A0A096NS99_PAPAN Loading...

RING-type E3 ubiquitin-protein ligase PPIL2

Has a ubiquitin-protein ligase activity acting as an E3 ubiquitin protein ligase or as an ubiquitin-ubiquitin ligase promoting elongation of ubiquitin chains on substrates. By mediating 'Lys-48'-linked polyubiquitination of proteins could target them for proteasomal degradation. May also function as a chaperone, playing a role in transport to the cell membrane of BSG/Basigin for instance. Probable inactive PPIase with no peptidyl-prolyl cis-trans isomerase activity. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A096NS99, Species PAPAN (Papio anubis, Olive baboon), Gene PPIL2, Length 527 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	52.4	Low	256 Å²	256	174.8 Å²	174.8	100%	1.261	84%	0.836	S	S	*	*				0	124.3	0	-68.2	-155.2	-100.6	0	0	107.8
2	G	42.7	Very low	53.7	Low	67 Å²	67	173 Å²	173	69%	0.691	82%	0.816	S	S	*	*			cis	-176	137.3	-1.7	0	0	0	0	0	108.1
3	K	48.1	Very low	54.9	Low	211 Å²	211	167.1 Å²	167.1	92%	0.917	79%	0.791	S	S	*	*			trans	42.1	86.3	146.5	-56.4	-179.8	-179.8	-179.3	0	117.9
4	R	45.7	Very low	56.4	Low	257 Å²	257	158.4 Å²	158.4	97%	0.97	75%	0.754	S	S	*	*			trans	-137.6	54	146.9	-71.3	-166.4	179.7	-177.8	1	110.3
5	Q	52.8	Low	56.9	Low	167 Å²	167	155.3 Å²	155.3	78%	0.78	76%	0.755	S	S	*	*			trans	-118.5	128.4	170	-151.4	163.5	-0.5	0	0	106.7
6	H	50.7	Low	57.8	Low	172 Å²	172	149.4 Å²	149.4	80%	0.796	74%	0.739	S	S	*	*			trans	72.6	97.5	179.6	-64	-78.1	0	0	0	118.6
7	Q	55.3	Low	58.7	Low	140 Å²	140	144 Å²	144	65%	0.654	71%	0.711	S	S	*	*			trans	-171.1	67.4	131.6	-112	-179.8	11.5	0	0	109.7	K10	Q7-K10 VanDerWaalsContact CD-CE 3.46Å; Q7-K10 HydrophobicContact CG-CG 4.35Å
8	K	52.7	Low	59.2	Low	209 Å²	209	142.4 Å²	142.4	91%	0.909	70%	0.697	S	S	*	*	S	Bend	trans	-98.8	-11.2	167.5	-79.5	-170.9	176.1	-176.3	0	113.4
9	D	56.4	Low	59.6	Low	162 Å²	162	137.6 Å²	137.6	87%	0.866	68%	0.677	S	S	*	*			trans	-110.1	86.9	171.9	-68	-32.4	0	0	0	109.8
10	K	67.5	Low	59.6	Low	74 Å²	74	138.2 Å²	138.2	32%	0.322	68%	0.677	S	S	.	*			trans	-104.5	129.3	162.1	-64.4	174.8	-173.2	169.9	0	106.7	Q7 Y12	Q7-K10 VanDerWaalsContact CD-CE 3.46Å; Q7-K10 HydrophobicContact CG-CG 4.35Å; K10-Y12 WeakPolarHBondContact CB-O 3.19Å; K10-Y12 PolarHBondContact O-N 2.89Å; K10-Y12 VanDerWaalsContact O-N 3.12Å
11	M	64.9	Low	59.5	Low	208 Å²	208	139.6 Å²	139.6	100%	1.025	68%	0.68	S	S	*	*	S	Bend	trans	-69.2	-0.8	174.7	-75.2	-166.8	-169.3	0	0	113.6
12	Y	67.6	Low	60.7	Low	153 Å²	153	135.6 Å²	135.6	60%	0.6	65%	0.652	S	S	*	*	S	Bend	trans	-134.1	144.8	177.8	60.9	-89.4	0	0	0	109.7	K10 T14	K10-Y12 WeakPolarHBondContact CB-O 3.19Å; K10-Y12 PolarHBondContact O-N 2.89Å; K10-Y12 VanDerWaalsContact O-N 3.12Å; Y12-T14 HydrophobicContact CE2-CG2 4.29Å
13	I	70	Confident	61.3	Low	96 Å²	96	135.7 Å²	135.7	49%	0.492	65%	0.653	S	S	.	*			trans	-90.3	130.2	175.6	-57.6	173.8	0	0	0	107.3	E17 Y22	I13-E17 HydrophobicContact CG2-CB 3.7Å; I13-Y22 HydrophobicContact CG2-CD2 4.32Å
14	T	76.1	Confident	61.8	Low	45 Å²	45	127 Å²	127	28%	0.276	62%	0.623	S	S	.	*			trans	-72.7	155.4	175	62.2	0	0	0	0	111.3	Y12 A16 E17 Y18	Y12-T14 HydrophobicContact CE2-CG2 4.29Å; T14-A16 PolarHBondContact O-N 2.67Å; T14-A16 VanDerWaalsContact O-N 3.11Å; T14-E17 WeakPolarHBondContact CB-OE2 3.41Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.33Å; T14-E17 PolarHBondContact N-OE2 2.66Å; T14-E17 PolarHBondContact O-N 3.47Å; T14-E17 WeakPolarHBondContact OG1-CB 2.88Å; T14-E17 WeakPolarHBondContact OG1-CG 3.28Å; T14-E17 PolarHBondContact OG1-N 3.34Å; T14-E17 PolarHBondContact OG1-OE2 2.9Å; T14-Y18 PolarHBondContact O-N 3.4Å
15	C	64.3	Low	62.3	Low	113 Å²	113	119.5 Å²	119.5	76%	0.764	60%	0.598	S	S	*	*	H	α-helix	trans	-54.3	-34.6	178.1	-70.2	0	0	0	0	112.8	T19	C15-T19 WeakPolarHBondContact O-CB 3.42Å; C15-T19 WeakPolarHBondContact O-CG2 3.27Å; C15-T19 PolarHBondContact O-N 3.32Å; C15-T19 VanDerWaalsContact O-N 3.13Å; C15-T19 PolarHBondContact O-OG1 3.44Å
16	A	70.4	Confident	62.4	Low	61 Å²	61	120.3 Å²	120.3	50%	0.504	60%	0.599	S	S	.	*	H	α-helix	trans	-70	-41.8	176.2	0	0	0	0	0	112.7	T14 T19 H20	T14-A16 PolarHBondContact O-N 2.67Å; T14-A16 VanDerWaalsContact O-N 3.11Å; A16-T19 VanDerWaalsContact CA-OG1 3.26Å; A16-T19 WeakPolarHBondContact CA-OG1 3.28Å; A16-T19 PolarHBondContact O-N 2.77Å; A16-T19 PolarHBondContact O-OG1 2.85Å; A16-H20 PolarHBondContact O-N 2.68Å; A16-H20 PolarHBondContact O-ND1 3.34Å
17	E	73.6	Confident	62.5	Low	57 Å²	57	117.3 Å²	117.3	27%	0.266	59%	0.594	S	S	.	*	H	α-helix	trans	-69.1	-36.7	176.9	-71.4	159.2	165.3	0	0	111.8	I13 T14 T19 F21 Y22	I13-E17 HydrophobicContact CG2-CB 3.7Å; T14-E17 WeakPolarHBondContact CB-OE2 3.41Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.33Å; T14-E17 PolarHBondContact N-OE2 2.66Å; T14-E17 PolarHBondContact O-N 3.47Å; T14-E17 WeakPolarHBondContact OG1-CB 2.88Å; T14-E17 WeakPolarHBondContact OG1-CG 3.28Å; T14-E17 PolarHBondContact OG1-N 3.34Å; T14-E17 PolarHBondContact OG1-OE2 2.9Å; E17-T19 VanDerWaalsContact C-N 3.35Å; E17-F21 PolarHBondContact O-N 3.36Å; E17-Y22 HydrophobicContact CB-CD2 4.11Å; E17-Y22 HydrophobicContact CB-CE2 4.2Å; E17-Y22 PolarHBondContact O-N 3.42Å
18	Y	67.9	Low	62.5	Low	116 Å²	116	116.5 Å²	116.5	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-67.5	-34.1	175.7	-175.5	-98.1	0	0	0	112.7	T14 G24 K25	T14-Y18 PolarHBondContact O-N 3.4Å; Y18-G24 PolarHBondContact O-N 3.43Å; Y18-G24 VanDerWaalsContact OH-C 3.31Å; Y18-G24 PolarHBondContact OH-O 3.11Å; Y18-K25 HydrophobicContact CD1-CB 4.09Å; Y18-K25 HydrophobicContact CE1-CB 4.03Å; Y18-K25 PolarHBondContact O-N 3.09Å
19	T	65.4	Low	62.4	Low	50 Å²	50	113.2 Å²	113.2	31%	0.307	59%	0.587	S	S	.	*	H	α-helix	trans	-79.4	-39.4	179.5	35.2	0	0	0	0	113.7	C15 A16 E17 K25	C15-T19 WeakPolarHBondContact O-CB 3.42Å; C15-T19 WeakPolarHBondContact O-CG2 3.27Å; C15-T19 PolarHBondContact O-N 3.32Å; C15-T19 VanDerWaalsContact O-N 3.13Å; C15-T19 PolarHBondContact O-OG1 3.44Å; A16-T19 VanDerWaalsContact CA-OG1 3.26Å; A16-T19 WeakPolarHBondContact CA-OG1 3.28Å; A16-T19 PolarHBondContact O-N 2.77Å; A16-T19 PolarHBondContact O-OG1 2.85Å; E17-T19 VanDerWaalsContact C-N 3.35Å; T19-K25 HydrophobicContact CG2-CB 3.89Å; T19-K25 HydrophobicContact CG2-CD 3.26Å; T19-K25 HydrophobicContact CG2-CG 4.1Å
20	H	61	Low	62.1	Low	150 Å²	150	110.1 Å²	110.1	69%	0.694	58%	0.575	S	S	*	*	H	α-helix	trans	-112.5	-28.8	-167.2	-63.5	75.6	0	0	0	115	A16	A16-H20 PolarHBondContact O-N 2.68Å; A16-H20 PolarHBondContact O-ND1 3.34Å
21	F	56.9	Low	61.6	Low	168 Å²	168	115.6 Å²	115.6	74%	0.737	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-43.9	-168.3	-76.9	-82.3	0	0	0	113.9	E17	E17-F21 PolarHBondContact O-N 3.36Å
22	Y	64	Low	61.2	Low	171 Å²	171	108.7 Å²	108.7	67%	0.671	57%	0.572	S	S	*	*	S	Bend	trans	-104.9	9.1	-173.4	-60.4	-75.4	0	0	0	114.1	I13 E17 G24	I13-Y22 HydrophobicContact CG2-CD2 4.32Å; E17-Y22 HydrophobicContact CB-CD2 4.11Å; E17-Y22 HydrophobicContact CB-CE2 4.2Å; E17-Y22 PolarHBondContact O-N 3.42Å; Y22-G24 PolarHBondContact O-N 2.93Å
23	G	55.4	Low	61	Low	69 Å²	69	108.7 Å²	108.7	71%	0.711	58%	0.582	S	S	*	*			trans	68.1	23.3	163.1	0	0	0	0	0	116.6
24	G	58.6	Low	61.2	Low	28 Å²	28	109.1 Å²	109.1	29%	0.289	58%	0.581	S	S	.	*			trans	-87.8	-25.6	-178.3	0	0	0	0	0	114.9	Y18 Y22 K26	Y18-G24 PolarHBondContact O-N 3.43Å; Y18-G24 VanDerWaalsContact OH-C 3.31Å; Y18-G24 PolarHBondContact OH-O 3.11Å; Y22-G24 PolarHBondContact O-N 2.93Å; G24-K26 PolarHBondContact O-N 3.42Å
25	K	55.9	Low	61.3	Low	101 Å²	101	115.8 Å²	115.8	44%	0.439	60%	0.6	S	S	.	*	S	Bend	trans	-79.4	112.4	176.1	-169.2	-178	174.9	-170.3	0	109.8	Y18 T19 D28	Y18-K25 HydrophobicContact CD1-CB 4.09Å; Y18-K25 HydrophobicContact CE1-CB 4.03Å; Y18-K25 PolarHBondContact O-N 3.09Å; T19-K25 HydrophobicContact CG2-CB 3.89Å; T19-K25 HydrophobicContact CG2-CD 3.26Å; T19-K25 HydrophobicContact CG2-CG 4.1Å; K25-D28 WeakPolarHBondContact CE-OD2 3.41Å; K25-D28 IonicContact NZ-OD2 3.09Å; K25-D28 PolarHBondContact NZ-OD2 3.33Å; K25-D28 VanDerWaalsContact NZ-OD2 3.09Å
26	K	56	Low	62.3	Low	183 Å²	183	113 Å²	113	80%	0.796	57%	0.574	S	S	*	*			trans	-58.3	128	164.2	-68.2	-177.4	179.6	178.5	0	107.7	G24 D28	G24-K26 PolarHBondContact O-N 3.42Å; K26-D28 PolarHBondContact O-N 2.93Å; K26-D28 VanDerWaalsContact O-N 3.14Å
27	P	52.7	Low	63.1	Low	109 Å²	109	110.7 Å²	110.7	71%	0.708	55%	0.553	S	S	*	*			trans	-56.8	126	175.1	23.8	-31.5	0	0	0	107.6	L29	P27-L29 PolarHBondContact O-N 2.96Å
28	D	54.4	Low	63.9	Low	123 Å²	123	109.9 Å²	109.9	66%	0.658	55%	0.553	S	S	*	*			trans	-57	115.7	161.8	-67.8	-53.3	0	0	0	104.8	K25 K26 P30	K25-D28 WeakPolarHBondContact CE-OD2 3.41Å; K25-D28 IonicContact NZ-OD2 3.09Å; K25-D28 PolarHBondContact NZ-OD2 3.33Å; K25-D28 VanDerWaalsContact NZ-OD2 3.09Å; K26-D28 PolarHBondContact O-N 2.93Å; K26-D28 VanDerWaalsContact O-N 3.14Å; D28-P30 VanDerWaalsContact O-CD 3.3Å; D28-P30 WeakPolarHBondContact O-CD 3.16Å
29	L	50.7	Low	64.9	Low	141 Å²	141	106 Å²	106	74%	0.738	54%	0.539	S	S	*	.			trans	-49.5	115.5	179.5	-84.8	141.6	0	0	0	106.8	P27 Q31	P27-L29 PolarHBondContact O-N 2.96Å; L29-Q31 PolarHBondContact O-N 3.39Å; L29-Q31 VanDerWaalsContact O-N 3.15Å
30	P	50.9	Low	66.1	Low	97 Å²	97	105.9 Å²	105.9	63%	0.63	54%	0.536	S	S	*	.			trans	-56.6	129.5	173	23.2	-30.6	0	0	0	105.9	D28 T32	D28-P30 VanDerWaalsContact O-CD 3.3Å; D28-P30 WeakPolarHBondContact O-CD 3.16Å; P30-T32 VanDerWaalsContact C-N 3.3Å; P30-T32 WeakPolarHBondContact O-CA 3.34Å; P30-T32 WeakPolarHBondContact O-CG2 3Å; P30-T32 PolarHBondContact O-N 3.49Å
31	Q	56.6	Low	67.5	Low	188 Å²	188	100.7 Å²	100.7	88%	0.879	51%	0.512	S	S	*	.			trans	-50.6	105	170.9	-79.5	-70.7	-11.1	0	0	106.8	L29	L29-Q31 PolarHBondContact O-N 3.39Å; L29-Q31 VanDerWaalsContact O-N 3.15Å
32	T	57	Low	69.2	Low	64 Å²	64	92.7 Å²	92.7	39%	0.393	48%	0.477	S	S	.	.			trans	-68.7	147.8	-158.6	50.4	0	0	0	0	110.4	P30 F34 S170	P30-T32 VanDerWaalsContact C-N 3.3Å; P30-T32 WeakPolarHBondContact O-CA 3.34Å; P30-T32 WeakPolarHBondContact O-CG2 3Å; P30-T32 PolarHBondContact O-N 3.49Å; T32-F34 PolarHBondContact O-N 3.47Å; T32-S170 WeakPolarHBondContact OG1-CB 3.49Å; T32-S170 PolarHBondContact OG1-OG 3.17Å
33	N	63.8	Low	70.4	Confident	152 Å²	152	84.6 Å²	84.6	81%	0.813	45%	0.445	S	S	*	.			trans	-41.1	122.9	162.6	-61.8	-34.8	0	0	0	110.3	R35	N33-R35 PolarHBondContact O-N 2.87Å; N33-R35 VanDerWaalsContact O-N 3.12Å
34	F	73.3	Confident	72	Confident	106 Å²	106	82.4 Å²	82.4	47%	0.465	42%	0.417	S	S	.	.			trans	-50	119.2	175.6	172.3	-95.6	0	0	0	109.8	T32 R36 L164 N168	T32-F34 PolarHBondContact O-N 3.47Å; F34-R36 HydrophobicContact CE1-CB 3.87Å; F34-R36 HydrophobicContact CZ-CB 4.01Å; F34-L164 HydrophobicContact CE2-CB 4.23Å; F34-L164 WeakPolarHBondContact CE2-O 3.48Å; F34-L164 HydrophobicContact CZ-CB 3.97Å; F34-N168 HydrophobicContact CD2-CB 4.31Å; F34-N168 HydrophobicContact CE2-CB 4.11Å
35	R	79.4	Confident	73.4	Confident	184 Å²	184	82.8 Å²	82.8	69%	0.694	42%	0.415	S	S	*	.			trans	-125.3	104.8	178.6	-171.9	174.5	179.3	178.7	-1.3	109	N33 V169	N33-R35 PolarHBondContact O-N 2.87Å; N33-R35 VanDerWaalsContact O-N 3.12Å; R35-V169 WeakPolarHBondContact O-CG2 3.11Å; R35-V169 PolarHBondContact O-N 2.88Å
36	R	84.4	Confident	75	Confident	54 Å²	54	81.3 Å²	81.3	20%	0.204	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-78.3	131.6	177.8	-170.8	176.2	-176.4	-168.5	1.2	110.4	F34 N112 N113	F34-R36 HydrophobicContact CE1-CB 3.87Å; F34-R36 HydrophobicContact CZ-CB 4.01Å; R36-N112 PolarHBondContact NH1-O 2.94Å; R36-N112 PolarHBondContact NH2-O 3.15Å; R36-N112 VanDerWaalsContact NH2-O 3.1Å; R36-N113 PolarHBondContact NH1-OD1 3.36Å
