDerWaalsContact OD1-CA 3.25Å; D440-K641 WeakPolarHBondContact OD1-CA 3.46Å; D440-K641 WeakPolarHBondContact OD1-CD 3.48Å; D440-K641 WeakPolarHBondContact OD2-CD 3.36Å; D440-K641 WeakPolarHBondContact OD2-CE 3.16Å; D440-K641 IonicContact OD2-NZ 3.83Å; D440-K641 PolarHBondContact OD2-NZ 3.26Å; D440-G642 PolarHBondContact OD1-N 3.14Å
441	W	88.2	Confident	86.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-84.5	125.1	177.8	-57.2	-23.2	0	0	0	110.7	V49 V51 A56 I58 V405 V408 Q435 T437 F443 S639 I640	V49-W441 HydrophobicContact CG1-CE3 4.12Å; V49-W441 HydrophobicContact CG1-CH2 3.9Å; V49-W441 HydrophobicContact CG1-CZ2 4.37Å; V49-W441 HydrophobicContact CG1-CZ3 3.79Å; V49-W441 HydrophobicContact CG2-CD2 4.32Å; V49-W441 HydrophobicContact CG2-CE3 4.31Å; V51-W441 HydrophobicContact CG2-CH2 4.2Å; V51-W441 HydrophobicContact CG2-CZ3 3.85Å; A56-W441 HydrophobicContact CB-CH2 3.71Å; A56-W441 HydrophobicContact CB-CZ2 4.11Å; I58-W441 HydrophobicContact CD1-CZ2 3.96Å; I58-W441 HydrophobicContact CG1-CZ2 4.44Å; V405-W441 HydrophobicContact CG2-CZ2 4.19Å; V408-W441 HydrophobicContact CB-CH2 4.44Å; V408-W441 HydrophobicContact CG1-CH2 3.78Å; V408-W441 HydrophobicContact CG1-CZ3 4.43Å; V408-W441 HydrophobicContact CG2-CH2 3.79Å; V408-W441 HydrophobicContact CG2-CZ2 4Å; Q435-W441 HydrophobicContact CB-CH2 3.8Å; Q435-W441 HydrophobicContact CB-CZ2 4.26Å; Q435-W441 HydrophobicContact CB-CZ3 4.04Å; Q435-W441 HydrophobicContact CG-CD2 4.36Å; Q435-W441 HydrophobicContact CG-CE3 4.1Å; Q435-W441 HydrophobicContact CG-CH2 3.99Å; Q435-W441 HydrophobicContact CG-CZ2 4.23Å; Q435-W441 HydrophobicContact CG-CZ3 3.9Å; T437-W441 HydrophobicContact CG2-CZ2 4.09Å; W441-F443 HydrophobicContact CB-CD1 3.64Å; W441-F443 HydrophobicContact CB-CE1 3.62Å; W441-F443 VanDerWaalsContact O-CE1 3.32Å; W441-F443 WeakPolarHBondContact O-CE1 3.21Å; W441-S639 CarbonylContact O-C 3.59Å; W441-S639 WeakPolarHBondContact O-CA 3.48Å; W441-S639 PolarHBondContact O-OG 3.49Å; W441-I640 HydrophobicContact CE3-CB 4.38Å; W441-I640 HydrophobicContact CE3-CD1 4.48Å; W441-I640 HydrophobicContact CE3-CG2 4.41Å; W441-I640 PolarHBondContact N-O 2.79Å; W441-I640 PolarHBondContact O-N 3.48Å
442	E	85.6	Confident	85.2	Confident	106 Å²	106	40.3 Å²	40.3	50%	0.495	23%	0.228	S	C	.	.			trans	-121	122	167.6	-54	-155.9	152.8	0	0	108.6
443	F	74.7	Confident	83.4	Confident	23 Å²	23	44 Å²	44	10%	0.101	24%	0.243	C	C	.	.			trans	-146	151.5	-161.8	39.8	-88.9	0	0	0	114.9	L46 W441 L446 P636 P637 I640	L46-F443 HydrophobicContact CD2-CB 3.71Å; L46-F443 HydrophobicContact CD2-CD1 4.24Å; L46-F443 HydrophobicContact CD2-CG 4.44Å; W441-F443 HydrophobicContact CB-CD1 3.64Å; W441-F443 HydrophobicContact CB-CE1 3.62Å; W441-F443 VanDerWaalsContact O-CE1 3.32Å; W441-F443 WeakPolarHBondContact O-CE1 3.21Å; F443-L446 HydrophobicContact CD2-CB 3.85Å; F443-L446 HydrophobicContact CE2-CB 3.67Å; F443-L446 HydrophobicContact CE2-CD1 4.47Å; F443-L446 HydrophobicContact CE2-CD2 3.71Å; F443-L446 HydrophobicContact CE2-CG 4.16Å; F443-L446 HydrophobicContact CZ-CD2 4.05Å; F443-P636 HydrophobicContact CD2-CB 3.58Å; F443-P636 HydrophobicContact CD2-CG 4.42Å; F443-P636 HydrophobicContact CE2-CB 3.37Å; F443-P637 HydrophobicContact CE2-CG 4.37Å; F443-P637 HydrophobicContact CZ-CG 4.05Å; F443-I640 HydrophobicContact CE1-CB 4.23Å; F443-I640 HydrophobicContact CE1-CD1 4.01Å; F443-I640 HydrophobicContact CE1-CG1 4.03Å; F443-I640 HydrophobicContact CZ-CB 4.43Å; F443-I640 HydrophobicContact CZ-CD1 3.51Å; F443-I640 HydrophobicContact CZ-CG1 3.73Å
444	G	74.6	Confident	81.3	Confident	67 Å²	67	46.7 Å²	46.7	69%	0.691	26%	0.258	S	S	*	.	S	Bend	trans	-84.8	-32.6	169	0	0	0	0	0	114.1
445	K	91.6	Very high	79	Confident	85 Å²	85	48.3 Å²	48.3	37%	0.37	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.9	-179.2	179.3	167.6	179.3	137.9	0	112.1	K47 S48 V49 E632	K47-K445 PolarHBondContact O-N 2.88Å; S48-K445 VanDerWaalsContact CA-O 3.31Å; S48-K445 WeakPolarHBondContact CA-O 3.39Å; V49-K445 PolarHBondContact N-O 3.34Å; V49-K445 VanDerWaalsContact N-O 3.16Å; K445-E632 VanDerWaalsContact CE-CD 3.41Å; K445-E632 WeakPolarHBondContact CE-OE1 3.49Å; K445-E632 WeakPolarHBondContact CE-OE2 2.96Å; K445-E632 IonicContact NZ-OE1 3.66Å; K445-E632 PolarHBondContact NZ-OE1 3.37Å; K445-E632 IonicContact NZ-OE2 2.75Å; K445-E632 PolarHBondContact NZ-OE2 3.41Å
446	L	95	Very high	77.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.5	175.6	174.6	65	0	0	0	109	V49 V51 I433 F443 I633 P636 I640 V649	V49-L446 HydrophobicContact CB-CD1 4.1Å; V49-L446 CarbonylContact O-C 3.53Å; V49-L446 WeakPolarHBondContact O-CA 3.27Å; V51-L446 HydrophobicContact CG2-CD1 3.94Å; I433-L446 HydrophobicContact CD1-CD1 4.47Å; I433-L446 HydrophobicContact CD1-CD2 3.78Å; F443-L446 HydrophobicContact CD2-CB 3.85Å; F443-L446 HydrophobicContact CE2-CB 3.67Å; F443-L446 HydrophobicContact CE2-CD1 4.47Å; F443-L446 HydrophobicContact CE2-CD2 3.71Å; F443-L446 HydrophobicContact CE2-CG 4.16Å; F443-L446 HydrophobicContact CZ-CD2 4.05Å; L446-I633 HydrophobicContact CB-CB 4.22Å; L446-I633 HydrophobicContact CB-CG1 4.36Å; L446-I633 HydrophobicContact CD2-CB 4.28Å; L446-I633 HydrophobicContact CD2-CG1 3.97Å; L446-I633 HydrophobicContact CD2-CG2 4.41Å; L446-I633 HydrophobicContact CG-CB 4.28Å; L446-I633 HydrophobicContact CG-CG1 3.91Å; L446-I633 PolarHBondContact O-N 2.86Å; L446-P636 HydrophobicContact CB-CB 4.16Å; L446-I640 HydrophobicContact CD2-CD1 4.18Å; L446-V649 HydrophobicContact CD2-CG1 4.19Å
447	T	94.7	Very high	75.5	Confident	21 Å²	21	59.5 Å²	59.5	13%	0.129	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.3	176.2	-57.3	0	0	0	0	109.1	V49 L50 V51 F631	V49-T447 PolarHBondContact O-N 2.9Å; L50-T447 CarbonylContact C-O 3.52Å; L50-T447 WeakPolarHBondContact CA-O 3.24Å; L50-T447 HydrophobicContact CD1-CG2 3.53Å; V51-T447 PolarHBondContact N-O 3.44Å; T447-F631 CarbonylContact C-O 3.58Å; T447-F631 VanDerWaalsContact CA-O 3.3Å; T447-F631 WeakPolarHBondContact CA-O 3.35Å
448	L	94.8	Very high	74.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.5	173.1	-53	-176.9	0	0	0	109.2	V51 W410 I433 S630 F631 I633 V649 I651	V51-L448 HydrophobicContact CB-CD2 3.78Å; V51-L448 HydrophobicContact CG1-CD2 4.36Å; V51-L448 HydrophobicContact CG2-CD2 4.25Å; V51-L448 CarbonylContact O-C 3.55Å; V51-L448 WeakPolarHBondContact O-CA 3.31Å; W410-L448 HydrophobicContact CB-CD2 4.46Å; W410-L448 HydrophobicContact CD2-CB 3.99Å; W410-L448 HydrophobicContact CD2-CD1 3.99Å; W410-L448 HydrophobicContact CD2-CG 4.44Å; W410-L448 HydrophobicContact CE3-CB 4.43Å; W410-L448 HydrophobicContact CE3-CD1 3.81Å; W410-L448 HydrophobicContact CG-CB 4.36Å; W410-L448 HydrophobicContact CG-CD1 4.38Å; W410-L448 HydrophobicContact CG-CD2 4.32Å; W410-L448 HydrophobicContact CH2-CB 4.41Å; W410-L448 HydrophobicContact CZ2-CB 4Å; W410-L448 HydrophobicContact CZ3-CD1 4.21Å; I433-L448 HydrophobicContact CD1-CD2 3.85Å; I433-L448 HydrophobicContact CG1-CD2 3.84Å; L448-S630 CarbonylContact O-C 3.5Å; L448-S630 WeakPolarHBondContact O-CA 3.43Å; L448-F631 HydrophobicContact CB-CB 4.41Å; L448-F631 PolarHBondContact N-O 2.82Å; L448-F631 PolarHBondContact O-N 2.9Å; L448-I633 HydrophobicContact CD1-CD1 3.9Å; L448-I633 HydrophobicContact CG-CD1 3.97Å; L448-I633 HydrophobicContact CG-CG1 4.17Å; L448-V649 HydrophobicContact CD1-CG2 3.99Å; L448-I651 HydrophobicContact CD1-CD1 4.18Å; L448-I651 HydrophobicContact CD1-CG1 4.24Å
449	S	92.6	Very high	73.9	Confident	4 Å²	4	70 Å²	70	3%	0.028	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.8	177.4	-169.6	0	0	0	0	113.4	V51 N52 W410 A451 L629 S630	V51-S449 PolarHBondContact O-N 2.91Å; N52-S449 WeakPolarHBondContact CA-O 3.48Å; W410-S449 PolarHBondContact NE1-O 2.86Å; S449-A451 VanDerWaalsContact C-N 3.31Å; S449-A451 PolarHBondContact OG-N 3.49Å; S449-L629 CarbonylContact C-O 3.59Å; S449-L629 WeakPolarHBondContact CA-O 3.32Å; S449-L629 PolarHBondContact OG-O 3.45Å; S449-S630 PolarHBondContact OG-OG 3.18Å
450	T	89.6	Confident	73.3	Confident	27 Å²	27	73.5 Å²	73.5	17%	0.166	40%	0.403	C	S	.	.			trans	-90.5	7.7	172	71	0	0	0	0	113	W410 L629 F631 L687	W410-T450 HydrophobicContact CH2-CG2 4.26Å; W410-T450 HydrophobicContact CZ2-CG2 3.76Å; T450-L629 HydrophobicContact CG2-CB 4.25Å; T450-L629 PolarHBondContact N-O 3.22Å; T450-L629 PolarHBondContact OG1-N 3.07Å; T450-F631 HydrophobicContact CG2-CE2 4.37Å; T450-L687 HydrophobicContact CG2-CD1 3.51Å; T450-L687 HydrophobicContact CG2-CD2 4.19Å; T450-L687 HydrophobicContact CG2-CG 4.47Å
451	A	78.9	Confident	71.8	Confident	27 Å²	27	78.1 Å²	78.1	22%	0.223	42%	0.422	C	S	.	.			trans	-62.8	134.1	170	0	0	0	0	0	110.2	N52 S449	N52-A451 WeakPolarHBondContact CB-O 3.46Å; S449-A451 VanDerWaalsContact C-N 3.31Å; S449-A451 PolarHBondContact OG-N 3.49Å
452	E	66.5	Low	70.9	Confident	96 Å²	96	84.4 Å²	84.4	45%	0.449	46%	0.455	S	S	.	.			trans	-99.4	118.2	159.7	-64.9	-164.2	127.7	0	0	107.2	L53 R54 D454	L53-E452 HydrophobicContact CB-CG 4.35Å; L53-E452 HydrophobicContact CD1-CG 4.01Å; R54-E452 IonicContact CZ-OE1 3.66Å; R54-E452 IonicContact CZ-OE2 3.57Å; R54-E452 IonicContact NE-OE1 3.94Å; R54-E452 PolarHBondContact NE-OE1 3.41Å; R54-E452 IonicContact NH2-OE1 2.75Å; R54-E452 PolarHBondContact NH2-OE1 2.91Å; R54-E452 IonicContact NH2-OE2 3.65Å; R54-E452 PolarHBondContact NH2-OE2 3.16Å; E452-D454 PolarHBondContact O-N 3.44Å
453	Q	59.4	Low	69.7	Low	101 Å²	101	88.1 Å²	88.1	47%	0.472	47%	0.469	S	S	.	.			trans	-80.3	53.5	170.2	-71.9	-176.5	-41.4	0	0	110.3	N52 N55	N52-Q453 PolarHBondContact ND2-OE1 2.7Å; N55-Q453 PolarHBondContact ND2-OE1 2.71Å
454	D	50.4	Low	68.9	Low	58 Å²	58	93.8 Å²	93.8	31%	0.31	50%	0.5	S	S	.	.			trans	-83.5	136.4	164.1	-71.6	-6.3	0	0	0	107.2	R54 E452 F456	R54-D454 IonicContact CZ-OD1 3.2Å; R54-D454 IonicContact CZ-OD2 3.38Å; R54-D454 VanDerWaalsContact CZ-OD2 3.31Å; R54-D454 IonicContact NH1-OD1 3.56Å; R54-D454 PolarHBondContact NH1-OD1 3.49Å; R54-D454 IonicContact NH1-OD2 2.72Å; R54-D454 PolarHBondContact NH1-OD2 3.06Å; R54-D454 IonicContact NH2-OD2 2.66Å; R54-D454 PolarHBondContact NH2-OD2 2.88Å; E452-D454 PolarHBondContact O-N 3.44Å; D454-F456 HydrophobicContact CB-CD2 3.56Å; D454-F456 HydrophobicContact CB-CE2 3.83Å; D454-F456 PolarHBondContact O-N 3.03Å
455	N	43.5	Very low	67.9	Low	154 Å²	154	99.4 Å²	99.4	82%	0.824	51%	0.508	S	S	*	.	S	Bend	trans	-68.9	30	-173	-76	-16.6	0	0	0	115.3	N457	N455-N457 PolarHBondContact O-N 3.1Å
456	F	46.7	Very low	66.1	Low	159 Å²	159	102.9 Å²	102.9	70%	0.697	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	26.2	176.9	-63.3	-69.8	0	0	0	113.9	D454 D458	D454-F456 HydrophobicContact CB-CD2 3.56Å; D454-F456 HydrophobicContact CB-CE2 3.83Å; D454-F456 PolarHBondContact O-N 3.03Å; F456-D458 VanDerWaalsContact C-N 3.26Å
457	N	49.8	Very low	63.4	Low	163 Å²	163	111.2 Å²	111.2	87%	0.872	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-27.7	168.3	-79.7	-15.5	0	0	0	111.3	N455	N455-N457 PolarHBondContact O-N 3.1Å
458	D	49.3	Very low	61.8	Low	134 Å²	134	115.4 Å²	115.4	72%	0.717	60%	0.599	S	S	*	*	S	Bend	trans	-81.5	139	171.8	-63	-34.5	0	0	0	110.7	F456	F456-D458 VanDerWaalsContact C-N 3.26Å
459	V	64.5	Low	59.7	Low	138 Å²	138	124.9 Å²	124.9	84%	0.836	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-62.1	123.5	176.3	175.2	0	0	0	0	108.9	E461	V459-E461 PolarHBondContact O-N 3.49Å
460	P	64.9	Low	57.4	Low	103 Å²	103	133.5 Å²	133.5	67%	0.669	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-65.2	121.6	-176	24.8	-33.7	0	0	0	111	L462	P460-L462 PolarHBondContact O-N 3.35Å
461	E	52.8	Low	55.2	Low	174 Å²	174	138.8 Å²	138.8	81%	0.813	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-65.9	126.9	-179.5	-167.3	-173.2	-171.1	0	0	111.2	V459 K463	V459-E461 PolarHBondContact O-N 3.49Å; E461-K463 PolarHBondContact O-N 3.18Å
462	L	68.2	Low	53.5	Low	132 Å²	132	142.2 Å²	142.2	69%	0.691	72%	0.72	S	S	*	*			trans	-76.8	95.5	-177.3	-163.3	80.5	0	0	0	111.1	P460 I592	P460-L462 PolarHBondContact O-N 3.35Å; L462-I592 HydrophobicContact CD1-CD1 3.42Å; L462-I592 VanDerWaalsContact CD1-CD1 3.42Å; L462-I592 HydrophobicContact CD2-CD1 3.69Å; L462-I592 HydrophobicContact CG-CD1 4.21Å
463	K	62.2	Low	52.5	Low	184 Å²	184	143.9 Å²	143.9	80%	0.8	73%	0.728	S	S	*	*			trans	-61.6	137.2	177.5	-65.6	-173.8	179.2	-179.3	0	111.6	E461 E465	E461-K463 PolarHBondContact O-N 3.18Å; K463-E465 PolarHBondContact O-N 3.07Å
464	L	56.6	Low	51.7	Low	142 Å²	142	144.7 Å²	144.7	74%	0.743	74%	0.735	S	S	*	*			trans	-59.7	114.4	177.7	-178.3	75.5	0	0	0	111.1	Q466	L464-Q466 HydrophobicContact CD2-CG 3.84Å; L464-Q466 HydrophobicContact CG-CG 4.09Å; L464-Q466 PolarHBondContact O-N 3.09Å
465	E	54.8	Low	51.4	Low	185 Å²	185	145 Å²	145	86%	0.864	74%	0.739	S	S	*	*			trans	-76.5	106.5	175.2	-168	173.3	-150.6	0	0	110.4	K463	K463-E465 PolarHBondContact O-N 3.07Å
466	Q	52.8	Low	51.4	Low	159 Å²	159	142.1 Å²	142.1	74%	0.743	73%	0.727	S	S	*	*			trans	-99.4	112.2	179.8	-68.8	-170	-9.4	0	0	111.8	L464	L464-Q466 HydrophobicContact CD2-CG 3.84Å; L464-Q466 HydrophobicContact CG-CG 4.09Å; L464-Q466 PolarHBondContact O-N 3.09Å
467	L	39.3	Very low	51.1	Low	175 Å²	175	143 Å²	143	92%	0.916	73%	0.726	S	S	*	*			trans	-79.8	120.1	167.4	-81.9	150.4	0	0	0	110.2
468	S	60.4	Low	50.5	Low	108 Å²	108	144.4 Å²	144.4	76%	0.755	72%	0.719	S	S	*	*			trans	-123.5	147.5	171.2	61	0	0	0	0	110.9	K470	S468-K470 PolarHBondContact O-N 3.39Å
469	F	51.7	Low	49.9	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.873	72%	0.718	S	S	*	*			trans	-64.9	133.3	171.3	-71	-75.4	0	0	0	109.5	N471	F469-N471 PolarHBondContact O-N 3.42Å
470	K	42.4	Very low	48.8	Very low	185 Å²	185	147.1 Å²	147.1	80%	0.804	71%	0.71	S	S	*	*			trans	-62.2	102.2	-179.1	-166.8	174.3	-171.1	172.3	0	110	S468 N472	S468-K470 PolarHBondContact O-N 3.39Å; K470-N472 PolarHBondContact O-N 3.01Å
471	N	43.9	Very low	47.6	Very low	138 Å²	138	148.8 Å²	148.8	74%	0.738	71%	0.709	S	S	*	*			trans	-61.2	98.2	177.9	-89.2	-7.2	0	0	0	110.3	F469 E473	F469-N471 PolarHBondContact O-N 3.42Å; N471-E473 PolarHBondContact O-N 3.43Å
472	N	43.2	Very low	47	Very low	100 Å²	100	145.6 Å²	145.6	54%	0.535	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.2	37.3	-175.1	-105.8	-14.2	0	0	0	112.8	K470 N474 V475	K470-N472 PolarHBondContact O-N 3.01Å; N472-N474 PolarHBondContact O-N 3.33Å; N472-N474 VanDerWaalsContact O-N 3.16Å; N472-V475 HydrophobicContact CB-CB 4.28Å; N472-V475 HydrophobicContact CB-CG2 3.9Å; N472-V475 VanDerWaalsContact CG-CG2 3.47Å; N472-V475 WeakPolarHBondContact O-CB 3.24Å; N472-V475 PolarHBondContact O-N 3.04Å; N472-V475 WeakPolarHBondContact OD1-CG2 3.37Å
473	E	45.5	Very low	45.7	Very low	130 Å²	130	143.6 Å²	143.6	61%	0.607	69%	0.686	S	S	*	*	H	α-helix	trans	-62.3	-24	179	-62.7	-160.9	157.8	0	0	112.4	N471 V475	N471-E473 PolarHBondContact O-N 3.43Å; E473-V475 VanDerWaalsContact C-N 3.32Å; E473-V475 PolarHBondContact O-N 3.43Å
474	N	42.2	Very low	44.7	Very low	119 Å²	119	142.6 Å²	142.6	64%	0.636	68%	0.682	S	S	*	*	H	α-helix	trans	-78.4	-6.4	172.9	-73.3	-28.3	0	0	0	114.8	N472	N472-N474 PolarHBondContact O-N 3.33Å; N472-N474 VanDerWaalsContact O-N 3.16Å
475	V	45.4	Very low	43.9	Very low	64 Å²	64	143.4 Å²	143.4	39%	0.388	68%	0.679	S	S	.	*	H	α-helix	trans	-86.7	-33.8	174.2	179.7	0	0	0	0	111.6	N472 E473	N472-V475 HydrophobicContact CB-CB 4.28Å; N472-V475 HydrophobicContact CB-CG2 3.9Å; N472-V475 VanDerWaalsContact CG-CG2 3.47Å; N472-V475 WeakPolarHBondContact O-CB 3.24Å; N472-V475 PolarHBondContact O-N 3.04Å; N472-V475 WeakPolarHBondContact OD1-CG2 3.37Å; E473-V475 VanDerWaalsContact C-N 3.32Å; E473-V475 PolarHBondContact O-N 3.43Å
476	V	43.8	Very low	43.2	Very low	93 Å²	93	138.6 Å²	138.6	56%	0.564	66%	0.662	S	S	*	*	H	α-helix	trans	-69.7	-39.5	-179	-176.5	0	0	0	0	111.5	R478 R479	V476-R478 PolarHBondContact O-N 2.97Å; V476-R479 PolarHBondContact O-N 3.2Å
477	R	40.6	Very low	42.4	Very low	178 Å²	178	139.7 Å²	139.7	67%	0.672	66%	0.66	S	S	*	*	H	α-helix	trans	-67.1	-35	179	-69.6	-174.9	178.3	131.3	1.2	113.6
478	R	36.6	Very low	42.2	Very low	193 Å²	193	138.4 Å²	138.4	73%	0.728	65%	0.654	S	S	*	*	H	α-helix	trans	-70.9	-32.5	177.9	-86.8	-173.2	171.8	120.4	-3.5	113.6	V476 H481 I482	V476-R478 PolarHBondContact O-N 2.97Å; R478-H481 PolarHBondContact O-N 3.29Å; R478-I482 PolarHBondContact O-N 3.27Å
479	R	36.8	Very low	40.9	Very low	183 Å²	183	137.6 Å²	137.6	69%	0.691	65%	0.648	S	S	*	*	H	α-helix	trans	-66.3	-39.7	176.6	-77.9	-174.4	171.9	176.6	-2.1	112.7	V476 H481 I482 D483	V476-R479 PolarHBondContact O-N 3.2Å; R479-H481 VanDerWaalsContact C-N 3.28Å; R479-H481 PolarHBondContact O-N 3.4Å; R479-I482 PolarHBondContact O-N 3.26Å; R479-D483 PolarHBondContact O-N 3.08Å
480	Q	40.3	Very low	40	Very low	145 Å²	145	137.5 Å²	137.5	68%	0.678	65%	0.648	S	S	*	*	H	α-helix	trans	-65.9	-26.1	179.3	-68.5	-174.7	-8.9	0	0	114
481	H	39.4	Very low	39.3	Very low	139 Å²	139	132.5 Å²	132.5	64%	0.644	64%	0.641	S	S	*	*	H	α-helix	trans	-84.4	-26.3	178.8	-137	-84.2	0	0	0	113.6	R478 R479	R478-H481 PolarHBondContact O-N 3.29Å; R479-H481 VanDerWaalsContact C-N 3.28Å; R479-H481 PolarHBondContact O-N 3.4Å
482	I	40.7	Very low	38.5	Very low	107 Å²	107	137.4 Å²	137.4	55%	0.549	65%	0.649	S	S	.	*	H	α-helix	trans	-79.1	-42.7	178.7	-66.8	170.7	0	0	0	110.9	R478 R479 K484 F485 V486	R478-I482 PolarHBondContact O-N 3.27Å; R479-I482 PolarHBondContact O-N 3.26Å; I482-K484 PolarHBondContact O-N 3.15Å; I482-K484 VanDerWaalsContact O-N 3.17Å; I482-F485 PolarHBondContact O-N 2.97Å; I482-F485 VanDerWaalsContact O-N 3.08Å; I482-V486 HydrophobicContact CG2-CG2 4.19Å; I482-V486 WeakPolarHBondContact O-CG2 3.28Å; I482-V486 PolarHBondContact O-N 3.19Å; I482-V486 VanDerWaalsContact O-N 3.07Å
483	D	41.2	Very low	37.9	Very low	89 Å²	89	137.3 Å²	137.3	48%	0.476	66%	0.656	S	S	.	*	H	α-helix	trans	-62.2	-24.3	177.1	-86.9	-30.5	0	0	0	113.5	R479 R487	R479-D483 PolarHBondContact O-N 3.08Å; D483-R487 WeakPolarHBondContact O-CG 3.39Å
484	K	42.1	Very low	37.1	Very low	163 Å²	163	139.4 Å²	139.4	71%	0.709	66%	0.663	S	S	*	*	H	α-helix	trans	-80.7	-24.1	177.3	-147.9	173.8	-173.9	-178.9	0	113.1	I482	I482-K484 PolarHBondContact O-N 3.15Å; I482-K484 VanDerWaalsContact O-N 3.17Å
485	F	38.1	Very low	36.6	Very low	159 Å²	159	142.7 Å²	142.7	70%	0.697	68%	0.675	S	S	*	*	H	α-helix	trans	-88	-32.7	175.4	-115.3	-91.4	0	0	0	112.8	I482 N488 S489	I482-F485 PolarHBondContact O-N 2.97Å; I482-F485 VanDerWaalsContact O-N 3.08Å; F485-N488 PolarHBondContact O-N 3.45Å; F485-S489 PolarHBondContact O-OG 3.38Å
486	V	40.1	Very low	35.8	Very low	84 Å²	84	145.7 Å²	145.7	51%	0.509	69%	0.688	S	S	.	*	H	α-helix	trans	-76.6	-20.5	180	177.1	0	0	0	0	112.8	I482 S489	I482-V486 HydrophobicContact CG2-CG2 4.19Å; I482-V486 WeakPolarHBondContact O-CG2 3.28Å; I482-V486 PolarHBondContact O-N 3.19Å; I482-V486 VanDerWaalsContact O-N 3.07Å; V486-S489 PolarHBondContact O-OG 3.39Å
487	R	36.4	Very low	35.1	Very low	182 Å²	182	148.2 Å²	148.2	69%	0.687	70%	0.698	S	S	*	*	S	Bend	trans	-81.4	-20.2	173.3	-69	-178.5	-159.9	-176.4	7.3	114.6	D483	D483-R487 WeakPolarHBondContact O-CG 3.39Å
488	N	35.4	Very low	34.4	Very low	148 Å²	148	146.5 Å²	146.5	79%	0.791	70%	0.702	S	S	*	*	S	Bend	trans	-91.3	1.2	178.8	-86.3	5.4	0	0	0	114.3	F485	F485-N488 PolarHBondContact O-N 3.45Å
489	S	32.8	Very low	34.2	Very low	92 Å²	92	142.6 Å²	142.6	64%	0.643	71%	0.705	S	S	*	*	S	Bend	trans	-115.8	9.5	-178	46.1	0	0	0	0	114.4	F485 V486	F485-S489 PolarHBondContact O-OG 3.38Å; V486-S489 PolarHBondContact O-OG 3.39Å
490	K	32.3	Very low	33.9	Very low	197 Å²	197	140.9 Å²	140.9	86%	0.857	71%	0.709	S	S	*	*	S	Bend	trans	-126.3	15.2	173.4	-87.4	-171.9	173.2	-176.9	0	114.8
491	A	29	Very low	33.4	Very low	79 Å²	79	140 Å²	140	65%	0.653	71%	0.709	S	S	*	*			trans	-125.7	67	179.8	0	0	0	0	0	111.6
492	R	27.3	Very low	33	Very low	241 Å²	241	140.5 Å²	140.5	91%	0.909	71%	0.711	S	S	*	*			trans	-160.6	141.1	161.3	-111.9	165.5	-171.5	-163.7	-0.4	111.2
493	S	29.7	Very low	32.4	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	72%	0.72	S	S	*	*			trans	76.4	129.2	-174.2	97.1	0	0	0	0	114.2
494	F	30	Very low	31.6	Very low	175 Å²	175	144.2 Å²	144.2	77%	0.768	73%	0.731	S	S	*	*			cis	-142.3	145.4	-0.4	-88.6	-78.7	0	0	0	112.5
495	H	31.2	Very low	30.7	Very low	188 Å²	188	142.8 Å²	142.8	87%	0.87	74%	0.736	S	S	*	*			trans	-132.4	150.1	130	-121.7	54.9	0	0	0	108.3
496	L	27.3	Very low	30.2	Very low	126 Å²	126	140 Å²	140	66%	0.66	74%	0.737	S	S	*	*			trans	-84.2	163.1	-170.6	-73.7	72.6	0	0	0	111.1