37	L	88.1	Confident	76.6	Confident	13 Å²	13	78.5 Å²	78.5	7%	0.068	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-72.4	129.4	169.8	-168.3	69.3	0	0	0	109.8	H41 L46 F167 V169 F172	L37-H41 HydrophobicContact CD1-CB 3.72Å; L37-H41 HydrophobicContact CD2-CB 4.37Å; L37-H41 HydrophobicContact CG-CB 3.91Å; L37-L46 HydrophobicContact CD1-CB 4.47Å; L37-L46 HydrophobicContact CD1-CD2 3.88Å; L37-F167 HydrophobicContact CB-CB 4.49Å; L37-F167 PolarHBondContact N-O 3.33Å; L37-V169 HydrophobicContact CB-CG2 4.03Å; L37-V169 HydrophobicContact CD1-CG2 4.22Å; L37-F172 HydrophobicContact CD2-CE2 4.27Å; L37-F172 HydrophobicContact CD2-CZ 4.3Å
38	P	90.1	Very high	78.5	Confident	40 Å²	40	77.3 Å²	77.3	26%	0.26	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-61.6	154.3	171	-22.4	34.7	0	0	0	111.9	D40 H41	P38-D40 WeakPolarHBondContact CB-OD1 3.46Å; P38-D40 PolarHBondContact O-N 2.76Å; P38-H41 PolarHBondContact O-N 3.19Å
39	F	89.3	Confident	80.3	Confident	36 Å²	36	71.8 Å²	71.8	16%	0.158	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.4	-173.3	78.3	-91.1	0	0	0	114.2	H41 F49 Y101 F110 N112 I116	F39-H41 VanDerWaalsContact C-N 3.34Å; F39-F49 VanDerWaalsContact O-CE1 3.29Å; F39-F49 WeakPolarHBondContact O-CE1 3.28Å; F39-Y101 HydrophobicContact CE2-CD2 4.04Å; F39-Y101 HydrophobicContact CE2-CG 4.49Å; F39-Y101 HydrophobicContact CZ-CD2 4.4Å; F39-F110 HydrophobicContact CE1-CB 4.29Å; F39-F110 HydrophobicContact CE2-CB 3.77Å; F39-F110 HydrophobicContact CZ-CB 3.61Å; F39-N112 WeakPolarHBondContact CD1-OD1 3.32Å; F39-I116 HydrophobicContact CB-CD1 4.32Å; F39-I116 HydrophobicContact CD2-CD1 3.75Å; F39-I116 HydrophobicContact CE2-CD1 4.27Å; F39-I116 HydrophobicContact CG-CD1 4.02Å
40	D	90.2	Very high	82.2	Confident	47 Å²	47	69.7 Å²	69.7	25%	0.251	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5	-178.9	62	-28	0	0	0	113	P38 P48 F49 Y101	P38-D40 WeakPolarHBondContact CB-OD1 3.46Å; P38-D40 PolarHBondContact O-N 2.76Å; D40-P48 VanDerWaalsContact O-CA 3.27Å; D40-P48 WeakPolarHBondContact O-CA 3.28Å; D40-F49 VanDerWaalsContact C-CD1 3.41Å; D40-F49 VanDerWaalsContact CA-CE1 3.44Å; D40-F49 WeakPolarHBondContact O-CD1 3.47Å; D40-F49 WeakPolarHBondContact O-CE1 3.5Å; D40-F49 PolarHBondContact O-N 3.48Å; D40-Y101 HydrophobicContact CB-CD2 4.4Å; D40-Y101 HydrophobicContact CB-CE2 4.15Å
41	H	90.9	Very high	84.2	Confident	40 Å²	40	71.6 Å²	71.6	19%	0.185	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-109.1	148.4	-177.1	-69.8	57.6	0	0	0	112.9	L37 P38 F39 L46 Q47	L37-H41 HydrophobicContact CD1-CB 3.72Å; L37-H41 HydrophobicContact CD2-CB 4.37Å; L37-H41 HydrophobicContact CG-CB 3.91Å; P38-H41 PolarHBondContact O-N 3.19Å; F39-H41 VanDerWaalsContact C-N 3.34Å; H41-L46 PolarHBondContact CD2-O 2.95Å; H41-Q47 CarbonylContact C-O 3.58Å; H41-Q47 VanDerWaalsContact CA-O 3.31Å; H41-Q47 WeakPolarHBondContact CA-O 3.08Å
42	C	91.2	Very high	86	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.314	C	S	.	.			trans	-75.5	132.7	174.4	172.1	0	0	0	0	111	L44 S45 L46 Q47 F49 D62	C42-L44 PolarHBondContact O-N 3.32Å; C42-L44 PolarHBondContact SG-N 2.93Å; C42-L44 VanDerWaalsContact SG-N 3.44Å; C42-S45 VanDerWaalsContact CB-OG 3.29Å; C42-S45 WeakPolarHBondContact CB-OG 3.34Å; C42-S45 PolarHBondContact SG-OG 3.34Å; C42-L46 VanDerWaalsContact O-CA 3.25Å; C42-L46 WeakPolarHBondContact O-CA 3.49Å; C42-L46 PolarHBondContact O-N 3.4Å; C42-Q47 PolarHBondContact N-O 2.99Å; C42-F49 HydrophobicContact CB-CB 4.49Å; C42-D62 HydrophobicContact CB-CB 3.97Å; C42-D62 PolarHBondContact SG-N 2.71Å
43	S	89.2	Confident	87.7	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.007	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.7	-178.7	-53.3	0	0	0	0	114.4	V59 V60 H174	S43-V59 WeakPolarHBondContact OG-CG1 3.33Å; S43-V60 VanDerWaalsContact CB-O 3.31Å; S43-V60 WeakPolarHBondContact CB-O 3.48Å; S43-V60 PolarHBondContact N-O 2.85Å; S43-V60 PolarHBondContact OG-O 3.16Å; S43-H174 PolarHBondContact O-CE1 3.39Å
44	L	89.5	Confident	89.1	Confident	23 Å²	23	53.3 Å²	53.3	12%	0.12	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-51.1	177.2	174.7	62.7	0	0	0	112.5	C42 F61 N65 W69 P77	C42-L44 PolarHBondContact O-N 3.32Å; C42-L44 PolarHBondContact SG-N 2.93Å; C42-L44 VanDerWaalsContact SG-N 3.44Å; L44-F61 HydrophobicContact CB-CD1 3.78Å; L44-F61 HydrophobicContact CB-CE1 4.03Å; L44-N65 HydrophobicContact CD2-CB 4.12Å; L44-N65 WeakPolarHBondContact CD2-O 3.46Å; L44-W69 HydrophobicContact CD1-CD2 4.04Å; L44-W69 HydrophobicContact CD1-CE3 3.42Å; L44-W69 VanDerWaalsContact CD1-CE3 3.42Å; L44-W69 HydrophobicContact CD1-CH2 4.49Å; L44-W69 HydrophobicContact CD1-CZ3 3.71Å; L44-W69 HydrophobicContact CD2-CB 3.85Å; L44-W69 HydrophobicContact CD2-CD2 4.28Å; L44-W69 HydrophobicContact CD2-CE3 4.06Å; L44-W69 HydrophobicContact CD2-CG 4.19Å; L44-W69 HydrophobicContact CG-CE3 4.39Å; L44-P77 HydrophobicContact CB-CB 4.45Å; L44-P77 HydrophobicContact CB-CG 4.35Å; L44-P77 HydrophobicContact CD1-CB 3.88Å; L44-P77 HydrophobicContact CD1-CG 4.02Å; L44-P77 HydrophobicContact CD2-CG 4.29Å; L44-P77 HydrophobicContact CG-CG 4.45Å
45	S	87.6	Confident	90	Very high	36 Å²	36	48.2 Å²	48.2	25%	0.252	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-15	-178.7	59.8	0	0	0	0	113.4	C42 Q47	C42-S45 VanDerWaalsContact CB-OG 3.29Å; C42-S45 WeakPolarHBondContact CB-OG 3.34Å; C42-S45 PolarHBondContact SG-OG 3.34Å; S45-Q47 PolarHBondContact O-N 3.22Å
46	L	89.8	Confident	90.5	Very high	70 Å²	70	41.8 Å²	41.8	37%	0.366	22%	0.219	S	C	.	.			trans	56.9	24.3	-174.1	-47.5	177.1	0	0	0	113.1	L37 H41 C42 V169 F172	L37-L46 HydrophobicContact CD1-CB 4.47Å; L37-L46 HydrophobicContact CD1-CD2 3.88Å; H41-L46 PolarHBondContact CD2-O 2.95Å; C42-L46 VanDerWaalsContact O-CA 3.25Å; C42-L46 WeakPolarHBondContact O-CA 3.49Å; C42-L46 PolarHBondContact O-N 3.4Å; L46-V169 HydrophobicContact CD1-CG1 3.84Å; L46-V169 HydrophobicContact CD2-CG1 3.98Å; L46-V169 HydrophobicContact CD2-CG2 4.27Å; L46-F172 HydrophobicContact CD2-CD2 4.35Å; L46-F172 HydrophobicContact CD2-CE2 4.11Å
47	Q	90.3	Very high	90.7	Very high	125 Å²	125	43.2 Å²	43.2	58%	0.584	23%	0.23	S	C	*	.	S	Bend	trans	-116	158.8	178.2	-70.9	177.2	-13.3	0	0	110.4	H41 C42 S45 F49	H41-Q47 CarbonylContact C-O 3.58Å; H41-Q47 VanDerWaalsContact CA-O 3.31Å; H41-Q47 WeakPolarHBondContact CA-O 3.08Å; C42-Q47 PolarHBondContact N-O 2.99Å; S45-Q47 PolarHBondContact O-N 3.22Å; Q47-F49 PolarHBondContact O-N 3.03Å
48	P	91.3	Very high	90.6	Very high	83 Å²	83	42.6 Å²	42.6	54%	0.539	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-53.4	131.6	173.3	-25.5	34.1	0	0	0	111.8	D40	D40-P48 VanDerWaalsContact O-CA 3.27Å; D40-P48 WeakPolarHBondContact O-CA 3.28Å
49	F	92.6	Very high	90.7	Very high	7 Å²	7	41 Å²	41	3%	0.031	22%	0.217	C	C	.	.			trans	-79.2	151.9	-179.8	55.9	-114.1	0	0	0	112.1	F39 D40 C42 Q47 P52 V60 D62 F93 Y101	F39-F49 VanDerWaalsContact O-CE1 3.29Å; F39-F49 WeakPolarHBondContact O-CE1 3.28Å; D40-F49 VanDerWaalsContact C-CD1 3.41Å; D40-F49 VanDerWaalsContact CA-CE1 3.44Å; D40-F49 WeakPolarHBondContact O-CD1 3.47Å; D40-F49 WeakPolarHBondContact O-CE1 3.5Å; D40-F49 PolarHBondContact O-N 3.48Å; C42-F49 HydrophobicContact CB-CB 4.49Å; Q47-F49 PolarHBondContact O-N 3.03Å; F49-P52 HydrophobicContact CD1-CB 4.29Å; F49-P52 HydrophobicContact CD2-CB 3.49Å; F49-P52 VanDerWaalsContact CD2-CB 3.49Å; F49-P52 HydrophobicContact CD2-CG 3.63Å; F49-P52 HydrophobicContact CE1-CB 4.38Å; F49-P52 HydrophobicContact CE2-CB 3.63Å; F49-P52 HydrophobicContact CE2-CG 3.62Å; F49-P52 HydrophobicContact CG-CB 3.86Å; F49-P52 HydrophobicContact CG-CG 4.48Å; F49-P52 HydrophobicContact CZ-CB 4.09Å; F49-P52 HydrophobicContact CZ-CG 4.42Å; F49-V60 HydrophobicContact CD1-CG1 3.79Å; F49-V60 HydrophobicContact CE1-CG1 3.78Å; F49-D62 HydrophobicContact CB-CB 4.13Å; F49-F93 HydrophobicContact CE2-CD2 4.05Å; F49-F93 AromaticContact CE2-CE2 3.97Å; F49-F93 HydrophobicContact CE2-CE2 3.97Å; F49-F93 HydrophobicContact CZ-CD2 4.12Å; F49-F93 HydrophobicContact CZ-CE1 4.49Å; F49-F93 AromaticContact CZ-CE2 3.62Å; F49-F93 HydrophobicContact CZ-CE2 3.62Å; F49-F93 AromaticContact CZ-CZ 3.83Å; F49-F93 HydrophobicContact CZ-CZ 3.83Å; F49-Y101 HydrophobicContact CE2-CE2 4.33Å
50	V	91.1	Very high	90.8	Very high	97 Å²	97	39.7 Å²	39.7	59%	0.588	21%	0.212	S	C	*	.	S	Bend	trans	-109.3	-44.4	173.2	-177.5	0	0	0	0	110.4	P52 D62	V50-P52 VanDerWaalsContact O-CD 3.32Å; V50-P52 WeakPolarHBondContact O-CD 3.49Å; V50-D62 PolarHBondContact N-OD1 3.33Å
51	Y	92.1	Very high	91	Very high	137 Å²	137	37.5 Å²	37.5	54%	0.537	20%	0.2	S	C	.	.	S	Bend	trans	-119.1	79.1	178.7	-60.1	-70.1	0	0	0	109.7	V53 D62 L63 L64	Y51-V53 PolarHBondContact O-N 3.23Å; Y51-D62 PolarHBondContact N-OD1 3.48Å; Y51-L63 PolarHBondContact O-N 3Å; Y51-L64 HydrophobicContact CD2-CD1 4.29Å; Y51-L64 HydrophobicContact CD2-CG 4.41Å; Y51-L64 HydrophobicContact CE2-CD1 4.48Å
52	P	94.1	Very high	91.1	Very high	13 Å²	13	36.1 Å²	36.1	8%	0.084	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.7	-173.7	26	-31.5	0	0	0	111.5	F49 V50 V60 F61 L91 F93	F49-P52 HydrophobicContact CD1-CB 4.29Å; F49-P52 HydrophobicContact CD2-CB 3.49Å; F49-P52 VanDerWaalsContact CD2-CB 3.49Å; F49-P52 HydrophobicContact CD2-CG 3.63Å; F49-P52 HydrophobicContact CE1-CB 4.38Å; F49-P52 HydrophobicContact CE2-CB 3.63Å; F49-P52 HydrophobicContact CE2-CG 3.62Å; F49-P52 HydrophobicContact CG-CB 3.86Å; F49-P52 HydrophobicContact CG-CG 4.48Å; F49-P52 HydrophobicContact CZ-CB 4.09Å; F49-P52 HydrophobicContact CZ-CG 4.42Å; V50-P52 VanDerWaalsContact O-CD 3.32Å; V50-P52 WeakPolarHBondContact O-CD 3.49Å; P52-V60 HydrophobicContact CB-CG1 4.14Å; P52-F61 WeakPolarHBondContact CA-O 3.05Å; P52-L91 HydrophobicContact CB-CB 4.07Å; P52-L91 HydrophobicContact CB-CD1 4.38Å; P52-L91 HydrophobicContact CG-CB 4.12Å; P52-L91 PolarHBondContact O-N 3.22Å; P52-F93 HydrophobicContact CB-CD2 4.27Å; P52-F93 HydrophobicContact CB-CE2 4Å; P52-F93 HydrophobicContact CG-CD2 3.69Å; P52-F93 HydrophobicContact CG-CE2 3.95Å
53	V	94	Very high	91.1	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.3	170.1	-62.4	0	0	0	0	108.6	Y51 V60 F61 L63 I66 I89	Y51-V53 PolarHBondContact O-N 3.23Å; V53-V60 WeakPolarHBondContact O-CA 3.45Å; V53-F61 HydrophobicContact CG2-CB 4.19Å; V53-F61 WeakPolarHBondContact CG2-O 3.31Å; V53-F61 PolarHBondContact N-O 3.03Å; V53-F61 PolarHBondContact O-N 3.5Å; V53-F61 VanDerWaalsContact O-O 3.04Å; V53-L63 HydrophobicContact CG1-CB 4.12Å; V53-L63 HydrophobicContact CG1-CD1 4.05Å; V53-I66 HydrophobicContact CG2-CG2 3.88Å; V53-I89 CarbonylContact C-O 3.57Å; V53-I89 WeakPolarHBondContact CA-O 3.42Å
54	C	92.9	Very high	91.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.6	175.3	67.3	0	0	0	0	112.9	V59 I89 L91 L158	C54-V59 VanDerWaalsContact CA-O 3.26Å; C54-V59 WeakPolarHBondContact CA-O 3.49Å; C54-I89 PolarHBondContact N-O 2.98Å; C54-I89 PolarHBondContact O-N 2.98Å; C54-L91 HydrophobicContact CB-CD1 3.86Å; C54-L91 HydrophobicContact CB-CD2 4.36Å; C54-L91 HydrophobicContact CB-CG 4.14Å; C54-L91 VanDerWaalsContact SG-CD2 3.59Å; C54-L158 HydrophobicContact CB-CD2 3.9Å
55	T	92.3	Very high	91.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.			trans	-77.2	163	164.5	60.4	0	0	0	0	110.5	D57 G58 V59 F61 L83 L88	T55-D57 PolarHBondContact O-N 2.98Å; T55-D57 VanDerWaalsContact O-N 3.1Å; T55-G58 PolarHBondContact O-N 3.39Å; T55-V59 PolarHBondContact N-O 3.16Å; T55-V59 VanDerWaalsContact N-O 3.07Å; T55-V59 PolarHBondContact OG1-N 3.49Å; T55-F61 HydrophobicContact CG2-CD2 4.13Å; T55-F61 HydrophobicContact CG2-CE2 3.75Å; T55-L83 HydrophobicContact CG2-CD1 4.1Å; T55-L83 HydrophobicContact CG2-CD2 3.62Å; T55-L88 HydrophobicContact CG2-CD2 4.17Å
56	P	89.9	Confident	91.2	Very high	48 Å²	48	44.9 Å²	44.9	31%	0.312	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.7	172.1	-27.3	36.5	0	0	0	113.7	G58	P56-G58 PolarHBondContact O-N 3.43Å
57	D	87.4	Confident	91.2	Very high	84 Å²	84	44.1 Å²	44.1	45%	0.449	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.8	176.4	-49.5	-49.3	0	0	0	113.6	T55 K166	T55-D57 PolarHBondContact O-N 2.98Å; T55-D57 VanDerWaalsContact O-N 3.1Å; D57-K166 VanDerWaalsContact O-CE 3.24Å; D57-K166 WeakPolarHBondContact O-CE 3.43Å; D57-K166 PolarHBondContact O-NZ 2.92Å
58	G	87.4	Confident	91.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.			trans	80.1	27.2	178.8	0	0	0	0	0	114.9	T55 P56 I156	T55-G58 PolarHBondContact O-N 3.39Å; P56-G58 PolarHBondContact O-N 3.43Å; G58-I156 VanDerWaalsContact CA-CG2 3.41Å
59	V	91.1	Very high	91	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	20%	0.199	C	C	.	.			trans	-91.1	127.6	170.6	-177.2	0	0	0	0	109.1	S43 C54 T55 F61	S43-V59 WeakPolarHBondContact OG-CG1 3.33Å; C54-V59 VanDerWaalsContact CA-O 3.26Å; C54-V59 WeakPolarHBondContact CA-O 3.49Å; T55-V59 PolarHBondContact N-O 3.16Å; T55-V59 VanDerWaalsContact N-O 3.07Å; T55-V59 PolarHBondContact OG1-N 3.49Å; V59-F61 HydrophobicContact CB-CE2 3.99Å; V59-F61 HydrophobicContact CB-CZ 4.38Å; V59-F61 HydrophobicContact CG1-CD2 4.38Å; V59-F61 HydrophobicContact CG1-CE1 4.3Å; V59-F61 HydrophobicContact CG1-CE2 3.61Å; V59-F61 HydrophobicContact CG1-CZ 3.56Å
60	V	92.8	Very high	90.9	Very high	8 Å²	8	37.7 Å²	37.7	5%	0.048	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132	-175.4	-174.9	0	0	0	0	111.1	S43 F49 P52 V53 L91 L158	S43-V60 VanDerWaalsContact CB-O 3.31Å; S43-V60 WeakPolarHBondContact CB-O 3.48Å; S43-V60 PolarHBondContact N-O 2.85Å; S43-V60 PolarHBondContact OG-O 3.16Å; F49-V60 HydrophobicContact CD1-CG1 3.79Å; F49-V60 HydrophobicContact CE1-CG1 3.78Å; P52-V60 HydrophobicContact CB-CG1 4.14Å; V53-V60 WeakPolarHBondContact O-CA 3.45Å; V60-L91 HydrophobicContact CG1-CD1 4.28Å; V60-L91 HydrophobicContact CG2-CD1 4Å; V60-L158 HydrophobicContact CG2-CD2 4.05Å
61	F	93.3	Very high	90.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	164.5	174.3	-61.7	-76.2	0	0	0	110.4	L44 P52 V53 T55 V59 I66 N76 P77	L44-F61 HydrophobicContact CB-CD1 3.78Å; L44-F61 HydrophobicContact CB-CE1 4.03Å; P52-F61 WeakPolarHBondContact CA-O 3.05Å; V53-F61 HydrophobicContact CG2-CB 4.19Å; V53-F61 WeakPolarHBondContact CG2-O 3.31Å; V53-F61 PolarHBondContact N-O 3.03Å; V53-F61 PolarHBondContact O-N 3.5Å; V53-F61 VanDerWaalsContact O-O 3.04Å; T55-F61 HydrophobicContact CG2-CD2 4.13Å; T55-F61 HydrophobicContact CG2-CE2 3.75Å; V59-F61 HydrophobicContact CB-CE2 3.99Å; V59-F61 HydrophobicContact CB-CZ 4.38Å; V59-F61 HydrophobicContact CG1-CD2 4.38Å; V59-F61 HydrophobicContact CG1-CE1 4.3Å; V59-F61 HydrophobicContact CG1-CE2 3.61Å; V59-F61 HydrophobicContact CG1-CZ 3.56Å; F61-I66 HydrophobicContact CB-CB 3.94Å; F61-I66 HydrophobicContact CB-CD1 4.41Å; F61-I66 HydrophobicContact CB-CG1 4.19Å; F61-I66 HydrophobicContact CB-CG2 4.35Å; F61-I66 HydrophobicContact CD1-CD1 4.08Å; F61-I66 HydrophobicContact CD2-CD1 4.17Å; F61-I66 HydrophobicContact CD2-CG1 4.42Å; F61-I66 HydrophobicContact CE1-CD1 4.38Å; F61-I66 HydrophobicContact CE2-CD1 4.46Å; F61-I66 HydrophobicContact CG-CB 4.42Å; F61-I66 HydrophobicContact CG-CD1 3.96Å; F61-I66 HydrophobicContact CG-CG1 4.22Å; F61-N76 WeakPolarHBondContact CZ-OD1 3.36Å; F61-P77 HydrophobicContact CD1-CG 4.43Å; F61-P77 HydrophobicContact CE1-CB 3.91Å; F61-P77 HydrophobicContact CE1-CG 3.71Å; F61-P77 HydrophobicContact CZ-CB 4.24Å; F61-P77 HydrophobicContact CZ-CG 4.01Å
62	D	93.1	Very high	90.5	Very high	11 Å²	11	39.8 Å²	39.8	6%	0.059	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.9	170.6	-177.5	43.3	0	0	0	109.7	C42 F49 V50 Y51 L64 N65 I66	C42-D62 HydrophobicContact CB-CB 3.97Å; C42-D62 PolarHBondContact SG-N 2.71Å; F49-D62 HydrophobicContact CB-CB 4.13Å; V50-D62 PolarHBondContact N-OD1 3.33Å; Y51-D62 PolarHBondContact N-OD1 3.48Å; D62-L64 VanDerWaalsContact C-N 3.26Å; D62-L64 PolarHBondContact O-N 2.97Å; D62-N65 PolarHBondContact O-N 3.46Å; D62-N65 PolarHBondContact OD2-ND2 2.85Å; D62-N65 VanDerWaalsContact OD2-ND2 3.1Å; D62-I66 WeakPolarHBondContact O-CG2 3.29Å; D62-I66 PolarHBondContact O-N 3.09Å
63	L	90.4	Very high	90.1	Very high	78 Å²	78	43 Å²	43	41%	0.408	22%	0.218	S	C	.	.	H	α-helix	trans	-55.6	-41.3	-173.3	-177.5	67.1	0	0	0	112.4	Y51 V53 N65 V67	Y51-L63 PolarHBondContact O-N 3Å; V53-L63 HydrophobicContact CG1-CB 4.12Å; V53-L63 HydrophobicContact CG1-CD1 4.05Å; L63-N65 PolarHBondContact O-N 2.74Å; L63-V67 HydrophobicContact CD1-CG2 3.81Å; L63-V67 HydrophobicContact CG-CG2 4.42Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 2.95Å
64	L	89.7	Confident	89.7	Confident	112 Å²	112	44.1 Å²	44.1	59%	0.586	23%	0.232	S	C	*	.	H	α-helix	trans	-64	-30.5	-178.6	-66.9	175.2	0	0	0	112.7	Y51 D62 P68	Y51-L64 HydrophobicContact CD2-CD1 4.29Å; Y51-L64 HydrophobicContact CD2-CG 4.41Å; Y51-L64 HydrophobicContact CE2-CD1 4.48Å; D62-L64 VanDerWaalsContact C-N 3.26Å; D62-L64 PolarHBondContact O-N 2.97Å; L64-P68 WeakPolarHBondContact O-CD 3.4Å; L64-P68 WeakPolarHBondContact O-CG 3.43Å
65	N	89.1	Confident	89.5	Confident	55 Å²	55	45.5 Å²	45.5	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-93.8	-38.5	-175.2	-69.7	-56.4	0	0	0	112.3	L44 D62 L63 P68 W69	L44-N65 HydrophobicContact CD2-CB 4.12Å; L44-N65 WeakPolarHBondContact CD2-O 3.46Å; D62-N65 PolarHBondContact O-N 3.46Å; D62-N65 PolarHBondContact OD2-ND2 2.85Å; D62-N65 VanDerWaalsContact OD2-ND2 3.1Å; L63-N65 PolarHBondContact O-N 2.74Å; N65-P68 WeakPolarHBondContact O-CD 3.21Å; N65-W69 PolarHBondContact O-N 3.38Å
66	I	89.5	Confident	89.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-74.5	-32.9	-177.2	-166.9	61.4	0	0	0	112.8	V53 F61 D62 W69 L70 P77 L88	V53-I66 HydrophobicContact CG2-CG2 3.88Å; F61-I66 HydrophobicContact CB-CB 3.94Å; F61-I66 HydrophobicContact CB-CD1 4.41Å; F61-I66 HydrophobicContact CB-CG1 4.19Å; F61-I66 HydrophobicContact CB-CG2 4.35Å; F61-I66 HydrophobicContact CD1-CD1 4.08Å; F61-I66 HydrophobicContact CD2-CD1 4.17Å; F61-I66 HydrophobicContact CD2-CG1 4.42Å; F61-I66 HydrophobicContact CE1-CD1 4.38Å; F61-I66 HydrophobicContact CE2-CD1 4.46Å; F61-I66 HydrophobicContact CG-CB 4.42Å; F61-I66 HydrophobicContact CG-CD1 3.96Å; F61-I66 HydrophobicContact CG-CG1 4.22Å; D62-I66 WeakPolarHBondContact O-CG2 3.29Å; D62-I66 PolarHBondContact O-N 3.09Å; I66-W69 HydrophobicContact CD1-CB 4.35Å; I66-W69 VanDerWaalsContact O-CB 3.32Å; I66-W69 WeakPolarHBondContact O-CB 3.13Å; I66-W69 PolarHBondContact O-N 2.91Å; I66-L70 HydrophobicContact CD1-CG 4.49Å; I66-L70 HydrophobicContact CG1-CD1 4.24Å; I66-L70 HydrophobicContact CG1-CG 4.28Å; I66-L70 WeakPolarHBondContact O-CG 3.34Å; I66-L70 PolarHBondContact O-N 2.79Å; I66-P77 HydrophobicContact CD1-CG 3.64Å; I66-L88 HydrophobicContact CG1-CD1 4.27Å; I66-L88 HydrophobicContact CG2-CD1 3.93Å
67	V	89.8	Confident	89.2	Confident	54 Å²	54	43.3 Å²	43.3	33%	0.327	23%	0.226	S	C	.	.	H	α-helix	trans	-64.9	-47.8	-179.9	170.4	0	0	0	0	111.9	L63 W69 L70 K71	L63-V67 HydrophobicContact CD1-CG2 3.81Å; L63-V67 HydrophobicContact CG-CG2 4.42Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 2.95Å; V67-W69 VanDerWaalsContact C-N 3.26Å; V67-W69 PolarHBondContact O-N 2.81Å; V67-L70 PolarHBondContact O-N 3Å; V67-K71 WeakPolarHBondContact O-CG 3.3Å; V67-K71 PolarHBondContact O-N 2.76Å; V67-K71 VanDerWaalsContact O-N 3.14Å
68	P	89.8	Confident	89.1	Confident	55 Å²	55	40.2 Å²	40.2	36%	0.357	21%	0.211	S	C	.	.	H	α-helix	trans	-57.5	-37.5	170.3	-26.8	35.9	0	0	0	113.2	L64 N65 K71 K72 I181	L64-P68 WeakPolarHBondContact O-CD 3.4Å; L64-P68 WeakPolarHBondContact O-CG 3.43Å; N65-P68 WeakPolarHBondContact O-CD 3.21Å; P68-K71 PolarHBondContact O-N 2.85Å; P68-K72 PolarHBondContact O-N 3.29Å; P68-I181 HydrophobicContact CB-CD1 4.08Å
69	W	88.6	Confident	89	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-50	177.7	-173.8	-87.2	0	0	0	112.1	L44 N65 I66 V67 K71 K72 Y73 T75 P77 H174 M179 I181	L44-W69 HydrophobicContact CD1-CD2 4.04Å; L44-W69 HydrophobicContact CD1-CE3 3.42Å; L44-W69 VanDerWaalsContact CD1-CE3 3.42Å; L44-W69 HydrophobicContact CD1-CH2 4.49Å; L44-W69 HydrophobicContact CD1-CZ3 3.71Å; L44-W69 HydrophobicContact CD2-CB 3.85Å; L44-W69 HydrophobicContact CD2-CD2 4.28Å; L44-W69 HydrophobicContact CD2-CE3 4.06Å; L44-W69 HydrophobicContact CD2-CG 4.19Å; L44-W69 HydrophobicContact CG-CE3 4.39Å; N65-W69 PolarHBondContact O-N 3.38Å; I66-W69 HydrophobicContact CD1-CB 4.35Å; I66-W69 VanDerWaalsContact O-CB 3.32Å; I66-W69 WeakPolarHBondContact O-CB 3.13Å; I66-W69 PolarHBondContact O-N 2.91Å; V67-W69 VanDerWaalsContact C-N 3.26Å; V67-W69 PolarHBondContact O-N 2.81Å; W69-K71 VanDerWaalsContact C-N 3.3Å; W69-K71 PolarHBondContact O-N 2.88Å; W69-K72 PolarHBondContact O-N 2.8Å; W69-K72 VanDerWaalsContact O-N 3.13Å; W69-Y73 AromaticContact CD2-CD2 3.83Å; W69-Y73 HydrophobicContact CD2-CD2 3.83Å; W69-Y73 HydrophobicContact CD2-CE2 4.49Å; W69-Y73 AromaticContact CE2-CD2 3.76Å; W69-Y73 AromaticContact CE3-CD2 3.99Å; W69-Y73 HydrophobicContact CE3-CD2 3.99Å; W69-Y73 HydrophobicContact CE3-CE2 4.2Å; W69-Y73 HydrophobicContact CG-CD2 4.44Å; W69-Y73 AromaticContact CH2-CD2 3.99Å; W69-Y73 HydrophobicContact CH2-CD2 3.99Å; W69-Y73 HydrophobicContact CH2-CE2 4.1Å; W69-Y73 AromaticContact CZ2-CD2 3.87Å; W69-Y73 HydrophobicContact CZ2-CD2 3.87Å; W69-Y73 HydrophobicContact CZ2-CE2 4.43Å; W69-Y73 HydrophobicContact CZ2-CG 4.3Å; W69-Y73 HydrophobicContact CZ3-CD2 4.06Å; W69-Y73 AromaticContact CZ3-CE2 3.98Å; W69-Y73 HydrophobicContact CZ3-CE2 3.98Å; W69-Y73 PolarHBondContact O-N 2.88Å; W69-T75 PolarHBondContact NE1-O 2.58Å; W69-P77 HydrophobicContact CD2-CB 4.49Å; W69-P77 HydrophobicContact CD2-CG 3.93Å; W69-P77 HydrophobicContact CG-CG 3.87Å; W69-P77 HydrophobicContact CZ2-CB 4.33Å; W69-P77 HydrophobicContact CZ2-CG 4.49Å; W69-H174 HydrophobicContact CH2-CB 3.42Å; W69-H174 VanDerWaalsContact CH2-CB 3.42Å; W69-H174 HydrophobicContact CZ2-CB 3.95Å; W69-H174 HydrophobicContact CZ3-CB 4.12Å; W69-M179 HydrophobicContact CH2-CB 3.66Å; W69-M179 HydrophobicContact CH2-CE 3.99Å; W69-M179 HydrophobicContact CZ2-CB 4.48Å; W69-M179 HydrophobicContact CZ2-CE 3.79Å; W69-M179 HydrophobicContact CZ3-CB 4.5Å; W69-I181 HydrophobicContact CB-CD1 3.62Å; W69-I181 HydrophobicContact CD2-CD1 4.25Å; W69-I181 HydrophobicContact CD2-CG1 4.43Å; W69-I181 HydrophobicContact CE3-CD1 3.66Å; W69-I181 HydrophobicContact CE3-CG1 3.58Å; W69-I181 HydrophobicContact CG-CD1 4.3Å; W69-I181 HydrophobicContact CZ3-CG1 4.16Å; W69-I181 VanDerWaalsContact N-CD1 3.3Å
70	L	90.4	Very high	88.7	Confident	24 Å²	24	43.9 Å²	43.9	13%	0.126	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-36.3	-179.3	-69.2	179	0	0	0	112	I66 V67 K72 G74 L83 L88	I66-L70 HydrophobicContact CD1-CG 4.49Å; I66-L70 HydrophobicContact CG1-CD1 4.24Å; I66-L70 HydrophobicContact CG1-CG 4.28Å; I66-L70 WeakPolarHBondContact O-CG 3.34Å; I66-L70 PolarHBondContact O-N 2.79Å; V67-L70 PolarHBondContact O-N 3Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 2.82Å; L70-G74 VanDerWaalsContact O-CA 3.29Å; L70-G74 WeakPolarHBondContact O-CA 3.4Å; L70-G74 PolarHBondContact O-N 2.87Å; L70-L83 HydrophobicContact CD2-CB 3.98Å; L70-L83 HydrophobicContact CD2-CD2 4.15Å; L70-L83 HydrophobicContact CD2-CG 4.22Å; L70-L83 WeakPolarHBondContact CD2-O 3.46Å; L70-L88 HydrophobicContact CD1-CD1 3.93Å
71	K	88.4	Confident	88.5	Confident	177 Å²	177	49.2 Å²	49.2	77%	0.77	26%	0.259	S	S	*	.	H	α-helix	trans	-62.9	-36.4	174.1	-73.1	178.8	179.4	-179.4	0	112.9	V67 P68 W69	V67-K71 WeakPolarHBondContact O-CG 3.3Å; V67-K71 PolarHBondContact O-N 2.76Å; V67-K71 VanDerWaalsContact O-N 3.14Å; P68-K71 PolarHBondContact O-N 2.85Å; W69-K71 VanDerWaalsContact C-N 3.3Å; W69-K71 PolarHBondContact O-N 2.88Å
72	K	86.9	Confident	88.3	Confident	101 Å²	101	58.4 Å²	58.4	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-87	-43.8	-175.8	-171.1	173.6	-179.4	-176.8	0	113.1	P68 W69 L70	P68-K72 PolarHBondContact O-N 3.29Å; W69-K72 PolarHBondContact O-N 2.8Å; W69-K72 VanDerWaalsContact O-N 3.13Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 2.82Å