497	D	29.8	Very low	29.6	Very low	146 Å²	146	140.5 Å²	140.5	78%	0.781	74%	0.744	S	S	*	*				-167.8	142	103.1	-83.8	-15.8	0	0	0	111.9
498	D	27.1	Very low	29	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	75%	0.745	S	S	*	*			trans	27	124.4	158	-57.2	-18.9	0	0	0	120.2
499	S	31.7	Very low	28.7	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	75%	0.75	S	S	*	*				179	150.2	66.2	35	0	0	0	0	112.9
500	N	29.2	Very low	28.3	Very low	146 Å²	146	143 Å²	143	78%	0.781	76%	0.761	S	S	*	*			trans	20.2	129.2	149.4	-62	2.5	0	0	0	119.4
501	D	31	Very low	28.2	Very low	126 Å²	126	139.1 Å²	139.1	67%	0.674	76%	0.756	S	S	*	*				-169.2	166.9	51.8	-102	-32.1	0	0	0	114.2
502	H	30.9	Very low	28.1	Very low	151 Å²	151	144 Å²	144	70%	0.699	77%	0.771	S	S	*	*			trans	11.2	150	148.4	-56.5	-52.8	0	0	0	122
503	Q	28.1	Very low	28	Very low	156 Å²	156	140.9 Å²	140.9	73%	0.729	76%	0.763	S	S	*	*			cis	-169.4	151.2	-0.7	-118.7	177.7	-1.7	0	0	111.2
504	T	24.4	Very low	27.7	Very low	117 Å²	117	143.8 Å²	143.8	72%	0.718	77%	0.766	S	S	*	*			trans	60.5	124.8	148	49.2	0	0	0	0	125.5
505	V	23.3	Very low	27.5	Very low	134 Å²	134	143.9 Å²	143.9	81%	0.812	77%	0.773	S	S	*	*			trans	79.3	112.6	134.2	178.8	0	0	0	0	120.8
506	S	27.3	Very low	27.2	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	76%	0.764	S	S	*	*				-177.1	136.9	102.2	-158	0	0	0	0	115.5
507	S	28	Very low	27	Very low	93 Å²	93	141 Å²	141	65%	0.65	77%	0.774	S	S	*	*			trans	25.4	112.4	146.5	60.9	0	0	0	0	120.6
508	S	23.8	Very low	26.7	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	77%	0.768	S	S	*	*				89.8	120.8	66.5	73.2	0	0	0	0	116.7
509	L	27.9	Very low	26.5	Very low	173 Å²	173	139.3 Å²	139.3	91%	0.906	77%	0.774	S	S	*	*				-171	152.4	128.1	-104.5	163.9	0	0	0	112
510	F	25	Very low	26.3	Very low	199 Å²	199	144.8 Å²	144.8	87%	0.873	78%	0.779	S	S	*	*			trans	-101.6	163.6	-167.4	-84	-96.9	0	0	0	114
511	P	30.7	Very low	26	Very low	116 Å²	116	146.4 Å²	146.4	75%	0.753	78%	0.782	S	S	*	*			trans	-97.3	168	179.6	39.1	-34.8	0	0	0	113.8
512	L	26.6	Very low	25.8	Very low	182 Å²	182	150.8 Å²	150.8	95%	0.953	79%	0.79	S	S	*	*			trans	-134.3	153.6	166.9	-93.8	173.4	0	0	0	113.3
513	K	25.6	Very low	25.6	Very low	175 Å²	175	150 Å²	150	76%	0.761	79%	0.791	S	S	*	*			trans	-103.4	158.6	-173.4	-95.6	-175.5	168.6	-167.5	0	113.2
514	E	22.9	Very low	25.4	Very low	160 Å²	160	151.3 Å²	151.3	75%	0.748	80%	0.797	S	S	*	*			trans	6.9	119.6	150.5	-62.9	167.8	113.9	0	0	119.3
515	I	26.9	Very low	25.5	Very low	176 Å²	176	156.2 Å²	156.2	90%	0.903	80%	0.804	S	S	*	*			trans	-129.3	150.1	139.1	-67.5	-173.2	0	0	0	108.5
516	V	23.5	Very low	25.6	Very low	112 Å²	112	158.7 Å²	158.7	68%	0.679	80%	0.804	S	S	*	*			trans	-101.2	159.4	-160.5	166.1	0	0	0	0	112.6
517	T	23.1	Very low	25.6	Very low	143 Å²	143	160.8 Å²	160.8	88%	0.877	81%	0.807	S	S	*	*			trans	65	117.8	166	41.1	0	0	0	0	119.3
518	G	25	Very low	25.4	Very low	64 Å²	64	165.5 Å²	165.5	66%	0.66	82%	0.819	S	S	*	*			trans	-171.9	86.7	165.5	0	0	0	0	0	110.5	Y520	G518-Y520 PolarHBondContact O-N 3.38Å
519	Q	22.5	Very low	25.6	Very low	189 Å²	189	166.8 Å²	166.8	88%	0.883	82%	0.823	S	S	*	*			trans	-67.3	116.9	-179	-70.9	172.2	-51.6	0	0	110.9
520	Y	26.4	Very low	25.5	Very low	225 Å²	225	168.9 Å²	168.9	88%	0.882	82%	0.82	S	S	*	*			trans	-115.7	105.6	159.4	-82	-80.9	0	0	0	109.2	G518 Y522	G518-Y520 PolarHBondContact O-N 3.38Å; Y520-Y522 PolarHBondContact O-N 3.3Å; Y520-Y522 VanDerWaalsContact O-N 3.13Å
521	H	23.9	Very low	25.5	Very low	180 Å²	180	167.4 Å²	167.4	83%	0.833	82%	0.821	S	S	*	*			trans	-67.5	106.3	165.2	-84.8	-32.5	0	0	0	109
522	Y	26.7	Very low	25.3	Very low	219 Å²	219	170.8 Å²	170.8	86%	0.859	83%	0.827	S	S	*	*			trans	-84.3	122.8	158.6	-155.7	-95.4	0	0	0	107.5	Y520 E524	Y520-Y522 PolarHBondContact O-N 3.3Å; Y520-Y522 VanDerWaalsContact O-N 3.13Å; Y522-E524 PolarHBondContact O-N 3.45Å
523	N	26.7	Very low	25.3	Very low	135 Å²	135	170.2 Å²	170.2	72%	0.722	82%	0.823	S	S	*	*			trans	-68.4	102.8	-177.8	-82.5	-24.4	0	0	0	110.9	Y525	N523-Y525 PolarHBondContact O-N 3.11Å; N523-Y525 VanDerWaalsContact O-N 3.14Å
524	E	24.1	Very low	25.4	Very low	183 Å²	183	169.4 Å²	169.4	86%	0.855	83%	0.827	S	S	*	*			trans	-72.2	96.5	160.9	-71.5	-172.6	129.4	0	0	109.6	Y522	Y522-E524 PolarHBondContact O-N 3.45Å
525	Y	25.7	Very low	25.5	Very low	219 Å²	219	170.6 Å²	170.6	86%	0.859	83%	0.833	S	S	*	*			trans	-117.3	70.4	158	-96.3	-80	0	0	0	109.5	N523	N523-Y525 PolarHBondContact O-N 3.11Å; N523-Y525 VanDerWaalsContact O-N 3.14Å
526	K	25.8	Very low	25.5	Very low	186 Å²	186	168.8 Å²	168.8	81%	0.809	83%	0.83	S	S	*	*	S	Bend	trans	-150.1	130.7	163.6	-108	179.8	177.4	-178.9	0	109.1
527	N	26.8	Very low	25.6	Very low	145 Å²	145	170.3 Å²	170.3	78%	0.775	83%	0.833	S	S	*	*			trans	77.8	53.3	167.9	-54.7	-8	0	0	0	118.9
528	E	23.9	Very low	25.7	Very low	193 Å²	193	170.3 Å²	170.3	90%	0.902	83%	0.828	S	S	*	*			trans	-95.8	66	148.4	-73.7	-164.6	144.7	0	0	111
529	T	27.4	Very low	25.7	Very low	128 Å²	128	174.7 Å²	174.7	79%	0.785	84%	0.836	S	S	*	*	S	Bend	trans	-154.2	29.5	169	-29.6	0	0	0	0	112.8
530	Y	25.7	Very low	25.9	Very low	218 Å²	218	171.8 Å²	171.8	86%	0.855	84%	0.836	S	S	*	*	S	Bend	trans	-143.2	22.9	-175.7	-113.9	-79.6	0	0	0	115.5
531	N	25.6	Very low	25.8	Very low	168 Å²	168	172.4 Å²	172.4	90%	0.898	84%	0.837	S	S	*	*	S	Bend	trans	-136.6	44.8	177.4	-86.5	-34	0	0	0	113
532	Q	26.5	Very low	26	Very low	186 Å²	186	169.6 Å²	169.6	87%	0.869	84%	0.838	S	S	*	*	S	Bend	trans	-147.4	85.5	164.8	-71.2	-169.4	-2.7	0	0	110
533	I	27.6	Very low	26.1	Very low	171 Å²	171	170.3 Å²	170.3	88%	0.877	84%	0.839	S	S	*	*	S	Bend	trans	175.5	65.9	151.6	-85	147.5	0	0	0	105.8
534	D	26	Very low	26.2	Very low	157 Å²	157	170.5 Å²	170.5	84%	0.84	84%	0.839	S	S	*	*			trans	-153.4	44.1	166.8	-121.6	-15.9	0	0	0	110.5
535	Q	25.6	Very low	26.2	Very low	185 Å²	185	169.1 Å²	169.1	86%	0.864	83%	0.833	S	S	*	*			trans	-144.5	63.3	173.1	-78.1	-164.4	-20.8	0	0	111.1
536	T	26.8	Very low	26.3	Very low	139 Å²	139	167.5 Å²	167.5	85%	0.853	83%	0.833	S	S	*	*			trans	-162.5	55.7	157.1	-1	0	0	0	0	111.9
537	I	25.4	Very low	26.4	Very low	143 Å²	143	163.5 Å²	163.5	73%	0.733	83%	0.828	S	S	*	*	S	Bend	trans	-99.6	131.4	154.5	-64	178.6	0	0	0	106.1
538	N	25.7	Very low	26.5	Very low	144 Å²	144	164.5 Å²	164.5	77%	0.77	83%	0.828	S	S	*	*	S	Bend	trans	75.1	82.4	-168.8	-47.6	-41	0	0	0	114.6
539	D	25.3	Very low	26.6	Very low	155 Å²	155	161.9 Å²	161.9	83%	0.829	82%	0.819	S	S	*	*				-172.5	96.4	123	-99.3	-13.8	0	0	0	112
540	S	26.7	Very low	26.7	Very low	128 Å²	128	163.1 Å²	163.1	90%	0.895	82%	0.821	S	S	*	*			trans	170	59.9	153.7	38.7	0	0	0	0	111.7
541	R	24.9	Very low	26.7	Very low	239 Å²	239	156 Å²	156	90%	0.902	82%	0.815	S	S	*	*			trans	-111.3	144.6	157.3	-108.9	-178.6	173.6	172.2	-1.8	108.8
542	S	28.2	Very low	26.8	Very low	120 Å²	120	152.5 Å²	152.5	84%	0.839	81%	0.808	S	S	*	*			trans	77.2	99.1	-178.3	77.4	0	0	0	0	117
543	R	27.6	Very low	26.7	Very low	234 Å²	234	150.6 Å²	150.6	88%	0.883	81%	0.805	S	S	*	*				-146.4	119.2	117.2	-98.1	179.8	-174.5	-164.9	0.2	109
544	L	28.8	Very low	26.8	Very low	139 Å²	139	150.8 Å²	150.8	73%	0.728	80%	0.801	S	S	*	*			trans	21.9	117.5	147.3	-65	113.8	0	0	0	118
545	E	24.1	Very low	26.8	Very low	154 Å²	154	151.3 Å²	151.3	72%	0.72	80%	0.799	S	S	*	*				91.8	139.8	60.7	-82.5	-169.1	150.1	0	0	114.3
546	H	28.6	Very low	26.7	Very low	185 Å²	185	153.9 Å²	153.9	86%	0.856	80%	0.8	S	S	*	*			trans	66.9	131.9	-171.4	-50.2	-55.8	0	0	0	114.5
547	S	27.9	Very low	26.6	Very low	102 Å²	102	152.9 Å²	152.9	71%	0.713	80%	0.799	S	S	*	*			cis	-144.7	135.2	27.2	56.6	0	0	0	0	116
548	Q	28	Very low	26.4	Very low	167 Å²	167	154.4 Å²	154.4	78%	0.78	81%	0.808	S	S	*	*			trans	58.4	123.7	134.6	-65.3	-174	-3.4	0	0	123.2
549	L	26.3	Very low	26.4	Very low	137 Å²	137	153.1 Å²	153.1	72%	0.717	81%	0.81	S	S	*	*				52.8	123.6	125	-55.9	164.8	0	0	0	117.7
550	N	29	Very low	26.3	Very low	155 Å²	155	151.1 Å²	151.1	83%	0.829	81%	0.808	S	S	*	*			cis	-162.7	177.4	14.8	-83.6	-35.3	0	0	0	108.3
551	G	26.2	Very low	26.2	Very low	69 Å²	69	153.4 Å²	153.4	71%	0.711	81%	0.805	S	S	*	*			cis	161.8	167.2	-5.4	0	0	0	0	0	112.6
552	A	27.3	Very low	25.9	Very low	93 Å²	93	153.1 Å²	153.1	77%	0.769	80%	0.804	S	S	*	*			trans	57.1	106.6	166.2	0	0	0	0	0	122
553	N	24.2	Very low	25.7	Very low	147 Å²	147	157 Å²	157	79%	0.786	80%	0.802	S	S	*	*				39.3	126.2	124.8	-57.7	-22	0	0	0	122
554	H	29.7	Very low	25.5	Very low	174 Å²	174	156.2 Å²	156.2	81%	0.806	80%	0.8	S	S	*	*				-166.5	113.5	110.4	-99.7	59.5	0	0	0	108.2
555	Q	27	Very low	25.2	Very low	168 Å²	168	155.7 Å²	155.7	79%	0.785	80%	0.803	S	S	*	*				64	107.3	93.6	-73.4	-154.6	2.6	0	0	117.4
556	R	22.2	Very low	25.3	Very low	239 Å²	239	156.1 Å²	156.1	90%	0.902	81%	0.81	S	S	*	*			trans	32.3	123.3	139.4	-67.8	178.5	172.4	175.3	-2.7	119.6
557	S	25.8	Very low	25	Very low	119 Å²	119	155.8 Å²	155.8	83%	0.832	81%	0.806	S	S	*	*				-139.2	138.8	117.2	64.8	0	0	0	0	111.5
558	L	21.4	Very low	24.7	Very low	175 Å²	175	158 Å²	158	92%	0.916	81%	0.81	S	S	*	*			trans	-116.8	126.5	168.9	-94.2	159.3	0	0	0	105.7
559	S	26	Very low	24.6	Very low	116 Å²	116	158.9 Å²	158.9	81%	0.811	81%	0.814	S	S	*	*			trans	-149.6	100.5	163.4	59.4	0	0	0	0	110.4
560	S	21.8	Very low	24.4	Very low	114 Å²	114	159.5 Å²	159.5	80%	0.797	82%	0.818	S	S	*	*			trans	-75.4	137.5	166.6	54.9	0	0	0	0	110.7
561	Q	24.5	Very low	24.3	Very low	175 Å²	175	161.1 Å²	161.1	82%	0.818	82%	0.82	S	S	*	*			trans	-126.5	127.2	151.3	-83.7	-172.5	-19.8	0	0	109.9
562	R	19.7	Very low	24.2	Very low	234 Å²	234	165.2 Å²	165.2	88%	0.883	83%	0.825	S	S	*	*			trans	-98.5	143.3	161.7	-71.2	176.9	175.9	161.6	-2	107.4
563	Y	23.4	Very low	24.2	Very low	202 Å²	202	166.3 Å²	166.3	79%	0.792	82%	0.823	S	S	*	*			trans	-127	169	152.9	-91.3	-76.4	0	0	0	110.6
564	Y	24.4	Very low	24.1	Very low	217 Å²	217	167.2 Å²	167.2	85%	0.851	83%	0.827	S	S	*	*			trans	-87.5	162.9	-147.2	-89.4	-106.4	0	0	0	115.9
565	T	22.6	Very low	23.9	Very low	128 Å²	128	166 Å²	166	79%	0.785	83%	0.826	S	S	*	*			trans	-66.9	151.1	170.9	52.5	0	0	0	0	113.6
566	N	25.3	Very low	23.9	Very low	163 Å²	163	163.8 Å²	163.8	87%	0.872	83%	0.825	S	S	*	*			trans	-141.4	166	141.5	-142.2	-11.7	0	0	0	112.1
567	K	22	Very low	24	Very low	177 Å²	177	159.4 Å²	159.4	77%	0.77	82%	0.819	S	S	*	*			trans	-101.6	168.1	-159.4	-70.9	172.7	165.6	176.2	0	115.2
568	N	22	Very low	23.9	Very low	148 Å²	148	159.8 Å²	159.8	79%	0.791	82%	0.82	S	S	*	*			trans	75.3	149.6	167.5	-51.8	-16.2	0	0	0	113.2
569	E	26.5	Very low	24	Very low	186 Å²	186	158.3 Å²	158.3	87%	0.869	81%	0.812	S	S	*	*			cis	-133.4	178.6	24.8	-71.2	176.9	144.9	0	0	114.7
570	N	22.2	Very low	23.9	Very low	151 Å²	151	161 Å²	161	81%	0.807	82%	0.816	S	S	*	*			trans	-64.6	150.9	172.9	-52.6	-65.8	0	0	0	111.5
571	H	26.9	Very low	24	Very low	188 Å²	188	162.3 Å²	162.3	87%	0.87	81%	0.813	S	S	*	*				-163.9	155.8	129	-101.5	-64.9	0	0	0	111.9
572	L	23.6	Very low	24	Very low	155 Å²	155	162.9 Å²	162.9	81%	0.812	82%	0.815	S	S	*	*			trans	-70.6	138	-176.9	-68.8	65.1	0	0	0	111.5
573	T	26.7	Very low	24.2	Very low	117 Å²	117	157 Å²	157	72%	0.718	81%	0.809	S	S	*	*			trans	-149.5	109.2	140	34.2	0	0	0	0	110
574	N	23.3	Very low	24.2	Very low	165 Å²	165	153.3 Å²	153.3	88%	0.882	81%	0.809	S	S	*	*			trans	-96.3	79.7	159.1	-87.5	-17.9	0	0	0	107.4
575	D	25.1	Very low	24.3	Very low	148 Å²	148	147.4 Å²	147.4	79%	0.791	80%	0.8	S	S	*	*			trans	-92.2	101.4	170.1	-87.2	-34.5	0	0	0	110.2
576	T	27.6	Very low	24.4	Very low	122 Å²	122	146.8 Å²	146.8	75%	0.748	80%	0.796	S	S	*	*			trans	-92.9	115	168.5	51.1	0	0	0	0	110.5
577	D	23.2	Very low	24.4	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	79%	0.787	S	S	*	*			trans	50.4	82.5	150.5	-57.9	-27.3	0	0	0	118.5	I579	D577-I579 PolarHBondContact O-N 2.89Å; D577-I579 VanDerWaalsContact O-N 3.15Å
578	C	24.5	Very low	24.6	Very low	126 Å²	126	143.4 Å²	143.4	85%	0.851	79%	0.793	S	S	*	*			trans	-72.9	96.6	156.6	-68.9	0	0	0	0	111.3	L580	C578-L580 PolarHBondContact O-N 3.32Å
579	I	23.5	Very low	24.8	Very low	145 Å²	145	144.1 Å²	144.1	74%	0.744	80%	0.797	S	S	*	*			trans	-72.8	106.6	162.3	-58.3	177.5	0	0	0	108.4	D577 I581	D577-I579 PolarHBondContact O-N 2.89Å; D577-I579 VanDerWaalsContact O-N 3.15Å; I579-I581 HydrophobicContact CG2-CG1 3.99Å; I579-I581 PolarHBondContact O-N 2.84Å; I579-I581 VanDerWaalsContact O-N 3.15Å
580	L	23.1	Very low	24.9	Very low	171 Å²	171	140.7 Å²	140.7	90%	0.895	79%	0.793	S	S	*	*			trans	-72.3	101.6	170.8	-84.5	165.1	0	0	0	110.4	C578	C578-L580 PolarHBondContact O-N 3.32Å
581	I	24.6	Very low	25.1	Very low	143 Å²	143	141.9 Å²	141.9	73%	0.733	80%	0.798	S	S	*	*			trans	-93.6	126	165.6	-59.4	-178.2	0	0	0	108.3	I579	I579-I581 HydrophobicContact CG2-CG1 3.99Å; I579-I581 PolarHBondContact O-N 2.84Å; I579-I581 VanDerWaalsContact O-N 3.15Å
582	H	23.1	Very low	25.1	Very low	187 Å²	187	137.4 Å²	137.4	87%	0.866	78%	0.78	S	S	*	*			trans	-2.5	122.4	175.4	-72.4	-48.8	0	0	0	119.3
583	C	24.2	Very low	25.2	Very low	110 Å²	110	138.1 Å²	138.1	74%	0.743	78%	0.783	S	S	*	*			trans	-117.1	125.9	151.2	-161.3	0	0	0	0	108.7	S585	C583-S585 PolarHBondContact O-N 2.98Å
584	P	23	Very low	25.2	Very low	124 Å²	124	140.7 Å²	140.7	81%	0.805	79%	0.785	S	S	*	*			trans	-91.7	73.5	177.5	35.4	-32.3	0	0	0	111.1
585	S	28.2	Very low	25.3	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	78%	0.78	S	S	*	*			trans	-88.5	107.9	169.3	53.8	0	0	0	0	110.3	C583 S587	C583-S585 PolarHBondContact O-N 2.98Å; S585-S587 PolarHBondContact O-N 2.99Å; S585-S587 VanDerWaalsContact O-N 3.11Å
586	T	24.8	Very low	25.3	Very low	116 Å²	116	140.2 Å²	140.2	71%	0.712	78%	0.776	S	S	*	*			trans	-80.6	86.4	176	58.6	0	0	0	0	111.3	K623	T586-K623 PolarHBondContact OG1-NZ 3.38Å
587	S	25.3	Very low	25.3	Very low	96 Å²	96	141.9 Å²	141.9	67%	0.671	78%	0.781	S	S	*	*			trans	-150.2	109.5	156.2	52.6	0	0	0	0	109.6	S585	S585-S587 PolarHBondContact O-N 2.99Å; S585-S587 VanDerWaalsContact O-N 3.11Å
588	L	25.7	Very low	25.5	Very low	172 Å²	172	142.3 Å²	142.3	90%	0.901	78%	0.783	S	S	*	*			trans	169.3	103.8	158.1	-98.5	162.1	0	0	0	107.8
589	D	25.7	Very low	25.6	Very low	164 Å²	164	141 Å²	141	88%	0.877	78%	0.776	S	S	*	*			trans	-150.7	83.2	166.9	-109.4	-25.7	0	0	0	109.1
590	S	29.1	Very low	25.8	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	78%	0.781	S	S	*	*			trans	178.5	133.2	133.6	37	0	0	0	0	111.4
591	I	26.7	Very low	25.8	Very low	176 Å²	176	144.3 Å²	144.3	90%	0.903	78%	0.78	S	S	*	*			trans	-96.8	141.6	172.7	-71.2	170.9	0	0	0	108.4
592	I	26.4	Very low	25.9	Very low	95 Å²	95	144.9 Å²	144.9	49%	0.487	79%	0.785	S	S	.	*			trans	-90.9	145	-171.5	-64.6	164.1	0	0	0	112.1	L462	L462-I592 HydrophobicContact CD1-CD1 3.42Å; L462-I592 VanDerWaalsContact CD1-CD1 3.42Å; L462-I592 HydrophobicContact CD2-CD1 3.69Å; L462-I592 HydrophobicContact CG-CD1 4.21Å
593	L	25.8	Very low	26	Very low	170 Å²	170	141.7 Å²	141.7	89%	0.89	78%	0.783	S	S	*	*			trans	-142.2	99.3	141.3	-67.2	178.3	0	0	0	106.9
594	K	25.9	Very low	26	Very low	171 Å²	171	144 Å²	144	74%	0.743	79%	0.787	S	S	*	*				57.6	143	96.7	-101.3	-171.1	172.2	-177.3	0	114.1
595	Q	26.3	Very low	26	Very low	168 Å²	168	147.8 Å²	147.8	79%	0.785	79%	0.791	S	S	*	*			cis	-161.5	168.9	39.6	-172.9	165.9	-25.5	0	0	112.6
596	D	24.7	Very low	25.8	Very low	134 Å²	134	149.7 Å²	149.7	72%	0.717	80%	0.798	S	S	*	*			trans	-55.9	161.9	-179.9	-51.6	-78.6	0	0	0	116.6	D598	D596-D598 PolarHBondContact O-N 2.59Å
597	N	27.2	Very low	25.7	Very low	157 Å²	157	147.5 Å²	147.5	84%	0.84	80%	0.798	S	S	*	*			trans	-57.4	126.5	170.2	-63.7	-39.8	0	0	0	111.2
598	D	28.3	Very low	25.6	Very low	157 Å²	157	152.6 Å²	152.6	84%	0.84	81%	0.808	S	S	*	*				-162.4	159.2	104.4	-112	-27.1	0	0	0	113.6	D596 N600	D596-D598 PolarHBondContact O-N 2.59Å; D598-N600 PolarHBondContact O-N 2.77Å
599	S	26.8	Very low	25.4	Very low	100 Å²	100	152.9 Å²	152.9	70%	0.699	80%	0.803	S	S	*	*			trans	-54.1	123.9	-173.4	58.7	0	0	0	0	115.7
600	N	26.7	Very low	25.4	Very low	159 Å²	159	150 Å²	150	85%	0.85	80%	0.795	S	S	*	*				-171.9	144.4	114.1	-100.9	-55	0	0	0	113.3	D598 N602	D598-N600 PolarHBondContact O-N 2.77Å; N600-N602 PolarHBondContact O-N 2.85Å
601	Y	24.2	Very low	25.2	Very low	225 Å²	225	150.8 Å²	150.8	88%	0.882	80%	0.796	S	S	*	*			trans	-64.3	125.6	172.7	-94.2	-104.4	0	0	0	111.1
602	N	26.7	Very low	25.2	Very low	156 Å²	156	147.2 Å²	147.2	83%	0.834	78%	0.778	S	S	*	*			trans	-153.5	128.3	142.2	-101.8	-41	0	0	0	111.2	N600	N600-N602 PolarHBondContact O-N 2.85Å
603	S	23.3	Very low	25.3	Very low	119 Å²	119	149.3 Å²	149.3	83%	0.832	79%	0.79	S	S	*	*			trans	-80.8	127.5	-177.3	51.6	0	0	0	0	111.2
604	I	25.4	Very low	25.4	Very low	158 Å²	158	147.8 Å²	147.8	81%	0.81	78%	0.782	S	S	*	*			trans	-119.1	125.2	173.9	-62.6	-178.9	0	0	0	109.5
605	K	23	Very low	25.6	Very low	205 Å²	205	144.1 Å²	144.1	89%	0.891	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-72.4	122.9	-175.6	-68.6	169	176.5	170.2	0	110.8	G607	K605-G607 PolarHBondContact O-N 3.1Å
606	V	23.8	Very low	25.7	Very low	133 Å²	133	141.6 Å²	141.6	81%	0.806	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-75.8	116.4	170.9	179.9	0	0	0	0	109.9
607	G	22.3	Very low	26.1	Very low	69 Å²	69	144.1 Å²	144.1	71%	0.711	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-87.4	118.3	178.9	0	0	0	0	0	113.3	K605	K605-G607 PolarHBondContact O-N 3.1Å
608	K	24.2	Very low	26.3	Very low	203 Å²	203	142.4 Å²	142.4	88%	0.883	76%	0.761	S	S	*	*			trans	39.7	101.1	156.4	-70.2	-178.7	175.4	178.8	0	118.2
609	F	21.9	Very low	26.4	Very low	179 Å²	179	140.8 Å²	140.8	79%	0.785	75%	0.751	S	S	*	*			trans	-57.7	137.6	156.1	-83.6	-101.6	0	0	0	112.2	L612	F609-L612 HydrophobicContact CE1-CD1 4.23Å
610	S	24.8	Very low	26.9	Very low	103 Å²	103	144.1 Å²	144.1	72%	0.72	75%	0.754	S	S	*	*			trans	-129.4	123.9	160.1	56.3	0	0	0	0	111.1
611	T	25.7	Very low	27.1	Very low	130 Å²	130	143.8 Å²	143.8	80%	0.798	75%	0.752	S	S	*	*			trans	53.8	88.4	162.5	49.9	0	0	0	0	117.7
612	L	26	Very low	27.6	Very low	100 Å²	100	140.9 Å²	140.9	52%	0.524	74%	0.744	S	S	.	*			trans	-111.1	68.2	174.8	-150.7	160.8	0	0	0	110.8	F609 L615	F609-L612 HydrophobicContact CE1-CD1 4.23Å; L612-L615 HydrophobicContact CD2-CB 3.85Å; L612-L615 HydrophobicContact CD2-CD1 3.5Å; L612-L615 VanDerWaalsContact CD2-CD1 3.5Å; L612-L615 HydrophobicContact CD2-CG 3.54Å
613	N	27.4	Very low	28.3	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	73%	0.731	S	S	*	*			trans	-88.3	2.4	-179.2	-86.2	-7.8	0	0	0	114.6
614	N	29.9	Very low	29.4	Very low	137 Å²	137	136.7 Å²	136.7	73%	0.733	71%	0.706	S	S	*	*	S	Bend	trans	-97	-12.3	-173.9	-73	-12.7	0	0	0	115.4	T616	N614-T616 VanDerWaalsContact C-N 3.32Å; N614-T616 PolarHBondContact O-N 3.39Å
615	L	28.7	Very low	30.4	Very low	95 Å²	95	139.3 Å²	139.3	50%	0.497	71%	0.707	S	S	.	*	H	α-helix	trans	-71.7	-20.8	-178.5	-92.2	177.1	0	0	0	114.5	L612 K617 I618	L612-L615 HydrophobicContact CD2-CB 3.85Å; L612-L615 HydrophobicContact CD2-CD1 3.5Å; L612-L615 VanDerWaalsContact CD2-CD1 3.5Å; L612-L615 HydrophobicContact CD2-CG 3.54Å; L615-K617 PolarHBondContact O-N 2.66Å; L615-I618 HydrophobicContact CD2-CD1 4.3Å; L615-I618 PolarHBondContact O-N 2.72Å
616	T	29.8	Very low	31.9	Very low	114 Å²	114	131.3 Å²	131.3	70%	0.699	67%	0.672	S	S	*	*	H	α-helix	trans	-72.1	-13.3	-179.6	47.8	0	0	0	0	114	N614	N614-T616 VanDerWaalsContact C-N 3.32Å; N614-T616 PolarHBondContact O-N 3.39Å
617	K	32.3	Very low	34	Very low	188 Å²	188	130.2 Å²	130.2	82%	0.817	67%	0.668	S	S	*	*	H	α-helix	trans	-84.7	-27.2	173.1	-121.7	-178	-179.8	-174.4	0	113.2	L615	L615-K617 PolarHBondContact O-N 2.66Å
618	I	31.9	Very low	36.6	Very low	120 Å²	120	130.8 Å²	130.8	62%	0.615	66%	0.661	S	S	*	*	H	α-helix	trans	-78.6	-34.9	-176.4	-65.7	172.8	0	0	0	111.3	L615 K620 N621	L615-I618 HydrophobicContact CD2-CD1 4.3Å; L615-I618 PolarHBondContact O-N 2.72Å; I618-K620 PolarHBondContact O-N 2.91Å; I618-K620 VanDerWaalsContact O-N 3.11Å; I618-N621 PolarHBondContact O-N 3.04Å
619	L	30.6	Very low	39.6	Very low	123 Å²	123	122.8 Å²	122.8	64%	0.644	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-1.9	-177.1	-72.8	169.7	0	0	0	116.1
620	K	35.7	Very low	42.8	Very low	171 Å²	171	117.9 Å²	117.9	74%	0.743	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-16.7	175.9	-82.2	-166.2	173.4	-171.7	0	114.5	I618 K622	I618-K620 PolarHBondContact O-N 2.91Å; I618-K620 VanDerWaalsContact O-N 3.11Å; K620-K622 PolarHBondContact O-N 2.91Å
621	N	31.9	Very low	46	Very low	151 Å²	151	113.4 Å²	113.4	81%	0.807	58%	0.583	S	S	*	*			trans	-98.2	45.7	175.2	-81.1	2.4	0	0	0	112.2	I618 K623	I618-N621 PolarHBondContact O-N 3.04Å; N621-K623 PolarHBondContact O-N 2.89Å