73	Y	86.3	Confident	88	Confident	79 Å²	79	58.7 Å²	58.7	31%	0.31	30%	0.3	S	S	.	.	H	α-helix	trans	-117.5	-17.8	-169.7	-62.8	-69.7	0	0	0	114.4	W69 T75 K180 I181	W69-Y73 AromaticContact CD2-CD2 3.83Å; W69-Y73 HydrophobicContact CD2-CD2 3.83Å; W69-Y73 HydrophobicContact CD2-CE2 4.49Å; W69-Y73 AromaticContact CE2-CD2 3.76Å; W69-Y73 AromaticContact CE3-CD2 3.99Å; W69-Y73 HydrophobicContact CE3-CD2 3.99Å; W69-Y73 HydrophobicContact CE3-CE2 4.2Å; W69-Y73 HydrophobicContact CG-CD2 4.44Å; W69-Y73 AromaticContact CH2-CD2 3.99Å; W69-Y73 HydrophobicContact CH2-CD2 3.99Å; W69-Y73 HydrophobicContact CH2-CE2 4.1Å; W69-Y73 AromaticContact CZ2-CD2 3.87Å; W69-Y73 HydrophobicContact CZ2-CD2 3.87Å; W69-Y73 HydrophobicContact CZ2-CE2 4.43Å; W69-Y73 HydrophobicContact CZ2-CG 4.3Å; W69-Y73 HydrophobicContact CZ3-CD2 4.06Å; W69-Y73 AromaticContact CZ3-CE2 3.98Å; W69-Y73 HydrophobicContact CZ3-CE2 3.98Å; W69-Y73 PolarHBondContact O-N 2.88Å; Y73-T75 WeakPolarHBondContact O-CG2 3.46Å; Y73-T75 PolarHBondContact O-N 2.83Å; Y73-T75 PolarHBondContact O-OG1 2.58Å; Y73-K180 PolarHBondContact OH-O 3.14Å; Y73-I181 HydrophobicContact CE2-CG1 4.17Å
74	G	85.1	Confident	87.8	Confident	32 Å²	32	60.8 Å²	60.8	33%	0.33	31%	0.312	S	S	.	.			trans	57	21.1	179.3	0	0	0	0	0	115.3	L70 L83	L70-G74 VanDerWaalsContact O-CA 3.29Å; L70-G74 WeakPolarHBondContact O-CA 3.4Å; L70-G74 PolarHBondContact O-N 2.87Å; G74-L83 PolarHBondContact O-N 2.84Å
75	T	88.8	Confident	87.5	Confident	28 Å²	28	57.9 Å²	57.9	17%	0.172	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-130.7	156.6	-173.7	46.5	0	0	0	0	111	W69 Y73 E81	W69-T75 PolarHBondContact NE1-O 2.58Å; Y73-T75 WeakPolarHBondContact O-CG2 3.46Å; Y73-T75 PolarHBondContact O-N 2.83Å; Y73-T75 PolarHBondContact O-OG1 2.58Å; T75-E81 CarbonylContact C-O 3.6Å; T75-E81 WeakPolarHBondContact CA-O 3.48Å
76	N	88.4	Confident	87.4	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	34%	0.34	C	S	.	.			trans	-76.1	123.7	175	-179.1	-8.1	0	0	0	110	F61 S78 N79 G80 E81 L83	F61-N76 WeakPolarHBondContact CZ-OD1 3.36Å; N76-S78 PolarHBondContact O-N 2.99Å; N76-S78 VanDerWaalsContact O-N 3.17Å; N76-S78 PolarHBondContact OD1-N 2.86Å; N76-S78 PolarHBondContact OD1-OG 3.1Å; N76-N79 WeakPolarHBondContact CB-OD1 3.45Å; N76-N79 VanDerWaalsContact CG-OD1 3.27Å; N76-N79 PolarHBondContact ND2-OD1 3.16Å; N76-N79 VanDerWaalsContact ND2-OD1 3.16Å; N76-G80 VanDerWaalsContact O-CA 3.29Å; N76-G80 WeakPolarHBondContact O-CA 3.24Å; N76-G80 PolarHBondContact O-N 3.27Å; N76-E81 PolarHBondContact N-O 2.76Å; N76-L83 HydrophobicContact CB-CB 4.07Å; N76-L83 HydrophobicContact CB-CD2 4.13Å
77	P	86.8	Confident	87.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.9	-178.1	-20.9	27.8	0	0	0	115.9	L44 F61 I66 W69 Y173 H174	L44-P77 HydrophobicContact CB-CB 4.45Å; L44-P77 HydrophobicContact CB-CG 4.35Å; L44-P77 HydrophobicContact CD1-CB 3.88Å; L44-P77 HydrophobicContact CD1-CG 4.02Å; L44-P77 HydrophobicContact CD2-CG 4.29Å; L44-P77 HydrophobicContact CG-CG 4.45Å; F61-P77 HydrophobicContact CD1-CG 4.43Å; F61-P77 HydrophobicContact CE1-CB 3.91Å; F61-P77 HydrophobicContact CE1-CG 3.71Å; F61-P77 HydrophobicContact CZ-CB 4.24Å; F61-P77 HydrophobicContact CZ-CG 4.01Å; I66-P77 HydrophobicContact CD1-CG 3.64Å; W69-P77 HydrophobicContact CD2-CB 4.49Å; W69-P77 HydrophobicContact CD2-CG 3.93Å; W69-P77 HydrophobicContact CG-CG 3.87Å; W69-P77 HydrophobicContact CZ2-CB 4.33Å; W69-P77 HydrophobicContact CZ2-CG 4.49Å; P77-Y173 PolarHBondContact O-N 3.18Å; P77-H174 HydrophobicContact CB-CB 4.4Å; P77-H174 PolarHBondContact O-N 3.16Å; P77-H174 PolarHBondContact O-ND1 3.43Å
78	S	86	Confident	87.4	Confident	18 Å²	18	68.1 Å²	68.1	13%	0.126	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-45.9	-175.3	60.9	0	0	0	0	112.8	N76 Y173	N76-S78 PolarHBondContact O-N 2.99Å; N76-S78 VanDerWaalsContact O-N 3.17Å; N76-S78 PolarHBondContact OD1-N 2.86Å; N76-S78 PolarHBondContact OD1-OG 3.1Å; S78-Y173 WeakPolarHBondContact O-CB 3.49Å; S78-Y173 PolarHBondContact O-N 3.04Å
79	N	85.6	Confident	87.6	Confident	65 Å²	65	66.6 Å²	66.6	35%	0.348	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-14.2	-175.2	68.9	-0.2	0	0	0	114.7	N76 E81	N76-N79 WeakPolarHBondContact CB-OD1 3.45Å; N76-N79 VanDerWaalsContact CG-OD1 3.27Å; N76-N79 PolarHBondContact ND2-OD1 3.16Å; N76-N79 VanDerWaalsContact ND2-OD1 3.16Å; N79-E81 VanDerWaalsContact ND2-CD 3.27Å; N79-E81 PolarHBondContact ND2-OE2 2.76Å; N79-E81 PolarHBondContact OD1-N 3.33Å; N79-E81 VanDerWaalsContact OD1-N 3.11Å
80	G	83.2	Confident	87.9	Confident	20 Å²	20	73.6 Å²	73.6	21%	0.206	37%	0.365	C	S	.	.			trans	84	3.4	178.7	0	0	0	0	0	115.6	N76 Y173	N76-G80 VanDerWaalsContact O-CA 3.29Å; N76-G80 WeakPolarHBondContact O-CA 3.24Å; N76-G80 PolarHBondContact O-N 3.27Å; G80-Y173 VanDerWaalsContact CA-CD1 3.42Å
81	E	89	Confident	88.1	Confident	120 Å²	120	72.7 Å²	72.7	56%	0.561	36%	0.361	S	S	*	.			trans	-73.9	159.6	178	-66.1	177.1	166.4	0	0	111.8	T75 N76 N79 L83	T75-E81 CarbonylContact C-O 3.6Å; T75-E81 WeakPolarHBondContact CA-O 3.48Å; N76-E81 PolarHBondContact N-O 2.76Å; N79-E81 VanDerWaalsContact ND2-CD 3.27Å; N79-E81 PolarHBondContact ND2-OE2 2.76Å; N79-E81 PolarHBondContact OD1-N 3.33Å; N79-E81 VanDerWaalsContact OD1-N 3.11Å; E81-L83 PolarHBondContact O-N 2.91Å
82	K	88.7	Confident	88.3	Confident	194 Å²	194	67.3 Å²	67.3	84%	0.843	34%	0.341	S	S	*	.	B	Isolated β-bridge	trans	-68.4	132	176.1	-70.7	-175.2	178.4	-179.1	0	110.1
83	L	88.4	Confident	88.7	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.084	33%	0.327	C	S	.	.			trans	-131.8	127.7	-177.8	-177.2	68.2	0	0	0	110.3	T55 L70 G74 N76 E81 S87 L88	T55-L83 HydrophobicContact CG2-CD1 4.1Å; T55-L83 HydrophobicContact CG2-CD2 3.62Å; L70-L83 HydrophobicContact CD2-CB 3.98Å; L70-L83 HydrophobicContact CD2-CD2 4.15Å; L70-L83 HydrophobicContact CD2-CG 4.22Å; L70-L83 WeakPolarHBondContact CD2-O 3.46Å; G74-L83 PolarHBondContact O-N 2.84Å; N76-L83 HydrophobicContact CB-CB 4.07Å; N76-L83 HydrophobicContact CB-CD2 4.13Å; E81-L83 PolarHBondContact O-N 2.91Å; L83-S87 WeakPolarHBondContact CD1-OG 3.39Å; L83-L88 HydrophobicContact CD2-CD2 4.12Å
84	D	85.5	Confident	88.9	Confident	123 Å²	123	61.7 Å²	61.7	66%	0.658	32%	0.323	S	S	*	.			trans	-92	138.9	176.5	-69.6	-29.2	0	0	0	110.8	R86 S87	D84-R86 PolarHBondContact O-N 3.46Å; D84-S87 PolarHBondContact O-N 2.77Å; D84-S87 PolarHBondContact O-OG 3.48Å
85	G	84	Confident	89.3	Confident	50 Å²	50	66 Å²	66	52%	0.515	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.7	-20.2	178.9	0	0	0	0	0	114.4
86	R	86.9	Confident	89.5	Confident	251 Å²	251	67.1 Å²	67.1	95%	0.947	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-78	-20.4	177.2	-66.9	-177.4	-177.6	173.5	0.7	113.7	D84 L88	D84-R86 PolarHBondContact O-N 3.46Å; R86-L88 VanDerWaalsContact C-N 3.28Å
87	S	88.3	Confident	89.6	Confident	45 Å²	45	73.3 Å²	73.3	32%	0.315	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-86.2	-2.6	178.5	65.7	0	0	0	0	112.9	L83 D84	L83-S87 WeakPolarHBondContact CD1-OG 3.39Å; D84-S87 PolarHBondContact O-N 2.77Å; D84-S87 PolarHBondContact O-OG 3.48Å
88	L	91.2	Very high	89.8	Confident	29 Å²	29	79.9 Å²	79.9	15%	0.152	41%	0.412	C	S	.	.			trans	-72.7	131.5	173.4	-67.3	176.5	0	0	0	110.6	T55 I66 L70 L83 R86	T55-L88 HydrophobicContact CG2-CD2 4.17Å; I66-L88 HydrophobicContact CG1-CD1 4.27Å; I66-L88 HydrophobicContact CG2-CD1 3.93Å; L70-L88 HydrophobicContact CD1-CD1 3.93Å; L83-L88 HydrophobicContact CD2-CD2 4.12Å; R86-L88 VanDerWaalsContact C-N 3.28Å
89	I	93.7	Very high	89.9	Confident	23 Å²	23	81 Å²	81	12%	0.118	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.8	-179.3	-60.5	148.5	0	0	0	107.8	V53 C54 R120 I156	V53-I89 CarbonylContact C-O 3.57Å; V53-I89 WeakPolarHBondContact CA-O 3.42Å; C54-I89 PolarHBondContact N-O 2.98Å; C54-I89 PolarHBondContact O-N 2.98Å; I89-R120 HydrophobicContact CD1-CB 4.44Å; I89-R120 HydrophobicContact CD1-CG 3.72Å; I89-R120 HydrophobicContact CG1-CG 4.26Å; I89-I156 HydrophobicContact CD1-CD1 3.3Å
90	K	94.6	Very high	90.2	Very high	147 Å²	147	83.2 Å²	83.2	64%	0.639	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	131.7	176.1	-176.4	-179.1	174.6	-174.3	0	109.6	G123	K90-G123 WeakPolarHBondContact O-CA 3.5Å
91	L	94.8	Very high	90.7	Very high	5 Å²	5	83.9 Å²	83.9	3%	0.026	43%	0.43	C	S	.	.			trans	-99.4	134.9	177.6	-66.3	-179.5	0	0	0	111.4	P52 C54 V60 F93 A118 G123 V125 L158	P52-L91 HydrophobicContact CB-CB 4.07Å; P52-L91 HydrophobicContact CB-CD1 4.38Å; P52-L91 HydrophobicContact CG-CB 4.12Å; P52-L91 PolarHBondContact O-N 3.22Å; C54-L91 HydrophobicContact CB-CD1 3.86Å; C54-L91 HydrophobicContact CB-CD2 4.36Å; C54-L91 HydrophobicContact CB-CG 4.14Å; C54-L91 VanDerWaalsContact SG-CD2 3.59Å; V60-L91 HydrophobicContact CG1-CD1 4.28Å; V60-L91 HydrophobicContact CG2-CD1 4Å; L91-F93 HydrophobicContact CB-CD2 4.2Å; L91-F93 HydrophobicContact CB-CE2 3.96Å; L91-F93 HydrophobicContact CD1-CE2 3.9Å; L91-F93 HydrophobicContact CD1-CZ 4.43Å; L91-A118 HydrophobicContact CD2-CB 3.53Å; L91-G123 CarbonylContact C-O 3.55Å; L91-G123 WeakPolarHBondContact CA-O 3.26Å; L91-V125 HydrophobicContact CB-CG2 4.21Å; L91-V125 HydrophobicContact CD2-CG2 4.08Å; L91-L158 HydrophobicContact CD1-CD1 3.64Å; L91-L158 HydrophobicContact CD1-CD2 4.01Å; L91-L158 HydrophobicContact CD2-CD1 4.14Å; L91-L158 HydrophobicContact CD2-CD2 4.43Å
92	N	93.3	Very high	91	Very high	65 Å²	65	78.9 Å²	78.9	35%	0.348	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-111	100.5	175.9	-58.8	-37.4	0	0	0	109.1	T122 G123 N124 V125	N92-T122 PolarHBondContact ND2-O 3Å; N92-G123 PolarHBondContact N-O 3.22Å; N92-N124 WeakPolarHBondContact CB-OD1 3.38Å; N92-N124 PolarHBondContact ND2-OD1 3.33Å; N92-V125 PolarHBondContact O-N 3.29Å
93	F	93.5	Very high	91.2	Very high	34 Å²	34	69.6 Å²	69.6	15%	0.149	37%	0.366	C	S	.	.			trans	-90.9	132.6	174.3	-77.5	-94.1	0	0	0	111.3	F49 P52 L91 Y101 F110 V125 L158	F49-F93 HydrophobicContact CE2-CD2 4.05Å; F49-F93 AromaticContact CE2-CE2 3.97Å; F49-F93 HydrophobicContact CE2-CE2 3.97Å; F49-F93 HydrophobicContact CZ-CD2 4.12Å; F49-F93 HydrophobicContact CZ-CE1 4.49Å; F49-F93 AromaticContact CZ-CE2 3.62Å; F49-F93 HydrophobicContact CZ-CE2 3.62Å; F49-F93 AromaticContact CZ-CZ 3.83Å; F49-F93 HydrophobicContact CZ-CZ 3.83Å; P52-F93 HydrophobicContact CB-CD2 4.27Å; P52-F93 HydrophobicContact CB-CE2 4Å; P52-F93 HydrophobicContact CG-CD2 3.69Å; P52-F93 HydrophobicContact CG-CE2 3.95Å; L91-F93 HydrophobicContact CB-CD2 4.2Å; L91-F93 HydrophobicContact CB-CE2 3.96Å; L91-F93 HydrophobicContact CD1-CE2 3.9Å; L91-F93 HydrophobicContact CD1-CZ 4.43Å; F93-Y101 HydrophobicContact CB-CD1 3.51Å; F93-Y101 HydrophobicContact CB-CE1 3.57Å; F93-Y101 HydrophobicContact CB-CG 4.5Å; F93-Y101 HydrophobicContact CD1-CD1 4.08Å; F93-Y101 HydrophobicContact CD1-CG 4.29Å; F93-Y101 HydrophobicContact CG-CD1 4.06Å; F93-Y101 HydrophobicContact CG-CE1 4.15Å; F93-F110 HydrophobicContact CD1-CD2 4.49Å; F93-F110 HydrophobicContact CD1-CE2 4.39Å; F93-V125 HydrophobicContact CD1-CB 4.19Å; F93-V125 HydrophobicContact CD1-CG1 4.04Å; F93-V125 HydrophobicContact CD1-CG2 4.28Å; F93-V125 HydrophobicContact CD2-CG2 4.08Å; F93-V125 HydrophobicContact CE1-CB 4.26Å; F93-V125 HydrophobicContact CE1-CG1 3.71Å; F93-V125 HydrophobicContact CE1-CG2 4.21Å; F93-V125 HydrophobicContact CE2-CG2 4.02Å; F93-V125 HydrophobicContact CG-CB 4.48Å; F93-V125 HydrophobicContact CG-CG2 4.22Å; F93-V125 HydrophobicContact CZ-CG1 4.18Å; F93-V125 HydrophobicContact CZ-CG2 4.08Å; F93-L158 HydrophobicContact CZ-CD1 4.18Å
94	A	92	Very high	91.4	Very high	28 Å²	28	70 Å²	70	23%	0.231	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137	172.2	0	0	0	0	0	111.1	Y101 H102 P104	A94-Y101 WeakPolarHBondContact O-CA 2.99Å; A94-H102 PolarHBondContact O-N 3.45Å; A94-H102 PolarHBondContact O-ND1 3.08Å; A94-P104 HydrophobicContact CB-CB 4Å; A94-P104 HydrophobicContact CB-CG 4.39Å