622	K	34.3	Very low	49.2	Very low	165 Å²	165	112.4 Å²	112.4	72%	0.717	57%	0.569	S	S	*	*			trans	-67.4	88.4	155.3	-82.5	-167.5	171.2	-169.4	0	108	K620 N624	K620-K622 PolarHBondContact O-N 2.91Å; K622-N624 PolarHBondContact O-N 2.84Å; K622-N624 VanDerWaalsContact O-N 3.14Å
623	K	41.7	Very low	52.4	Low	130 Å²	130	108 Å²	108	57%	0.565	55%	0.546	S	S	*	.			trans	-56.4	115.5	152.1	-81.3	-176.1	172.3	-178.5	0	105.4	T586 N621 Y625	T586-K623 PolarHBondContact OG1-NZ 3.38Å; N621-K623 PolarHBondContact O-N 2.89Å; K623-Y625 VanDerWaalsContact C-N 3.32Å; K623-Y625 PolarHBondContact O-N 3.19Å
624	N	45.9	Very low	55.5	Low	56 Å²	56	105.7 Å²	105.7	30%	0.299	54%	0.539	S	S	.	.			trans	-63.5	96.3	177.2	-82.2	-17.9	0	0	0	108	K622 F626 A707 E712	K622-N624 PolarHBondContact O-N 2.84Å; K622-N624 VanDerWaalsContact O-N 3.14Å; N624-F626 HydrophobicContact CB-CZ 4.24Å; N624-F626 PolarHBondContact O-N 2.98Å; N624-A707 HydrophobicContact CB-CB 4.13Å; N624-A707 PolarHBondContact ND2-O 3.48Å; N624-E712 PolarHBondContact ND2-OE1 3.1Å; N624-E712 PolarHBondContact ND2-OE2 3.31Å; N624-E712 VanDerWaalsContact ND2-OE2 3.09Å
625	Y	46.9	Very low	58.3	Low	214 Å²	214	108 Å²	108	84%	0.839	54%	0.542	S	S	*	.			trans	-80.6	106.9	-176.6	-132.3	-85.2	0	0	0	108	K623	K623-Y625 VanDerWaalsContact C-N 3.32Å; K623-Y625 PolarHBondContact O-N 3.19Å
626	F	55	Low	61.2	Low	37 Å²	37	105.4 Å²	105.4	16%	0.162	53%	0.531	C	S	.	.			trans	-82.4	139.4	170.6	-56.2	-59.7	0	0	0	109.2	N624 L629 A685 L687 A707 A709	N624-F626 HydrophobicContact CB-CZ 4.24Å; N624-F626 PolarHBondContact O-N 2.98Å; F626-L629 HydrophobicContact CB-CD1 3.9Å; F626-L629 HydrophobicContact CB-CD2 4.21Å; F626-L629 HydrophobicContact CB-CG 3.9Å; F626-L629 HydrophobicContact CD2-CD1 3.97Å; F626-L629 HydrophobicContact CG-CD1 3.95Å; F626-L629 HydrophobicContact CG-CG 4.47Å; F626-A685 HydrophobicContact CD1-CB 4.07Å; F626-A685 HydrophobicContact CE1-CB 3.9Å; F626-A685 HydrophobicContact CE2-CB 4.34Å; F626-A685 HydrophobicContact CG-CB 4.4Å; F626-A685 HydrophobicContact CZ-CB 4.05Å; F626-L687 HydrophobicContact CD2-CD2 3.75Å; F626-L687 HydrophobicContact CE2-CD2 4.04Å; F626-A707 HydrophobicContact CE2-CB 3.89Å; F626-A707 HydrophobicContact CZ-CB 4.27Å; F626-A709 HydrophobicContact CE1-CB 3.81Å
627	P	67.2	Low	64	Low	109 Å²	109	101.5 Å²	101.5	71%	0.708	51%	0.508	S	S	*	.			trans	-57.5	155.2	157.5	29.4	-34.2	0	0	0	108.7	L629	P627-L629 WeakPolarHBondContact O-CG 3.16Å; P627-L629 PolarHBondContact O-N 2.9Å
628	S	76.4	Confident	66.7	Low	81 Å²	81	100.9 Å²	100.9	57%	0.566	51%	0.505	S	S	*	.			trans	-47.5	112	-173.6	55	0	0	0	0	112.2
629	L	86.9	Confident	69.4	Low	35 Å²	35	96.1 Å²	96.1	18%	0.183	48%	0.482	C	S	.	.			trans	-86.8	145.8	179.4	-60.2	176.3	0	0	0	109.3	S449 T450 F626 P627 F631 A685 L687	S449-L629 CarbonylContact C-O 3.59Å; S449-L629 WeakPolarHBondContact CA-O 3.32Å; S449-L629 PolarHBondContact OG-O 3.45Å; T450-L629 HydrophobicContact CG2-CB 4.25Å; T450-L629 PolarHBondContact N-O 3.22Å; T450-L629 PolarHBondContact OG1-N 3.07Å; F626-L629 HydrophobicContact CB-CD1 3.9Å; F626-L629 HydrophobicContact CB-CD2 4.21Å; F626-L629 HydrophobicContact CB-CG 3.9Å; F626-L629 HydrophobicContact CD2-CD1 3.97Å; F626-L629 HydrophobicContact CG-CD1 3.95Å; F626-L629 HydrophobicContact CG-CG 4.47Å; P627-L629 WeakPolarHBondContact O-CG 3.16Å; P627-L629 PolarHBondContact O-N 2.9Å; L629-F631 HydrophobicContact CB-CE2 3.75Å; L629-F631 HydrophobicContact CB-CZ 3.85Å; L629-F631 HydrophobicContact CD1-CE2 4.39Å; L629-F631 HydrophobicContact CD1-CZ 3.86Å; L629-A685 HydrophobicContact CD1-CB 3.73Å; L629-A685 HydrophobicContact CD2-CB 4.39Å; L629-L687 HydrophobicContact CD1-CD2 3.92Å; L629-L687 HydrophobicContact CD1-CG 4.49Å
630	S	89.5	Confident	72.3	Confident	77 Å²	77	90.3 Å²	90.3	54%	0.538	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.6	173.8	-68.1	0	0	0	0	110.4	L448 S449	L448-S630 CarbonylContact O-C 3.5Å; L448-S630 WeakPolarHBondContact O-CA 3.43Å; S449-S630 PolarHBondContact OG-OG 3.18Å
631	F	92.1	Very high	74.7	Confident	8 Å²	8	86.2 Å²	86.2	4%	0.035	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	105.1	-173.6	-56	-83.9	0	0	0	109.3	W410 Y429 T447 L448 T450 L629 I651 Y684 L687	W410-F631 AromaticContact CH2-CD2 3.87Å; W410-F631 HydrophobicContact CH2-CD2 3.87Å; W410-F631 AromaticContact CH2-CE2 3.76Å; W410-F631 HydrophobicContact CH2-CE2 3.76Å; W410-F631 HydrophobicContact CZ2-CD2 4.16Å; W410-F631 HydrophobicContact CZ2-CE2 4.18Å; Y429-F631 HydrophobicContact CE1-CD1 4.45Å; Y429-F631 AromaticContact CE1-CE1 3.86Å; Y429-F631 HydrophobicContact CE1-CE1 3.86Å; Y429-F631 HydrophobicContact CE1-CZ 4.22Å; T447-F631 CarbonylContact C-O 3.58Å; T447-F631 VanDerWaalsContact CA-O 3.3Å; T447-F631 WeakPolarHBondContact CA-O 3.35Å; L448-F631 HydrophobicContact CB-CB 4.41Å; L448-F631 PolarHBondContact N-O 2.82Å; L448-F631 PolarHBondContact O-N 2.9Å; T450-F631 HydrophobicContact CG2-CE2 4.37Å; L629-F631 HydrophobicContact CB-CE2 3.75Å; L629-F631 HydrophobicContact CB-CZ 3.85Å; L629-F631 HydrophobicContact CD1-CE2 4.39Å; L629-F631 HydrophobicContact CD1-CZ 3.86Å; F631-I651 HydrophobicContact CB-CG1 4.36Å; F631-I651 HydrophobicContact CB-CG2 4.01Å; F631-I651 HydrophobicContact CD1-CG2 3.56Å; F631-I651 HydrophobicContact CE1-CG2 4.32Å; F631-I651 HydrophobicContact CG-CD1 4.37Å; F631-I651 HydrophobicContact CG-CG2 4.01Å; F631-Y684 AromaticContact CD1-CD1 3.7Å; F631-Y684 HydrophobicContact CD1-CD1 3.7Å; F631-Y684 HydrophobicContact CD1-CE1 4.22Å; F631-Y684 AromaticContact CE1-CD1 3.86Å; F631-Y684 HydrophobicContact CE1-CD1 3.86Å; F631-L687 HydrophobicContact CE2-CD1 4.15Å; F631-L687 HydrophobicContact CZ-CD1 4.4Å
632	E	92.9	Very high	77.1	Confident	110 Å²	110	79.4 Å²	79.4	51%	0.514	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.4	172	-177	159.3	-178.1	0	0	109.6	K445 P634	K445-E632 VanDerWaalsContact CE-CD 3.41Å; K445-E632 WeakPolarHBondContact CE-OE1 3.49Å; K445-E632 WeakPolarHBondContact CE-OE2 2.96Å; K445-E632 IonicContact NZ-OE1 3.66Å; K445-E632 PolarHBondContact NZ-OE1 3.37Å; K445-E632 IonicContact NZ-OE2 2.75Å; K445-E632 PolarHBondContact NZ-OE2 3.41Å; E632-P634 VanDerWaalsContact O-CD 3.28Å; E632-P634 WeakPolarHBondContact O-CD 3.49Å
633	I	94.2	Very high	79.2	Confident	6 Å²	6	76.1 Å²	76.1	3%	0.031	39%	0.39	C	S	.	.			trans	-80.9	114.4	-175.6	-61.2	-55.8	0	0	0	109.1	L446 L448 K635 P636 V649 I651	L446-I633 HydrophobicContact CB-CB 4.22Å; L446-I633 HydrophobicContact CB-CG1 4.36Å; L446-I633 HydrophobicContact CD2-CB 4.28Å; L446-I633 HydrophobicContact CD2-CG1 3.97Å; L446-I633 HydrophobicContact CD2-CG2 4.41Å; L446-I633 HydrophobicContact CG-CB 4.28Å; L446-I633 HydrophobicContact CG-CG1 3.91Å; L446-I633 PolarHBondContact O-N 2.86Å; L448-I633 HydrophobicContact CD1-CD1 3.9Å; L448-I633 HydrophobicContact CG-CD1 3.97Å; L448-I633 HydrophobicContact CG-CG1 4.17Å; I633-K635 PolarHBondContact O-N 2.76Å; I633-P636 WeakPolarHBondContact O-CD 3.42Å; I633-V649 HydrophobicContact CD1-CB 4.46Å; I633-V649 HydrophobicContact CD1-CG2 3.69Å; I633-V649 HydrophobicContact CG1-CG2 4Å; I633-V649 HydrophobicContact CG2-CB 4.07Å; I633-V649 HydrophobicContact CG2-CG2 4.37Å; I633-I651 HydrophobicContact CD1-CG1 3.8Å
634	P	91.1	Very high	81.1	Confident	92 Å²	92	70.7 Å²	70.7	60%	0.597	37%	0.371	S	S	*	.	S	Bend	trans	-68.5	-23	-169.7	-22	34	0	0	0	114.5	E632	E632-P634 VanDerWaalsContact O-CD 3.28Å; E632-P634 WeakPolarHBondContact O-CD 3.49Å
635	K	90.1	Very high	83	Confident	186 Å²	186	71.9 Å²	71.9	81%	0.809	38%	0.375	S	S	*	.	S	Bend	trans	-139.4	82	178.5	-68.7	-172	179.1	-179.6	0	109	I633	I633-K635 PolarHBondContact O-N 2.76Å
636	P	89.4	Confident	85.1	Confident	41 Å²	41	64.4 Å²	64.4	27%	0.266	35%	0.353	S	S	.	.			trans	-58	145.1	175.3	19.6	-28.5	0	0	0	111.1	F443 L446 I633	F443-P636 HydrophobicContact CD2-CB 3.58Å; F443-P636 HydrophobicContact CD2-CG 4.42Å; F443-P636 HydrophobicContact CE2-CB 3.37Å; L446-P636 HydrophobicContact CB-CB 4.16Å; I633-P636 WeakPolarHBondContact O-CD 3.42Å
637	P	89.2	Confident	87	Confident	32 Å²	32	65 Å²	65	21%	0.208	36%	0.356	C	S	.	.			trans	-67.5	152.2	169.7	30.9	-35.6	0	0	0	110.2	F443 S639 I640 Q647 V649	F443-P637 HydrophobicContact CE2-CG 4.37Å; F443-P637 HydrophobicContact CZ-CG 4.05Å; P637-S639 VanDerWaalsContact C-N 3.26Å; P637-S639 PolarHBondContact O-N 3.2Å; P637-I640 HydrophobicContact CG-CD1 4.21Å; P637-I640 HydrophobicContact CG-CG1 3.87Å; P637-Q647 VanDerWaalsContact CG-NE2 3.33Å; P637-V649 HydrophobicContact CG-CG1 3.92Å
638	K	88.2	Confident	88.2	Confident	174 Å²	174	66.2 Å²	66.2	76%	0.757	35%	0.346	S	S	*	.	S	Bend	trans	-56.2	-38.8	-178	-176.5	-178.6	175.4	-170.1	0	113.3
639	S	88.8	Confident	89.2	Confident	20 Å²	20	62.7 Å²	62.7	14%	0.14	32%	0.321	C	S	.	.			trans	-146.9	143.9	178.1	179.4	0	0	0	0	110	W441 P637 K641 Q647	W441-S639 CarbonylContact O-C 3.59Å; W441-S639 WeakPolarHBondContact O-CA 3.48Å; W441-S639 PolarHBondContact O-OG 3.49Å; P637-S639 VanDerWaalsContact C-N 3.26Å; P637-S639 PolarHBondContact O-N 3.2Å; S639-K641 PolarHBondContact OG-NZ 3.35Å; S639-K641 VanDerWaalsContact OG-NZ 3.11Å; S639-Q647 PolarHBondContact O-NE2 3.29Å; S639-Q647 PolarHBondContact O-OE1 3.08Å
640	I	90.4	Very high	89.6	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-111.8	133	161.8	-67.7	170.7	0	0	0	107.6	I433 Q435 D440 W441 F443 L446 P637 Q647	I433-I640 HydrophobicContact CD1-CD1 3.58Å; I433-I640 HydrophobicContact CG2-CD1 4.43Å; Q435-I640 HydrophobicContact CG-CG2 3.64Å; D440-I640 CarbonylContact C-O 3.59Å; D440-I640 WeakPolarHBondContact CA-O 3.3Å; W441-I640 HydrophobicContact CE3-CB 4.38Å; W441-I640 HydrophobicContact CE3-CD1 4.48Å; W441-I640 HydrophobicContact CE3-CG2 4.41Å; W441-I640 PolarHBondContact N-O 2.79Å; W441-I640 PolarHBondContact O-N 3.48Å; F443-I640 HydrophobicContact CE1-CB 4.23Å; F443-I640 HydrophobicContact CE1-CD1 4.01Å; F443-I640 HydrophobicContact CE1-CG1 4.03Å; F443-I640 HydrophobicContact CZ-CB 4.43Å; F443-I640 HydrophobicContact CZ-CD1 3.51Å; F443-I640 HydrophobicContact CZ-CG1 3.73Å; L446-I640 HydrophobicContact CD2-CD1 4.18Å; P637-I640 HydrophobicContact CG-CD1 4.21Å; P637-I640 HydrophobicContact CG-CG1 3.87Å; I640-Q647 HydrophobicContact CG1-CB 4.4Å; I640-Q647 HydrophobicContact CG1-CG 4.15Å
641	K	85.9	Confident	89.9	Confident	84 Å²	84	60.1 Å²	60.1	37%	0.365	30%	0.304	S	S	.	.			trans	-88.5	149.4	-170.1	-65.3	-57.3	-177.4	-161.8	0	114.8	Q435 D440 S639 N643	Q435-K641 PolarHBondContact NE2-O 3.46Å; D440-K641 HydrophobicContact CB-CD 4.27Å; D440-K641 VanDerWaalsContact OD1-CA 3.25Å; D440-K641 WeakPolarHBondContact OD1-CA 3.46Å; D440-K641 WeakPolarHBondContact OD1-CD 3.48Å; D440-K641 WeakPolarHBondContact OD2-CD 3.36Å; D440-K641 WeakPolarHBondContact OD2-CE 3.16Å; D440-K641 IonicContact OD2-NZ 3.83Å; D440-K641 PolarHBondContact OD2-NZ 3.26Å; S639-K641 PolarHBondContact OG-NZ 3.35Å; S639-K641 VanDerWaalsContact OG-NZ 3.11Å; K641-N643 WeakPolarHBondContact CB-OD1 3.49Å; K641-N643 PolarHBondContact O-N 2.95Å
642	G	82.3	Confident	90.1	Very high	9 Å²	9	60.1 Å²	60.1	9%	0.093	31%	0.306	C	S	.	.	S	Bend	trans	-54.1	-8.6	-177.2	0	0	0	0	0	118.2	N436 G438 E439 D440	N436-G642 WeakPolarHBondContact CA-O 3.47Å; G438-G642 PolarHBondContact N-O 3.09Å; G438-G642 VanDerWaalsContact N-O 3.14Å; E439-G642 VanDerWaalsContact O-CA 3.27Å; E439-G642 WeakPolarHBondContact O-CA 3.23Å; E439-G642 PolarHBondContact O-N 2.95Å; D440-G642 PolarHBondContact OD1-N 3.14Å
643	N	79.7	Confident	90.3	Very high	95 Å²	95	59.6 Å²	59.6	51%	0.508	31%	0.306	S	S	.	.	S	Bend	trans	-118	16.6	-144.5	69.2	-18.4	0	0	0	115.2	K641 E645	K641-N643 WeakPolarHBondContact CB-OD1 3.49Å; K641-N643 PolarHBondContact O-N 2.95Å; N643-E645 PolarHBondContact O-N 2.9Å; N643-E645 VanDerWaalsContact O-N 3.13Å; N643-E645 WeakPolarHBondContact OD1-CB 3.48Å; N643-E645 PolarHBondContact OD1-N 3.16Å
644	G	81.5	Confident	90.4	Very high	16 Å²	16	59.9 Å²	59.9	17%	0.165	31%	0.307	C	S	.	.			trans	74.1	-2.1	176.7	0	0	0	0	0	116.2	R434 Q435 N436	R434-G644 PolarHBondContact NH1-O 3.07Å; Q435-G644 WeakPolarHBondContact O-CA 3.3Å; Q435-G644 PolarHBondContact O-N 3.02Å; N436-G644 PolarHBondContact OD1-N 2.99Å
645	E	85.3	Confident	90.6	Very high	82 Å²	82	61.7 Å²	61.7	38%	0.383	31%	0.308	S	S	.	.			trans	-61.4	140.6	174.4	-78.9	-65.2	143.8	0	0	111.3	N643 Q647	N643-E645 PolarHBondContact O-N 2.9Å; N643-E645 VanDerWaalsContact O-N 3.13Å; N643-E645 WeakPolarHBondContact OD1-CB 3.48Å; N643-E645 PolarHBondContact OD1-N 3.16Å; E645-Q647 PolarHBondContact O-N 2.83Å
646	P	91.9	Very high	90.9	Very high	56 Å²	56	53.5 Å²	53.5	36%	0.364	27%	0.272	S	S	.	.			trans	-79.4	114.6	-175.1	30.5	-27.7	0	0	0	111.2	T432 I433 R434	T432-P646 HydrophobicContact CG2-CB 3.77Å; I433-P646 CarbonylContact O-C 3.59Å; I433-P646 WeakPolarHBondContact O-CA 3.5Å; R434-P646 HydrophobicContact CG-CB 4.09Å
647	Q	93.2	Very high	91.2	Very high	50 Å²	50	60.3 Å²	60.3	23%	0.234	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.4	177.6	-166.1	148.3	-22.1	0	0	111.6	I433 P637 S639 I640 E645	I433-Q647 PolarHBondContact N-O 3.18Å; I433-Q647 PolarHBondContact O-N 3.04Å; P637-Q647 VanDerWaalsContact CG-NE2 3.33Å; S639-Q647 PolarHBondContact O-NE2 3.29Å; S639-Q647 PolarHBondContact O-OE1 3.08Å; I640-Q647 HydrophobicContact CG1-CB 4.4Å; I640-Q647 HydrophobicContact CG1-CG 4.15Å; E645-Q647 PolarHBondContact O-N 2.83Å
648	R	94.2	Very high	91.6	Very high	135 Å²	135	59.5 Å²	59.5	51%	0.509	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.7	-177.6	-170.2	171	60.5	158.1	-4.6	111.1	D415 Y430 G431	D415-R648 IonicContact OD1-NH1 3.36Å; D415-R648 PolarHBondContact OD1-NH1 2.86Å; Y430-R648 HydrophobicContact CD1-CG 3.71Å; Y430-R648 HydrophobicContact CD2-CG 4.45Å; Y430-R648 HydrophobicContact CE1-CG 4.46Å; Y430-R648 HydrophobicContact CG-CG 3.7Å; G431-R648 WeakPolarHBondContact O-CA 3.49Å
649	V	95.5	Very high	91.9	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.036	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.7	175.6	-59.6	0	0	0	0	110.6	Y430 G431 I433 L446 L448 I633 P637	Y430-V649 CarbonylContact C-O 3.59Å; Y430-V649 WeakPolarHBondContact CA-O 3Å; Y430-V649 WeakPolarHBondContact CB-O 3.31Å; G431-V649 PolarHBondContact N-O 2.99Å; G431-V649 WeakPolarHBondContact O-CG2 3.42Å; G431-V649 PolarHBondContact O-N 2.94Å; I433-V649 HydrophobicContact CD1-CG1 3.94Å; I433-V649 HydrophobicContact CD1-CG2 3.86Å; I433-V649 HydrophobicContact CG1-CG2 4.4Å; L446-V649 HydrophobicContact CD2-CG1 4.19Å; L448-V649 HydrophobicContact CD1-CG2 3.99Å; I633-V649 HydrophobicContact CD1-CB 4.46Å; I633-V649 HydrophobicContact CD1-CG2 3.69Å; I633-V649 HydrophobicContact CG1-CG2 4Å; I633-V649 HydrophobicContact CG2-CB 4.07Å; I633-V649 HydrophobicContact CG2-CG2 4.37Å; P637-V649 HydrophobicContact CG-CG1 3.92Å
650	T	96.7	Very high	92.1	Very high	58 Å²	58	60.5 Å²	60.5	36%	0.356	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.8	177.8	-52.3	0	0	0	0	109.8	I428 Y430 I653	I428-T650 HydrophobicContact CG2-CG2 4.05Å; Y430-T650 WeakPolarHBondContact CE1-OG1 3.24Å; T650-I653 HydrophobicContact CG2-CG1 4.17Å
651	I	96	Very high	92.2	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-52.7	169.7	-67.7	166.7	0	0	0	108.8	W410 Y429 L448 F631 I633 Y684	W410-I651 HydrophobicContact CH2-CD1 4.49Å; W410-I651 HydrophobicContact CZ3-CD1 4.03Å; Y429-I651 HydrophobicContact CD1-CB 4.09Å; Y429-I651 HydrophobicContact CD1-CD1 4.36Å; Y429-I651 HydrophobicContact CD1-CG2 3.74Å; Y429-I651 HydrophobicContact CD2-CD1 3.95Å; Y429-I651 HydrophobicContact CE1-CD1 4.12Å; Y429-I651 HydrophobicContact CE1-CG2 3.97Å; Y429-I651 HydrophobicContact CE2-CD1 3.64Å; Y429-I651 HydrophobicContact CG-CB 4.1Å; Y429-I651 HydrophobicContact CG-CD1 4.29Å; Y429-I651 HydrophobicContact CG-CG2 4.28Å; Y429-I651 PolarHBondContact O-N 3.15Å; L448-I651 HydrophobicContact CD1-CD1 4.18Å; L448-I651 HydrophobicContact CD1-CG1 4.24Å; F631-I651 HydrophobicContact CB-CG1 4.36Å; F631-I651 HydrophobicContact CB-CG2 4.01Å; F631-I651 HydrophobicContact CD1-CG2 3.56Å; F631-I651 HydrophobicContact CE1-CG2 4.32Å; F631-I651 HydrophobicContact CG-CD1 4.37Å; F631-I651 HydrophobicContact CG-CG2 4.01Å; I633-I651 HydrophobicContact CD1-CG1 3.8Å; I651-Y684 HydrophobicContact CG2-CD1 4.1Å; I651-Y684 HydrophobicContact CG2-CE1 4.06Å
652	G	95.4	Very high	92.7	Very high	8 Å²	8	59.3 Å²	59.3	8%	0.082	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	163.6	-175.1	0	0	0	0	0	113.7	Y429	Y429-G652 PolarHBondContact N-O 2.87Å; Y429-G652 PolarHBondContact O-N 2.86Å
653	I	96.8	Very high	93.4	Very high	99 Å²	99	59.6 Å²	59.6	51%	0.508	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.6	174.4	-63.1	178.3	0	0	0	107.2	K426 I428 T650	K426-I653 HydrophobicContact CD-CG2 4.41Å; K426-I653 HydrophobicContact CG-CG2 4.28Å; I428-I653 HydrophobicContact CG2-CG1 4.2Å; T650-I653 HydrophobicContact CG2-CG1 4.17Å
654	L	96.2	Very high	94.3	Very high	11 Å²	11	55.1 Å²	55.1	6%	0.058	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.8	-167.8	-40.8	179.6	0	0	0	109	K426 I427 F656 Y684 L686	K426-L654 CarbonylContact C-O 3.56Å; K426-L654 WeakPolarHBondContact CA-O 3.31Å; I427-L654 HydrophobicContact CB-CB 4.38Å; I427-L654 PolarHBondContact N-O 3.31Å; I427-L654 PolarHBondContact O-N 2.84Å; L654-F656 HydrophobicContact CB-CD2 4.44Å; L654-F656 HydrophobicContact CB-CE2 3.53Å; L654-F656 HydrophobicContact CB-CZ 3.85Å; L654-F656 HydrophobicContact CD1-CE2 4.39Å; L654-F656 HydrophobicContact CD1-CZ 4.31Å; L654-Y684 HydrophobicContact CD2-CD2 3.63Å; L654-Y684 HydrophobicContact CD2-CE2 4.02Å; L654-L686 HydrophobicContact CD1-CD2 3.49Å; L654-L686 VanDerWaalsContact CD1-CD2 3.49Å
655	E	96.6	Very high	95	Very high	131 Å²	131	58 Å²	58	61%	0.612	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.8	-177.7	-63.7	-168	172.8	0	0	111	K426	K426-E655 HydrophobicContact CB-CG 4.47Å; K426-E655 HydrophobicContact CG-CG 4.19Å; K426-E655 IonicContact NZ-OE1 3.19Å; K426-E655 PolarHBondContact NZ-OE1 3.02Å
656	F	96.5	Very high	95.5	Very high	13 Å²	13	54.2 Å²	54.2	6%	0.057	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.7	-173.7	-57.2	-81	0	0	0	111.2	L425 I427 L654 P658 M678 H679 F714	L425-F656 HydrophobicContact CD2-CD2 4.27Å; L425-F656 PolarHBondContact N-O 2.88Å; L425-F656 PolarHBondContact O-N 2.83Å; I427-F656 HydrophobicContact CB-CE2 4.23Å; I427-F656 HydrophobicContact CD1-CD2 4.13Å; I427-F656 HydrophobicContact CD1-CE2 3.76Å; I427-F656 HydrophobicContact CG1-CD2 4.06Å; I427-F656 HydrophobicContact CG1-CE2 3.89Å; L654-F656 HydrophobicContact CB-CD2 4.44Å; L654-F656 HydrophobicContact CB-CE2 3.53Å; L654-F656 HydrophobicContact CB-CZ 3.85Å; L654-F656 HydrophobicContact CD1-CE2 4.39Å; L654-F656 HydrophobicContact CD1-CZ 4.31Å; F656-P658 WeakPolarHBondContact O-CD 3.44Å; F656-M678 HydrophobicContact CB-CB 4.46Å; F656-M678 HydrophobicContact CB-CG 4.21Å; F656-M678 HydrophobicContact CB-SD 3.47Å; F656-M678 WeakPolarHBondContact CB-SD 3.43Å; F656-M678 HydrophobicContact CD1-CG 4.17Å; F656-M678 HydrophobicContact CD1-SD 4.22Å; F656-M678 HydrophobicContact CD2-SD 3.87Å; F656-M678 HydrophobicContact CG-CG 4.15Å; F656-M678 HydrophobicContact CG-SD 3.6Å; F656-M678 VanDerWaalsContact CG-SD 3.6Å; F656-H679 WeakPolarHBondContact CD1-O 3.46Å; F656-H679 WeakPolarHBondContact CE1-O 3.34Å; F656-F714 HydrophobicContact CE1-CE1 4.39Å; F656-F714 HydrophobicContact CE1-CZ 4.46Å; F656-F714 HydrophobicContact CE2-CZ 4.23Å; F656-F714 HydrophobicContact CZ-CE1 4.43Å; F656-F714 HydrophobicContact CZ-CZ 4.16Å
657	K	95.5	Very high	95.6	Very high	184 Å²	184	54.6 Å²	54.6	80%	0.8	26%	0.257	S	S	*	.			trans	-110.3	89.2	169	-69.9	-178.1	178.3	178.8	0	108.7
658	P	96.4	Very high	95.7	Very high	15 Å²	15	59.1 Å²	59.1	10%	0.097	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-76	151.1	-174.8	32	-37.9	0	0	0	112.7	L418 L425 F656 L660 A676 T677 M678	L418-P658 HydrophobicContact CD1-CG 4.43Å; L425-P658 HydrophobicContact CB-CG 3.75Å; L425-P658 HydrophobicContact CD1-CG 4.35Å; F656-P658 WeakPolarHBondContact O-CD 3.44Å; P658-L660 HydrophobicContact CB-CD2 4.3Å; P658-L660 HydrophobicContact CG-CD2 3.94Å; P658-L660 HydrophobicContact CG-CG 4.38Å; P658-A676 HydrophobicContact CB-CB 3.71Å; P658-A676 HydrophobicContact CG-CB 4.26Å; P658-T677 CarbonylContact C-O 3.55Å; P658-T677 WeakPolarHBondContact CA-O 3.44Å; P658-M678 HydrophobicContact CB-CB 4.47Å; P658-M678 HydrophobicContact CB-CE 4Å; P658-M678 HydrophobicContact CB-SD 4.36Å
659	K	94.5	Very high	95.7	Very high	147 Å²	147	55.6 Å²	55.6	64%	0.639	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.4	156.5	-177.7	-176.2	176	-170.8	0	108.2	T677	K659-T677 PolarHBondContact N-O 3.24Å; K659-T677 PolarHBondContact O-N 2.97Å
660	L	93.8	Very high	95.8	Very high	68 Å²	68	58.8 Å²	58.8	36%	0.356	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.4	176.7	-62	178.7	0	0	0	110.9	L418 P658 L674 R675 A676 L718	L418-L660 HydrophobicContact CD1-CD1 4.25Å; L418-L660 HydrophobicContact CD1-CD2 4.18Å; L418-L660 HydrophobicContact CD2-CD1 4.26Å; L418-L660 HydrophobicContact CD2-CD2 4.37Å; P658-L660 HydrophobicContact CB-CD2 4.3Å; P658-L660 HydrophobicContact CG-CD2 3.94Å; P658-L660 HydrophobicContact CG-CG 4.38Å; L660-L674 HydrophobicContact CB-CD1 4.28Å; L660-L674 HydrophobicContact CD2-CD1 4.4Å; L660-R675 WeakPolarHBondContact CA-O 3.16Å; L660-A676 HydrophobicContact CD2-CB 3.84Å; L660-L718 HydrophobicContact CD2-CD1 4.4Å
661	Q	92.9	Very high	95.8	Very high	40 Å²	40	60.5 Å²	60.5	19%	0.187	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	138	172.3	-171.6	174.1	25.4	0	0	109.3	R675 D812	Q661-R675 PolarHBondContact N-O 3.28Å; Q661-R675 PolarHBondContact O-N 2.74Å; Q661-D812 PolarHBondContact NE2-OD1 3.06Å; Q661-D812 VanDerWaalsContact NE2-OD1 3.11Å; Q661-D812 PolarHBondContact NE2-OD2 3.25Å
662	Y	96.3	Very high	95.8	Very high	21 Å²	21	60.4 Å²	60.4	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	143.1	169.2	-68.6	-85.1	0	0	0	110.3	F673 L674 D721 I724 R762 M764 K765 L766 L767	Y662-F673 CarbonylContact C-O 3.59Å; Y662-F673 WeakPolarHBondContact CA-O 3.15Å; Y662-L674 HydrophobicContact CD1-CB 3.99Å; Y662-L674 HydrophobicContact CD1-CD1 4.05Å; Y662-L674 HydrophobicContact CD2-CD1 4.35Å; Y662-L674 HydrophobicContact CE1-CB 3.85Å; Y662-L674 HydrophobicContact CE1-CD1 3.92Å; Y662-L674 HydrophobicContact CE1-CG 4.36Å; Y662-L674 HydrophobicContact CE2-CD1 4.21Å; Y662-L674 HydrophobicContact CG-CD1 4.31Å; Y662-D721 HydrophobicContact CD1-CB 4.35Å; Y662-D721 HydrophobicContact CE1-CB 3.67Å; Y662-D721 WeakPolarHBondContact CE1-OD2 3.29Å; Y662-D721 VanDerWaalsContact CZ-OD2 3.26Å; Y662-D721 PolarHBondContact OH-OD2 2.95Å; Y662-I724 HydrophobicContact CD1-CD1 3.29Å; Y662-I724 HydrophobicContact CD2-CD1 3.8Å; Y662-I724 HydrophobicContact CE1-CD1 3.56Å; Y662-I724 HydrophobicContact CE2-CD1 4.06Å; Y662-I724 HydrophobicContact CG-CD1 3.37Å; Y662-R762 PolarHBondContact OH-NH2 2.83Å; Y662-M764 HydrophobicContact CD2-CE 3.99Å; Y662-M764 HydrophobicContact CE2-CE 3.53Å; Y662-K765 PolarHBondContact N-O 3.22Å; Y662-L766 WeakPolarHBondContact O-CA 3.3Å; Y662-L767 PolarHBondContact O-N 3Å
663	I	97.1	Very high	95.8	Very high	15 Å²	15	63.1 Å²	63.1	8%	0.077	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.8	177.6	-173.8	171.9	0	0	0	110.5	A672 F673 R675 L767 I769	I663-A672 CarbonylContact O-C 3.58Å; I663-A672 WeakPolarHBondContact O-CA 3.18Å; I663-F673 HydrophobicContact CG2-CB 4.29Å; I663-F673 PolarHBondContact N-O 2.82Å; I663-F673 PolarHBondContact O-N 3.24Å; I663-R675 HydrophobicContact CG2-CB 4.5Å; I663-L767 CarbonylContact C-O 3.49Å; I663-L767 VanDerWaalsContact CA-O 3.3Å; I663-L767 WeakPolarHBondContact CA-O 3.49Å; I663-L767 HydrophobicContact CD1-CD2 4.16Å; I663-L767 HydrophobicContact CG1-CB 4.38Å; I663-L767 HydrophobicContact CG1-CD2 4.37Å; I663-L767 HydrophobicContact CG1-CG 4.41Å; I663-I769 HydrophobicContact CD1-CD1 3.81Å; I663-I769 HydrophobicContact CG1-CD1 4.31Å
664	T	97.8	Very high	95.7	Very high	1 Å²	1	59 Å²	59	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.6	170.8	-173.8	0	0	0	0	111.4	P666 K671 V726 L766 L767 V768 I769	T664-P666 HydrophobicContact CG2-CG 3.91Å; T664-K671 VanDerWaalsContact CB-O 3.29Å; T664-K671 WeakPolarHBondContact CB-O 3.48Å; T664-K671 PolarHBondContact OG1-O 2.84Å; T664-V726 HydrophobicContact CG2-CG1 4.42Å; T664-V726 HydrophobicContact CG2-CG2 4.31Å; T664-L766 HydrophobicContact CG2-CD1 4.09Å; T664-L766 HydrophobicContact CG2-CD2 4.44Å; T664-L766 HydrophobicContact CG2-CG 4.44Å; T664-L767 PolarHBondContact N-O 2.93Å; T664-V768 HydrophobicContact CG2-CB 4.09Å; T664-V768 HydrophobicContact CG2-CG1 4.01Å; T664-V768 HydrophobicContact CG2-CG2 3.76Å; T664-I769 PolarHBondContact O-N 2.84Å
665	I	97.1	Very high	95.7	Very high	77 Å²	77	61.7 Å²	61.7	40%	0.395	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	77.3	174.5	-51	-177.9	0	0	0	107.1	K667 Q668 T669 I769	I665-K667 VanDerWaalsContact C-N 3.28Å; I665-K667 PolarHBondContact O-N 2.98Å; I665-K667 VanDerWaalsContact O-N 3.16Å; I665-Q668 HydrophobicContact CG2-CB 4.18Å; I665-Q668 HydrophobicContact CG2-CG 3.86Å; I665-Q668 PolarHBondContact O-N 3.09Å; I665-T669 PolarHBondContact O-N 2.94Å; I665-I769 HydrophobicContact CG1-CB 4.4Å
666	P	96.2	Very high	95.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.013	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.2	-159.9	-25.7	37.5	0	0	0	114.2	T664 Q668 T669 V726 Y728 I754 V768 I769	T664-P666 HydrophobicContact CG2-CG 3.91Å; P666-Q668 VanDerWaalsContact C-N 3.28Å; P666-Q668 PolarHBondContact O-N 3.17Å; P666-T669 WeakPolarHBondContact CA-O 3.44Å; P666-T669 CarbonylContact O-C 2.89Å; P666-V726 HydrophobicContact CB-CG1 3.91Å; P666-V726 HydrophobicContact CG-CG1 3.76Å; P666-Y728 HydrophobicContact CB-CD2 3.53Å; P666-Y728 HydrophobicContact CB-CE2 4.28Å; P666-Y728 HydrophobicContact CB-CG 4Å; P666-I754 HydrophobicContact CB-CG2 4.13Å; P666-I754 HydrophobicContact CG-CD1 4.32Å; P666-I754 HydrophobicContact CG-CG2 3.76Å; P666-V768 HydrophobicContact CG-CG1 4.13Å; P666-I769 VanDerWaalsContact CD-O 3.26Å; P666-I769 WeakPolarHBondContact CD-O 3.45Å
667	K	93.9	Very high	95.7	Very high	64 Å²	64	56.1 Å²	56.1	28%	0.278	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.6	174.3	-170.2	-169.6	168.1	-168.5	0	112.7	I665 Y728 Q771 T841	I665-K667 VanDerWaalsContact C-N 3.28Å; I665-K667 PolarHBondContact O-N 2.98Å; I665-K667 VanDerWaalsContact O-N 3.16Å; K667-Y728 HydrophobicContact CB-CE1 4.03Å; K667-Y728 HydrophobicContact CB-CE2 4.27Å; K667-Y728 HydrophobicContact CG-CE1 4.08Å; K667-Q771 HydrophobicContact CD-CG 3.86Å; K667-T841 PolarHBondContact NZ-OG1 3.12Å; K667-T841 VanDerWaalsContact NZ-OG1 3.07Å
668	Q	94	Very high	95.7	Very high	146 Å²	146	47.9 Å²	47.9	68%	0.682	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-52.4	177.8	-66.4	-66.7	-7.3	0	0	110.5	I665 P666	I665-Q668 HydrophobicContact CG2-CB 4.18Å; I665-Q668 HydrophobicContact CG2-CG 3.86Å; I665-Q668 PolarHBondContact O-N 3.09Å; P666-Q668 VanDerWaalsContact C-N 3.28Å; P666-Q668 PolarHBondContact O-N 3.17Å
669	T	95.3	Very high	95.7	Very high	60 Å²	60	51.5 Å²	51.5	37%	0.368	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	126	173.4	58.1	0	0	0	0	109.4	I665 P666 K671 F673	I665-T669 PolarHBondContact O-N 2.94Å; P666-T669 WeakPolarHBondContact CA-O 3.44Å; P666-T669 CarbonylContact O-C 2.89Å; T669-K671 PolarHBondContact O-N 2.99Å; T669-F673 WeakPolarHBondContact OG1-CE2 3.49Å
670	P	96.3	Very high	95.8	Very high	73 Å²	73	44.5 Å²	44.5	47%	0.474	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	65	176.6	33.3	-36	0	0	0	110.4	V726	P670-V726 HydrophobicContact CB-CG1 4.46Å
671	K	96.4	Very high	95.8	Very high	94 Å²	94	47 Å²	47	41%	0.409	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.9	179.2	-66.9	-174.4	176.3	-172.2	0	109.4	T664 T669 F673 Y720	T664-K671 VanDerWaalsContact CB-O 3.29Å; T664-K671 WeakPolarHBondContact CB-O 3.48Å; T664-K671 PolarHBondContact OG1-O 2.84Å; T669-K671 PolarHBondContact O-N 2.99Å; K671-F673 HydrophobicContact CB-CE2 3.89Å; K671-F673 HydrophobicContact CB-CZ 4.18Å; K671-Y720 HydrophobicContact CB-CD2 4.08Å; K671-Y720 HydrophobicContact CD-CD2 3.8Å; K671-Y720 HydrophobicContact CD-CE2 4.21Å; K671-Y720 HydrophobicContact CD-CG 4.01Å; K671-Y720 HydrophobicContact CG-CD2 4.06Å; K671-Y720 HydrophobicContact CG-CE2 4.49Å
672	A	96.7	Very high	95.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.7	167.8	0	0	0	0	0	110.3	I663 Y720 D721 I724 V726 L766	I663-A672 CarbonylContact O-C 3.58Å; I663-A672 WeakPolarHBondContact O-CA 3.18Å; A672-Y720 CarbonylContact O-C 3.54Å; A672-Y720 VanDerWaalsContact O-CA 3.24Å; A672-Y720 WeakPolarHBondContact O-CA 3.45Å; A672-D721 PolarHBondContact O-N 2.75Å; A672-I724 HydrophobicContact CB-CB 3.69Å; A672-I724 HydrophobicContact CB-CD1 3.86Å; A672-I724 HydrophobicContact CB-CG1 4.33Å; A672-I724 HydrophobicContact CB-CG2 3.68Å; A672-V726 HydrophobicContact CB-CG2 4.23Å; A672-L766 HydrophobicContact CB-CD1 4.02Å
673	F	95.9	Very high	95.6	Very high	64 Å²	64	52.2 Å²	52.2	28%	0.281	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.7	179	-63.6	-96.3	0	0	0	109.6	Y662 I663 T669 K671 G719	Y662-F673 CarbonylContact C-O 3.59Å; Y662-F673 WeakPolarHBondContact CA-O 3.15Å; I663-F673 HydrophobicContact CG2-CB 4.29Å; I663-F673 PolarHBondContact N-O 2.82Å; I663-F673 PolarHBondContact O-N 3.24Å; T669-F673 WeakPolarHBondContact OG1-CE2 3.49Å; K671-F673 HydrophobicContact CB-CE2 3.89Å; K671-F673 HydrophobicContact CB-CZ 4.18Å; F673-G719 CarbonylContact C-O 3.59Å; F673-G719 VanDerWaalsContact CA-O 3.26Å; F673-G719 WeakPolarHBondContact CA-O 3.38Å
674	L	95.2	Very high	95.4	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.7	173.2	-179.8	61	0	0	0	109.3	L418 L660 Y662 I695 L718 G719	L418-L674 HydrophobicContact CD2-CD2 3.69Å; L660-L674 HydrophobicContact CB-CD1 4.28Å; L660-L674 HydrophobicContact CD2-CD1 4.4Å; Y662-L674 HydrophobicContact CD1-CB 3.99Å; Y662-L674 HydrophobicContact CD1-CD1 4.05Å; Y662-L674 HydrophobicContact CD2-CD1 4.35Å; Y662-L674 HydrophobicContact CE1-CB 3.85Å; Y662-L674 HydrophobicContact CE1-CD1 3.92Å; Y662-L674 HydrophobicContact CE1-CG 4.36Å; Y662-L674 HydrophobicContact CE2-CD1 4.21Å; Y662-L674 HydrophobicContact CG-CD1 4.31Å; L674-I695 HydrophobicContact CD2-CD1 4.02Å; L674-L718 HydrophobicContact CB-CB 4.24Å; L674-L718 HydrophobicContact CD2-CB 4.28Å; L674-L718 HydrophobicContact CD2-CD1 4Å; L674-L718 HydrophobicContact CG-CB 4.26Å; L674-L718 HydrophobicContact CG-CD1 4.2Å; L674-L718 PolarHBondContact O-N 2.82Å; L674-G719 PolarHBondContact N-O 2.88Å
675	R	95.2	Very high	95.1	Very high	69 Å²	69	54.1 Å²	54.1	26%	0.26	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.5	171.7	178.5	177.3	-74.8	153.6	-0.9	110.1	L660 Q661 I663 T715 E717	L660-R675 WeakPolarHBondContact CA-O 3.16Å; Q661-R675 PolarHBondContact N-O 3.28Å; Q661-R675 PolarHBondContact O-N 2.74Å; I663-R675 HydrophobicContact CG2-CB 4.5Å; R675-T715 HydrophobicContact CG-CG2 4.38Å; R675-E717 IonicContact CZ-OE1 2.65Å; R675-E717 IonicContact NE-OE1 3.59Å; R675-E717 PolarHBondContact NE-OE1 2.92Å; R675-E717 VanDerWaalsContact NE-OE1 3.1Å; R675-E717 IonicContact NH2-OE1 3.92Å; R675-E717 PolarHBondContact NH2-OE1 3.21Å; R675-E717 VanDerWaalsContact NH2-OE1 3.1Å
676	A	95.8	Very high	95	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.3	165.4	0	0	0	0	0	109.8	L425 P658 L660 M678 T715 C716 L718	L425-A676 HydrophobicContact CD1-CB 3.78Å; P658-A676 HydrophobicContact CB-CB 3.71Å; P658-A676 HydrophobicContact CG-CB 4.26Å; L660-A676 HydrophobicContact CD2-CB 3.84Å; A676-M678 HydrophobicContact CB-CE 3.76Å; A676-T715 CarbonylContact O-C 3.54Å; A676-T715 VanDerWaalsContact O-CA 3.26Å; A676-T715 WeakPolarHBondContact O-CA 3.47Å; A676-C716 HydrophobicContact CB-CB 4.49Å; A676-C716 PolarHBondContact N-O 2.82Å; A676-C716 PolarHBondContact O-N 3.36Å; A676-L718 HydrophobicContact CB-CD1 3.88Å; A676-L718 HydrophobicContact CB-CG 4.25Å
677	T	96.4	Very high	94.9	Very high	26 Å²	26	51.4 Å²	51.4	16%	0.16	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.7	175.1	-52.2	0	0	0	0	109.6	P658 K659 E713 F714 T715	P658-T677 CarbonylContact C-O 3.55Å; P658-T677 WeakPolarHBondContact CA-O 3.44Å; K659-T677 PolarHBondContact N-O 3.24Å; K659-T677 PolarHBondContact O-N 2.97Å; T677-E713 HydrophobicContact CG2-CG 3.93Å; T677-E713 WeakPolarHBondContact CG2-OE1 3.46Å; T677-F714 WeakPolarHBondContact CA-O 3.26Å; T677-T715 HydrophobicContact CG2-CG2 4.01Å
678	M	96	Very high	94.9	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.059	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	166.3	-179.3	70.3	-145.6	88.7	0	0	112	L425 F656 P658 A676 E713 F714	L425-M678 HydrophobicContact CD1-CE 4.16Å; L425-M678 HydrophobicContact CD2-CE 4.19Å; L425-M678 HydrophobicContact CD2-SD 3.95Å; F656-M678 HydrophobicContact CB-CB 4.46Å; F656-M678 HydrophobicContact CB-CG 4.21Å; F656-M678 HydrophobicContact CB-SD 3.47Å; F656-M678 WeakPolarHBondContact CB-SD 3.43Å; F656-M678 HydrophobicContact CD1-CG 4.17Å; F656-M678 HydrophobicContact CD1-SD 4.22Å; F656-M678 HydrophobicContact CD2-SD 3.87Å; F656-M678 HydrophobicContact CG-CG 4.15Å; F656-M678 HydrophobicContact CG-SD 3.6Å; F656-M678 VanDerWaalsContact CG-SD 3.6Å; P658-M678 HydrophobicContact CB-CB 4.47Å; P658-M678 HydrophobicContact CB-CE 4Å; P658-M678 HydrophobicContact CB-SD 4.36Å; A676-M678 HydrophobicContact CB-CE 3.76Å; M678-E713 WeakPolarHBondContact O-CA 3.4Å; M678-F714 HydrophobicContact CE-CE2 4.13Å; M678-F714 HydrophobicContact CE-CZ 4.26Å; M678-F714 HydrophobicContact CG-CD1 3.99Å; M678-F714 HydrophobicContact CG-CE1 3.34Å; M678-F714 HydrophobicContact CG-CE2 4.08Å; M678-F714 HydrophobicContact CG-CZ 3.4Å; M678-F714 VanDerWaalsContact CG-CZ 3.4Å; M678-F714 PolarHBondContact N-O 2.94Å; M678-F714 VanDerWaalsContact O-CD1 3.32Å; M678-F714 WeakPolarHBondContact O-CD1 3.26Å; M678-F714 PolarHBondContact O-N 2.86Å; M678-F714 HydrophobicContact SD-CE1 4.22Å; M678-F714 HydrophobicContact SD-CE2 4.1Å; M678-F714 HydrophobicContact SD-CZ 3.64Å
679	H	96.2	Very high	94.9	Very high	90 Å²	90	46.4 Å²	46.4	42%	0.417	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	145.1	168.9	-72.7	-94.3	0	0	0	111.1	F656 L681 Q711 E712	F656-H679 WeakPolarHBondContact CD1-O 3.46Å; F656-H679 WeakPolarHBondContact CE1-O 3.34Å; H679-L681 VanDerWaalsContact C-N 3.28Å; H679-L681 HydrophobicContact CB-CD2 3.98Å; H679-L681 HydrophobicContact CB-CG 4.16Å; H679-L681 PolarHBondContact O-N 3.45Å; H679-Q711 PolarHBondContact ND1-O 3.05Å; H679-Q711 VanDerWaalsContact ND1-O 3.11Å; H679-E712 CarbonylContact C-O 3.49Å; H679-E712 WeakPolarHBondContact CA-O 3.49Å
680	N	96.3	Very high	94.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.			trans	-75.3	82.3	170.3	-179.1	18	0	0	0	110.6	S682 Y684 T708 A709 Q711 E712 F714	N680-S682 PolarHBondContact O-N 3.4Å; N680-S682 PolarHBondContact OD1-N 3.48Å; N680-S682 PolarHBondContact OD1-OG 3.13Å; N680-Y684 PolarHBondContact ND2-O 2.8Å; N680-Y684 PolarHBondContact OD1-O 2.77Å; N680-T708 HydrophobicContact CB-CG2 3.85Å; N680-T708 PolarHBondContact ND2-O 2.84Å; N680-A709 WeakPolarHBondContact CB-O 3.36Å; N680-A709 PolarHBondContact ND2-O 3.11Å; N680-Q711 WeakPolarHBondContact O-CA 3.47Å; N680-Q711 PolarHBondContact O-N 2.78Å; N680-E712 PolarHBondContact N-O 3.01Å; N680-F714 HydrophobicContact CB-CD1 4.14Å; N680-F714 HydrophobicContact CB-CE1 3.94Å
681	L	94.4	Very high	95	Very high	122 Å²	122	46.2 Å²	46.2	64%	0.639	22%	0.221	S	C	*	.			trans	-81.3	10.1	176.3	-57	178.7	0	0	0	113.5	H679	H679-L681 VanDerWaalsContact C-N 3.28Å; H679-L681 HydrophobicContact CB-CD2 3.98Å; H679-L681 HydrophobicContact CB-CG 4.16Å; H679-L681 PolarHBondContact O-N 3.45Å
682	S	93.5	Very high	95	Very high	17 Å²	17	43 Å²	43	12%	0.119	21%	0.211	C	C	.	.	S	Bend	trans	-87.7	166.2	178.3	81	0	0	0	0	112.3	N680 Y684 V710	N680-S682 PolarHBondContact O-N 3.4Å; N680-S682 PolarHBondContact OD1-N 3.48Å; N680-S682 PolarHBondContact OD1-OG 3.13Å; S682-Y684 PolarHBondContact O-N 3.24Å; S682-Y684 PolarHBondContact OG-N 3.28Å; S682-Y684 PolarHBondContact OG-O 3.4Å; S682-Y684 VanDerWaalsContact OG-O 3.13Å; S682-V710 WeakPolarHBondContact O-CG1 3.42Å
683	E	91.3	Very high	95.1	Very high	153 Å²	153	43.2 Å²	43.2	72%	0.715	21%	0.212	S	C	*	.	S	Bend	trans	-70.9	-13.3	171.5	65.7	-167.6	158.2	0	0	113.5
684	Y	92.5	Very high	95.1	Very high	46 Å²	46	42.3 Å²	42.3	18%	0.18	21%	0.207	C	C	.	.	S	Bend	trans	-99.3	132.9	-175.7	-54.2	-78	0	0	0	111.4	F631 I651 L654 N680 S682	F631-Y684 AromaticContact CD1-CD1 3.7Å; F631-Y684 HydrophobicContact CD1-CD1 3.7Å; F631-Y684 HydrophobicContact CD1-CE1 4.22Å; F631-Y684 AromaticContact CE1-CD1 3.86Å; F631-Y684 HydrophobicContact CE1-CD1 3.86Å; I651-Y684 HydrophobicContact CG2-CD1 4.1Å; I651-Y684 HydrophobicContact CG2-CE1 4.06Å; L654-Y684 HydrophobicContact CD2-CD2 3.63Å; L654-Y684 HydrophobicContact CD2-CE2 4.02Å; N680-Y684 PolarHBondContact ND2-O 2.8Å; N680-Y684 PolarHBondContact OD1-O 2.77Å; S682-Y684 PolarHBondContact O-N 3.24Å; S682-Y684 PolarHBondContact OG-N 3.28Å; S682-Y684 PolarHBondContact OG-O 3.4Å; S682-Y684 VanDerWaalsContact OG-O 3.13Å
685	A	92.7	Very high	95.1	Very high	10 Å²	10	43.5 Å²	43.5	8%	0.083	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-68.8	131.3	156.1	0	0	0	0	0	109.1	F626 L629 T708	F626-A685 HydrophobicContact CD1-CB 4.07Å; F626-A685 HydrophobicContact CE1-CB 3.9Å; F626-A685 HydrophobicContact CE2-CB 4.34Å; F626-A685 HydrophobicContact CG-CB 4.4Å; F626-A685 HydrophobicContact CZ-CB 4.05Å; L629-A685 HydrophobicContact CD1-CB 3.73Å; L629-A685 HydrophobicContact CD2-CB 4.39Å; A685-T708 WeakPolarHBondContact CA-O 3.35Å
686	L	94.1	Very high	94.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-84	122.5	177.6	-52.1	175.4	0	0	0	107.8	L654 L705 A707 T708 F714	L654-L686 HydrophobicContact CD1-CD2 3.49Å; L654-L686 VanDerWaalsContact CD1-CD2 3.49Å; L686-L705 HydrophobicContact CB-CD2 4.27Å; L686-L705 HydrophobicContact CD1-CD2 4.27Å; L686-A707 CarbonylContact O-C 3.53Å; L686-A707 VanDerWaalsContact O-CA 3.3Å; L686-A707 WeakPolarHBondContact O-CA 3.48Å; L686-T708 PolarHBondContact N-O 2.96Å; L686-T708 PolarHBondContact O-N 3.46Å; L686-F714 HydrophobicContact CD1-CD2 4.43Å; L686-F714 HydrophobicContact CD1-CE1 4.03Å; L686-F714 HydrophobicContact CD1-CE2 3.93Å; L686-F714 HydrophobicContact CD1-CZ 3.71Å
687	L	93.9	Very high	94.8	Very high	22 Å²	22	49.4 Å²	49.4	12%	0.115	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-79.8	161.1	175.1	-67	177.5	0	0	0	111.6	W410 P412 Y414 Y429 T450 F626 L629 F631 G689	W410-L687 HydrophobicContact CH2-CD1 3.5Å; W410-L687 VanDerWaalsContact CH2-CD1 3.5Å; W410-L687 HydrophobicContact CZ2-CD1 4.2Å; W410-L687 HydrophobicContact CZ3-CD1 4.22Å; P412-L687 HydrophobicContact CB-CB 3.87Å; P412-L687 HydrophobicContact CB-CD1 4.34Å; P412-L687 HydrophobicContact CG-CB 3.81Å; P412-L687 HydrophobicContact CG-CD1 4.33Å; Y414-L687 PolarHBondContact OH-N 3.1Å; Y414-L687 VanDerWaalsContact OH-N 3.08Å; Y414-L687 PolarHBondContact OH-O 3.1Å; Y429-L687 WeakPolarHBondContact OH-CD1 3.49Å; Y429-L687 VanDerWaalsContact OH-CG 3.31Å; Y429-L687 WeakPolarHBondContact OH-CG 3.41Å; T450-L687 HydrophobicContact CG2-CD1 3.51Å; T450-L687 HydrophobicContact CG2-CD2 4.19Å; T450-L687 HydrophobicContact CG2-CG 4.47Å; F626-L687 HydrophobicContact CD2-CD2 3.75Å; F626-L687 HydrophobicContact CE2-CD2 4.04Å; L629-L687 HydrophobicContact CD1-CD2 3.92Å; L629-L687 HydrophobicContact CD1-CG 4.49Å; F631-L687 HydrophobicContact CE2-CD1 4.15Å; F631-L687 HydrophobicContact CZ-CD1 4.4Å; L687-G689 PolarHBondContact O-N 3.05Å
688	E	94.6	Very high	94.7	Very high	95 Å²	95	53.4 Å²	53.4	44%	0.444	27%	0.27	S	S	.	.	S	Bend	trans	-69.7	121.9	172.3	-174.1	-179.5	177	0	0	110.1	P412 K704 L705 A707	P412-E688 VanDerWaalsContact CG-O 3.24Å; P412-E688 WeakPolarHBondContact CG-O 3.47Å; E688-K704 WeakPolarHBondContact OE1-CE 3.49Å; E688-K704 IonicContact OE1-NZ 2.9Å; E688-K704 PolarHBondContact OE1-NZ 2.84Å; E688-L705 WeakPolarHBondContact CA-O 3.42Å; E688-A707 HydrophobicContact CB-CB 4.26Å
689	G	94.4	Very high	94.6	Very high	9 Å²	9	58.2 Å²	58.2	9%	0.093	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	168	-173.7	0	0	0	0	0	114.9	L687 K704 L705	L687-G689 PolarHBondContact O-N 3.05Å; G689-K704 CarbonylContact O-C 3.55Å; G689-K704 WeakPolarHBondContact O-CA 3.44Å; G689-L705 PolarHBondContact N-O 2.85Å; G689-L705 VanDerWaalsContact N-O 3.1Å; G689-L705 PolarHBondContact O-N 2.82Å
690	Q	95.8	Very high	94.5	Very high	128 Å²	128	57.2 Å²	57.2	60%	0.598	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	140.4	176.3	-69.6	-170.1	26.1	0	0	111.3	S413 Y414	S413-Q690 CarbonylContact C-O 3.54Å; S413-Q690 WeakPolarHBondContact CA-O 3.14Å; Y414-Q690 PolarHBondContact N-O 2.85Å