95	K	92.9	Very high	91.6	Very high	123 Å²	123	66.1 Å²	66.1	54%	0.535	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.2	176.1	-69.4	-176.4	180	-177.2	0	110.6	K100 Y101 H102	K95-K100 CarbonylContact C-O 3.52Å; K95-K100 WeakPolarHBondContact CA-O 3.16Å; K95-Y101 HydrophobicContact CD-CD1 4.42Å; K95-Y101 HydrophobicContact CD-CE1 4.05Å; K95-Y101 VanDerWaalsContact CE-CZ 3.41Å; K95-Y101 WeakPolarHBondContact CE-OH 3.46Å; K95-Y101 HydrophobicContact CG-CD1 3.66Å; K95-Y101 HydrophobicContact CG-CE1 3.74Å; K95-H102 VanDerWaalsContact C-ND1 3.34Å; K95-H102 PolarHBondContact O-CE1 2.93Å
96	N	92.2	Very high	91.9	Very high	50 Å²	50	66.4 Å²	66.4	27%	0.267	34%	0.339	S	S	.	.			trans	-74.6	173.3	172.3	-81.6	-20	0	0	0	111	E98 G99 K100 H102	N96-E98 PolarHBondContact O-N 3.29Å; N96-E98 VanDerWaalsContact O-N 3.16Å; N96-G99 PolarHBondContact O-N 3.41Å; N96-K100 PolarHBondContact N-O 3.07Å; N96-H102 VanDerWaalsContact CG-CG 3.46Å; N96-H102 PolarHBondContact N-ND1 3.49Å; N96-H102 PolarHBondContact OD1-CD2 3.17Å; N96-H102 PolarHBondContact OD1-CE1 3.38Å; N96-H102 PolarHBondContact OD1-ND1 3.4Å; N96-H102 PolarHBondContact OD1-NE2 3Å; N96-H102 VanDerWaalsContact OD1-NE2 3.13Å
97	S	91.6	Very high	92	Very high	133 Å²	133	61.3 Å²	61.3	93%	0.93	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.3	172.7	51	0	0	0	0	113.5	G99	S97-G99 VanDerWaalsContact C-N 3.29Å; S97-G99 PolarHBondContact O-N 3.21Å
98	E	90.8	Very high	92.1	Very high	138 Å²	138	62.1 Å²	62.1	65%	0.645	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	2.8	174.5	-60.3	-178	-177.6	0	0	114.2	N96 K100	N96-E98 PolarHBondContact O-N 3.29Å; N96-E98 VanDerWaalsContact O-N 3.16Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 3.33Å; E98-K100 IonicContact OE2-NZ 2.77Å; E98-K100 PolarHBondContact OE2-NZ 3.4Å
99	G	88.1	Confident	92.3	Very high	43 Å²	43	63.7 Å²	63.7	44%	0.443	34%	0.338	S	S	.	.	S	Bend	trans	77.8	1.5	-179.7	0	0	0	0	0	115.8	N96 S97	N96-G99 PolarHBondContact O-N 3.41Å; S97-G99 VanDerWaalsContact C-N 3.29Å; S97-G99 PolarHBondContact O-N 3.21Å
100	K	91.6	Very high	92.3	Very high	111 Å²	111	63.1 Å²	63.1	48%	0.483	34%	0.335	S	S	.	.			trans	-80.4	143.1	176.9	-64.1	173.3	-174.6	151.9	0	111.8	K95 N96 E98 V109	K95-K100 CarbonylContact C-O 3.52Å; K95-K100 WeakPolarHBondContact CA-O 3.16Å; N96-K100 PolarHBondContact N-O 3.07Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 3.33Å; E98-K100 IonicContact OE2-NZ 2.77Å; E98-K100 PolarHBondContact OE2-NZ 3.4Å; K100-V109 HydrophobicContact CB-CG1 4.07Å; K100-V109 HydrophobicContact CD-CG1 4.28Å
101	Y	94.3	Very high	92.1	Very high	34 Å²	34	59.4 Å²	59.4	13%	0.133	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.2	175.5	-63.3	-64	0	0	0	111.5	F39 D40 F49 F93 A94 K95 F110	F39-Y101 HydrophobicContact CE2-CD2 4.04Å; F39-Y101 HydrophobicContact CE2-CG 4.49Å; F39-Y101 HydrophobicContact CZ-CD2 4.4Å; D40-Y101 HydrophobicContact CB-CD2 4.4Å; D40-Y101 HydrophobicContact CB-CE2 4.15Å; F49-Y101 HydrophobicContact CE2-CE2 4.33Å; F93-Y101 HydrophobicContact CB-CD1 3.51Å; F93-Y101 HydrophobicContact CB-CE1 3.57Å; F93-Y101 HydrophobicContact CB-CG 4.5Å; F93-Y101 HydrophobicContact CD1-CD1 4.08Å; F93-Y101 HydrophobicContact CD1-CG 4.29Å; F93-Y101 HydrophobicContact CG-CD1 4.06Å; F93-Y101 HydrophobicContact CG-CE1 4.15Å; A94-Y101 WeakPolarHBondContact O-CA 2.99Å; K95-Y101 HydrophobicContact CD-CD1 4.42Å; K95-Y101 HydrophobicContact CD-CE1 4.05Å; K95-Y101 VanDerWaalsContact CE-CZ 3.41Å; K95-Y101 WeakPolarHBondContact CE-OH 3.46Å; K95-Y101 HydrophobicContact CG-CD1 3.66Å; K95-Y101 HydrophobicContact CG-CE1 3.74Å; Y101-F110 PolarHBondContact O-N 2.95Å
102	H	93.9	Very high	91.8	Very high	14 Å²	14	62.8 Å²	62.8	7%	0.065	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.5	-177.9	74.2	-69.4	0	0	0	111.9	A94 K95 N96 T108 F110	A94-H102 PolarHBondContact O-N 3.45Å; A94-H102 PolarHBondContact O-ND1 3.08Å; K95-H102 VanDerWaalsContact C-ND1 3.34Å; K95-H102 PolarHBondContact O-CE1 2.93Å; N96-H102 VanDerWaalsContact CG-CG 3.46Å; N96-H102 PolarHBondContact N-ND1 3.49Å; N96-H102 PolarHBondContact OD1-CD2 3.17Å; N96-H102 PolarHBondContact OD1-CE1 3.38Å; N96-H102 PolarHBondContact OD1-ND1 3.4Å; N96-H102 PolarHBondContact OD1-NE2 3Å; N96-H102 VanDerWaalsContact OD1-NE2 3.13Å; H102-T108 CarbonylContact C-O 3.54Å; H102-T108 VanDerWaalsContact CA-O 3.25Å; H102-T108 WeakPolarHBondContact CA-O 3.37Å; H102-T108 WeakPolarHBondContact CB-O 3.34Å; H102-F110 VanDerWaalsContact O-CE2 3.28Å; H102-F110 WeakPolarHBondContact O-CE2 3.37Å
103	C	93	Very high	91.5	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.355	C	S	.	.			trans	-72.7	122.4	170.8	-178.3	0	0	0	0	109.4	V105 L106 F107 T108 F110 A127	C103-V105 PolarHBondContact O-N 2.86Å; C103-L106 HydrophobicContact CB-CB 4.38Å; C103-F107 WeakPolarHBondContact O-CA 3.43Å; C103-F107 PolarHBondContact O-N 3.34Å; C103-T108 PolarHBondContact N-O 3.48Å; C103-F110 HydrophobicContact CB-CE1 4.02Å; C103-F110 HydrophobicContact CB-CZ 3.92Å; C103-A127 HydrophobicContact CB-CB 3.98Å; C103-A127 PolarHBondContact SG-N 3.1Å; C103-A127 VanDerWaalsContact SG-N 3.42Å
104	P	92.4	Very high	91.4	Very high	24 Å²	24	65 Å²	65	16%	0.156	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.4	-175.2	27.8	-35.6	0	0	0	114.2	A94 V125 Y126 L145	A94-P104 HydrophobicContact CB-CB 4Å; A94-P104 HydrophobicContact CB-CG 4.39Å; P104-V125 WeakPolarHBondContact CD-O 3.28Å; P104-Y126 HydrophobicContact CG-CD1 3.87Å; P104-Y126 HydrophobicContact CG-CE1 3.68Å; P104-L145 HydrophobicContact CB-CD1 4.04Å; P104-L145 HydrophobicContact CB-CD2 4.19Å; P104-L145 HydrophobicContact CG-CD1 3.7Å; P104-L145 HydrophobicContact CG-CD2 4.45Å; P104-L145 HydrophobicContact CG-CG 4.32Å
105	V	91.1	Very high	91.4	Very high	42 Å²	42	66 Å²	66	26%	0.255	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-47.4	-179.1	-179	0	0	0	0	111.6	C103 Y126 L134 L144	C103-V105 PolarHBondContact O-N 2.86Å; V105-Y126 HydrophobicContact CG2-CD1 4.02Å; V105-Y126 HydrophobicContact CG2-CE1 3.86Å; V105-L134 HydrophobicContact CG1-CD1 3.73Å; V105-L144 HydrophobicContact CG2-CB 3.74Å; V105-L144 HydrophobicContact CG2-CD1 4.01Å; V105-L144 HydrophobicContact CG2-CG 4.49Å
106	L	90.6	Very high	91.5	Very high	55 Å²	55	60.3 Å²	60.3	29%	0.288	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.1	-178.5	-65.8	178.9	0	0	0	113.2	C103 T108 A127 E129 A130	C103-L106 HydrophobicContact CB-CB 4.38Å; L106-T108 HydrophobicContact CB-CG2 4.06Å; L106-T108 PolarHBondContact O-N 3.03Å; L106-A127 HydrophobicContact CD1-CB 4.4Å; L106-E129 HydrophobicContact CD1-CB 4.13Å; L106-E129 HydrophobicContact CD1-CG 4.18Å; L106-A130 HydrophobicContact CD1-CB 3.67Å; L106-A130 HydrophobicContact CG-CB 3.79Å
107	F	89.2	Confident	91.6	Very high	144 Å²	144	58 Å²	58	63%	0.632	32%	0.32	S	S	*	.			trans	55.7	12.7	-173.6	-58.1	-77	0	0	0	115.3	C103	C103-F107 WeakPolarHBondContact O-CA 3.43Å; C103-F107 PolarHBondContact O-N 3.34Å
108	T	90.6	Very high	91.8	Very high	62 Å²	62	51.7 Å²	51.7	38%	0.38	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-75.9	131.1	178.4	51.3	0	0	0	0	110.7	H102 C103 L106	H102-T108 CarbonylContact C-O 3.54Å; H102-T108 VanDerWaalsContact CA-O 3.25Å; H102-T108 WeakPolarHBondContact CA-O 3.37Å; H102-T108 WeakPolarHBondContact CB-O 3.34Å; C103-T108 PolarHBondContact N-O 3.48Å; L106-T108 HydrophobicContact CB-CG2 4.06Å; L106-T108 PolarHBondContact O-N 3.03Å
109	V	94	Very high	92	Very high	63 Å²	63	45.1 Å²	45.1	38%	0.382	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-73.6	133.8	178.4	179.7	0	0	0	0	109.8	K100	K100-V109 HydrophobicContact CB-CG1 4.07Å; K100-V109 HydrophobicContact CD-CG1 4.28Å
110	F	94.1	Very high	92.2	Very high	10 Å²	10	47.9 Å²	47.9	4%	0.044	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-72.4	140	177.1	-65.3	-49.4	0	0	0	111.4	F39 F93 Y101 H102 C103 I116 V125 A127	F39-F110 HydrophobicContact CE1-CB 4.29Å; F39-F110 HydrophobicContact CE2-CB 3.77Å; F39-F110 HydrophobicContact CZ-CB 3.61Å; F93-F110 HydrophobicContact CD1-CD2 4.49Å; F93-F110 HydrophobicContact CD1-CE2 4.39Å; Y101-F110 PolarHBondContact O-N 2.95Å; H102-F110 VanDerWaalsContact O-CE2 3.28Å; H102-F110 WeakPolarHBondContact O-CE2 3.37Å; C103-F110 HydrophobicContact CB-CE1 4.02Å; C103-F110 HydrophobicContact CB-CZ 3.92Å; F110-I116 HydrophobicContact CB-CD1 3.88Å; F110-I116 HydrophobicContact CD1-CD1 3.81Å; F110-I116 HydrophobicContact CD1-CG1 3.81Å; F110-I116 HydrophobicContact CD2-CD1 4.37Å; F110-I116 HydrophobicContact CE1-CD1 4.44Å; F110-I116 HydrophobicContact CE1-CG1 4.13Å; F110-I116 HydrophobicContact CE1-CG2 4.37Å; F110-I116 HydrophobicContact CG-CD1 3.78Å; F110-I116 HydrophobicContact CG-CG1 4.31Å; F110-I116 HydrophobicContact CZ-CG2 4.4Å; F110-V125 HydrophobicContact CE2-CG1 4.24Å; F110-V125 HydrophobicContact CZ-CG1 4.25Å; F110-A127 HydrophobicContact CE1-CB 4.1Å
111	T	91.3	Very high	92.2	Very high	70 Å²	70	45.8 Å²	45.8	43%	0.429	24%	0.239	S	C	.	.			trans	-131.3	171.6	176.9	71.3	0	0	0	0	110.4	N113 T114 Q159	T111-N113 PolarHBondContact O-N 3.48Å; T111-N113 PolarHBondContact OG1-N 2.77Å; T111-T114 PolarHBondContact N-OG1 3.25Å; T111-T114 PolarHBondContact O-N 3.27Å; T111-T114 VanDerWaalsContact O-N 3.12Å; T111-T114 PolarHBondContact O-OG1 2.7Å; T111-T114 PolarHBondContact OG1-N 2.72Å; T111-Q159 PolarHBondContact O-NE2 2.62Å
112	N	87.1	Confident	92	Very high	76 Å²	76	45.1 Å²	45.1	41%	0.406	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-5.9	176	-70.2	-28.9	0	0	0	114.4	R36 F39 Q159	R36-N112 PolarHBondContact NH1-O 2.94Å; R36-N112 PolarHBondContact NH2-O 3.15Å; R36-N112 VanDerWaalsContact NH2-O 3.1Å; F39-N112 WeakPolarHBondContact CD1-OD1 3.32Å; N112-Q159 PolarHBondContact O-NE2 3.26Å
113	N	87.6	Confident	91.9	Very high	112 Å²	112	44.6 Å²	44.6	60%	0.599	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.1	0.9	177.9	-62.8	-24.8	0	0	0	113.3	R36 T111 P161	R36-N113 PolarHBondContact NH1-OD1 3.36Å; T111-N113 PolarHBondContact O-N 3.48Å; T111-N113 PolarHBondContact OG1-N 2.77Å; N113-P161 WeakPolarHBondContact O-CB 3.5Å
114	T	91.4	Very high	92	Very high	34 Å²	34	45.5 Å²	45.5	21%	0.209	24%	0.242	C	C	.	.	S	Bend	trans	-73.5	141.5	174	46.8	0	0	0	0	110.6	T111 I116 Q159	T111-T114 PolarHBondContact N-OG1 3.25Å; T111-T114 PolarHBondContact O-N 3.27Å; T111-T114 VanDerWaalsContact O-N 3.12Å; T111-T114 PolarHBondContact O-OG1 2.7Å; T111-T114 PolarHBondContact OG1-N 2.72Å; T114-I116 PolarHBondContact O-N 2.82Å; T114-Q159 PolarHBondContact O-OE1 2.85Å
115	H	92.8	Very high	92.1	Very high	49 Å²	49	44.4 Å²	44.4	23%	0.227	24%	0.235	C	C	.	.			trans	-81.9	110.9	171	-174.3	-170.1	0	0	0	108.9	Y128 T157 Q159 D160 P161	H115-Y128 AromaticContact CE1-CD1 3.47Å; H115-Y128 VanDerWaalsContact CE1-CD1 3.47Å; H115-Y128 WeakPolarHBondContact CE1-CD1 3.44Å; H115-Y128 AromaticContact CE1-CD2 3.38Å; H115-Y128 WeakPolarHBondContact CE1-CD2 3.43Å; H115-Y128 AromaticContact CE1-CE1 3.94Å; H115-Y128 AromaticContact CE1-CE2 3.85Å; H115-Y128 AromaticContact CE1-CG 3.14Å; H115-Y128 VanDerWaalsContact CG-CB 3.45Å; H115-Y128 AromaticContact CG-CG 3.92Å; H115-Y128 WeakPolarHBondContact ND1-CB 2.97Å; H115-Y128 AromaticContact ND1-CD1 3.26Å; H115-Y128 VanDerWaalsContact ND1-CD1 3.26Å; H115-Y128 WeakPolarHBondContact ND1-CD1 3.42Å; H115-Y128 AromaticContact ND1-CD2 3.92Å; H115-Y128 AromaticContact ND1-CG 3.18Å; H115-Y128 AromaticContact NE2-CD2 3.85Å; H115-Y128 AromaticContact NE2-CG 3.82Å; H115-Y128 PolarHBondContact O-N 2.92Å; H115-T157 VanDerWaalsContact NE2-CG2 3.3Å; H115-T157 WeakPolarHBondContact NE2-CG2 3.48Å; H115-Q159 VanDerWaalsContact CA-O 3.31Å; H115-Q159 WeakPolarHBondContact CA-O 3.08Å; H115-Q159 PolarHBondContact CD2-O 2.81Å; H115-D160 IonicContact CD2-OD1 2.76Å; H115-D160 PolarHBondContact CD2-OD1 3.28Å; H115-D160 IonicContact CE1-OD1 2.76Å; H115-D160 IonicContact CG-OD1 3.98Å; H115-D160 IonicContact NE2-OD1 2.99Å; H115-D160 PolarHBondContact NE2-OD1 3.45Å; H115-P161 HydrophobicContact CB-CG 4.35Å