691	A	97	Very high	94.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.9	179.9	0	0	0	0	0	111.8	Y414 I416 K702 T703	Y414-A691 CarbonylContact O-C 3.58Å; Y414-A691 VanDerWaalsContact O-CA 3.31Å; Y414-A691 WeakPolarHBondContact O-CA 3.27Å; I416-A691 HydrophobicContact CD1-CB 3.6Å; I416-A691 HydrophobicContact CG1-CB 4.02Å; A691-K702 CarbonylContact O-C 3.52Å; A691-K702 VanDerWaalsContact O-CA 3.3Å; A691-K702 WeakPolarHBondContact O-CA 3.48Å; A691-T703 HydrophobicContact CB-CG2 3.8Å; A691-T703 PolarHBondContact N-O 3.47Å; A691-T703 PolarHBondContact O-N 3.19Å
692	S	97.6	Very high	94.3	Very high	27 Å²	27	59.6 Å²	59.6	19%	0.189	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.1	167.6	-59.5	0	0	0	0	109.1	Y414 D415 I416	Y414-S692 PolarHBondContact O-N 2.8Å; D415-S692 CarbonylContact C-O 3.46Å; D415-S692 WeakPolarHBondContact CA-O 3.48Å; I416-S692 PolarHBondContact N-O 2.81Å
693	V	97.6	Very high	94.4	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.2	-176.9	-176.8	0	0	0	0	111	I416 I700 G701 T703 L718	I416-V693 CarbonylContact O-C 3.58Å; I416-V693 WeakPolarHBondContact O-CA 3.45Å; V693-I700 HydrophobicContact CG1-CB 4.4Å; V693-I700 PolarHBondContact O-N 2.89Å; V693-G701 PolarHBondContact N-O 3.49Å; V693-T703 HydrophobicContact CG2-CG2 3.58Å; V693-L718 HydrophobicContact CG1-CB 4.09Å; V693-L718 HydrophobicContact CG1-CD2 4.12Å; V693-L718 WeakPolarHBondContact CG1-O 3.35Å
694	Y	97	Very high	94.5	Very high	46 Å²	46	59 Å²	59	18%	0.18	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.5	172.9	-53.7	-98.4	0	0	0	110.7	D415 I416 R417 L418 N698 F699	D415-Y694 HydrophobicContact CB-CE2 4.28Å; I416-Y694 PolarHBondContact O-N 2.82Å; R417-Y694 WeakPolarHBondContact CA-O 3.17Å; R417-Y694 HydrophobicContact CG-CD2 4Å; R417-Y694 HydrophobicContact CG-CG 4.36Å; L418-Y694 PolarHBondContact N-O 2.88Å; Y694-N698 CarbonylContact C-O 3.49Å; Y694-N698 WeakPolarHBondContact CA-O 3.21Å; Y694-F699 HydrophobicContact CD1-CB 3.95Å; Y694-F699 HydrophobicContact CD1-CD2 4.39Å; Y694-F699 HydrophobicContact CE1-CB 3.79Å; Y694-F699 AromaticContact CE1-CD2 3.89Å; Y694-F699 HydrophobicContact CE1-CD2 3.89Å; Y694-F699 HydrophobicContact CE1-CG 4.32Å; Y694-F699 AromaticContact CZ-CD2 3.96Å
695	I	94.3	Very high	94.6	Very high	37 Å²	37	57 Å²	57	19%	0.19	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.7	169.4	-60.6	176.2	0	0	0	107.5	L418 L674 N697 N698 I700 L718	L418-I695 HydrophobicContact CB-CG1 4.26Å; L418-I695 HydrophobicContact CD2-CG1 4.37Å; L418-I695 HydrophobicContact CD2-CG2 4.39Å; L674-I695 HydrophobicContact CD2-CD1 4.02Å; I695-N697 PolarHBondContact O-N 2.96Å; I695-N698 PolarHBondContact N-O 3.11Å; I695-N698 WeakPolarHBondContact O-CB 3.37Å; I695-N698 PolarHBondContact O-N 3.49Å; I695-I700 HydrophobicContact CB-CD1 4.17Å; I695-I700 HydrophobicContact CB-CG1 3.97Å; I695-I700 HydrophobicContact CD1-CD1 4.45Å; I695-I700 HydrophobicContact CD1-CG1 3.94Å; I695-I700 HydrophobicContact CG1-CD1 4.41Å; I695-I700 HydrophobicContact CG1-CG1 3.76Å; I695-L718 HydrophobicContact CD1-CB 4.37Å
696	D	92.6	Very high	94.7	Very high	64 Å²	64	60.2 Å²	60.2	34%	0.342	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	46.9	-177	-59.9	-44.1	0	0	0	112.6	L418 S419 S420 N698	L418-D696 PolarHBondContact O-N 2.93Å; S419-D696 WeakPolarHBondContact CA-OD1 3.35Å; S420-D696 WeakPolarHBondContact CB-OD2 3.4Å; S420-D696 PolarHBondContact N-OD1 2.95Å; S420-D696 VanDerWaalsContact OG-CG 3.26Å; S420-D696 PolarHBondContact OG-OD1 2.78Å; S420-D696 PolarHBondContact OG-OD2 2.9Å; D696-N698 PolarHBondContact O-N 2.86Å; D696-N698 VanDerWaalsContact O-N 3.16Å; D696-N698 PolarHBondContact O-ND2 3.11Å
697	N	91.9	Very high	94.7	Very high	129 Å²	129	61.2 Å²	61.2	69%	0.69	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	-3.7	-174.7	-62.5	-39.6	0	0	0	117.1	I695	I695-N697 PolarHBondContact O-N 2.96Å
698	N	94.4	Very high	94.7	Very high	109 Å²	109	60.3 Å²	60.3	58%	0.583	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.2	174.4	-59.2	-66.3	0	0	0	110.8	Y694 I695 D696 I700	Y694-N698 CarbonylContact C-O 3.49Å; Y694-N698 WeakPolarHBondContact CA-O 3.21Å; I695-N698 PolarHBondContact N-O 3.11Å; I695-N698 WeakPolarHBondContact O-CB 3.37Å; I695-N698 PolarHBondContact O-N 3.49Å; D696-N698 PolarHBondContact O-N 2.86Å; D696-N698 VanDerWaalsContact O-N 3.16Å; D696-N698 PolarHBondContact O-ND2 3.11Å; N698-I700 PolarHBondContact O-N 2.83Å
699	F	95.3	Very high	94.6	Very high	114 Å²	114	57.3 Å²	57.3	50%	0.5	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.6	174.8	176.1	-104.3	0	0	0	110.7	Y694 G701 K702	Y694-F699 HydrophobicContact CD1-CB 3.95Å; Y694-F699 HydrophobicContact CD1-CD2 4.39Å; Y694-F699 HydrophobicContact CE1-CB 3.79Å; Y694-F699 AromaticContact CE1-CD2 3.89Å; Y694-F699 HydrophobicContact CE1-CD2 3.89Å; Y694-F699 HydrophobicContact CE1-CG 4.32Å; Y694-F699 AromaticContact CZ-CD2 3.96Å; F699-G701 WeakPolarHBondContact CE2-O 3.3Å; F699-G701 VanDerWaalsContact CZ-C 3.48Å; F699-G701 VanDerWaalsContact CZ-CA 3.48Å; F699-K702 HydrophobicContact CZ-CG 4.27Å
700	I	93.8	Very high	94.5	Very high	69 Å²	69	60.1 Å²	60.1	35%	0.354	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-34.3	-178.7	-53	-56.6	0	0	0	111.7	V693 I695 N698	V693-I700 HydrophobicContact CG1-CB 4.4Å; V693-I700 PolarHBondContact O-N 2.89Å; I695-I700 HydrophobicContact CB-CD1 4.17Å; I695-I700 HydrophobicContact CB-CG1 3.97Å; I695-I700 HydrophobicContact CD1-CD1 4.45Å; I695-I700 HydrophobicContact CD1-CG1 3.94Å; I695-I700 HydrophobicContact CG1-CD1 4.41Å; I695-I700 HydrophobicContact CG1-CG1 3.76Å; N698-I700 PolarHBondContact O-N 2.83Å
701	G	92.8	Very high	94.4	Very high	23 Å²	23	59.6 Å²	59.6	24%	0.237	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-167.2	-179.1	0	0	0	0	0	113.3	V693 F699	V693-G701 PolarHBondContact N-O 3.49Å; F699-G701 WeakPolarHBondContact CE2-O 3.3Å; F699-G701 VanDerWaalsContact CZ-C 3.48Å; F699-G701 VanDerWaalsContact CZ-CA 3.48Å
702	K	94.3	Very high	94.4	Very high	148 Å²	148	62.9 Å²	62.9	64%	0.643	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.8	172.4	-66.1	-176.6	177.9	-176.9	0	110.4	A691 F699	A691-K702 CarbonylContact O-C 3.52Å; A691-K702 VanDerWaalsContact O-CA 3.3Å; A691-K702 WeakPolarHBondContact O-CA 3.48Å; F699-K702 HydrophobicContact CZ-CG 4.27Å
703	T	94.6	Very high	94.3	Very high	35 Å²	35	67.3 Å²	67.3	22%	0.215	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	-178.2	171.4	-166.3	0	0	0	0	109.7	I416 A691 V693	I416-T703 HydrophobicContact CD1-CG2 4.31Å; A691-T703 HydrophobicContact CB-CG2 3.8Å; A691-T703 PolarHBondContact N-O 3.47Å; A691-T703 PolarHBondContact O-N 3.19Å; V693-T703 HydrophobicContact CG2-CG2 3.58Å
704	K	94	Very high	94.2	Very high	123 Å²	123	67.7 Å²	67.7	54%	0.535	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122	175.9	-172.3	178.5	177	-171.9	0	109.1	E688 G689	E688-K704 WeakPolarHBondContact OE1-CE 3.49Å; E688-K704 IonicContact OE1-NZ 2.9Å; E688-K704 PolarHBondContact OE1-NZ 2.84Å; G689-K704 CarbonylContact O-C 3.55Å; G689-K704 WeakPolarHBondContact O-CA 3.44Å
705	L	94.7	Very high	94.1	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.016	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.1	173.4	-167.3	65	0	0	0	109.1	Y414 L686 E688 G689 F714 C716	Y414-L705 HydrophobicContact CD1-CD2 3.85Å; Y414-L705 HydrophobicContact CD2-CB 4.05Å; Y414-L705 HydrophobicContact CD2-CD2 3.91Å; Y414-L705 HydrophobicContact CE1-CD2 3.72Å; Y414-L705 HydrophobicContact CE2-CB 4.16Å; Y414-L705 HydrophobicContact CE2-CD2 3.82Å; Y414-L705 HydrophobicContact CG-CD2 3.95Å; L686-L705 HydrophobicContact CB-CD2 4.27Å; L686-L705 HydrophobicContact CD1-CD2 4.27Å; E688-L705 WeakPolarHBondContact CA-O 3.42Å; G689-L705 PolarHBondContact N-O 2.85Å; G689-L705 VanDerWaalsContact N-O 3.1Å; G689-L705 PolarHBondContact O-N 2.82Å; L705-F714 HydrophobicContact CD1-CD2 4.01Å; L705-F714 HydrophobicContact CD1-CE2 4.09Å; L705-C716 VanDerWaalsContact CD1-SG 3.54Å
706	S	93.4	Very high	94.1	Very high	78 Å²	78	66.7 Å²	66.7	55%	0.545	35%	0.352	S	S	.	.			trans	-92.2	151.8	179.2	-62.9	0	0	0	0	111.6	T708	S706-T708 PolarHBondContact O-N 3.3Å; S706-T708 VanDerWaalsContact O-N 3.16Å; S706-T708 PolarHBondContact O-OG1 3.03Å
707	A	94	Very high	94.2	Very high	21 Å²	21	66.4 Å²	66.4	17%	0.174	35%	0.349	C	S	.	.			trans	-57.3	116	175.8	0	0	0	0	0	111.3	N624 F626 L686 E688	N624-A707 HydrophobicContact CB-CB 4.13Å; N624-A707 PolarHBondContact ND2-O 3.48Å; F626-A707 HydrophobicContact CE2-CB 3.89Å; F626-A707 HydrophobicContact CZ-CB 4.27Å; L686-A707 CarbonylContact O-C 3.53Å; L686-A707 VanDerWaalsContact O-CA 3.3Å; L686-A707 WeakPolarHBondContact O-CA 3.48Å; E688-A707 HydrophobicContact CB-CB 4.26Å
708	T	94.2	Very high	94.3	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.025	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-129.8	118.1	-173	-51.4	0	0	0	0	110.7	N680 A685 L686 S706 E712 F714	N680-T708 HydrophobicContact CB-CG2 3.85Å; N680-T708 PolarHBondContact ND2-O 2.84Å; A685-T708 WeakPolarHBondContact CA-O 3.35Å; L686-T708 PolarHBondContact N-O 2.96Å; L686-T708 PolarHBondContact O-N 3.46Å; S706-T708 PolarHBondContact O-N 3.3Å; S706-T708 VanDerWaalsContact O-N 3.16Å; S706-T708 PolarHBondContact O-OG1 3.03Å; T708-E712 WeakPolarHBondContact CA-OE2 3.49Å; T708-E712 HydrophobicContact CG2-CB 3.84Å; T708-E712 HydrophobicContact CG2-CG 4.2Å; T708-F714 HydrophobicContact CG2-CB 3.64Å; T708-F714 HydrophobicContact CG2-CD1 3.71Å; T708-F714 HydrophobicContact CG2-CG 3.86Å; T708-F714 WeakPolarHBondContact OG1-CB 3.45Å
709	A	93.5	Very high	94.2	Very high	31 Å²	31	56.2 Å²	56.2	26%	0.256	30%	0.3	S	S	.	.			trans	-66.1	166.1	175.3	0	0	0	0	0	112.2	F626 N680 E712	F626-A709 HydrophobicContact CE1-CB 3.81Å; N680-A709 WeakPolarHBondContact CB-O 3.36Å; N680-A709 PolarHBondContact ND2-O 3.11Å; A709-E712 HydrophobicContact CB-CB 4.06Å; A709-E712 WeakPolarHBondContact CB-OE2 3.41Å; A709-E712 PolarHBondContact N-OE2 2.83Å; A709-E712 WeakPolarHBondContact O-CB 3.32Å; A709-E712 PolarHBondContact O-N 2.82Å
710	V	92.9	Very high	94.1	Very high	68 Å²	68	55.9 Å²	55.9	41%	0.412	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	138.4	169	177.7	0	0	0	0	109.1	S682 E712	S682-V710 WeakPolarHBondContact O-CG1 3.42Å; V710-E712 PolarHBondContact O-N 3.4Å
711	Q	93.7	Very high	94	Very high	118 Å²	118	53.4 Å²	53.4	55%	0.551	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	-7.6	-169.9	-52.3	-56	-48.2	0	0	117.4	H679 N680	H679-Q711 PolarHBondContact ND1-O 3.05Å; H679-Q711 VanDerWaalsContact ND1-O 3.11Å; N680-Q711 WeakPolarHBondContact O-CA 3.47Å; N680-Q711 PolarHBondContact O-N 2.78Å
712	E	95	Very high	94	Very high	69 Å²	69	56.2 Å²	56.2	32%	0.322	30%	0.298	S	S	.	.			trans	-69.6	144.7	178.6	-172.2	173.9	-163	0	0	111.9	N624 H679 N680 T708 A709 V710	N624-E712 PolarHBondContact ND2-OE1 3.1Å; N624-E712 PolarHBondContact ND2-OE2 3.31Å; N624-E712 VanDerWaalsContact ND2-OE2 3.09Å; H679-E712 CarbonylContact C-O 3.49Å; H679-E712 WeakPolarHBondContact CA-O 3.49Å; N680-E712 PolarHBondContact N-O 3.01Å; T708-E712 WeakPolarHBondContact CA-OE2 3.49Å; T708-E712 HydrophobicContact CG2-CB 3.84Å; T708-E712 HydrophobicContact CG2-CG 4.2Å; A709-E712 HydrophobicContact CB-CB 4.06Å; A709-E712 WeakPolarHBondContact CB-OE2 3.41Å; A709-E712 PolarHBondContact N-OE2 2.83Å; A709-E712 WeakPolarHBondContact O-CB 3.32Å; A709-E712 PolarHBondContact O-N 2.82Å; V710-E712 PolarHBondContact O-N 3.4Å
713	E	96.5	Very high	93.9	Very high	120 Å²	120	49.4 Å²	49.4	56%	0.561	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	132.3	172.1	-172.3	-178.6	-157.5	0	0	109.8	T677 M678	T677-E713 HydrophobicContact CG2-CG 3.93Å; T677-E713 WeakPolarHBondContact CG2-OE1 3.46Å; M678-E713 WeakPolarHBondContact O-CA 3.4Å
714	F	96	Very high	94	Very high	12 Å²	12	47.9 Å²	47.9	5%	0.053	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	160.7	177.1	71.5	-75.5	0	0	0	112.8	I427 F656 T677 M678 N680 L686 L705 T708	I427-F714 HydrophobicContact CD1-CE2 3.81Å; I427-F714 HydrophobicContact CD1-CZ 3.91Å; F656-F714 HydrophobicContact CE1-CE1 4.39Å; F656-F714 HydrophobicContact CE1-CZ 4.46Å; F656-F714 HydrophobicContact CE2-CZ 4.23Å; F656-F714 HydrophobicContact CZ-CE1 4.43Å; F656-F714 HydrophobicContact CZ-CZ 4.16Å; T677-F714 WeakPolarHBondContact CA-O 3.26Å; M678-F714 HydrophobicContact CE-CE2 4.13Å; M678-F714 HydrophobicContact CE-CZ 4.26Å; M678-F714 HydrophobicContact CG-CD1 3.99Å; M678-F714 HydrophobicContact CG-CE1 3.34Å; M678-F714 HydrophobicContact CG-CE2 4.08Å; M678-F714 HydrophobicContact CG-CZ 3.4Å; M678-F714 VanDerWaalsContact CG-CZ 3.4Å; M678-F714 PolarHBondContact N-O 2.94Å; M678-F714 VanDerWaalsContact O-CD1 3.32Å; M678-F714 WeakPolarHBondContact O-CD1 3.26Å; M678-F714 PolarHBondContact O-N 2.86Å; M678-F714 HydrophobicContact SD-CE1 4.22Å; M678-F714 HydrophobicContact SD-CE2 4.1Å; M678-F714 HydrophobicContact SD-CZ 3.64Å; N680-F714 HydrophobicContact CB-CD1 4.14Å; N680-F714 HydrophobicContact CB-CE1 3.94Å; L686-F714 HydrophobicContact CD1-CD2 4.43Å; L686-F714 HydrophobicContact CD1-CE1 4.03Å; L686-F714 HydrophobicContact CD1-CE2 3.93Å; L686-F714 HydrophobicContact CD1-CZ 3.71Å; L705-F714 HydrophobicContact CD1-CD2 4.01Å; L705-F714 HydrophobicContact CD1-CE2 4.09Å; T708-F714 HydrophobicContact CG2-CB 3.64Å; T708-F714 HydrophobicContact CG2-CD1 3.71Å; T708-F714 HydrophobicContact CG2-CG 3.86Å; T708-F714 WeakPolarHBondContact OG1-CB 3.45Å
715	T	95	Very high	94.2	Very high	61 Å²	61	47.7 Å²	47.7	37%	0.374	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.3	178.4	55.3	0	0	0	0	111.5	R675 A676 T677	R675-T715 HydrophobicContact CG-CG2 4.38Å; A676-T715 CarbonylContact O-C 3.54Å; A676-T715 VanDerWaalsContact O-CA 3.26Å; A676-T715 WeakPolarHBondContact O-CA 3.47Å; T677-T715 HydrophobicContact CG2-CG2 4.01Å
716	C	94.2	Very high	94.4	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.9	170.4	-61.1	0	0	0	0	110	I416 A676 L705 L718	I416-C716 HydrophobicContact CD1-CB 4.3Å; A676-C716 HydrophobicContact CB-CB 4.49Å; A676-C716 PolarHBondContact N-O 2.82Å; A676-C716 PolarHBondContact O-N 3.36Å; L705-C716 VanDerWaalsContact CD1-SG 3.54Å; C716-L718 HydrophobicContact CB-CD2 3.93Å; C716-L718 PolarHBondContact O-N 3.33Å
717	E	93.5	Very high	94.6	Very high	58 Å²	58	47.6 Å²	47.6	27%	0.271	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	114.7	166.8	-73.7	63.4	-147.3	0	0	109.6	R675	R675-E717 IonicContact CZ-OE1 2.65Å; R675-E717 IonicContact NE-OE1 3.59Å; R675-E717 PolarHBondContact NE-OE1 2.92Å; R675-E717 VanDerWaalsContact NE-OE1 3.1Å; R675-E717 IonicContact NH2-OE1 3.92Å; R675-E717 PolarHBondContact NH2-OE1 3.21Å; R675-E717 VanDerWaalsContact NH2-OE1 3.1Å
718	L	95.1	Very high	94.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	14.3	-173.6	-55.1	-174.7	0	0	0	113.9	I416 L418 L425 L660 L674 A676 V693 I695 C716	I416-L718 HydrophobicContact CG2-CD2 3.71Å; L418-L718 HydrophobicContact CB-CD1 4.19Å; L418-L718 HydrophobicContact CD2-CD1 3.8Å; L418-L718 HydrophobicContact CG-CD1 4.39Å; L425-L718 HydrophobicContact CD1-CD1 4.01Å; L425-L718 HydrophobicContact CD1-CD2 4.02Å; L660-L718 HydrophobicContact CD2-CD1 4.4Å; L674-L718 HydrophobicContact CB-CB 4.24Å; L674-L718 HydrophobicContact CD2-CB 4.28Å; L674-L718 HydrophobicContact CD2-CD1 4Å; L674-L718 HydrophobicContact CG-CB 4.26Å; L674-L718 HydrophobicContact CG-CD1 4.2Å; L674-L718 PolarHBondContact O-N 2.82Å; A676-L718 HydrophobicContact CB-CD1 3.88Å; A676-L718 HydrophobicContact CB-CG 4.25Å; V693-L718 HydrophobicContact CG1-CB 4.09Å; V693-L718 HydrophobicContact CG1-CD2 4.12Å; V693-L718 WeakPolarHBondContact CG1-O 3.35Å; I695-L718 HydrophobicContact CD1-CB 4.37Å; C716-L718 HydrophobicContact CB-CD2 3.93Å; C716-L718 PolarHBondContact O-N 3.33Å
719	G	92.7	Very high	94.7	Very high	24 Å²	24	52.5 Å²	52.5	25%	0.247	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.6	-178.3	-179.2	0	0	0	0	0	114.1	F673 L674	F673-G719 CarbonylContact C-O 3.59Å; F673-G719 VanDerWaalsContact CA-O 3.26Å; F673-G719 WeakPolarHBondContact CA-O 3.38Å; L674-G719 PolarHBondContact N-O 2.88Å
720	Y	92.4	Very high	94.5	Very high	107 Å²	107	56.9 Å²	56.9	42%	0.42	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.7	-177.8	110.9	-82.5	0	0	0	111.8	K671 A672 P722	K671-Y720 HydrophobicContact CB-CD2 4.08Å; K671-Y720 HydrophobicContact CD-CD2 3.8Å; K671-Y720 HydrophobicContact CD-CE2 4.21Å; K671-Y720 HydrophobicContact CD-CG 4.01Å; K671-Y720 HydrophobicContact CG-CD2 4.06Å; K671-Y720 HydrophobicContact CG-CE2 4.49Å; A672-Y720 CarbonylContact O-C 3.54Å; A672-Y720 VanDerWaalsContact O-CA 3.24Å; A672-Y720 WeakPolarHBondContact O-CA 3.45Å; Y720-P722 HydrophobicContact CE2-CB 3.93Å
721	D	91.9	Very high	94.3	Very high	17 Å²	17	57.2 Å²	57.2	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.9	179.1	-170.5	-31.3	0	0	0	110.4	Y662 A672 G723 I724 Y760	Y662-D721 HydrophobicContact CD1-CB 4.35Å; Y662-D721 HydrophobicContact CE1-CB 3.67Å; Y662-D721 WeakPolarHBondContact CE1-OD2 3.29Å; Y662-D721 VanDerWaalsContact CZ-OD2 3.26Å; Y662-D721 PolarHBondContact OH-OD2 2.95Å; A672-D721 PolarHBondContact O-N 2.75Å; D721-G723 VanDerWaalsContact C-N 3.25Å; D721-G723 PolarHBondContact O-N 3.32Å; D721-G723 WeakPolarHBondContact OD1-CA 3.45Å; D721-G723 PolarHBondContact OD1-N 2.85Å; D721-I724 HydrophobicContact CB-CD1 4.48Å; D721-I724 HydrophobicContact CB-CG1 4.39Å; D721-I724 PolarHBondContact O-N 3.16Å; D721-Y760 WeakPolarHBondContact OD1-CE2 3.49Å; D721-Y760 PolarHBondContact OD1-OH 2.8Å
722	P	92.1	Very high	94.1	Very high	81 Å²	81	57.1 Å²	57.1	53%	0.526	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.4	178.3	27	-32.9	0	0	0	114.2	Y720 I724	Y720-P722 HydrophobicContact CE2-CB 3.93Å; P722-I724 PolarHBondContact O-N 3.06Å
723	G	93.4	Very high	93.7	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.6	176	0	0	0	0	0	113.5	D721 S759	D721-G723 VanDerWaalsContact C-N 3.25Å; D721-G723 PolarHBondContact O-N 3.32Å; D721-G723 WeakPolarHBondContact OD1-CA 3.45Å; D721-G723 PolarHBondContact OD1-N 2.85Å; G723-S759 VanDerWaalsContact CA-OG 3.28Å; G723-S759 WeakPolarHBondContact CA-OG 3.33Å; G723-S759 WeakPolarHBondContact O-CB 3.26Å; G723-S759 PolarHBondContact O-N 3.37Å; G723-S759 PolarHBondContact O-OG 2.76Å
724	I	96.3	Very high	93.3	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	95.6	169.4	-46.8	-178.4	0	0	0	108.2	Y662 A672 D721 P722 V726 E757 M764 L766	Y662-I724 HydrophobicContact CD1-CD1 3.29Å; Y662-I724 HydrophobicContact CD2-CD1 3.8Å; Y662-I724 HydrophobicContact CE1-CD1 3.56Å; Y662-I724 HydrophobicContact CE2-CD1 4.06Å; Y662-I724 HydrophobicContact CG-CD1 3.37Å; A672-I724 HydrophobicContact CB-CB 3.69Å; A672-I724 HydrophobicContact CB-CD1 3.86Å; A672-I724 HydrophobicContact CB-CG1 4.33Å; A672-I724 HydrophobicContact CB-CG2 3.68Å; D721-I724 HydrophobicContact CB-CD1 4.48Å; D721-I724 HydrophobicContact CB-CG1 4.39Å; D721-I724 PolarHBondContact O-N 3.16Å; P722-I724 PolarHBondContact O-N 3.06Å; I724-V726 HydrophobicContact CG2-CG2 4.33Å; I724-E757 CarbonylContact C-O 3.53Å; I724-E757 WeakPolarHBondContact CA-O 3.41Å; I724-M764 HydrophobicContact CD1-CE 3.36Å; I724-M764 HydrophobicContact CD1-SD 3.79Å; I724-M764 HydrophobicContact CG1-CE 3.5Å; I724-M764 HydrophobicContact CG1-SD 3.7Å; I724-L766 HydrophobicContact CG2-CD2 3.97Å
725	R	97.6	Very high	92.5	Very high	118 Å²	118	64.5 Å²	64.5	45%	0.445	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.2	176.5	-69.2	-172.8	-73.2	-93.5	10.8	109.3	V756 E757	R725-V756 CarbonylContact O-C 3.54Å; R725-V756 WeakPolarHBondContact O-CA 3.33Å; R725-E757 HydrophobicContact CB-CB 4.25Å; R725-E757 IonicContact CZ-OE1 3.19Å; R725-E757 IonicContact CZ-OE2 3.68Å; R725-E757 VanDerWaalsContact CZ-OE2 3.31Å; R725-E757 PolarHBondContact N-O 3.05Å; R725-E757 IonicContact NE-OE1 3.86Å; R725-E757 IonicContact NE-OE2 3.2Å; R725-E757 PolarHBondContact NE-OE2 2.8Å; R725-E757 IonicContact NH2-OE1 2.7Å; R725-E757 PolarHBondContact NH2-OE1 3.32Å; R725-E757 IonicContact NH2-OE2 2.81Å; R725-E757 PolarHBondContact NH2-OE2 2.98Å; R725-E757 VanDerWaalsContact NH2-OE2 3.12Å; R725-E757 PolarHBondContact O-N 2.67Å
726	V	98.3	Very high	91.2	Very high	13 Å²	13	67.8 Å²	67.8	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.3	178.8	-179.3	0	0	0	0	107.7	T664 P666 P670 A672 I724 I754 S755 V756	T664-V726 HydrophobicContact CG2-CG1 4.42Å; T664-V726 HydrophobicContact CG2-CG2 4.31Å; P666-V726 HydrophobicContact CB-CG1 3.91Å; P666-V726 HydrophobicContact CG-CG1 3.76Å; P670-V726 HydrophobicContact CB-CG1 4.46Å; A672-V726 HydrophobicContact CB-CG2 4.23Å; I724-V726 HydrophobicContact CG2-CG2 4.33Å; V726-I754 HydrophobicContact CG1-CG2 4.41Å; V726-S755 WeakPolarHBondContact CA-O 3.47Å; V726-V756 HydrophobicContact CG1-CG1 4.26Å; V726-V756 HydrophobicContact CG2-CG1 4.23Å
727	T	97.7	Very high	89.4	Confident	66 Å²	66	74.1 Å²	74.1	41%	0.405	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.5	179.4	-54	0	0	0	0	109.4	M729 I754 S755	T727-M729 HydrophobicContact CG2-CE 3.69Å; T727-M729 HydrophobicContact CG2-SD 3.77Å; T727-I754 WeakPolarHBondContact O-CA 3.39Å; T727-S755 PolarHBondContact N-O 3.16Å; T727-S755 PolarHBondContact O-N 3.25Å
728	Y	96.9	Very high	87.6	Confident	55 Å²	55	74.3 Å²	74.3	22%	0.216	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	101.2	176.8	-166.6	-111.5	0	0	0	109.5	P666 K667 Q752 I754 D770	P666-Y728 HydrophobicContact CB-CD2 3.53Å; P666-Y728 HydrophobicContact CB-CE2 4.28Å; P666-Y728 HydrophobicContact CB-CG 4Å; K667-Y728 HydrophobicContact CB-CE1 4.03Å; K667-Y728 HydrophobicContact CB-CE2 4.27Å; K667-Y728 HydrophobicContact CG-CE1 4.08Å; Y728-Q752 HydrophobicContact CD2-CG 4.44Å; Y728-Q752 VanDerWaalsContact CE2-CD 3.45Å; Y728-Q752 HydrophobicContact CE2-CG 3.56Å; Y728-Q752 PolarHBondContact OH-OE1 2.94Å; Y728-I754 HydrophobicContact CD2-CD1 4.24Å; Y728-I754 HydrophobicContact CD2-CG1 3.9Å; Y728-I754 HydrophobicContact CE2-CD1 4.1Å; Y728-I754 HydrophobicContact CE2-CG1 4.05Å; Y728-D770 PolarHBondContact OH-OD2 2.87Å
729	M	94.1	Very high	85	Confident	74 Å²	74	80.9 Å²	80.9	37%	0.365	42%	0.424	S	S	.	.			trans	-70.4	156.4	-172.2	-62.7	-63.1	-175.2	0	0	112.1	T727 K731 Q752 V753	T727-M729 HydrophobicContact CG2-CE 3.69Å; T727-M729 HydrophobicContact CG2-SD 3.77Å; M729-K731 PolarHBondContact O-N 2.96Å; M729-Q752 PolarHBondContact O-NE2 2.92Å; M729-V753 HydrophobicContact CB-CB 4.13Å; M729-V753 WeakPolarHBondContact CB-O 3.39Å; M729-V753 HydrophobicContact CG-CB 4.11Å; M729-V753 HydrophobicContact CG-CG1 4.29Å; M729-V753 PolarHBondContact N-O 2.8Å
730	P	90	Very high	82.6	Confident	122 Å²	122	88.8 Å²	88.8	79%	0.792	45%	0.452	S	S	*	.			trans	-54.7	132.6	171.2	-26.2	35.5	0	0	0	112.2	H732	P730-H732 PolarHBondContact O-N 2.85Å
731	K	88.2	Confident	80.2	Confident	75 Å²	75	91.6 Å²	91.6	33%	0.326	47%	0.473	S	S	.	.			trans	-68.7	114.7	-178.5	-174.7	174.3	-69.6	177.3	0	111	M729 Y827	M729-K731 PolarHBondContact O-N 2.96Å; K731-Y827 PolarHBondContact NZ-OH 3.5Å
732	H	88.4	Confident	78.3	Confident	117 Å²	117	94.1 Å²	94.1	54%	0.542	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.6	175.7	-167.6	-95.9	0	0	0	110.5	P730 Y734 K751	P730-H732 PolarHBondContact O-N 2.85Å; H732-Y734 AromaticContact CE1-CD1 3.93Å; H732-Y734 AromaticContact ND1-CD1 3.61Å; H732-K751 HydrophobicContact CB-CB 4.49Å; H732-K751 PolarHBondContact N-O 3.49Å; H732-K751 PolarHBondContact O-N 2.92Å
733	K	88	Confident	76.6	Confident	119 Å²	119	97.3 Å²	97.3	52%	0.517	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.1	176.7	-64.4	-178.2	-178.1	175.5	0	109.6	I748 V749	K733-I748 HydrophobicContact CB-CG2 4.38Å; K733-V749 WeakPolarHBondContact CA-O 3.33Å
734	Y	86.7	Confident	75.2	Confident	97 Å²	97	105.3 Å²	105.3	38%	0.38	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.8	173.2	60.6	-79.2	0	0	0	111.6	H732 V749	H732-Y734 AromaticContact CE1-CD1 3.93Å; H732-Y734 AromaticContact ND1-CD1 3.61Å; Y734-V749 HydrophobicContact CD1-CB 4.07Å; Y734-V749 HydrophobicContact CD1-CG1 4.38Å; Y734-V749 HydrophobicContact CD2-CB 4.28Å; Y734-V749 HydrophobicContact CE1-CB 3.66Å; Y734-V749 HydrophobicContact CE1-CG1 3.56Å; Y734-V749 HydrophobicContact CE2-CB 3.9Å; Y734-V749 HydrophobicContact CE2-CG1 4.37Å; Y734-V749 HydrophobicContact CE2-CG2 4Å; Y734-V749 HydrophobicContact CG-CB 4.37Å; Y734-V749 PolarHBondContact N-O 2.74Å; Y734-V749 PolarHBondContact O-N 2.83Å
735	K	80	Confident	73.8	Confident	140 Å²	140	109.1 Å²	109.1	61%	0.609	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.5	134.5	175.8	-70.2	177.8	178	176.2	0	109.2	M746 I748	K735-M746 HydrophobicContact CD-CE 4.13Å; K735-I748 HydrophobicContact CG-CG1 4.09Å
736	K	68.2	Low	72.8	Confident	129 Å²	129	106.5 Å²	106.5	56%	0.561	57%	0.567	S	S	*	*			trans	-106.2	93.5	172.4	-171.6	-178.2	-179.5	-172.5	0	108.1	G738 S747 V749	K736-G738 PolarHBondContact O-N 3.36Å; K736-S747 PolarHBondContact N-O 2.82Å; K736-V749 HydrophobicContact CB-CG2 4.25Å; K736-V749 HydrophobicContact CD-CG2 4.47Å
737	T	56.1	Low	72.1	Confident	136 Å²	136	107 Å²	107	83%	0.834	57%	0.571	S	S	*	*			trans	-72.8	106.6	179.5	-42.4	0	0	0	0	109.5
738	G	54.7	Low	71.6	Confident	62 Å²	62	105.2 Å²	105.2	64%	0.639	56%	0.559	S	S	*	*			trans	-105.2	123	174.3	0	0	0	0	0	110.9	K736 F740	K736-G738 PolarHBondContact O-N 3.36Å; G738-F740 PolarHBondContact O-N 3.4Å
739	T	40.8	Very low	71.3	Confident	138 Å²	138	102.8 Å²	102.8	85%	0.847	55%	0.549	S	S	*	.			trans	-77.9	107.9	173.7	-46.5	0	0	0	0	109.2
740	F	42.8	Very low	71.2	Confident	190 Å²	190	99.3 Å²	99.3	83%	0.833	53%	0.532	S	S	*	.			trans	-139.9	133.3	174.1	-138.4	-93.4	0	0	0	111.1	G738	G738-F740 PolarHBondContact O-N 3.4Å
741	L	42.9	Very low	71.4	Confident	165 Å²	165	97.1 Å²	97.1	86%	0.864	51%	0.51	S	S	*	.	S	Bend	trans	-72.2	132.6	175	-83.6	68.2	0	0	0	109.5
742	G	51.7	Low	71.8	Confident	70 Å²	70	93.7 Å²	93.7	72%	0.722	50%	0.495	S	S	*	.	S	Bend	trans	134.3	-34.4	159	0	0	0	0	0	116.7
743	N	55.7	Low	72.2	Confident	148 Å²	148	89 Å²	89	79%	0.791	48%	0.475	S	S	*	.	S	Bend	trans	-161.7	142.2	173.2	-94.2	-46.6	0	0	0	110.1	T745	N743-T745 PolarHBondContact O-N 2.95Å
744	K	63.3	Low	72.7	Confident	173 Å²	173	83.3 Å²	83.3	75%	0.752	45%	0.45	S	S	*	.			trans	-77.3	82.1	179.2	-71.9	-176.6	177.1	176.8	0	111.5	S833	K744-S833 VanDerWaalsContact CB-OG 3.27Å; K744-S833 WeakPolarHBondContact CB-OG 3.24Å; K744-S833 WeakPolarHBondContact O-CB 3.37Å; K744-S833 PolarHBondContact O-N 2.84Å
745	T	68.7	Low	73.2	Confident	85 Å²	85	79.6 Å²	79.6	52%	0.521	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.9	164.9	-6.8	0	0	0	0	109.6	N743 E830 Y831	N743-T745 PolarHBondContact O-N 2.95Å; T745-E830 HydrophobicContact CG2-CB 4.45Å; T745-Y831 CarbonylContact C-O 3.55Å; T745-Y831 WeakPolarHBondContact CA-O 3.34Å; T745-Y831 WeakPolarHBondContact CG2-O 3.41Å
746	M	75.9	Confident	74.1	Confident	63 Å²	63	72.9 Å²	72.9	31%	0.31	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	146.5	167.6	-67.3	-173	74	0	0	109.4	K735 E830 Y831	K735-M746 HydrophobicContact CD-CE 4.13Å; M746-E830 WeakPolarHBondContact O-CA 3.44Å; M746-Y831 HydrophobicContact CB-CD1 4.15Å; M746-Y831 HydrophobicContact CB-CD2 4.29Å; M746-Y831 HydrophobicContact CB-CE1 3.68Å; M746-Y831 HydrophobicContact CB-CE2 3.85Å; M746-Y831 HydrophobicContact CB-CG 4.43Å; M746-Y831 PolarHBondContact N-O 2.82Å; M746-Y831 WeakPolarHBondContact O-CD1 3.28Å; M746-Y831 PolarHBondContact O-N 2.89Å; M746-Y831 HydrophobicContact SD-CE2 4.22Å
747	S	83.7	Confident	75.5	Confident	22 Å²	22	69.5 Å²	69.5	15%	0.154	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.8	178.8	-45.6	0	0	0	0	110.8	K736 V829	K736-S747 PolarHBondContact N-O 2.82Å; S747-V829 CarbonylContact C-O 3.6Å; S747-V829 VanDerWaalsContact CA-O 3.3Å; S747-V829 WeakPolarHBondContact CA-O 3.18Å
748	I	87.2	Confident	77.5	Confident	30 Å²	30	63 Å²	63	15%	0.154	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.6	173.4	-70.6	166.7	0	0	0	108.4	K733 K735 V829 Y831	K733-I748 HydrophobicContact CB-CG2 4.38Å; K735-I748 HydrophobicContact CG-CG1 4.09Å; I748-V829 PolarHBondContact N-O 2.78Å; I748-V829 PolarHBondContact O-N 2.7Å; I748-Y831 HydrophobicContact CD1-CE1 3.79Å; I748-Y831 WeakPolarHBondContact CD1-OH 3.2Å; I748-Y831 HydrophobicContact CG1-CE1 3.98Å
749	V	89.8	Confident	79.5	Confident	4 Å²	4	62 Å²	62	2%	0.024	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125	165.9	-178.2	0	0	0	0	108.6	K733 Y734 K736 I785 K826 Y827 L828	K733-V749 WeakPolarHBondContact CA-O 3.33Å; Y734-V749 HydrophobicContact CD1-CB 4.07Å; Y734-V749 HydrophobicContact CD1-CG1 4.38Å; Y734-V749 HydrophobicContact CD2-CB 4.28Å; Y734-V749 HydrophobicContact CE1-CB 3.66Å; Y734-V749 HydrophobicContact CE1-CG1 3.56Å; Y734-V749 HydrophobicContact CE2-CB 3.9Å; Y734-V749 HydrophobicContact CE2-CG1 4.37Å; Y734-V749 HydrophobicContact CE2-CG2 4Å; Y734-V749 HydrophobicContact CG-CB 4.37Å; Y734-V749 PolarHBondContact N-O 2.74Å; Y734-V749 PolarHBondContact O-N 2.83Å; K736-V749 HydrophobicContact CB-CG2 4.25Å; K736-V749 HydrophobicContact CD-CG2 4.47Å; V749-I785 HydrophobicContact CG1-CD1 4.22Å; V749-I785 HydrophobicContact CG2-CD1 4.43Å; V749-K826 HydrophobicContact CG1-CG 3.82Å; V749-Y827 WeakPolarHBondContact CA-O 3.33Å; V749-L828 HydrophobicContact CG2-CD1 3.63Å
750	C	92.5	Very high	82	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129	167.4	-69.8	0	0	0	0	108.5	K826 Y827	C750-K826 VanDerWaalsContact O-CA 3.24Å; C750-K826 WeakPolarHBondContact O-CA 3.38Å; C750-Y827 HydrophobicContact CB-CD1 4.44Å; C750-Y827 HydrophobicContact CB-CD2 3.93Å; C750-Y827 HydrophobicContact CB-CE1 4.03Å; C750-Y827 HydrophobicContact CB-CE2 3.45Å; C750-Y827 VanDerWaalsContact CB-CE2 3.45Å; C750-Y827 HydrophobicContact CB-CG 4.4Å; C750-Y827 PolarHBondContact N-O 2.93Å; C750-Y827 PolarHBondContact O-N 2.64Å
751	K	94.9	Very high	84.5	Confident	76 Å²	76	54.4 Å²	54.4	33%	0.33	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.3	170.2	-172.2	-169.9	-179.5	-166.4	0	109.1	H732 V753 V824 K826	H732-K751 HydrophobicContact CB-CB 4.49Å; H732-K751 PolarHBondContact N-O 3.49Å; H732-K751 PolarHBondContact O-N 2.92Å; K751-V753 HydrophobicContact CD-CG2 4.27Å; K751-V753 HydrophobicContact CG-CG2 4.34Å; K751-V824 HydrophobicContact CD-CG1 4.34Å; K751-V824 HydrophobicContact CG-CG1 3.88Å; K751-K826 HydrophobicContact CB-CG 4.37Å
752	Q	95.5	Very high	86.9	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.3	171.7	-177.8	58.9	57.5	0	0	108	Y728 M729 I754 V824 L825	Y728-Q752 HydrophobicContact CD2-CG 4.44Å; Y728-Q752 VanDerWaalsContact CE2-CD 3.45Å; Y728-Q752 HydrophobicContact CE2-CG 3.56Å; Y728-Q752 PolarHBondContact OH-OE1 2.94Å; M729-Q752 PolarHBondContact O-NE2 2.92Å; Q752-I754 HydrophobicContact CG-CG1 4.49Å; Q752-V824 WeakPolarHBondContact O-CA 3.12Å; Q752-L825 HydrophobicContact CB-CB 4.23Å; Q752-L825 PolarHBondContact N-O 3.24Å; Q752-L825 PolarHBondContact O-N 2.7Å
753	V	97.2	Very high	89	Confident	18 Å²	18	52.4 Å²	52.4	11%	0.109	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.2	176.2	-176.8	0	0	0	0	108.6	M729 K751 E822 V824	M729-V753 HydrophobicContact CB-CB 4.13Å; M729-V753 WeakPolarHBondContact CB-O 3.39Å; M729-V753 HydrophobicContact CG-CB 4.11Å; M729-V753 HydrophobicContact CG-CG1 4.29Å; M729-V753 PolarHBondContact N-O 2.8Å; K751-V753 HydrophobicContact CD-CG2 4.27Å; K751-V753 HydrophobicContact CG-CG2 4.34Å; V753-E822 HydrophobicContact CG1-CB 4.43Å; V753-E822 HydrophobicContact CG1-CG 4.43Å; V753-V824 HydrophobicContact CG2-CG2 4.42Å
754	I	98.2	Very high	90.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	112.3	178.9	-45.5	-177.7	0	0	0	106.4	P666 V726 T727 Y728 Q752 V756 V768 D770 W811 L823	P666-I754 HydrophobicContact CB-CG2 4.13Å; P666-I754 HydrophobicContact CG-CD1 4.32Å; P666-I754 HydrophobicContact CG-CG2 3.76Å; V726-I754 HydrophobicContact CG1-CG2 4.41Å; T727-I754 WeakPolarHBondContact O-CA 3.39Å; Y728-I754 HydrophobicContact CD2-CD1 4.24Å; Y728-I754 HydrophobicContact CD2-CG1 3.9Å; Y728-I754 HydrophobicContact CE2-CD1 4.1Å; Y728-I754 HydrophobicContact CE2-CG1 4.05Å; Q752-I754 HydrophobicContact CG-CG1 4.49Å; I754-V756 HydrophobicContact CG2-CG1 4.25Å; I754-V768 HydrophobicContact CD1-CG1 4.04Å; I754-V768 HydrophobicContact CG2-CG1 4.27Å; I754-D770 HydrophobicContact CD1-CB 4.07Å; I754-W811 HydrophobicContact CD1-CH2 4.42Å; I754-W811 HydrophobicContact CD1-CZ3 4.28Å; I754-L823 HydrophobicContact CB-CB 4.37Å; I754-L823 PolarHBondContact N-O 3.12Å; I754-L823 PolarHBondContact O-N 3.28Å
755	S	97.9	Very high	92.2	Very high	19 Å²	19	43.2 Å²	43.2	13%	0.133	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.1	171	-172.1	0	0	0	0	108.9	V726 T727	V726-S755 WeakPolarHBondContact CA-O 3.47Å; T727-S755 PolarHBondContact N-O 3.16Å; T727-S755 PolarHBondContact O-N 3.25Å
756	V	98.1	Very high	93.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133	175	-67.6	0	0	0	0	109.7	R725 V726 I754 L766 V768 I813 L815 S820 R821 L823	R725-V756 CarbonylContact O-C 3.54Å; R725-V756 WeakPolarHBondContact O-CA 3.33Å; V726-V756 HydrophobicContact CG1-CG1 4.26Å; V726-V756 HydrophobicContact CG2-CG1 4.23Å; I754-V756 HydrophobicContact CG2-CG1 4.25Å; V756-L766 HydrophobicContact CB-CD2 3.93Å; V756-L766 HydrophobicContact CG1-CD2 3.93Å; V756-L766 HydrophobicContact CG2-CD2 4.34Å; V756-V768 HydrophobicContact CG1-CG2 4.08Å; V756-I813 HydrophobicContact CG2-CD1 3.69Å; V756-L815 HydrophobicContact CB-CD1 4.46Å; V756-L815 HydrophobicContact CG2-CD1 4.27Å; V756-L815 HydrophobicContact CG2-CD2 4.4Å; V756-S820 CarbonylContact O-C 3.55Å; V756-S820 WeakPolarHBondContact O-CA 3.24Å; V756-R821 HydrophobicContact CG2-CB 4.36Å; V756-R821 WeakPolarHBondContact CG2-O 3.35Å; V756-R821 PolarHBondContact N-O 2.81Å; V756-R821 PolarHBondContact O-N 3.11Å; V756-L823 HydrophobicContact CG2-CD1 4.45Å
757	E	98	Very high	94.6	Very high	58 Å²	58	36.8 Å²	36.8	27%	0.271	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	128.6	-172	179.5	-172.8	-171.8	0	0	110.7	I724 R725 E819	I724-E757 CarbonylContact C-O 3.53Å; I724-E757 WeakPolarHBondContact CA-O 3.41Å; R725-E757 HydrophobicContact CB-CB 4.25Å; R725-E757 IonicContact CZ-OE1 3.19Å; R725-E757 IonicContact CZ-OE2 3.68Å; R725-E757 VanDerWaalsContact CZ-OE2 3.31Å; R725-E757 PolarHBondContact N-O 3.05Å; R725-E757 IonicContact NE-OE1 3.86Å; R725-E757 IonicContact NE-OE2 3.2Å; R725-E757 PolarHBondContact NE-OE2 2.8Å; R725-E757 IonicContact NH2-OE1 2.7Å; R725-E757 PolarHBondContact NH2-OE1 3.32Å; R725-E757 IonicContact NH2-OE2 2.81Å; R725-E757 PolarHBondContact NH2-OE2 2.98Å; R725-E757 VanDerWaalsContact NH2-OE2 3.12Å; R725-E757 PolarHBondContact O-N 2.67Å; E757-E819 WeakPolarHBondContact CA-O 3.42Å
758	N	97.8	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.4	174.7	174	15.4	0	0	0	109.5	Y760 R762 M764 L815 A816 Y818 E819	N758-Y760 WeakPolarHBondContact OD1-CB 3.38Å; N758-Y760 PolarHBondContact OD1-N 2.85Å; N758-R762 PolarHBondContact ND2-O 3.18Å; N758-M764 HydrophobicContact CB-CG 4.32Å; N758-M764 HydrophobicContact CB-SD 3.7Å; N758-M764 PolarHBondContact OD1-SD 2.94Å; N758-L815 HydrophobicContact CB-CB 3.98Å; N758-L815 HydrophobicContact CB-CD1 4.18Å; N758-A816 PolarHBondContact ND2-O 3.02Å; N758-Y818 CarbonylContact O-C 3.6Å; N758-Y818 WeakPolarHBondContact O-CA 3.41Å; N758-Y818 PolarHBondContact O-N 2.93Å; N758-E819 PolarHBondContact N-O 2.96Å
759	S	96.1	Very high	95.7	Very high	40 Å²	40	35.7 Å²	35.7	28%	0.28	18%	0.18	S	C	.	.			trans	-94.4	11	176.2	88	0	0	0	0	114.3	G723 Y818	G723-S759 VanDerWaalsContact CA-OG 3.28Å; G723-S759 WeakPolarHBondContact CA-OG 3.33Å; G723-S759 WeakPolarHBondContact O-CB 3.26Å; G723-S759 PolarHBondContact O-N 3.37Å; G723-S759 PolarHBondContact O-OG 2.76Å; S759-Y818 WeakPolarHBondContact O-CE1 3.08Å
760	Y	94.1	Very high	96	Very high	75 Å²	75	35.9 Å²	35.9	29%	0.294	18%	0.181	S	C	.	.	S	Bend	trans	-101.6	152.4	-178	-68.2	-70.4	0	0	0	113.1	D721 N758 R762 M764 P817 Y818	D721-Y760 WeakPolarHBondContact OD1-CE2 3.49Å; D721-Y760 PolarHBondContact OD1-OH 2.8Å; N758-Y760 WeakPolarHBondContact OD1-CB 3.38Å; N758-Y760 PolarHBondContact OD1-N 2.85Å; Y760-R762 PolarHBondContact O-N 2.84Å; Y760-M764 HydrophobicContact CD2-CE 3.95Å; Y760-M764 HydrophobicContact CE2-CE 4.41Å; Y760-P817 WeakPolarHBondContact O-CA 3.37Å; Y760-Y818 PolarHBondContact O-N 3.42Å
761	P	95.5	Very high	95.9	Very high	94 Å²	94	38.6 Å²	38.6	61%	0.61	19%	0.194	S	C	*	.	S	Bend	trans	-73.2	18.2	174.1	31.2	-36.7	0	0	0	114.4	Y818	P761-Y818 HydrophobicContact CB-CE2 4.12Å
762	R	93.7	Very high	95.7	Very high	127 Å²	127	36 Å²	36	48%	0.479	18%	0.183	S	C	.	.	S	Bend	trans	-133.3	148.2	-177.5	65.3	178.1	-179	161.6	2.3	110.8	Y662 N758 Y760	Y662-R762 PolarHBondContact OH-NH2 2.83Å; N758-R762 PolarHBondContact ND2-O 3.18Å; Y760-R762 PolarHBondContact O-N 2.84Å
763	S	94.3	Very high	95.3	Very high	65 Å²	65	37.2 Å²	37.2	46%	0.455	19%	0.191	S	C	.	.			trans	-64.7	149.2	169.5	-53.5	0	0	0	0	111.1	L815	S763-L815 CarbonylContact C-O 3.53Å; S763-L815 WeakPolarHBondContact CA-O 3.39Å
764	M	93.1	Very high	94.7	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.2	-179.9	71	-172.8	-16.3	0	0	113.1	Y662 I724 N758 Y760 E814 L815	Y662-M764 HydrophobicContact CD2-CE 3.99Å; Y662-M764 HydrophobicContact CE2-CE 3.53Å; I724-M764 HydrophobicContact CD1-CE 3.36Å; I724-M764 HydrophobicContact CD1-SD 3.79Å; I724-M764 HydrophobicContact CG1-CE 3.5Å; I724-M764 HydrophobicContact CG1-SD 3.7Å; N758-M764 HydrophobicContact CB-CG 4.32Å; N758-M764 HydrophobicContact CB-SD 3.7Å; N758-M764 PolarHBondContact OD1-SD 2.94Å; Y760-M764 HydrophobicContact CD2-CE 3.95Å; Y760-M764 HydrophobicContact CE2-CE 4.41Å; M764-E814 CarbonylContact O-C 3.52Å; M764-E814 WeakPolarHBondContact O-CA 3.12Å; M764-L815 HydrophobicContact CG-CB 4.18Å; M764-L815 PolarHBondContact N-O 3.19Å; M764-L815 PolarHBondContact O-N 2.78Å
765	K	94.1	Very high	94	Very high	118 Å²	118	43.2 Å²	43.2	51%	0.513	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.5	176.8	-61.8	-169.8	177.6	-166.4	0	111.1	Y662 I813 E814	Y662-K765 PolarHBondContact N-O 3.22Å; K765-I813 CarbonylContact C-O 3.52Å; K765-I813 WeakPolarHBondContact CA-O 3.35Å; K765-E814 WeakPolarHBondContact CE-OE2 3.3Å; K765-E814 HydrophobicContact CG-CB 4.4Å; K765-E814 HydrophobicContact CG-CG 4.22Å; K765-E814 IonicContact NZ-OE2 2.86Å; K765-E814 PolarHBondContact NZ-OE2 2.84Å
766	L	97	Very high	93.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.6	-178.1	177.6	64.4	0	0	0	109.9	Y662 T664 A672 I724 V756 V768 I813 L815	Y662-L766 WeakPolarHBondContact O-CA 3.3Å; T664-L766 HydrophobicContact CG2-CD1 4.09Å; T664-L766 HydrophobicContact CG2-CD2 4.44Å; T664-L766 HydrophobicContact CG2-CG 4.44Å; A672-L766 HydrophobicContact CB-CD1 4.02Å; I724-L766 HydrophobicContact CG2-CD2 3.97Å; V756-L766 HydrophobicContact CB-CD2 3.93Å; V756-L766 HydrophobicContact CG1-CD2 3.93Å; V756-L766 HydrophobicContact CG2-CD2 4.34Å; L766-V768 HydrophobicContact CD2-CG2 3.94Å; L766-V768 HydrophobicContact CG-CG2 3.94Å; L766-I813 HydrophobicContact CB-CG1 4.17Å; L766-I813 HydrophobicContact CD2-CD1 4.44Å; L766-I813 PolarHBondContact N-O 2.89Å; L766-I813 WeakPolarHBondContact O-CG1 3.38Å; L766-I813 PolarHBondContact O-N 2.65Å; L766-L815 HydrophobicContact CD2-CD1 4.2Å
767	L	97.1	Very high	92.2	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.068	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.4	169.5	179.7	60.5	0	0	0	109.2	Y662 I663 T664 I769 E810 W811 D812	Y662-L767 PolarHBondContact O-N 3Å; I663-L767 CarbonylContact C-O 3.49Å; I663-L767 VanDerWaalsContact CA-O 3.3Å; I663-L767 WeakPolarHBondContact CA-O 3.49Å; I663-L767 HydrophobicContact CD1-CD2 4.16Å; I663-L767 HydrophobicContact CG1-CB 4.38Å; I663-L767 HydrophobicContact CG1-CD2 4.37Å; I663-L767 HydrophobicContact CG1-CG 4.41Å; T664-L767 PolarHBondContact N-O 2.93Å; L767-I769 HydrophobicContact CD1-CG1 4.48Å; L767-I769 HydrophobicContact CD2-CD1 4.09Å; L767-I769 HydrophobicContact CD2-CG1 4.46Å; L767-I769 HydrophobicContact CG-CD1 4.19Å; L767-I769 HydrophobicContact CG-CG1 4.01Å; L767-E810 HydrophobicContact CD1-CB 4.03Å; L767-E810 HydrophobicContact CD1-CG 4.41Å; L767-W811 CarbonylContact C-O 3.6Å; L767-W811 WeakPolarHBondContact CA-O 3.39Å; L767-D812 HydrophobicContact CD1-CB 4.28Å
768	V	97.9	Very high	91.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132	173.1	-175.5	0	0	0	0	108.8	T664 P666 I754 V756 L766 E810 W811 I813 L823	T664-V768 HydrophobicContact CG2-CB 4.09Å; T664-V768 HydrophobicContact CG2-CG1 4.01Å; T664-V768 HydrophobicContact CG2-CG2 3.76Å; P666-V768 HydrophobicContact CG-CG1 4.13Å; I754-V768 HydrophobicContact CD1-CG1 4.04Å; I754-V768 HydrophobicContact CG2-CG1 4.27Å; V756-V768 HydrophobicContact CG1-CG2 4.08Å; L766-V768 HydrophobicContact CD2-CG2 3.94Å; L766-V768 HydrophobicContact CG-CG2 3.94Å; V768-E810 WeakPolarHBondContact O-CA 3.35Å; V768-W811 HydrophobicContact CB-CB 4.38Å; V768-W811 HydrophobicContact CB-CE3 4.06Å; V768-W811 HydrophobicContact CG1-CE3 3.98Å; V768-W811 HydrophobicContact CG1-CZ3 4.28Å; V768-W811 PolarHBondContact N-O 3.01Å; V768-W811 PolarHBondContact O-N 2.8Å; V768-I813 HydrophobicContact CG2-CD1 4.26Å; V768-L823 HydrophobicContact CB-CD1 3.72Å; V768-L823 HydrophobicContact CG1-CD1 3.89Å; V768-L823 HydrophobicContact CG2-CD1 3.55Å