116	I	94.8	Very high	92.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.9	-172.1	-52.2	-178.2	0	0	0	110	F39 F110 T114 V125 L158 Q159	F39-I116 HydrophobicContact CB-CD1 4.32Å; F39-I116 HydrophobicContact CD2-CD1 3.75Å; F39-I116 HydrophobicContact CE2-CD1 4.27Å; F39-I116 HydrophobicContact CG-CD1 4.02Å; F110-I116 HydrophobicContact CB-CD1 3.88Å; F110-I116 HydrophobicContact CD1-CD1 3.81Å; F110-I116 HydrophobicContact CD1-CG1 3.81Å; F110-I116 HydrophobicContact CD2-CD1 4.37Å; F110-I116 HydrophobicContact CE1-CD1 4.44Å; F110-I116 HydrophobicContact CE1-CG1 4.13Å; F110-I116 HydrophobicContact CE1-CG2 4.37Å; F110-I116 HydrophobicContact CG-CD1 3.78Å; F110-I116 HydrophobicContact CG-CG1 4.31Å; F110-I116 HydrophobicContact CZ-CG2 4.4Å; T114-I116 PolarHBondContact O-N 2.82Å; I116-V125 HydrophobicContact CG2-CG1 3.27Å; I116-L158 HydrophobicContact CB-CB 4.46Å; I116-L158 HydrophobicContact CG2-CB 4.34Å; I116-L158 HydrophobicContact CG2-CD1 4.24Å; I116-L158 PolarHBondContact O-N 3.41Å; I116-Q159 HydrophobicContact CB-CB 4.1Å; I116-Q159 HydrophobicContact CG1-CB 4.29Å; I116-Q159 PolarHBondContact N-O 2.92Å; I116-Q159 PolarHBondContact O-N 3.31Å; I116-Q159 VanDerWaalsContact O-N 3.09Å
117	V	94.4	Very high	92.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.2	-175.8	177.6	0	0	0	0	110.4	Y126 Y128 I155 I156 T157	V117-Y126 PolarHBondContact N-O 3.21Å; V117-Y126 PolarHBondContact O-N 3.37Å; V117-Y126 VanDerWaalsContact O-O 3.09Å; V117-Y128 HydrophobicContact CG2-CD2 3.78Å; V117-Y128 HydrophobicContact CG2-CG 4.31Å; V117-I155 HydrophobicContact CG1-CB 4.46Å; V117-I155 HydrophobicContact CG1-CG2 3.19Å; V117-I156 CarbonylContact C-O 3.58Å; V117-I156 WeakPolarHBondContact CA-O 3.49Å; V117-I156 WeakPolarHBondContact CG1-O 3.27Å; V117-T157 HydrophobicContact CG2-CG2 4.24Å
118	A	95.2	Very high	92.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.7	173.8	0	0	0	0	0	111	L91 N124 V125 I156 L158	L91-A118 HydrophobicContact CD2-CB 3.53Å; A118-N124 WeakPolarHBondContact CA-O 3.31Å; A118-V125 HydrophobicContact CB-CG2 4.24Å; A118-I156 PolarHBondContact N-O 3.23Å; A118-I156 PolarHBondContact O-N 3.48Å; A118-L158 HydrophobicContact CB-CD1 3.92Å; A118-L158 HydrophobicContact CB-CD2 4.34Å; A118-L158 HydrophobicContact CB-CG 4.05Å
119	V	94.8	Very high	93	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.9	170.6	-178.7	0	0	0	0	108.6	T121 G123 N124 Y126 F150	V119-T121 VanDerWaalsContact C-N 3.34Å; V119-T121 WeakPolarHBondContact CG1-OG1 3.17Å; V119-T121 PolarHBondContact O-N 2.9Å; V119-G123 VanDerWaalsContact O-CA 3.22Å; V119-G123 WeakPolarHBondContact O-CA 3.36Å; V119-G123 PolarHBondContact O-N 2.94Å; V119-N124 PolarHBondContact N-O 3.44Å; V119-N124 VanDerWaalsContact N-O 3.08Å; V119-Y126 HydrophobicContact CG2-CD2 4.13Å; V119-Y126 HydrophobicContact CG2-CE2 3.93Å; V119-F150 HydrophobicContact CG1-CB 3.92Å; V119-F150 HydrophobicContact CG1-CD1 3.81Å; V119-F150 HydrophobicContact CG1-CD2 4.02Å; V119-F150 HydrophobicContact CG1-CE1 4.3Å; V119-F150 HydrophobicContact CG1-CG 3.66Å; V119-F150 HydrophobicContact CG2-CE1 4.27Å; V119-F150 HydrophobicContact CG2-CZ 4.29Å
120	R	92.1	Very high	92.8	Very high	100 Å²	100	35.8 Å²	35.8	38%	0.377	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-39.7	-175.4	179.2	178.7	-63.1	-176.6	0.2	113.4	I89 D154 I156	I89-R120 HydrophobicContact CD1-CB 4.44Å; I89-R120 HydrophobicContact CD1-CG 3.72Å; I89-R120 HydrophobicContact CG1-CG 4.26Å; R120-D154 HydrophobicContact CB-CB 3.84Å; R120-D154 VanDerWaalsContact CB-O 3.27Å; R120-D154 WeakPolarHBondContact CB-O 3.3Å; R120-D154 PolarHBondContact N-O 2.83Å; R120-I156 HydrophobicContact CB-CD1 3.81Å; R120-I156 HydrophobicContact CB-CG1 4.36Å; R120-I156 HydrophobicContact CG-CD1 4.17Å
121	T	91	Very high	92.7	Very high	67 Å²	67	35.3 Å²	35.3	41%	0.411	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-48.4	-174.8	50.4	0	0	0	0	111.5	V119 F150	V119-T121 VanDerWaalsContact C-N 3.34Å; V119-T121 WeakPolarHBondContact CG1-OG1 3.17Å; V119-T121 PolarHBondContact O-N 2.9Å; T121-F150 HydrophobicContact CG2-CB 4.12Å
122	T	91.6	Very high	92.8	Very high	21 Å²	21	34.9 Å²	34.9	13%	0.129	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-19.4	-173.1	59.5	0	0	0	0	113.4	N92 N124 D143 T146 E148	N92-T122 PolarHBondContact ND2-O 3Å; T122-N124 PolarHBondContact O-N 2.8Å; T122-N124 PolarHBondContact OG1-ND2 3.27Å; T122-D143 VanDerWaalsContact CB-OD2 3.25Å; T122-D143 WeakPolarHBondContact CB-OD2 3.09Å; T122-D143 HydrophobicContact CG2-CB 4.03Å; T122-D143 WeakPolarHBondContact CG2-OD2 3.47Å; T122-D143 PolarHBondContact OG1-OD2 3.11Å; T122-T146 VanDerWaalsContact CG2-OG1 3.27Å; T122-T146 WeakPolarHBondContact CG2-OG1 3.49Å; T122-E148 HydrophobicContact CG2-CB 3.82Å; T122-E148 HydrophobicContact CG2-CG 4.08Å; T122-E148 WeakPolarHBondContact CG2-OE2 3.4Å
123	G	91.8	Very high	93	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.031	17%	0.174	C	C	.	.			trans	73.4	4.5	-175.1	0	0	0	0	0	114.1	K90 L91 N92 V119	K90-G123 WeakPolarHBondContact O-CA 3.5Å; L91-G123 CarbonylContact C-O 3.55Å; L91-G123 WeakPolarHBondContact CA-O 3.26Å; N92-G123 PolarHBondContact N-O 3.22Å; V119-G123 VanDerWaalsContact O-CA 3.22Å; V119-G123 WeakPolarHBondContact O-CA 3.36Å; V119-G123 PolarHBondContact O-N 2.94Å
124	N	94.5	Very high	93.1	Very high	18 Å²	18	33.7 Å²	33.7	10%	0.096	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-73.4	138	-177.5	-68	-28.8	0	0	0	111.2	N92 A118 V119 T122 Y126 D143	N92-N124 WeakPolarHBondContact CB-OD1 3.38Å; N92-N124 PolarHBondContact ND2-OD1 3.33Å; A118-N124 WeakPolarHBondContact CA-O 3.31Å; V119-N124 PolarHBondContact N-O 3.44Å; V119-N124 VanDerWaalsContact N-O 3.08Å; T122-N124 PolarHBondContact O-N 2.8Å; T122-N124 PolarHBondContact OG1-ND2 3.27Å; N124-Y126 HydrophobicContact CB-CE2 3.7Å; N124-Y126 WeakPolarHBondContact CB-OH 3.44Å; N124-D143 PolarHBondContact ND2-OD2 3.02Å
125	V	95.3	Very high	93.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.2	-174.8	-175.2	0	0	0	0	111.1	L91 N92 F93 P104 F110 I116 A118 L158	L91-V125 HydrophobicContact CB-CG2 4.21Å; L91-V125 HydrophobicContact CD2-CG2 4.08Å; N92-V125 PolarHBondContact O-N 3.29Å; F93-V125 HydrophobicContact CD1-CB 4.19Å; F93-V125 HydrophobicContact CD1-CG1 4.04Å; F93-V125 HydrophobicContact CD1-CG2 4.28Å; F93-V125 HydrophobicContact CD2-CG2 4.08Å; F93-V125 HydrophobicContact CE1-CB 4.26Å; F93-V125 HydrophobicContact CE1-CG1 3.71Å; F93-V125 HydrophobicContact CE1-CG2 4.21Å; F93-V125 HydrophobicContact CE2-CG2 4.02Å; F93-V125 HydrophobicContact CG-CB 4.48Å; F93-V125 HydrophobicContact CG-CG2 4.22Å; F93-V125 HydrophobicContact CZ-CG1 4.18Å; F93-V125 HydrophobicContact CZ-CG2 4.08Å; P104-V125 WeakPolarHBondContact CD-O 3.28Å; F110-V125 HydrophobicContact CE2-CG1 4.24Å; F110-V125 HydrophobicContact CZ-CG1 4.25Å; I116-V125 HydrophobicContact CG2-CG1 3.27Å; A118-V125 HydrophobicContact CB-CG2 4.24Å; V125-L158 HydrophobicContact CG1-CD1 4.08Å; V125-L158 HydrophobicContact CG2-CD1 4.09Å
126	Y	95.6	Very high	93	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.8	-177.3	-57	-73.6	0	0	0	111.7	P104 V105 V117 V119 N124 V131 D143 L144 L145	P104-Y126 HydrophobicContact CG-CD1 3.87Å; P104-Y126 HydrophobicContact CG-CE1 3.68Å; V105-Y126 HydrophobicContact CG2-CD1 4.02Å; V105-Y126 HydrophobicContact CG2-CE1 3.86Å; V117-Y126 PolarHBondContact N-O 3.21Å; V117-Y126 PolarHBondContact O-N 3.37Å; V117-Y126 VanDerWaalsContact O-O 3.09Å; V119-Y126 HydrophobicContact CG2-CD2 4.13Å; V119-Y126 HydrophobicContact CG2-CE2 3.93Å; N124-Y126 HydrophobicContact CB-CE2 3.7Å; N124-Y126 WeakPolarHBondContact CB-OH 3.44Å; Y126-V131 HydrophobicContact CD2-CG2 4.21Å; Y126-V131 HydrophobicContact CG-CG2 4.22Å; Y126-D143 WeakPolarHBondContact CE2-OD1 3.16Å; Y126-D143 PolarHBondContact OH-OD1 3.41Å; Y126-D143 PolarHBondContact OH-OD2 2.92Å; Y126-L144 HydrophobicContact CD1-CD1 4.33Å; Y126-L144 HydrophobicContact CE1-CB 4.01Å; Y126-L144 HydrophobicContact CE1-CD1 4.45Å; Y126-L145 HydrophobicContact CE1-CD1 4.05Å; Y126-L145 HydrophobicContact CE1-CG 3.98Å; Y126-L145 WeakPolarHBondContact OH-CB 3.46Å; Y126-L145 VanDerWaalsContact OH-CG 3.31Å; Y126-L145 WeakPolarHBondContact OH-CG 3.31Å; Y126-L145 PolarHBondContact OH-N 3.21Å
127	A	95.1	Very high	92.9	Very high	8 Å²	8	38.1 Å²	38.1	7%	0.066	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.9	160.4	0	0	0	0	0	109	C103 L106 F110 E129 A130 V131	C103-A127 HydrophobicContact CB-CB 3.98Å; C103-A127 PolarHBondContact SG-N 3.1Å; C103-A127 VanDerWaalsContact SG-N 3.42Å; L106-A127 HydrophobicContact CD1-CB 4.4Å; F110-A127 HydrophobicContact CE1-CB 4.1Å; A127-E129 PolarHBondContact O-N 3.34Å; A127-A130 WeakPolarHBondContact O-CB 3.45Å; A127-A130 PolarHBondContact O-N 3.48Å; A127-V131 PolarHBondContact O-N 2.91Å
128	Y	94.2	Very high	92.6	Very high	71 Å²	71	41.1 Å²	41.1	28%	0.278	21%	0.207	S	C	.	.	H	α-helix	trans	-55.2	-36.8	178.5	178.8	-107.1	0	0	0	112.6	H115 V117 A130 V131 E132 I136	H115-Y128 AromaticContact CE1-CD1 3.47Å; H115-Y128 VanDerWaalsContact CE1-CD1 3.47Å; H115-Y128 WeakPolarHBondContact CE1-CD1 3.44Å; H115-Y128 AromaticContact CE1-CD2 3.38Å; H115-Y128 WeakPolarHBondContact CE1-CD2 3.43Å; H115-Y128 AromaticContact CE1-CE1 3.94Å; H115-Y128 AromaticContact CE1-CE2 3.85Å; H115-Y128 AromaticContact CE1-CG 3.14Å; H115-Y128 VanDerWaalsContact CG-CB 3.45Å; H115-Y128 AromaticContact CG-CG 3.92Å; H115-Y128 WeakPolarHBondContact ND1-CB 2.97Å; H115-Y128 AromaticContact ND1-CD1 3.26Å; H115-Y128 VanDerWaalsContact ND1-CD1 3.26Å; H115-Y128 WeakPolarHBondContact ND1-CD1 3.42Å; H115-Y128 AromaticContact ND1-CD2 3.92Å; H115-Y128 AromaticContact ND1-CG 3.18Å; H115-Y128 AromaticContact NE2-CD2 3.85Å; H115-Y128 AromaticContact NE2-CG 3.82Å; H115-Y128 PolarHBondContact O-N 2.92Å; V117-Y128 HydrophobicContact CG2-CD2 3.78Å; V117-Y128 HydrophobicContact CG2-CG 4.31Å; Y128-A130 VanDerWaalsContact C-N 3.25Å; Y128-A130 PolarHBondContact O-N 2.8Å; Y128-V131 PolarHBondContact O-N 3.43Å; Y128-V131 VanDerWaalsContact O-N 3.15Å; Y128-E132 HydrophobicContact CD1-CB 4.33Å; Y128-E132 HydrophobicContact CE1-CB 4.04Å; Y128-E132 HydrophobicContact CE1-CG 4.23Å; Y128-E132 WeakPolarHBondContact CE1-OE2 3.27Å; Y128-E132 WeakPolarHBondContact O-CB 3.29Å; Y128-E132 PolarHBondContact O-N 3.26Å; Y128-I136 HydrophobicContact CE2-CD1 4.29Å
129	E	93.5	Very high	92.3	Very high	104 Å²	104	49.5 Å²	49.5	49%	0.486	24%	0.243	S	C	.	.	H	α-helix	trans	-54.8	-40.9	177.2	-177	178.3	-177.4	0	0	112.4	L106 A127 E132 Q133	L106-E129 HydrophobicContact CD1-CB 4.13Å; L106-E129 HydrophobicContact CD1-CG 4.18Å; A127-E129 PolarHBondContact O-N 3.34Å; E129-E132 PolarHBondContact O-N 3.5Å; E129-Q133 HydrophobicContact CG-CG 4.5Å; E129-Q133 VanDerWaalsContact CG-NE2 3.35Å; E129-Q133 WeakPolarHBondContact O-CB 3.47Å; E129-Q133 VanDerWaalsContact O-CG 3.31Å; E129-Q133 WeakPolarHBondContact O-CG 3.34Å; E129-Q133 PolarHBondContact O-N 3.44Å; E129-Q133 PolarHBondContact OE1-NE2 3.07Å; E129-Q133 VanDerWaalsContact OE1-NE2 3.12Å
130	A	91.8	Very high	91.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-47.2	178.8	0	0	0	0	0	110.8	L106 A127 Y128 L134 L144	L106-A130 HydrophobicContact CD1-CB 3.67Å; L106-A130 HydrophobicContact CG-CB 3.79Å; A127-A130 WeakPolarHBondContact O-CB 3.45Å; A127-A130 PolarHBondContact O-N 3.48Å; Y128-A130 VanDerWaalsContact C-N 3.25Å; Y128-A130 PolarHBondContact O-N 2.8Å; A130-L134 VanDerWaalsContact O-CB 3.3Å; A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 PolarHBondContact O-N 2.82Å; A130-L144 HydrophobicContact CB-CD1 4.26Å