769	I	97.3	Very high	90.3	Very high	29 Å²	29	63.8 Å²	63.8	15%	0.149	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.9	177.8	-47.4	-170.6	0	0	0	110.6	I663 T664 I665 P666 L767 I809 E810	I663-I769 HydrophobicContact CD1-CD1 3.81Å; I663-I769 HydrophobicContact CG1-CD1 4.31Å; T664-I769 PolarHBondContact O-N 2.84Å; I665-I769 HydrophobicContact CG1-CB 4.4Å; P666-I769 VanDerWaalsContact CD-O 3.26Å; P666-I769 WeakPolarHBondContact CD-O 3.45Å; L767-I769 HydrophobicContact CD1-CG1 4.48Å; L767-I769 HydrophobicContact CD2-CD1 4.09Å; L767-I769 HydrophobicContact CD2-CG1 4.46Å; L767-I769 HydrophobicContact CG-CD1 4.19Å; L767-I769 HydrophobicContact CG-CG1 4.01Å; I769-I809 WeakPolarHBondContact CA-O 3.42Å; I769-E810 HydrophobicContact CD1-CG 4.28Å; I769-E810 HydrophobicContact CG1-CG 4.18Å; I769-E810 HydrophobicContact CG2-CG 4.38Å
770	D	95.2	Very high	89.6	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.043	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	170.5	168.5	-163	5.5	0	0	0	110.6	Y728 I754 S808 I809 W811 L825	Y728-D770 PolarHBondContact OH-OD2 2.87Å; I754-D770 HydrophobicContact CD1-CB 4.07Å; D770-S808 CarbonylContact O-C 3.52Å; D770-S808 WeakPolarHBondContact O-CA 3.24Å; D770-I809 PolarHBondContact N-O 3.05Å; D770-I809 PolarHBondContact O-N 2.8Å; D770-W811 HydrophobicContact CB-CH2 4.35Å; D770-W811 HydrophobicContact CB-CZ3 4.05Å; D770-L825 HydrophobicContact CB-CD2 4.2Å
771	Q	91.5	Very high	89.2	Confident	57 Å²	57	66 Å²	66	27%	0.266	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	121	-174.3	45.6	158.7	96.1	0	0	113	K667	K667-Q771 HydrophobicContact CD-CG 3.86Å
772	L	89.5	Confident	88.8	Confident	22 Å²	22	64 Å²	64	12%	0.115	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-78.2	123.4	158.3	-177.5	63.3	0	0	0	107.7	I782 L784 I803 K807 I809 L825 Y827	L772-I782 HydrophobicContact CD1-CG2 4.21Å; L772-L784 HydrophobicContact CD1-CD1 4.04Å; L772-L784 HydrophobicContact CD2-CB 4.3Å; L772-L784 HydrophobicContact CD2-CD1 4.47Å; L772-I803 HydrophobicContact CD2-CD1 4.36Å; L772-K807 WeakPolarHBondContact CB-O 3.43Å; L772-K807 PolarHBondContact N-O 2.57Å; L772-I809 HydrophobicContact CB-CD1 4.07Å; L772-I809 HydrophobicContact CB-CG1 4.06Å; L772-I809 HydrophobicContact CD2-CD1 4.32Å; L772-L825 HydrophobicContact CD1-CD1 4.5Å; L772-Y827 HydrophobicContact CD1-CD1 3.93Å; L772-Y827 HydrophobicContact CD1-CG 3.96Å
773	P	87.6	Confident	88.6	Confident	28 Å²	28	62.4 Å²	62.4	18%	0.182	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-63	146.9	177.4	-20.1	33.4	0	0	0	110.9	I782 Y827	P773-I782 HydrophobicContact CB-CD1 4.07Å; P773-I782 WeakPolarHBondContact O-CD1 3.39Å; P773-Y827 HydrophobicContact CG-CE1 4.35Å; P773-Y827 HydrophobicContact CG-CE2 3.75Å; P773-Y827 WeakPolarHBondContact CG-OH 3.49Å
774	V	85.3	Confident	88.6	Confident	100 Å²	100	61.6 Å²	61.6	61%	0.606	31%	0.314	S	S	*	.			trans	-111.7	140.9	177.3	-175.5	0	0	0	0	108	K807	V774-K807 HydrophobicContact CG2-CB 3.59Å; V774-K807 HydrophobicContact CG2-CG 3.97Å
775	S	83.6	Confident	88.6	Confident	45 Å²	45	64.3 Å²	64.3	32%	0.315	33%	0.329	S	S	.	.			trans	-77.4	143	-179.9	-171.3	0	0	0	0	112	E777 L780	S775-E777 PolarHBondContact OG-N 2.75Å; S775-E777 PolarHBondContact OG-O 2.77Å; S775-L780 WeakPolarHBondContact CB-O 3.44Å; S775-L780 WeakPolarHBondContact OG-CB 3.37Å; S775-L780 PolarHBondContact OG-O 2.9Å
776	T	79.5	Confident	88.6	Confident	113 Å²	113	61.8 Å²	61.8	69%	0.693	32%	0.318	S	S	*	.	S	Bend	trans	-98.4	-15.5	170.4	51.4	0	0	0	0	113.4	L842	T776-L842 HydrophobicContact CG2-CD1 4.09Å
777	E	78.5	Confident	88.5	Confident	81 Å²	81	62.5 Å²	62.5	38%	0.379	32%	0.323	S	S	.	.	S	Bend	trans	-128.4	139	178.7	-66.3	-171.2	-160.8	0	0	110.7	S775 K779 L780 K835	S775-E777 PolarHBondContact OG-N 2.75Å; S775-E777 PolarHBondContact OG-O 2.77Å; E777-K779 PolarHBondContact O-N 2.92Å; E777-L780 HydrophobicContact CB-CD1 4.32Å; E777-L780 PolarHBondContact O-N 2.86Å; E777-K835 IonicContact OE1-NZ 2.83Å; E777-K835 PolarHBondContact OE1-NZ 2.91Å; E777-K835 IonicContact OE2-NZ 2.85Å
778	D	76.2	Confident	88.2	Confident	165 Å²	165	67.3 Å²	67.3	88%	0.882	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.7	177.1	-59.2	-33.4	0	0	0	114.1	L780	D778-L780 VanDerWaalsContact C-N 3.35Å
779	K	78.5	Confident	87.7	Confident	149 Å²	149	68.6 Å²	68.6	65%	0.648	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-15.7	178.5	-64.1	179.8	-176.8	174.3	0	113.4	E777 P832	E777-K779 PolarHBondContact O-N 2.92Å; K779-P832 HydrophobicContact CB-CG 4.11Å
780	L	81.5	Confident	86.9	Confident	40 Å²	40	76.7 Å²	76.7	21%	0.209	40%	0.398	C	S	.	.	S	Bend	trans	-98.2	109.5	175.2	-80.8	165.3	0	0	0	108.2	S775 E777 D778 V829 I837	S775-L780 WeakPolarHBondContact CB-O 3.44Å; S775-L780 WeakPolarHBondContact OG-CB 3.37Å; S775-L780 PolarHBondContact OG-O 2.9Å; E777-L780 HydrophobicContact CB-CD1 4.32Å; E777-L780 PolarHBondContact O-N 2.86Å; D778-L780 VanDerWaalsContact C-N 3.35Å; L780-V829 HydrophobicContact CD2-CG1 4.4Å; L780-I837 HydrophobicContact CD2-CD1 3.54Å; L780-I837 HydrophobicContact CD2-CG1 4.09Å
781	K	85.6	Confident	86.2	Confident	123 Å²	123	82.3 Å²	82.3	54%	0.535	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134	178.8	-62	-177	-179.9	-179.7	0	110.4	V829 E830	K781-V829 CarbonylContact O-C 3.6Å; K781-V829 WeakPolarHBondContact O-CA 3.46Å; K781-E830 HydrophobicContact CB-CB 4.24Å; K781-E830 PolarHBondContact N-O 2.81Å; K781-E830 PolarHBondContact O-N 2.85Å
782	I	88.8	Confident	85.6	Confident	51 Å²	51	82.1 Å²	82.1	26%	0.262	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.8	179.3	-54.6	175.7	0	0	0	108.1	L772 P773 Y827 L828	L772-I782 HydrophobicContact CD1-CG2 4.21Å; P773-I782 HydrophobicContact CB-CD1 4.07Å; P773-I782 WeakPolarHBondContact O-CD1 3.39Å; I782-Y827 HydrophobicContact CG2-CD2 4.38Å; I782-L828 WeakPolarHBondContact CA-O 3.38Å
783	Q	89.5	Confident	85.1	Confident	93 Å²	93	87.5 Å²	87.5	44%	0.435	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.5	-179.2	-53.1	177.6	12.7	0	0	109.5	Y827 L828 E830	Q783-Y827 CarbonylContact O-C 3.55Å; Q783-Y827 WeakPolarHBondContact O-CA 3.35Å; Q783-Y827 VanDerWaalsContact O-CB 3.28Å; Q783-Y827 WeakPolarHBondContact O-CB 3.45Å; Q783-L828 HydrophobicContact CB-CB 4.19Å; Q783-L828 PolarHBondContact N-O 2.89Å; Q783-L828 PolarHBondContact O-N 2.81Å; Q783-E830 PolarHBondContact NE2-OE2 2.86Å
784	L	92.5	Very high	84.9	Confident	48 Å²	48	94 Å²	94	25%	0.251	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.2	172.7	-175.9	66.7	0	0	0	109.7	L772 E786 P787 I789 I803 I809 L825	L772-L784 HydrophobicContact CD1-CD1 4.04Å; L772-L784 HydrophobicContact CD2-CB 4.3Å; L772-L784 HydrophobicContact CD2-CD1 4.47Å; L784-E786 WeakPolarHBondContact CD1-O 3.18Å; L784-P787 WeakPolarHBondContact CD2-O 3.28Å; L784-I789 HydrophobicContact CD2-CD1 3.88Å; L784-I789 HydrophobicContact CD2-CG1 4.29Å; L784-I803 HydrophobicContact CD2-CD1 4.03Å; L784-I809 HydrophobicContact CD1-CD1 4.41Å; L784-I809 HydrophobicContact CD2-CD1 4.12Å; L784-L825 HydrophobicContact CD1-CD1 3.6Å
785	I	93.2	Very high	85	Confident	68 Å²	68	93.4 Å²	93.4	35%	0.349	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-52.2	177.3	-58	170.9	0	0	0	109.9	V749 K826 L828	V749-I785 HydrophobicContact CG1-CD1 4.22Å; V749-I785 HydrophobicContact CG2-CD1 4.43Å; I785-K826 WeakPolarHBondContact CA-O 3.34Å; I785-K826 HydrophobicContact CB-CB 4.28Å; I785-K826 HydrophobicContact CB-CD 4.28Å; I785-K826 HydrophobicContact CB-CG 4.18Å; I785-K826 WeakPolarHBondContact CB-O 3.29Å; I785-K826 HydrophobicContact CD1-CG 4.28Å; I785-K826 HydrophobicContact CG2-CD 3.97Å; I785-K826 HydrophobicContact CG2-CG 4.42Å; I785-K826 PolarHBondContact N-O 2.8Å; I785-L828 HydrophobicContact CD1-CB 4.15Å
786	E	94.2	Very high	85.2	Confident	64 Å²	64	93.4 Å²	93.4	30%	0.299	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.4	175.5	-68.4	147.6	-139.8	0	0	108.5	L784 V824 L825 K826	L784-E786 WeakPolarHBondContact CD1-O 3.18Å; E786-V824 CarbonylContact C-O 3.57Å; E786-V824 HydrophobicContact CB-CG1 4.49Å; E786-V824 WeakPolarHBondContact OE2-CG1 3.46Å; E786-L825 CarbonylContact O-C 3.6Å; E786-L825 WeakPolarHBondContact O-CA 3.13Å; E786-K826 HydrophobicContact CB-CB 3.85Å; E786-K826 HydrophobicContact CG-CB 4.43Å; E786-K826 HydrophobicContact CG-CD 4.28Å; E786-K826 PolarHBondContact N-O 3.43Å; E786-K826 PolarHBondContact O-N 2.91Å; E786-K826 WeakPolarHBondContact OE1-CD 3.23Å; E786-K826 WeakPolarHBondContact OE1-CE 3.02Å; E786-K826 IonicContact OE1-NZ 2.73Å; E786-K826 PolarHBondContact OE1-NZ 3.26Å; E786-K826 WeakPolarHBondContact OE2-CD 3.36Å; E786-K826 IonicContact OE2-NZ 3.31Å
787	P	94.9	Very high	85.4	Confident	15 Å²	15	91.7 Å²	91.7	10%	0.097	46%	0.462	C	S	.	.	S	Bend	cis	-72.6	154.7	-3.7	32.1	-37	0	0	0	112.5	L784 I789 I801 I809 W811	L784-P787 WeakPolarHBondContact CD2-O 3.28Å; P787-I789 HydrophobicContact CG-CD1 4.19Å; P787-I789 HydrophobicContact CG-CG1 4.22Å; P787-I789 PolarHBondContact O-N 2.9Å; P787-I801 HydrophobicContact CB-CD1 4.12Å; P787-I801 HydrophobicContact CB-CG2 3.85Å; P787-I801 HydrophobicContact CG-CG2 3.51Å; P787-I809 HydrophobicContact CG-CG2 3.98Å; P787-W811 HydrophobicContact CG-CZ2 4.13Å
788	S	91.3	Very high	85.9	Confident	114 Å²	114	93.1 Å²	93.1	80%	0.797	48%	0.476	S	S	*	.			trans	-77.6	105.7	175.4	-178.6	0	0	0	0	110.6
789	I	87.6	Confident	86.6	Confident	28 Å²	28	90.4 Å²	90.4	14%	0.144	46%	0.456	C	S	.	.			trans	-105.6	122.9	-178.3	-60.3	174.6	0	0	0	109.4	L784 P787 I801 I803 I809	L784-I789 HydrophobicContact CD2-CD1 3.88Å; L784-I789 HydrophobicContact CD2-CG1 4.29Å; P787-I789 HydrophobicContact CG-CD1 4.19Å; P787-I789 HydrophobicContact CG-CG1 4.22Å; P787-I789 PolarHBondContact O-N 2.9Å; I789-I801 HydrophobicContact CD1-CG2 3.94Å; I789-I801 HydrophobicContact CG1-CG2 3.86Å; I789-I803 HydrophobicContact CD1-CD1 4.13Å; I789-I803 HydrophobicContact CD1-CG1 3.47Å; I789-I803 VanDerWaalsContact CD1-CG1 3.47Å; I789-I809 HydrophobicContact CD1-CD1 4.2Å
790	K	81.2	Confident	87.3	Confident	198 Å²	198	87.2 Å²	87.2	86%	0.861	45%	0.45	S	S	*	.	S	Bend	trans	-74.6	127.4	171.2	-63.9	-176.3	179.6	-177.9	0	109.3
791	N	79.7	Confident	87.9	Confident	127 Å²	127	88.1 Å²	88.1	68%	0.679	46%	0.455	S	S	*	.	S	Bend	trans	57.7	62.9	-179.2	-57.7	-12	0	0	0	114	D793 K794	N791-D793 PolarHBondContact O-N 2.85Å; N791-K794 PolarHBondContact O-N 3.26Å; N791-K794 VanDerWaalsContact O-N 3.1Å
792	P	78.8	Confident	88.3	Confident	53 Å²	53	83.1 Å²	83.1	34%	0.344	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.4	-172.8	25.9	-36	0	0	0	115.5	I803	P792-I803 HydrophobicContact CB-CD1 3.59Å; P792-I803 HydrophobicContact CB-CG1 4.34Å
793	D	78.8	Confident	88.4	Confident	135 Å²	135	81.2 Å²	81.2	72%	0.722	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-11.5	179.3	-61.4	-57.4	0	0	0	114.2	N791 K807	N791-D793 PolarHBondContact O-N 2.85Å; D793-K807 IonicContact OD1-NZ 3.02Å; D793-K807 PolarHBondContact OD1-NZ 2.94Å
794	K	84	Confident	88.4	Confident	165 Å²	165	77.3 Å²	77.3	72%	0.717	41%	0.406	S	S	*	.	S	Bend	trans	-105.6	104.8	177.8	-170	176.5	-178.2	-179.9	0	110.6	N791 D796	N791-K794 PolarHBondContact O-N 3.26Å; N791-K794 VanDerWaalsContact O-N 3.1Å; K794-D796 PolarHBondContact O-N 2.99Å
795	Y	86.9	Confident	88	Confident	86 Å²	86	83.9 Å²	83.9	34%	0.337	43%	0.433	S	S	.	.			trans	-63.4	124	169.7	177.6	-105.3	0	0	0	110.7	P797 R802 I803 K805	Y795-P797 HydrophobicContact CE1-CB 4.19Å; Y795-P797 HydrophobicContact CE1-CG 4.34Å; Y795-R802 HydrophobicContact CE2-CG 4.39Å; Y795-I803 WeakPolarHBondContact CD2-O 3.44Å; Y795-K805 HydrophobicContact CD1-CG 4.47Å; Y795-K805 HydrophobicContact CG-CG 4.35Å
796	D	87.5	Confident	87.6	Confident	46 Å²	46	85 Å²	85	25%	0.246	44%	0.443	C	S	.	.			trans	-135.6	108.7	175.9	177.7	-5.7	0	0	0	108.4	K794 T798 K799 R802	K794-D796 PolarHBondContact O-N 2.99Å; D796-T798 VanDerWaalsContact CG-OG1 3.27Å; D796-T798 PolarHBondContact O-N 2.91Å; D796-T798 WeakPolarHBondContact OD1-CB 3.44Å; D796-T798 PolarHBondContact OD1-N 2.87Å; D796-T798 PolarHBondContact OD1-OG1 2.63Å; D796-T798 PolarHBondContact OD2-OG1 3.4Å; D796-K799 HydrophobicContact CB-CG 3.96Å; D796-K799 PolarHBondContact O-N 2.84Å; D796-K799 VanDerWaalsContact OD2-CE 3.23Å; D796-K799 WeakPolarHBondContact OD2-CE 3.48Å; D796-K799 IonicContact OD2-NZ 2.81Å; D796-R802 VanDerWaalsContact O-CD 3.24Å; D796-R802 WeakPolarHBondContact O-CD 3.43Å
797	P	84.9	Confident	87.1	Confident	77 Å²	77	85.7 Å²	85.7	50%	0.5	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.1	-177.4	29.8	-35.4	0	0	0	113.4	Y795 K799 R802	Y795-P797 HydrophobicContact CE1-CB 4.19Å; Y795-P797 HydrophobicContact CE1-CG 4.34Å; P797-K799 VanDerWaalsContact C-N 3.32Å; P797-R802 PolarHBondContact O-NH1 3Å; P797-R802 VanDerWaalsContact O-NH1 3.16Å
798	T	88	Confident	87	Confident	110 Å²	110	86.2 Å²	86.2	68%	0.675	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.5	177	72.3	0	0	0	0	113.1	D796	D796-T798 VanDerWaalsContact CG-OG1 3.27Å; D796-T798 PolarHBondContact O-N 2.91Å; D796-T798 WeakPolarHBondContact OD1-CB 3.44Å; D796-T798 PolarHBondContact OD1-N 2.87Å; D796-T798 PolarHBondContact OD1-OG1 2.63Å; D796-T798 PolarHBondContact OD2-OG1 3.4Å
799	K	91.3	Very high	87.2	Confident	109 Å²	109	80.8 Å²	80.8	47%	0.474	41%	0.411	S	S	.	.	S	Bend	trans	-82.8	139.5	178.9	-59.1	-54.3	-179.3	-155.1	0	111.1	D796 P797 I801 R802	D796-K799 HydrophobicContact CB-CG 3.96Å; D796-K799 PolarHBondContact O-N 2.84Å; D796-K799 VanDerWaalsContact OD2-CE 3.23Å; D796-K799 WeakPolarHBondContact OD2-CE 3.48Å; D796-K799 IonicContact OD2-NZ 2.81Å; P797-K799 VanDerWaalsContact C-N 3.32Å; K799-I801 VanDerWaalsContact C-N 3.26Å; K799-I801 PolarHBondContact O-N 2.95Å; K799-R802 HydrophobicContact CB-CB 4.45Å; K799-R802 PolarHBondContact O-NH1 2.73Å
800	P	92.6	Very high	87.6	Confident	81 Å²	81	80.4 Å²	80.4	53%	0.526	41%	0.409	S	S	.	.	S	Bend	trans	-73.2	-18.4	177.9	31.2	-36.4	0	0	0	112.7	W811 D812	P800-W811 CarbonylContact O-C 3.54Å; P800-W811 WeakPolarHBondContact O-CA 3.19Å; P800-D812 PolarHBondContact O-N 2.96Å
801	I	94.1	Very high	88.3	Confident	60 Å²	60	71.2 Å²	71.2	31%	0.308	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.9	171.5	-49.2	-179.2	0	0	0	107.8	P787 I789 K799 E810	P787-I801 HydrophobicContact CB-CD1 4.12Å; P787-I801 HydrophobicContact CB-CG2 3.85Å; P787-I801 HydrophobicContact CG-CG2 3.51Å; I789-I801 HydrophobicContact CD1-CG2 3.94Å; I789-I801 HydrophobicContact CG1-CG2 3.86Å; K799-I801 VanDerWaalsContact C-N 3.26Å; K799-I801 PolarHBondContact O-N 2.95Å; I801-E810 WeakPolarHBondContact CA-O 3.35Å
802	R	94.1	Very high	89.1	Confident	17 Å²	17	67.2 Å²	67.2	6%	0.064	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	159.1	-171.6	59	-164.4	178.7	-115.9	-3.9	111.8	Y795 D796 P797 K799 E810 D812	Y795-R802 HydrophobicContact CE2-CG 4.39Å; D796-R802 VanDerWaalsContact O-CD 3.24Å; D796-R802 WeakPolarHBondContact O-CD 3.43Å; P797-R802 PolarHBondContact O-NH1 3Å; P797-R802 VanDerWaalsContact O-NH1 3.16Å; K799-R802 HydrophobicContact CB-CB 4.45Å; K799-R802 PolarHBondContact O-NH1 2.73Å; R802-E810 HydrophobicContact CG-CB 3.81Å; R802-E810 IonicContact CZ-OE2 3.12Å; R802-E810 VanDerWaalsContact CZ-OE2 3.25Å; R802-E810 PolarHBondContact N-O 3.23Å; R802-E810 IonicContact NE-OE2 3.84Å; R802-E810 PolarHBondContact NE-OE2 3.33Å; R802-E810 IonicContact NH2-OE2 2.7Å; R802-E810 PolarHBondContact NH2-OE2 3.26Å; R802-E810 PolarHBondContact O-N 3.05Å; R802-D812 IonicContact CZ-OD2 3.5Å; R802-D812 IonicContact NH1-OD2 3.12Å; R802-D812 PolarHBondContact NH1-OD2 3.19Å; R802-D812 IonicContact NH2-OD2 3.74Å; R802-D812 PolarHBondContact NH2-OD2 3.16Å
803	I	91.5	Very high	89.9	Confident	11 Å²	11	65.5 Å²	65.5	6%	0.056	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.6	169.9	-49.8	-164.6	0	0	0	108.2	L772 L784 I789 P792 Y795 K807 S808 I809	L772-I803 HydrophobicContact CD2-CD1 4.36Å; L784-I803 HydrophobicContact CD2-CD1 4.03Å; I789-I803 HydrophobicContact CD1-CD1 4.13Å; I789-I803 HydrophobicContact CD1-CG1 3.47Å; I789-I803 VanDerWaalsContact CD1-CG1 3.47Å; P792-I803 HydrophobicContact CB-CD1 3.59Å; P792-I803 HydrophobicContact CB-CG1 4.34Å; Y795-I803 WeakPolarHBondContact CD2-O 3.44Å; I803-K807 HydrophobicContact CG2-CB 4.48Å; I803-K807 HydrophobicContact CG2-CD 3.93Å; I803-S808 CarbonylContact C-O 3.56Å; I803-S808 WeakPolarHBondContact CA-O 3.1Å; I803-I809 HydrophobicContact CB-CD1 4.5Å; I803-I809 HydrophobicContact CD1-CD1 3.94Å; I803-I809 HydrophobicContact CG1-CD1 3.73Å; I803-I809 HydrophobicContact CG2-CD1 4.45Å
804	S	90	Very high	90.7	Very high	11 Å²	11	63.9 Å²	63.9	8%	0.077	32%	0.323	C	S	.	.			trans	-66	164.2	178.7	86.8	0	0	0	0	111.9	T806 K807 S808 E810	S804-T806 PolarHBondContact O-N 3.19Å; S804-T806 VanDerWaalsContact O-N 3.11Å; S804-T806 PolarHBondContact OG-N 2.82Å; S804-T806 VanDerWaalsContact OG-N 3.11Å; S804-T806 PolarHBondContact OG-OG1 2.83Å; S804-K807 PolarHBondContact O-N 3.37Å; S804-K807 PolarHBondContact OG-N 3Å; S804-S808 PolarHBondContact N-O 3.25Å; S804-S808 WeakPolarHBondContact OG-CB 3.46Å; S804-S808 PolarHBondContact OG-N 3.25Å; S804-S808 PolarHBondContact OG-OG 3.1Å; S804-E810 WeakPolarHBondContact CB-OE1 3.44Å
805	K	84.3	Confident	91.3	Very high	187 Å²	187	56 Å²	56	81%	0.813	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.8	172.2	-64.4	-177.8	-178.4	177.9	0	113.2	Y795 K807	Y795-K805 HydrophobicContact CD1-CG 4.47Å; Y795-K805 HydrophobicContact CG-CG 4.35Å; K805-K807 VanDerWaalsContact C-N 3.34Å
806	T	83.2	Confident	91.8	Very high	92 Å²	92	54 Å²	54	56%	0.564	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	14.4	175.7	58.2	0	0	0	0	113	S804 S808	S804-T806 PolarHBondContact O-N 3.19Å; S804-T806 VanDerWaalsContact O-N 3.11Å; S804-T806 PolarHBondContact OG-N 2.82Å; S804-T806 VanDerWaalsContact OG-N 3.11Å; S804-T806 PolarHBondContact OG-OG1 2.83Å; T806-S808 PolarHBondContact O-N 2.81Å; T806-S808 PolarHBondContact OG1-OG 3.03Å
807	K	85.1	Confident	92.3	Very high	78 Å²	78	54.5 Å²	54.5	34%	0.339	30%	0.295	S	S	.	.	S	Bend	trans	58.4	28.6	-176.5	-61.4	-68	-171.1	176.9	0	114.2	L772 V774 D793 I803 S804 K805	L772-K807 WeakPolarHBondContact CB-O 3.43Å; L772-K807 PolarHBondContact N-O 2.57Å; V774-K807 HydrophobicContact CG2-CB 3.59Å; V774-K807 HydrophobicContact CG2-CG 3.97Å; D793-K807 IonicContact OD1-NZ 3.02Å; D793-K807 PolarHBondContact OD1-NZ 2.94Å; I803-K807 HydrophobicContact CG2-CB 4.48Å; I803-K807 HydrophobicContact CG2-CD 3.93Å; S804-K807 PolarHBondContact O-N 3.37Å; S804-K807 PolarHBondContact OG-N 3Å; K805-K807 VanDerWaalsContact C-N 3.34Å
808	S	91.9	Very high	92.9	Very high	26 Å²	26	58 Å²	58	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	148.5	166.6	-46.4	0	0	0	0	110.2	D770 I803 S804 T806	D770-S808 CarbonylContact O-C 3.52Å; D770-S808 WeakPolarHBondContact O-CA 3.24Å; I803-S808 CarbonylContact C-O 3.56Å; I803-S808 WeakPolarHBondContact CA-O 3.1Å; S804-S808 PolarHBondContact N-O 3.25Å; S804-S808 WeakPolarHBondContact OG-CB 3.46Å; S804-S808 PolarHBondContact OG-N 3.25Å; S804-S808 PolarHBondContact OG-OG 3.1Å; T806-S808 PolarHBondContact O-N 2.81Å; T806-S808 PolarHBondContact OG1-OG 3.03Å
809	I	94.7	Very high	93.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.6	169.2	-53.8	-57.2	0	0	0	108.4	I769 D770 L772 L784 P787 I789 I803 W811 L825	I769-I809 WeakPolarHBondContact CA-O 3.42Å; D770-I809 PolarHBondContact N-O 3.05Å; D770-I809 PolarHBondContact O-N 2.8Å; L772-I809 HydrophobicContact CB-CD1 4.07Å; L772-I809 HydrophobicContact CB-CG1 4.06Å; L772-I809 HydrophobicContact CD2-CD1 4.32Å; L784-I809 HydrophobicContact CD1-CD1 4.41Å; L784-I809 HydrophobicContact CD2-CD1 4.12Å; P787-I809 HydrophobicContact CG-CG2 3.98Å; I789-I809 HydrophobicContact CD1-CD1 4.2Å; I803-I809 HydrophobicContact CB-CD1 4.5Å; I803-I809 HydrophobicContact CD1-CD1 3.94Å; I803-I809 HydrophobicContact CG1-CD1 3.73Å; I803-I809 HydrophobicContact CG2-CD1 4.45Å; I809-W811 HydrophobicContact CB-CH2 4.02Å; I809-W811 HydrophobicContact CB-CZ2 4.49Å; I809-W811 HydrophobicContact CB-CZ3 4.1Å; I809-W811 HydrophobicContact CG2-CD2 4.05Å; I809-W811 HydrophobicContact CG2-CE3 4.02Å; I809-W811 HydrophobicContact CG2-CH2 3.6Å; I809-W811 HydrophobicContact CG2-CZ2 3.62Å; I809-W811 HydrophobicContact CG2-CZ3 3.8Å; I809-L825 HydrophobicContact CG1-CD1 3.95Å; I809-L825 HydrophobicContact CG1-CD2 4.48Å
810	E	96.2	Very high	93.7	Very high	20 Å²	20	53.2 Å²	53.2	9%	0.093	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.5	176.8	-69.1	176.1	-151.8	0	0	109.5	L767 V768 I769 I801 R802 S804	L767-E810 HydrophobicContact CD1-CB 4.03Å; L767-E810 HydrophobicContact CD1-CG 4.41Å; V768-E810 WeakPolarHBondContact O-CA 3.35Å; I769-E810 HydrophobicContact CD1-CG 4.28Å; I769-E810 HydrophobicContact CG1-CG 4.18Å; I769-E810 HydrophobicContact CG2-CG 4.38Å; I801-E810 WeakPolarHBondContact CA-O 3.35Å; R802-E810 HydrophobicContact CG-CB 3.81Å; R802-E810 IonicContact CZ-OE2 3.12Å; R802-E810 VanDerWaalsContact CZ-OE2 3.25Å; R802-E810 PolarHBondContact N-O 3.23Å; R802-E810 IonicContact NE-OE2 3.84Å; R802-E810 PolarHBondContact NE-OE2 3.33Å; R802-E810 IonicContact NH2-OE2 2.7Å; R802-E810 PolarHBondContact NH2-OE2 3.26Å; R802-E810 PolarHBondContact O-N 3.05Å; S804-E810 WeakPolarHBondContact CB-OE1 3.44Å
811	W	96.9	Very high	93.9	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.019	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.6	166.7	-56.6	-103.6	0	0	0	109.1	I754 L767 V768 D770 P787 P800 I809 I813 L823 L825	I754-W811 HydrophobicContact CD1-CH2 4.42Å; I754-W811 HydrophobicContact CD1-CZ3 4.28Å; L767-W811 CarbonylContact C-O 3.6Å; L767-W811 WeakPolarHBondContact CA-O 3.39Å; V768-W811 HydrophobicContact CB-CB 4.38Å; V768-W811 HydrophobicContact CB-CE3 4.06Å; V768-W811 HydrophobicContact CG1-CE3 3.98Å; V768-W811 HydrophobicContact CG1-CZ3 4.28Å; V768-W811 PolarHBondContact N-O 3.01Å; V768-W811 PolarHBondContact O-N 2.8Å; D770-W811 HydrophobicContact CB-CH2 4.35Å; D770-W811 HydrophobicContact CB-CZ3 4.05Å; P787-W811 HydrophobicContact CG-CZ2 4.13Å; P800-W811 CarbonylContact O-C 3.54Å; P800-W811 WeakPolarHBondContact O-CA 3.19Å; I809-W811 HydrophobicContact CB-CH2 4.02Å; I809-W811 HydrophobicContact CB-CZ2 4.49Å; I809-W811 HydrophobicContact CB-CZ3 4.1Å; I809-W811 HydrophobicContact CG2-CD2 4.05Å; I809-W811 HydrophobicContact CG2-CE3 4.02Å; I809-W811 HydrophobicContact CG2-CH2 3.6Å; I809-W811 HydrophobicContact CG2-CZ2 3.62Å; I809-W811 HydrophobicContact CG2-CZ3 3.8Å; W811-I813 HydrophobicContact CB-CG2 4.12Å; W811-L823 HydrophobicContact CB-CD1 3.98Å; W811-L823 HydrophobicContact CD2-CB 4.49Å; W811-L823 HydrophobicContact CD2-CD1 4.08Å; W811-L823 HydrophobicContact CE3-CD1 4.38Å; W811-L823 HydrophobicContact CG-CD1 3.94Å; W811-L823 HydrophobicContact CG-CD2 4.25Å; W811-L825 HydrophobicContact CH2-CB 3.98Å; W811-L825 HydrophobicContact CZ2-CB 4.24Å
812	D	95.6	Very high	94.1	Very high	43 Å²	43	55.7 Å²	55.7	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	94.6	173.4	-147	-31.4	0	0	0	107.2	Q661 L767 P800 R802	Q661-D812 PolarHBondContact NE2-OD1 3.06Å; Q661-D812 VanDerWaalsContact NE2-OD1 3.11Å; Q661-D812 PolarHBondContact NE2-OD2 3.25Å; L767-D812 HydrophobicContact CD1-CB 4.28Å; P800-D812 PolarHBondContact O-N 2.96Å; R802-D812 IonicContact CZ-OD2 3.5Å; R802-D812 IonicContact NH1-OD2 3.12Å; R802-D812 PolarHBondContact NH1-OD2 3.19Å; R802-D812 IonicContact NH2-OD2 3.74Å; R802-D812 PolarHBondContact NH2-OD2 3.16Å
813	I	96.2	Very high	94.2	Very high	17 Å²	17	55.5 Å²	55.5	9%	0.087	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.3	-170.6	53.7	162.3	0	0	0	111.8	V756 K765 L766 V768 W811 L815 L823	V756-I813 HydrophobicContact CG2-CD1 3.69Å; K765-I813 CarbonylContact C-O 3.52Å; K765-I813 WeakPolarHBondContact CA-O 3.35Å; L766-I813 HydrophobicContact CB-CG1 4.17Å; L766-I813 HydrophobicContact CD2-CD1 4.44Å; L766-I813 PolarHBondContact N-O 2.89Å; L766-I813 WeakPolarHBondContact O-CG1 3.38Å; L766-I813 PolarHBondContact O-N 2.65Å; V768-I813 HydrophobicContact CG2-CD1 4.26Å; W811-I813 HydrophobicContact CB-CG2 4.12Å; I813-L815 HydrophobicContact CD1-CD1 4.46Å; I813-L815 HydrophobicContact CD1-CD2 4.15Å; I813-L815 HydrophobicContact CD1-CG 4.16Å; I813-L823 HydrophobicContact CD1-CD1 4.19Å; I813-L823 HydrophobicContact CG2-CD2 4.36Å
814	E	96	Very high	94.5	Very high	100 Å²	100	56.5 Å²	56.5	47%	0.467	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.4	165.6	-167.8	161.5	172.2	0	0	108.6	M764 K765 R821	M764-E814 CarbonylContact O-C 3.52Å; M764-E814 WeakPolarHBondContact O-CA 3.12Å; K765-E814 WeakPolarHBondContact CE-OE2 3.3Å; K765-E814 HydrophobicContact CG-CB 4.4Å; K765-E814 HydrophobicContact CG-CG 4.22Å; K765-E814 IonicContact NZ-OE2 2.86Å; K765-E814 PolarHBondContact NZ-OE2 2.84Å; E814-R821 VanDerWaalsContact O-CZ 3.23Å; E814-R821 PolarHBondContact O-NH1 2.86Å; E814-R821 PolarHBondContact O-NH2 2.84Å
815	L	96.6	Very high	94.8	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129	174.4	-68.1	171.1	0	0	0	108.6	V756 N758 S763 M764 L766 I813 E819 R821	V756-L815 HydrophobicContact CB-CD1 4.46Å; V756-L815 HydrophobicContact CG2-CD1 4.27Å; V756-L815 HydrophobicContact CG2-CD2 4.4Å; N758-L815 HydrophobicContact CB-CB 3.98Å; N758-L815 HydrophobicContact CB-CD1 4.18Å; S763-L815 CarbonylContact C-O 3.53Å; S763-L815 WeakPolarHBondContact CA-O 3.39Å; M764-L815 HydrophobicContact CG-CB 4.18Å; M764-L815 PolarHBondContact N-O 3.19Å; M764-L815 PolarHBondContact O-N 2.78Å; L766-L815 HydrophobicContact CD2-CD1 4.2Å; I813-L815 HydrophobicContact CD1-CD1 4.46Å; I813-L815 HydrophobicContact CD1-CD2 4.15Å; I813-L815 HydrophobicContact CD1-CG 4.16Å; L815-E819 WeakPolarHBondContact CA-OE2 3.44Å; L815-E819 HydrophobicContact CD2-CG 4.41Å; L815-R821 HydrophobicContact CD2-CB 3.72Å
816	A	97.7	Very high	95.3	Very high	43 Å²	43	49 Å²	49	36%	0.355	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-69.6	167.9	172.7	0	0	0	0	0	111.3	N758 Y818 E819	N758-A816 PolarHBondContact ND2-O 3.02Å; A816-Y818 PolarHBondContact O-N 3.47Å; A816-E819 HydrophobicContact CB-CB 4.11Å; A816-E819 PolarHBondContact N-OE2 2.97Å; A816-E819 WeakPolarHBondContact O-CB 3.4Å; A816-E819 PolarHBondContact O-N 2.89Å; A816-E819 VanDerWaalsContact O-N 3.15Å
817	P	97.9	Very high	95.8	Very high	57 Å²	57	44.8 Å²	44.8	37%	0.37	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	130.7	173.5	-25.3	34.9	0	0	0	111.5	Y760 E819	Y760-P817 WeakPolarHBondContact O-CA 3.37Å; P817-E819 PolarHBondContact O-N 2.87Å; P817-E819 VanDerWaalsContact O-N 3.12Å
818	Y	97.5	Very high	96	Very high	152 Å²	152	41.7 Å²	41.7	60%	0.596	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	16.4	-179.5	-50.2	-65.9	0	0	0	115.8	N758 S759 Y760 P761 A816	N758-Y818 CarbonylContact O-C 3.6Å; N758-Y818 WeakPolarHBondContact O-CA 3.41Å; N758-Y818 PolarHBondContact O-N 2.93Å; S759-Y818 WeakPolarHBondContact O-CE1 3.08Å; Y760-Y818 PolarHBondContact O-N 3.42Å; P761-Y818 HydrophobicContact CB-CE2 4.12Å; A816-Y818 PolarHBondContact O-N 3.47Å
819	E	98.1	Very high	95.9	Very high	52 Å²	52	41.1 Å²	41.1	24%	0.243	21%	0.207	C	C	.	.			trans	-78.7	133.6	179	-167.6	-172.3	166	0	0	112.1	E757 N758 L815 A816 P817 R821	E757-E819 WeakPolarHBondContact CA-O 3.42Å; N758-E819 PolarHBondContact N-O 2.96Å; L815-E819 WeakPolarHBondContact CA-OE2 3.44Å; L815-E819 HydrophobicContact CD2-CG 4.41Å; A816-E819 HydrophobicContact CB-CB 4.11Å; A816-E819 PolarHBondContact N-OE2 2.97Å; A816-E819 WeakPolarHBondContact O-CB 3.4Å; A816-E819 PolarHBondContact O-N 2.89Å; A816-E819 VanDerWaalsContact O-N 3.15Å; P817-E819 PolarHBondContact O-N 2.87Å; P817-E819 VanDerWaalsContact O-N 3.12Å; E819-R821 IonicContact OE1-CZ 2.94Å; E819-R821 IonicContact OE1-NE 3.08Å; E819-R821 PolarHBondContact OE1-NE 2.94Å; E819-R821 IonicContact OE1-NH2 3.88Å; E819-R821 PolarHBondContact OE1-NH2 2.92Å; E819-R821 IonicContact OE2-CZ 3.67Å; E819-R821 IonicContact OE2-NH2 2.78Å; E819-R821 PolarHBondContact OE2-NH2 2.92Å
820	S	97.3	Very high	95.5	Very high	65 Å²	65	43.1 Å²	43.1	46%	0.455	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.6	162	-172.2	0	0	0	0	110.3	V756	V756-S820 CarbonylContact O-C 3.55Å; V756-S820 WeakPolarHBondContact O-CA 3.24Å
821	R	97.6	Very high	94.7	Very high	72 Å²	72	42.8 Å²	42.8	27%	0.272	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.8	-177.1	-167	179.4	-66.7	164	-0.2	110.6	V756 E814 L815 E819	V756-R821 HydrophobicContact CG2-CB 4.36Å; V756-R821 WeakPolarHBondContact CG2-O 3.35Å; V756-R821 PolarHBondContact N-O 2.81Å; V756-R821 PolarHBondContact O-N 3.11Å; E814-R821 VanDerWaalsContact O-CZ 3.23Å; E814-R821 PolarHBondContact O-NH1 2.86Å; E814-R821 PolarHBondContact O-NH2 2.84Å; L815-R821 HydrophobicContact CD2-CB 3.72Å; E819-R821 IonicContact OE1-CZ 2.94Å; E819-R821 IonicContact OE1-NE 3.08Å; E819-R821 PolarHBondContact OE1-NE 2.94Å; E819-R821 IonicContact OE1-NH2 3.88Å; E819-R821 PolarHBondContact OE1-NH2 2.92Å; E819-R821 IonicContact OE2-CZ 3.67Å; E819-R821 IonicContact OE2-NH2 2.78Å; E819-R821 PolarHBondContact OE2-NH2 2.92Å
822	E	97.3	Very high	93.6	Very high	122 Å²	122	44.7 Å²	44.7	57%	0.57	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93	134.6	170.9	-66.4	-162.4	153.6	0	0	111.5	V753	V753-E822 HydrophobicContact CG1-CB 4.43Å; V753-E822 HydrophobicContact CG1-CG 4.43Å
823	L	97.4	Very high	92.2	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.068	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.7	170.9	-54.8	175.9	0	0	0	108.5	I754 V756 V768 W811 I813	I754-L823 HydrophobicContact CB-CB 4.37Å; I754-L823 PolarHBondContact N-O 3.12Å; I754-L823 PolarHBondContact O-N 3.28Å; V756-L823 HydrophobicContact CG2-CD1 4.45Å; V768-L823 HydrophobicContact CB-CD1 3.72Å; V768-L823 HydrophobicContact CG1-CD1 3.89Å; V768-L823 HydrophobicContact CG2-CD1 3.55Å; W811-L823 HydrophobicContact CB-CD1 3.98Å; W811-L823 HydrophobicContact CD2-CB 4.49Å; W811-L823 HydrophobicContact CD2-CD1 4.08Å; W811-L823 HydrophobicContact CE3-CD1 4.38Å; W811-L823 HydrophobicContact CG-CD1 3.94Å; W811-L823 HydrophobicContact CG-CD2 4.25Å; I813-L823 HydrophobicContact CD1-CD1 4.19Å; I813-L823 HydrophobicContact CG2-CD2 4.36Å
824	V	96.8	Very high	90.4	Very high	31 Å²	31	51.4 Å²	51.4	19%	0.188	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.9	-176.9	-175.3	0	0	0	0	110	K751 Q752 V753 E786 K826	K751-V824 HydrophobicContact CD-CG1 4.34Å; K751-V824 HydrophobicContact CG-CG1 3.88Å; Q752-V824 WeakPolarHBondContact O-CA 3.12Å; V753-V824 HydrophobicContact CG2-CG2 4.42Å; E786-V824 CarbonylContact C-O 3.57Å; E786-V824 HydrophobicContact CB-CG1 4.49Å; E786-V824 WeakPolarHBondContact OE2-CG1 3.46Å; V824-K826 HydrophobicContact CG1-CB 4.36Å
825	L	96.1	Very high	88.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.6	166.1	171.5	56.2	0	0	0	109	Q752 D770 L772 L784 E786 I809 W811 Y827	Q752-L825 HydrophobicContact CB-CB 4.23Å; Q752-L825 PolarHBondContact N-O 3.24Å; Q752-L825 PolarHBondContact O-N 2.7Å; D770-L825 HydrophobicContact CB-CD2 4.2Å; L772-L825 HydrophobicContact CD1-CD1 4.5Å; L784-L825 HydrophobicContact CD1-CD1 3.6Å; E786-L825 CarbonylContact O-C 3.6Å; E786-L825 WeakPolarHBondContact O-CA 3.13Å; I809-L825 HydrophobicContact CG1-CD1 3.95Å; I809-L825 HydrophobicContact CG1-CD2 4.48Å; W811-L825 HydrophobicContact CH2-CB 3.98Å; W811-L825 HydrophobicContact CZ2-CB 4.24Å; L825-Y827 HydrophobicContact CD1-CD1 4.08Å; L825-Y827 HydrophobicContact CD2-CE1 4.38Å; L825-Y827 HydrophobicContact CG-CD1 4.07Å; L825-Y827 HydrophobicContact CG-CE1 4.15Å
826	K	94.9	Very high	86.3	Confident	40 Å²	40	60.4 Å²	60.4	17%	0.174	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.2	-177.7	-168	-175.6	176.8	179.4	0	109.6	V749 C750 K751 I785 E786 V824	V749-K826 HydrophobicContact CG1-CG 3.82Å; C750-K826 VanDerWaalsContact O-CA 3.24Å; C750-K826 WeakPolarHBondContact O-CA 3.38Å; K751-K826 HydrophobicContact CB-CG 4.37Å; I785-K826 WeakPolarHBondContact CA-O 3.34Å; I785-K826 HydrophobicContact CB-CB 4.28Å; I785-K826 HydrophobicContact CB-CD 4.28Å; I785-K826 HydrophobicContact CB-CG 4.18Å; I785-K826 WeakPolarHBondContact CB-O 3.29Å; I785-K826 HydrophobicContact CD1-CG 4.28Å; I785-K826 HydrophobicContact CG2-CD 3.97Å; I785-K826 HydrophobicContact CG2-CG 4.42Å; I785-K826 PolarHBondContact N-O 2.8Å; E786-K826 HydrophobicContact CB-CB 3.85Å; E786-K826 HydrophobicContact CG-CB 4.43Å; E786-K826 HydrophobicContact CG-CD 4.28Å; E786-K826 PolarHBondContact N-O 3.43Å; E786-K826 PolarHBondContact O-N 2.91Å; E786-K826 WeakPolarHBondContact OE1-CD 3.23Å; E786-K826 WeakPolarHBondContact OE1-CE 3.02Å; E786-K826 IonicContact OE1-NZ 2.73Å; E786-K826 PolarHBondContact OE1-NZ 3.26Å; E786-K826 WeakPolarHBondContact OE2-CD 3.36Å; E786-K826 IonicContact OE2-NZ 3.31Å; V824-K826 HydrophobicContact CG1-CB 4.36Å
827	Y	93.4	Very high	84.3	Confident	3 Å²	3	61 Å²	61	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.4	179.3	51.7	-89.5	0	0	0	111.6	K731 V749 C750 L772 P773 I782 Q783 L825 V829	K731-Y827 PolarHBondContact NZ-OH 3.5Å; V749-Y827 WeakPolarHBondContact CA-O 3.33Å; C750-Y827 HydrophobicContact CB-CD1 4.44Å; C750-Y827 HydrophobicContact CB-CD2 3.93Å; C750-Y827 HydrophobicContact CB-CE1 4.03Å; C750-Y827 HydrophobicContact CB-CE2 3.45Å; C750-Y827 VanDerWaalsContact CB-CE2 3.45Å; C750-Y827 HydrophobicContact CB-CG 4.4Å; C750-Y827 PolarHBondContact N-O 2.93Å; C750-Y827 PolarHBondContact O-N 2.64Å; L772-Y827 HydrophobicContact CD1-CD1 3.93Å; L772-Y827 HydrophobicContact CD1-CG 3.96Å; P773-Y827 HydrophobicContact CG-CE1 4.35Å; P773-Y827 HydrophobicContact CG-CE2 3.75Å; P773-Y827 WeakPolarHBondContact CG-OH 3.49Å; I782-Y827 HydrophobicContact CG2-CD2 4.38Å; Q783-Y827 CarbonylContact O-C 3.55Å; Q783-Y827 WeakPolarHBondContact O-CA 3.35Å; Q783-Y827 VanDerWaalsContact O-CB 3.28Å; Q783-Y827 WeakPolarHBondContact O-CB 3.45Å; L825-Y827 HydrophobicContact CD1-CD1 4.08Å; L825-Y827 HydrophobicContact CD2-CE1 4.38Å; L825-Y827 HydrophobicContact CG-CD1 4.07Å; L825-Y827 HydrophobicContact CG-CE1 4.15Å; Y827-V829 HydrophobicContact CD2-CG2 3.88Å; Y827-V829 HydrophobicContact CE2-CG2 3.99Å
828	L	90.8	Very high	82.1	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.073	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136	170.4	-163.6	67.1	0	0	0	109.1	V749 I782 Q783 I785 E830	V749-L828 HydrophobicContact CG2-CD1 3.63Å; I782-L828 WeakPolarHBondContact CA-O 3.38Å; Q783-L828 HydrophobicContact CB-CB 4.19Å; Q783-L828 PolarHBondContact N-O 2.89Å; Q783-L828 PolarHBondContact O-N 2.81Å; I785-L828 HydrophobicContact CD1-CB 4.15Å; L828-E830 HydrophobicContact CD2-CG 3.69Å; L828-E830 HydrophobicContact CG-CG 3.9Å
829	V	89.5	Confident	80	Confident	13 Å²	13	60.9 Å²	60.9	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.8	164.7	-176.3	0	0	0	0	107.4	S747 I748 L780 K781 Y827 I837	S747-V829 CarbonylContact C-O 3.6Å; S747-V829 VanDerWaalsContact CA-O 3.3Å; S747-V829 WeakPolarHBondContact CA-O 3.18Å; I748-V829 PolarHBondContact N-O 2.78Å; I748-V829 PolarHBondContact O-N 2.7Å; L780-V829 HydrophobicContact CD2-CG1 4.4Å; K781-V829 CarbonylContact O-C 3.6Å; K781-V829 WeakPolarHBondContact O-CA 3.46Å; Y827-V829 HydrophobicContact CD2-CG2 3.88Å; Y827-V829 HydrophobicContact CE2-CG2 3.99Å; V829-I837 HydrophobicContact CG1-CD1 3.89Å
830	E	85.6	Confident	77.2	Confident	42 Å²	42	62.3 Å²	62.3	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.6	176.2	-47.1	-175	121.7	0	0	110.3	T745 M746 K781 Q783 L828	T745-E830 HydrophobicContact CG2-CB 4.45Å; M746-E830 WeakPolarHBondContact O-CA 3.44Å; K781-E830 HydrophobicContact CB-CB 4.24Å; K781-E830 PolarHBondContact N-O 2.81Å; K781-E830 PolarHBondContact O-N 2.85Å; Q783-E830 PolarHBondContact NE2-OE2 2.86Å; L828-E830 HydrophobicContact CD2-CG 3.69Å; L828-E830 HydrophobicContact CG-CG 3.9Å
831	Y	80.5	Confident	74.4	Confident	14 Å²	14	63.2 Å²	63.2	6%	0.055	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	158.4	-172.1	64	-80.2	0	0	0	113.4	T745 M746 I748 I837	T745-Y831 CarbonylContact C-O 3.55Å; T745-Y831 WeakPolarHBondContact CA-O 3.34Å; T745-Y831 WeakPolarHBondContact CG2-O 3.41Å; M746-Y831 HydrophobicContact CB-CD1 4.15Å; M746-Y831 HydrophobicContact CB-CD2 4.29Å; M746-Y831 HydrophobicContact CB-CE1 3.68Å; M746-Y831 HydrophobicContact CB-CE2 3.85Å; M746-Y831 HydrophobicContact CB-CG 4.43Å; M746-Y831 PolarHBondContact N-O 2.82Å; M746-Y831 WeakPolarHBondContact O-CD1 3.28Å; M746-Y831 PolarHBondContact O-N 2.89Å; M746-Y831 HydrophobicContact SD-CE2 4.22Å; I748-Y831 HydrophobicContact CD1-CE1 3.79Å; I748-Y831 WeakPolarHBondContact CD1-OH 3.2Å; I748-Y831 HydrophobicContact CG1-CE1 3.98Å; Y831-I837 HydrophobicContact CD1-CD1 3.45Å; Y831-I837 VanDerWaalsContact CD1-CD1 3.45Å; Y831-I837 HydrophobicContact CD1-CG1 4.41Å; Y831-I837 HydrophobicContact CD2-CD1 3.79Å; Y831-I837 HydrophobicContact CD2-CG1 3.89Å; Y831-I837 HydrophobicContact CE1-CD1 3.92Å; Y831-I837 HydrophobicContact CE2-CD1 4.22Å; Y831-I837 HydrophobicContact CE2-CG1 4.21Å; Y831-I837 HydrophobicContact CG-CD1 3.39Å; Y831-I837 HydrophobicContact CG-CG1 4Å
832	P	73.9	Confident	71.2	Confident	44 Å²	44	66.3 Å²	66.3	29%	0.286	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	136.3	176.2	-14	29.3	0	0	0	111.2	K779 I834 K835	K779-P832 HydrophobicContact CB-CG 4.11Å; P832-I834 PolarHBondContact O-N 3.33Å; P832-K835 PolarHBondContact O-N 3.15Å
833	S	64.7	Low	67.9	Low	45 Å²	45	63.9 Å²	63.9	32%	0.315	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	13.2	-177.6	86.5	0	0	0	0	115.8	K744	K744-S833 VanDerWaalsContact CB-OG 3.27Å; K744-S833 WeakPolarHBondContact CB-OG 3.24Å; K744-S833 WeakPolarHBondContact O-CB 3.37Å; K744-S833 PolarHBondContact O-N 2.84Å
834	I	58.3	Low	64.4	Low	157 Å²	157	74.5 Å²	74.5	81%	0.805	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-12.4	-171.4	-57.2	170.8	0	0	0	110.9	P832	P832-I834 PolarHBondContact O-N 3.33Å
835	K	52.7	Low	62.8	Low	124 Å²	124	76.7 Å²	76.7	54%	0.539	43%	0.427	S	S	.	.	S	Bend	trans	-125.7	137.9	177.1	-67.3	-175.5	174.9	-175.5	0	110.3	E777 P832	E777-K835 IonicContact OE1-NZ 2.83Å; E777-K835 PolarHBondContact OE1-NZ 2.91Å; E777-K835 IonicContact OE2-NZ 2.85Å; P832-K835 PolarHBondContact O-N 3.15Å
836	D	55.4	Low	61.1	Low	164 Å²	164	80.7 Å²	80.7	88%	0.877	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-70.6	144.2	159.4	-75.7	-52.1	0	0	0	110.1
837	I	54.9	Low	59.2	Low	55 Å²	55	82.9 Å²	82.9	28%	0.282	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-98.1	121.1	174.3	-62.4	178.5	0	0	0	109	L780 V829 Y831 I839	L780-I837 HydrophobicContact CD2-CD1 3.54Å; L780-I837 HydrophobicContact CD2-CG1 4.09Å; V829-I837 HydrophobicContact CG1-CD1 3.89Å; Y831-I837 HydrophobicContact CD1-CD1 3.45Å; Y831-I837 VanDerWaalsContact CD1-CD1 3.45Å; Y831-I837 HydrophobicContact CD1-CG1 4.41Å; Y831-I837 HydrophobicContact CD2-CD1 3.79Å; Y831-I837 HydrophobicContact CD2-CG1 3.89Å; Y831-I837 HydrophobicContact CE1-CD1 3.92Å; Y831-I837 HydrophobicContact CE2-CD1 4.22Å; Y831-I837 HydrophobicContact CE2-CG1 4.21Å; Y831-I837 HydrophobicContact CG-CD1 3.39Å; Y831-I837 HydrophobicContact CG-CG1 4Å; I837-I839 HydrophobicContact CG2-CG1 3.61Å
838	D	52.3	Low	57.2	Low	137 Å²	137	87.6 Å²	87.6	73%	0.733	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-85.7	122.5	154.1	-170.1	12.1	0	0	0	109.9	S840	D838-S840 PolarHBondContact O-N 2.82Å
839	I	53.2	Low	55.1	Low	71 Å²	71	92.3 Å²	92.3	36%	0.364	52%	0.517	S	S	.	.			trans	-94.5	62.7	175.3	-50	179.9	0	0	0	107.6	I837	I837-I839 HydrophobicContact CG2-CG1 3.61Å
840	S	39.8	Very low	52.8	Low	81 Å²	81	97.5 Å²	97.5	57%	0.566	55%	0.547	S	S	*	.			trans	-67.9	138.5	173.7	60.3	0	0	0	0	109.6	D838 L842	D838-S840 PolarHBondContact O-N 2.82Å; S840-L842 PolarHBondContact O-N 3.35Å
841	T	37.9	Very low	50.5	Low	84 Å²	84	101.5 Å²	101.5	52%	0.515	57%	0.572	S	S	.	*			trans	-84.6	105.1	172.8	-55.6	0	0	0	0	107	K667 G843	K667-T841 PolarHBondContact NZ-OG1 3.12Å; K667-T841 VanDerWaalsContact NZ-OG1 3.07Å; T841-G843 PolarHBondContact O-N 3Å
842	L	30.1	Very low	48.1	Very low	138 Å²	138	108.2 Å²	108.2	72%	0.723	61%	0.611	S	S	*	*			trans	-58.4	105.2	164.1	-86.2	163	0	0	0	107.8	T776 S840	T776-L842 HydrophobicContact CG2-CD1 4.09Å; S840-L842 PolarHBondContact O-N 3.35Å
843	G	27	Very low	46	Very low	71 Å²	71	113.6 Å²	113.6	73%	0.732	64%	0.638	S	S	*	*			trans	-61.9	138	177.4	0	0	0	0	0	110.7	T841	T841-G843 PolarHBondContact O-N 3Å
844	I	25.8	Very low	44.3	Very low	236 Å²	236	119.8 Å²	119.8	100%	1.21	67%	0.668	S	S	*	*			trans	-94.1	0	167	-61.9	177.1	0	0	0	107.5

Retrieved 844 of 844 residues in 207.2 ms (Link to these results)

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