131	V	91.9	Very high	91.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-37.8	179.7	-177.7	0	0	0	0	110.8	Y126 A127 Y128 N135 I136 I155	Y126-V131 HydrophobicContact CD2-CG2 4.21Å; Y126-V131 HydrophobicContact CG-CG2 4.22Å; A127-V131 PolarHBondContact O-N 2.91Å; Y128-V131 PolarHBondContact O-N 3.43Å; Y128-V131 VanDerWaalsContact O-N 3.15Å; V131-N135 HydrophobicContact CG1-CB 4.26Å; V131-N135 WeakPolarHBondContact O-CA 3.47Å; V131-N135 VanDerWaalsContact O-CB 3.31Å; V131-N135 WeakPolarHBondContact O-CB 3.36Å; V131-N135 PolarHBondContact O-N 2.91Å; V131-I136 PolarHBondContact O-N 3.46Å; V131-I155 HydrophobicContact CG1-CD1 4.07Å
132	E	92.8	Very high	91.8	Very high	60 Å²	60	54 Å²	54	28%	0.28	26%	0.26	S	S	.	.	I	π-helix	trans	-64.7	-48.4	178.4	-171.4	-168.3	159.1	0	0	111.5	Y128 E129 K137	Y128-E132 HydrophobicContact CD1-CB 4.33Å; Y128-E132 HydrophobicContact CE1-CB 4.04Å; Y128-E132 HydrophobicContact CE1-CG 4.23Å; Y128-E132 WeakPolarHBondContact CE1-OE2 3.27Å; Y128-E132 WeakPolarHBondContact O-CB 3.29Å; Y128-E132 PolarHBondContact O-N 3.26Å; E129-E132 PolarHBondContact O-N 3.5Å; E132-K137 WeakPolarHBondContact O-CB 3.2Å; E132-K137 WeakPolarHBondContact O-CG 3.5Å; E132-K137 PolarHBondContact O-N 3.14Å; E132-K137 WeakPolarHBondContact OE1-CE 3.4Å; E132-K137 IonicContact OE1-NZ 2.76Å; E132-K137 PolarHBondContact OE1-NZ 3.32Å
133	Q	91.6	Very high	91.8	Very high	88 Å²	88	53.2 Å²	53.2	41%	0.411	26%	0.255	S	S	.	.	I	π-helix	trans	-72.3	-48.2	-177	-68.5	177.5	10.3	0	0	112.2	E129	E129-Q133 HydrophobicContact CG-CG 4.5Å; E129-Q133 VanDerWaalsContact CG-NE2 3.35Å; E129-Q133 WeakPolarHBondContact O-CB 3.47Å; E129-Q133 VanDerWaalsContact O-CG 3.31Å; E129-Q133 WeakPolarHBondContact O-CG 3.34Å; E129-Q133 PolarHBondContact O-N 3.44Å; E129-Q133 PolarHBondContact OE1-NE2 3.07Å; E129-Q133 VanDerWaalsContact OE1-NE2 3.12Å
134	L	89.5	Confident	91.6	Very high	76 Å²	76	55.4 Å²	55.4	40%	0.398	27%	0.266	S	S	.	.	I	π-helix	trans	-89.1	-29.2	-169.8	-60.8	174.6	0	0	0	113.3	V105 A130 A138 L144	V105-L134 HydrophobicContact CG1-CD1 3.73Å; A130-L134 VanDerWaalsContact O-CB 3.3Å; A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 PolarHBondContact O-N 2.82Å; L134-A138 VanDerWaalsContact O-CB 3.26Å; L134-A138 WeakPolarHBondContact O-CB 3.45Å; L134-L144 HydrophobicContact CB-CD2 3.76Å; L134-L144 HydrophobicContact CD1-CD1 4.23Å; L134-L144 HydrophobicContact CD1-CD2 3.94Å
135	N	90.4	Very high	91.4	Very high	2 Å²	2	59 Å²	59	1%	0.011	29%	0.285	C	S	.	.	I	π-helix	trans	-108.6	-52.8	-176.2	-67.2	1.3	0	0	0	112.3	V131 K139 N140 R142 L144 F150	V131-N135 HydrophobicContact CG1-CB 4.26Å; V131-N135 WeakPolarHBondContact O-CA 3.47Å; V131-N135 VanDerWaalsContact O-CB 3.31Å; V131-N135 WeakPolarHBondContact O-CB 3.36Å; V131-N135 PolarHBondContact O-N 2.91Å; N135-K139 CarbonylContact O-C 3.41Å; N135-K139 WeakPolarHBondContact O-CA 3.48Å; N135-K139 PolarHBondContact O-N 2.95Å; N135-N140 WeakPolarHBondContact CA-O 3.46Å; N135-N140 WeakPolarHBondContact CB-O 3.39Å; N135-N140 PolarHBondContact O-N 3.01Å; N135-N140 PolarHBondContact OD1-O 3.34Å; N135-R142 PolarHBondContact ND2-O 2.93Å; N135-L144 WeakPolarHBondContact OD1-CD2 3.46Å; N135-F150 HydrophobicContact CB-CZ 4.39Å; N135-F150 WeakPolarHBondContact ND2-CE1 3.37Å; N135-F150 VanDerWaalsContact ND2-CZ 3.32Å; N135-F150 WeakPolarHBondContact ND2-CZ 3.24Å
136	I	91.3	Very high	91.1	Very high	42 Å²	42	62.1 Å²	62.1	22%	0.215	30%	0.304	C	S	.	.	I	π-helix	trans	-71.6	-51.6	-174.6	-58.2	177.5	0	0	0	111.5	Y128 V131 K139 I155	Y128-I136 HydrophobicContact CE2-CD1 4.29Å; V131-I136 PolarHBondContact O-N 3.46Å; I136-K139 PolarHBondContact O-N 2.85Å; I136-I155 HydrophobicContact CD1-CD1 4.42Å; I136-I155 HydrophobicContact CG1-CD1 4.47Å
137	K	91.8	Very high	90.8	Very high	133 Å²	133	66.5 Å²	66.5	58%	0.578	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-37.9	-178.6	-73.9	175.9	-176.9	165.1	0	112.3	E132 K139	E132-K137 WeakPolarHBondContact O-CB 3.2Å; E132-K137 WeakPolarHBondContact O-CG 3.5Å; E132-K137 PolarHBondContact O-N 3.14Å; E132-K137 WeakPolarHBondContact OE1-CE 3.4Å; E132-K137 IonicContact OE1-NZ 2.76Å; E132-K137 PolarHBondContact OE1-NZ 3.32Å; K137-K139 VanDerWaalsContact C-N 3.28Å; K137-K139 PolarHBondContact O-N 3.38Å
138	A	88.6	Confident	90.6	Very high	65 Å²	65	70.6 Å²	70.6	54%	0.537	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.5	177.1	0	0	0	0	0	113.9	L134 N140	L134-A138 VanDerWaalsContact O-CB 3.26Å; L134-A138 WeakPolarHBondContact O-CB 3.45Å; A138-N140 HydrophobicContact CB-CB 4.38Å; A138-N140 PolarHBondContact O-N 2.8Å
139	K	88.6	Confident	90.5	Very high	176 Å²	176	72 Å²	72	77%	0.765	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	32.2	-172.8	-58.9	179.3	-180	176	0	113.2	N135 I136 K137	N135-K139 CarbonylContact O-C 3.41Å; N135-K139 WeakPolarHBondContact O-CA 3.48Å; N135-K139 PolarHBondContact O-N 2.95Å; I136-K139 PolarHBondContact O-N 2.85Å; K137-K139 VanDerWaalsContact C-N 3.28Å; K137-K139 PolarHBondContact O-N 3.38Å
140	N	87.8	Confident	90.5	Very high	79 Å²	79	67.9 Å²	67.9	42%	0.422	34%	0.343	S	S	.	.			trans	-107.6	99.3	178.7	-175	18.6	0	0	0	109.6	N135 A138 R142	N135-N140 WeakPolarHBondContact CA-O 3.46Å; N135-N140 WeakPolarHBondContact CB-O 3.39Å; N135-N140 PolarHBondContact O-N 3.01Å; N135-N140 PolarHBondContact OD1-O 3.34Å; A138-N140 HydrophobicContact CB-CB 4.38Å; A138-N140 PolarHBondContact O-N 2.8Å; N140-R142 VanDerWaalsContact C-N 3.35Å; N140-R142 PolarHBondContact O-N 2.79Å
141	F	89.6	Confident	90.6	Very high	67 Å²	67	70.1 Å²	70.1	29%	0.294	36%	0.359	S	S	.	.			trans	-96.3	63.1	-177.5	-60.4	-83	0	0	0	111.7	F150 R152	F141-F150 WeakPolarHBondContact CB-O 3.23Å; F141-F150 HydrophobicContact CD1-CE2 4.15Å; F141-F150 PolarHBondContact O-N 3.29Å; F141-R152 HydrophobicContact CE1-CB 4.02Å; F141-R152 HydrophobicContact CE1-CG 4.48Å; F141-R152 HydrophobicContact CZ-CB 4.41Å
142	R	90.8	Very high	90.5	Very high	118 Å²	118	78.6 Å²	78.6	45%	0.445	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-123.1	144	171	-63.4	-165.4	179.9	-166.3	-2.8	110	N135 N140 L144 D147 E148 F150	N135-R142 PolarHBondContact ND2-O 2.93Å; N140-R142 VanDerWaalsContact C-N 3.35Å; N140-R142 PolarHBondContact O-N 2.79Å; R142-L144 PolarHBondContact O-N 3.3Å; R142-D147 WeakPolarHBondContact CD-OD1 3.39Å; R142-D147 IonicContact NH1-OD1 3.12Å; R142-D147 PolarHBondContact NH1-OD1 3.45Å; R142-D147 IonicContact NH1-OD2 2.93Å; R142-D147 PolarHBondContact NH1-OD2 2.78Å; R142-E148 CarbonylContact C-O 3.53Å; R142-E148 WeakPolarHBondContact CA-O 3.31Å; R142-F150 WeakPolarHBondContact O-CE1 3.36Å
143	D	90.8	Very high	90.3	Very high	4 Å²	4	83.6 Å²	83.6	2%	0.021	41%	0.414	C	S	.	.			trans	-63.6	134.6	-177.8	-171.8	20.1	0	0	0	110.7	T122 N124 Y126 L145 T146 D147 E148 F150	T122-D143 VanDerWaalsContact CB-OD2 3.25Å; T122-D143 WeakPolarHBondContact CB-OD2 3.09Å; T122-D143 HydrophobicContact CG2-CB 4.03Å; T122-D143 WeakPolarHBondContact CG2-OD2 3.47Å; T122-D143 PolarHBondContact OG1-OD2 3.11Å; N124-D143 PolarHBondContact ND2-OD2 3.02Å; Y126-D143 WeakPolarHBondContact CE2-OD1 3.16Å; Y126-D143 PolarHBondContact OH-OD1 3.41Å; Y126-D143 PolarHBondContact OH-OD2 2.92Å; D143-L145 PolarHBondContact O-N 3.39Å; D143-T146 WeakPolarHBondContact CB-OG1 3.46Å; D143-T146 PolarHBondContact OD2-OG1 2.99Å; D143-D147 WeakPolarHBondContact O-CA 3.28Å; D143-D147 PolarHBondContact O-N 3.42Å; D143-E148 HydrophobicContact CB-CB 4.45Å; D143-E148 PolarHBondContact N-O 3.28Å; D143-F150 HydrophobicContact CB-CD1 4.39Å
144	L	89	Confident	90.3	Very high	48 Å²	48	80.7 Å²	80.7	25%	0.251	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.4	-170.1	-65	173.2	0	0	0	113.6	V105 Y126 A130 L134 N135 R142	V105-L144 HydrophobicContact CG2-CB 3.74Å; V105-L144 HydrophobicContact CG2-CD1 4.01Å; V105-L144 HydrophobicContact CG2-CG 4.49Å; Y126-L144 HydrophobicContact CD1-CD1 4.33Å; Y126-L144 HydrophobicContact CE1-CB 4.01Å; Y126-L144 HydrophobicContact CE1-CD1 4.45Å; A130-L144 HydrophobicContact CB-CD1 4.26Å; L134-L144 HydrophobicContact CB-CD2 3.76Å; L134-L144 HydrophobicContact CD1-CD1 4.23Å; L134-L144 HydrophobicContact CD1-CD2 3.94Å; N135-L144 WeakPolarHBondContact OD1-CD2 3.46Å; R142-L144 PolarHBondContact O-N 3.3Å
145	L	89.7	Confident	90.5	Very high	95 Å²	95	78.6 Å²	78.6	50%	0.497	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-40.6	177.5	-70.9	175.7	0	0	0	113.7	P104 Y126 D143	P104-L145 HydrophobicContact CB-CD1 4.04Å; P104-L145 HydrophobicContact CB-CD2 4.19Å; P104-L145 HydrophobicContact CG-CD1 3.7Å; P104-L145 HydrophobicContact CG-CD2 4.45Å; P104-L145 HydrophobicContact CG-CG 4.32Å; Y126-L145 HydrophobicContact CE1-CD1 4.05Å; Y126-L145 HydrophobicContact CE1-CG 3.98Å; Y126-L145 WeakPolarHBondContact OH-CB 3.46Å; Y126-L145 VanDerWaalsContact OH-CG 3.31Å; Y126-L145 WeakPolarHBondContact OH-CG 3.31Å; Y126-L145 PolarHBondContact OH-N 3.21Å; D143-L145 PolarHBondContact O-N 3.39Å
146	T	89.2	Confident	90.7	Very high	67 Å²	67	78.7 Å²	78.7	41%	0.411	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-5.9	-168	60.1	0	0	0	0	113.7	T122 D143 E148	T122-T146 VanDerWaalsContact CG2-OG1 3.27Å; T122-T146 WeakPolarHBondContact CG2-OG1 3.49Å; D143-T146 WeakPolarHBondContact CB-OG1 3.46Å; D143-T146 PolarHBondContact OD2-OG1 2.99Å; T146-E148 PolarHBondContact O-N 3.23Å; T146-E148 VanDerWaalsContact O-N 3.14Å
147	D	88.3	Confident	90.8	Very high	92 Å²	92	78.6 Å²	78.6	49%	0.492	39%	0.393	S	S	.	.			trans	58.2	15.9	-175.7	-159.3	38.8	0	0	0	114.5	R142 D143	R142-D147 WeakPolarHBondContact CD-OD1 3.39Å; R142-D147 IonicContact NH1-OD1 3.12Å; R142-D147 PolarHBondContact NH1-OD1 3.45Å; R142-D147 IonicContact NH1-OD2 2.93Å; R142-D147 PolarHBondContact NH1-OD2 2.78Å; D143-D147 WeakPolarHBondContact O-CA 3.28Å; D143-D147 PolarHBondContact O-N 3.42Å
148	E	91.6	Very high	90.8	Very high	94 Å²	94	72.7 Å²	72.7	44%	0.439	37%	0.367	S	S	.	.			trans	-71.1	132.3	176.4	-70.7	-171.3	-176.7	0	0	111.1	T122 R142 D143 T146	T122-E148 HydrophobicContact CG2-CB 3.82Å; T122-E148 HydrophobicContact CG2-CG 4.08Å; T122-E148 WeakPolarHBondContact CG2-OE2 3.4Å; R142-E148 CarbonylContact C-O 3.53Å; R142-E148 WeakPolarHBondContact CA-O 3.31Å; D143-E148 HydrophobicContact CB-CB 4.45Å; D143-E148 PolarHBondContact N-O 3.28Å; T146-E148 PolarHBondContact O-N 3.23Å; T146-E148 VanDerWaalsContact O-N 3.14Å
149	P	92.9	Very high	90.8	Very high	101 Å²	101	70 Å²	70	66%	0.656	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-69.3	136.7	178.2	29.2	-34.1	0	0	0	110.8
150	F	93.6	Very high	90.8	Very high	17 Å²	17	63 Å²	63	8%	0.075	31%	0.314	C	S	.	.			trans	-139.2	169.6	175.8	72.3	-94.7	0	0	0	111.1	V119 T121 N135 F141 R142 D143 D154 I155	V119-F150 HydrophobicContact CG1-CB 3.92Å; V119-F150 HydrophobicContact CG1-CD1 3.81Å; V119-F150 HydrophobicContact CG1-CD2 4.02Å; V119-F150 HydrophobicContact CG1-CE1 4.3Å; V119-F150 HydrophobicContact CG1-CG 3.66Å; V119-F150 HydrophobicContact CG2-CE1 4.27Å; V119-F150 HydrophobicContact CG2-CZ 4.29Å; T121-F150 HydrophobicContact CG2-CB 4.12Å; N135-F150 HydrophobicContact CB-CZ 4.39Å; N135-F150 WeakPolarHBondContact ND2-CE1 3.37Å; N135-F150 VanDerWaalsContact ND2-CZ 3.32Å; N135-F150 WeakPolarHBondContact ND2-CZ 3.24Å; F141-F150 WeakPolarHBondContact CB-O 3.23Å; F141-F150 HydrophobicContact CD1-CE2 4.15Å; F141-F150 PolarHBondContact O-N 3.29Å; R142-F150 WeakPolarHBondContact O-CE1 3.36Å; D143-F150 HydrophobicContact CB-CD1 4.39Å; F150-D154 HydrophobicContact CB-CB 4.28Å; F150-D154 HydrophobicContact CD2-CB 4.31Å; F150-I155 HydrophobicContact CD2-CG1 4.32Å; F150-I155 HydrophobicContact CE2-CD1 3.99Å; F150-I155 HydrophobicContact CE2-CG1 3.67Å
151	S	92.7	Very high	90.7	Very high	48 Å²	48	61.6 Å²	61.6	34%	0.336	31%	0.31	S	S	.	.			trans	-107.5	162.8	178.5	78.1	0	0	0	0	112.2	Q153 D154	S151-Q153 PolarHBondContact O-N 2.52Å; S151-Q153 VanDerWaalsContact O-N 3.07Å; S151-Q153 PolarHBondContact OG-N 3.21Å; S151-D154 WeakPolarHBondContact CA-OD2 3.49Å; S151-D154 VanDerWaalsContact CB-OD2 3.28Å; S151-D154 WeakPolarHBondContact CB-OD2 3.15Å; S151-D154 PolarHBondContact N-OD2 3.34Å; S151-D154 WeakPolarHBondContact O-CB 3.46Å; S151-D154 PolarHBondContact O-N 2.65Å; S151-D154 VanDerWaalsContact OG-CG 3.25Å; S151-D154 PolarHBondContact OG-OD2 2.98Å
152	R	89.2	Confident	90.5	Very high	178 Å²	178	64.5 Å²	64.5	67%	0.672	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-57.4	-26.9	175.8	-172	175.6	179.4	-176.2	0.6	113.4	F141 D154 I155	F141-R152 HydrophobicContact CE1-CB 4.02Å; F141-R152 HydrophobicContact CE1-CG 4.48Å; F141-R152 HydrophobicContact CZ-CB 4.41Å; R152-D154 VanDerWaalsContact C-N 3.28Å; R152-I155 HydrophobicContact CG-CD1 4.46Å
153	Q	90.1	Very high	90.1	Very high	165 Å²	165	62.3 Å²	62.3	77%	0.771	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-76.9	-16.6	178.5	-62.2	178.4	4.1	0	0	112.9	S151 I155	S151-Q153 PolarHBondContact O-N 2.52Å; S151-Q153 VanDerWaalsContact O-N 3.07Å; S151-Q153 PolarHBondContact OG-N 3.21Å; Q153-I155 PolarHBondContact O-N 2.82Å
154	D	91.4	Very high	89.3	Confident	28 Å²	28	65.8 Å²	65.8	15%	0.15	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-83	-3.3	178.3	-62.6	-44.8	0	0	0	112.4	R120 F150 S151 R152 I156	R120-D154 HydrophobicContact CB-CB 3.84Å; R120-D154 VanDerWaalsContact CB-O 3.27Å; R120-D154 WeakPolarHBondContact CB-O 3.3Å; R120-D154 PolarHBondContact N-O 2.83Å; F150-D154 HydrophobicContact CB-CB 4.28Å; F150-D154 HydrophobicContact CD2-CB 4.31Å; S151-D154 WeakPolarHBondContact CA-OD2 3.49Å; S151-D154 VanDerWaalsContact CB-OD2 3.28Å; S151-D154 WeakPolarHBondContact CB-OD2 3.15Å; S151-D154 PolarHBondContact N-OD2 3.34Å; S151-D154 WeakPolarHBondContact O-CB 3.46Å; S151-D154 PolarHBondContact O-N 2.65Å; S151-D154 VanDerWaalsContact OG-CG 3.25Å; S151-D154 PolarHBondContact OG-OD2 2.98Å; R152-D154 VanDerWaalsContact C-N 3.28Å; D154-I156 PolarHBondContact O-N 3.05Å
155	I	93.3	Very high	88.8	Confident	31 Å²	31	68.7 Å²	68.7	16%	0.159	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	110.2	175.9	-57.7	-180	0	0	0	108.4	V117 V131 I136 F150 R152 Q153	V117-I155 HydrophobicContact CG1-CB 4.46Å; V117-I155 HydrophobicContact CG1-CG2 3.19Å; V131-I155 HydrophobicContact CG1-CD1 4.07Å; I136-I155 HydrophobicContact CD1-CD1 4.42Å; I136-I155 HydrophobicContact CG1-CD1 4.47Å; F150-I155 HydrophobicContact CD2-CG1 4.32Å; F150-I155 HydrophobicContact CE2-CD1 3.99Å; F150-I155 HydrophobicContact CE2-CG1 3.67Å; R152-I155 HydrophobicContact CG-CD1 4.46Å; Q153-I155 PolarHBondContact O-N 2.82Å
156	I	94.2	Very high	88.2	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.026	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.6	-177.2	-60.5	172.7	0	0	0	109.6	G58 I89 V117 A118 R120 D154 L158	G58-I156 VanDerWaalsContact CA-CG2 3.41Å; I89-I156 HydrophobicContact CD1-CD1 3.3Å; V117-I156 CarbonylContact C-O 3.58Å; V117-I156 WeakPolarHBondContact CA-O 3.49Å; V117-I156 WeakPolarHBondContact CG1-O 3.27Å; A118-I156 PolarHBondContact N-O 3.23Å; A118-I156 PolarHBondContact O-N 3.48Å; R120-I156 HydrophobicContact CB-CD1 3.81Å; R120-I156 HydrophobicContact CB-CG1 4.36Å; R120-I156 HydrophobicContact CG-CD1 4.17Å; D154-I156 PolarHBondContact O-N 3.05Å; I156-L158 HydrophobicContact CG2-CD2 4.24Å; I156-L158 PolarHBondContact O-N 2.98Å
157	T	93.1	Very high	87.7	Confident	40 Å²	40	64.7 Å²	64.7	25%	0.245	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	110.8	177.8	-50.1	0	0	0	0	111.7	H115 V117 D160 K166	H115-T157 VanDerWaalsContact NE2-CG2 3.3Å; H115-T157 WeakPolarHBondContact NE2-CG2 3.48Å; V117-T157 HydrophobicContact CG2-CG2 4.24Å; T157-D160 WeakPolarHBondContact CG2-OD1 3.4Å; T157-D160 WeakPolarHBondContact CG2-OD2 3.37Å; T157-K166 PolarHBondContact O-NZ 3.12Å
158	L	91.5	Very high	87.5	Confident	9 Å²	9	61 Å²	61	5%	0.047	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-36.3	179.7	-62.2	-174.6	0	0	0	112	C54 V60 L91 F93 I116 A118 V125 I156 F167	C54-L158 HydrophobicContact CB-CD2 3.9Å; V60-L158 HydrophobicContact CG2-CD2 4.05Å; L91-L158 HydrophobicContact CD1-CD1 3.64Å; L91-L158 HydrophobicContact CD1-CD2 4.01Å; L91-L158 HydrophobicContact CD2-CD1 4.14Å; L91-L158 HydrophobicContact CD2-CD2 4.43Å; F93-L158 HydrophobicContact CZ-CD1 4.18Å; I116-L158 HydrophobicContact CB-CB 4.46Å; I116-L158 HydrophobicContact CG2-CB 4.34Å; I116-L158 HydrophobicContact CG2-CD1 4.24Å; I116-L158 PolarHBondContact O-N 3.41Å; A118-L158 HydrophobicContact CB-CD1 3.92Å; A118-L158 HydrophobicContact CB-CD2 4.34Å; A118-L158 HydrophobicContact CB-CG 4.05Å; V125-L158 HydrophobicContact CG1-CD1 4.08Å; V125-L158 HydrophobicContact CG2-CD1 4.09Å; I156-L158 HydrophobicContact CG2-CD2 4.24Å; I156-L158 PolarHBondContact O-N 2.98Å; L158-F167 VanDerWaalsContact O-CE2 3.27Å; L158-F167 WeakPolarHBondContact O-CE2 3.24Å; L158-F167 WeakPolarHBondContact O-CZ 3.32Å
159	Q	90	Very high	87.2	Confident	8 Å²	8	57.3 Å²	57.3	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	122.3	-178.5	-178.9	-175.4	5.2	0	0	110.6	T111 N112 T114 H115 I116	T111-Q159 PolarHBondContact O-NE2 2.62Å; N112-Q159 PolarHBondContact O-NE2 3.26Å; T114-Q159 PolarHBondContact O-OE1 2.85Å; H115-Q159 VanDerWaalsContact CA-O 3.31Å; H115-Q159 WeakPolarHBondContact CA-O 3.08Å; H115-Q159 PolarHBondContact CD2-O 2.81Å; I116-Q159 HydrophobicContact CB-CB 4.1Å; I116-Q159 HydrophobicContact CG1-CB 4.29Å; I116-Q159 PolarHBondContact N-O 2.92Å; I116-Q159 PolarHBondContact O-N 3.31Å; I116-Q159 VanDerWaalsContact O-N 3.09Å
160	D	88.4	Confident	86.8	Confident	29 Å²	29	53.8 Å²	53.8	16%	0.155	28%	0.279	C	S	.	.			trans	-110	127.7	172.4	-76.7	-49.1	0	0	0	110.1	H115 T157 T162 N163	H115-D160 IonicContact CD2-OD1 2.76Å; H115-D160 PolarHBondContact CD2-OD1 3.28Å; H115-D160 IonicContact CE1-OD1 2.76Å; H115-D160 IonicContact CG-OD1 3.98Å; H115-D160 IonicContact NE2-OD1 2.99Å; H115-D160 PolarHBondContact NE2-OD1 3.45Å; T157-D160 WeakPolarHBondContact CG2-OD1 3.4Å; T157-D160 WeakPolarHBondContact CG2-OD2 3.37Å; D160-T162 PolarHBondContact O-N 3.31Å; D160-N163 HydrophobicContact CB-CB 3.91Å
161	P	85	Confident	86.3	Confident	50 Å²	50	56.1 Å²	56.1	33%	0.325	29%	0.292	S	S	.	.	S	Bend	trans	-71.5	-21.3	171.7	27.2	-32.1	0	0	0	112.7	N113 H115	N113-P161 WeakPolarHBondContact O-CB 3.5Å; H115-P161 HydrophobicContact CB-CG 4.35Å
162	T	86.3	Confident	86.1	Confident	127 Å²	127	54 Å²	54	78%	0.779	28%	0.277	S	S	*	.	S	Bend	trans	-85.2	-28.1	-179.5	51.9	0	0	0	0	113.1	D160	D160-T162 PolarHBondContact O-N 3.31Å
163	N	82.8	Confident	85.9	Confident	72 Å²	72	49.7 Å²	49.7	39%	0.385	26%	0.261	S	S	.	.			trans	-103.6	91.5	179.7	-170.6	-15.2	0	0	0	110.7	D160	D160-N163 HydrophobicContact CB-CB 3.91Å
164	L	72.8	Confident	85.7	Confident	78 Å²	78	42.6 Å²	42.6	41%	0.408	23%	0.228	S	C	.	.			trans	-81.6	-21.5	-174	-64.9	173.2	0	0	0	113.6	F34	F34-L164 HydrophobicContact CE2-CB 4.23Å; F34-L164 WeakPolarHBondContact CE2-O 3.48Å; F34-L164 HydrophobicContact CZ-CB 3.97Å
165	D	78.5	Confident	85.5	Confident	109 Å²	109	43.8 Å²	43.8	58%	0.583	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-77.6	-29.1	-172.4	-71.8	-35.2	0	0	0	113.5	F167 N168	D165-F167 PolarHBondContact O-N 2.8Å; D165-N168 PolarHBondContact O-N 3.32Å
166	K	77.7	Confident	85	Confident	61 Å²	61	47.8 Å²	47.8	27%	0.265	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31.1	-177.1	-170.9	179.1	179.3	-174.7	0	113.4	D57 T157	D57-K166 VanDerWaalsContact O-CE 3.24Å; D57-K166 WeakPolarHBondContact O-CE 3.43Å; D57-K166 PolarHBondContact O-NZ 2.92Å; T157-K166 PolarHBondContact O-NZ 3.12Å
167	F	78.1	Confident	84.5	Confident	16 Å²	16	51.3 Å²	51.3	7%	0.07	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-115.2	19.8	-176.4	-64	-72.1	0	0	0	113.7	L37 L158 D165 V169	L37-F167 HydrophobicContact CB-CB 4.49Å; L37-F167 PolarHBondContact N-O 3.33Å; L158-F167 VanDerWaalsContact O-CE2 3.27Å; L158-F167 WeakPolarHBondContact O-CE2 3.24Å; L158-F167 WeakPolarHBondContact O-CZ 3.32Å; D165-F167 PolarHBondContact O-N 2.8Å; F167-V169 PolarHBondContact O-N 3.38Å
168	N	85.1	Confident	83.9	Confident	16 Å²	16	55.5 Å²	55.5	9%	0.086	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-75	114.4	172.2	-173.2	-7.3	0	0	0	109.4	F34 D165 S170 N171	F34-N168 HydrophobicContact CD2-CB 4.31Å; F34-N168 HydrophobicContact CE2-CB 4.11Å; D165-N168 PolarHBondContact O-N 3.32Å; N168-S170 PolarHBondContact O-N 3.04Å; N168-S170 VanDerWaalsContact O-N 3.16Å; N168-S170 PolarHBondContact OD1-N 2.81Å; N168-N171 HydrophobicContact CB-CB 4.32Å; N168-N171 WeakPolarHBondContact O-CB 3.47Å; N168-N171 PolarHBondContact O-N 3.21Å
169	V	84.4	Confident	83.4	Confident	16 Å²	16	56.8 Å²	56.8	10%	0.097	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-57.3	-35.3	-175.6	176.2	0	0	0	0	111.7	R35 L37 L46 F167 N171 F172	R35-V169 WeakPolarHBondContact O-CG2 3.11Å; R35-V169 PolarHBondContact O-N 2.88Å; L37-V169 HydrophobicContact CB-CG2 4.03Å; L37-V169 HydrophobicContact CD1-CG2 4.22Å; L46-V169 HydrophobicContact CD1-CG1 3.84Å; L46-V169 HydrophobicContact CD2-CG1 3.98Å; L46-V169 HydrophobicContact CD2-CG2 4.27Å; F167-V169 PolarHBondContact O-N 3.38Å; V169-N171 PolarHBondContact O-N 3.25Å; V169-F172 HydrophobicContact CB-CD2 4.49Å; V169-F172 HydrophobicContact CB-CE2 4.39Å; V169-F172 HydrophobicContact CG1-CD2 4.39Å; V169-F172 HydrophobicContact CG2-CE2 4.19Å; V169-F172 PolarHBondContact O-N 2.75Å
170	S	83.9	Confident	82.7	Confident	27 Å²	27	63.6 Å²	63.6	19%	0.189	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-67.9	-20.7	179.9	-54.3	0	0	0	0	113.4	T32 N168 K176	T32-S170 WeakPolarHBondContact OG1-CB 3.49Å; T32-S170 PolarHBondContact OG1-OG 3.17Å; N168-S170 PolarHBondContact O-N 3.04Å; N168-S170 VanDerWaalsContact O-N 3.16Å; N168-S170 PolarHBondContact OD1-N 2.81Å; S170-K176 WeakPolarHBondContact O-CE 3.42Å
171	N	84.6	Confident	81.9	Confident	65 Å²	65	64.7 Å²	64.7	35%	0.348	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-85.5	-14.7	179.8	-80	-25	0	0	0	113.9	N168 V169 Y173 K176	N168-N171 HydrophobicContact CB-CB 4.32Å; N168-N171 WeakPolarHBondContact O-CB 3.47Å; N168-N171 PolarHBondContact O-N 3.21Å; V169-N171 PolarHBondContact O-N 3.25Å; N171-Y173 PolarHBondContact O-N 3.38Å; N171-K176 PolarHBondContact O-NZ 3.25Å; N171-K176 PolarHBondContact OD1-NZ 3.23Å; N171-K176 VanDerWaalsContact OD1-NZ 3.13Å
172	F	87.3	Confident	81	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.018	33%	0.33	C	S	.	.			trans	-63.7	134.1	-177	-62.3	-24.2	0	0	0	112.3	L37 L46 V169 H174 V175 K176	L37-F172 HydrophobicContact CD2-CE2 4.27Å; L37-F172 HydrophobicContact CD2-CZ 4.3Å; L46-F172 HydrophobicContact CD2-CD2 4.35Å; L46-F172 HydrophobicContact CD2-CE2 4.11Å; V169-F172 HydrophobicContact CB-CD2 4.49Å; V169-F172 HydrophobicContact CB-CE2 4.39Å; V169-F172 HydrophobicContact CG1-CD2 4.39Å; V169-F172 HydrophobicContact CG2-CE2 4.19Å; V169-F172 PolarHBondContact O-N 2.75Å; F172-H174 VanDerWaalsContact C-N 3.35Å; F172-H174 AromaticContact CD2-CE1 3.77Å; F172-H174 PolarHBondContact O-N 3.28Å; F172-V175 HydrophobicContact CB-CB 4.37Å; F172-V175 HydrophobicContact CB-CG2 4Å; F172-V175 PolarHBondContact O-N 3.09Å; F172-V175 VanDerWaalsContact O-N 3.08Å; F172-K176 PolarHBondContact O-N 2.72Å
173	Y	86	Confident	80.1	Confident	88 Å²	88	63.3 Å²	63.3	35%	0.345	32%	0.318	S	S	.	.	H	α-helix	trans	-57	-43.8	-176	-177.1	-106.2	0	0	0	113	P77 S78 G80 N171 V175 K176 N177 M179	P77-Y173 PolarHBondContact O-N 3.18Å; S78-Y173 WeakPolarHBondContact O-CB 3.49Å; S78-Y173 PolarHBondContact O-N 3.04Å; G80-Y173 VanDerWaalsContact CA-CD1 3.42Å; N171-Y173 PolarHBondContact O-N 3.38Å; Y173-V175 VanDerWaalsContact C-N 3.31Å; Y173-V175 PolarHBondContact O-N 2.87Å; Y173-K176 PolarHBondContact O-N 3.4Å; Y173-N177 WeakPolarHBondContact CD2-ND2 3.26Å; Y173-N177 WeakPolarHBondContact CE2-ND2 3.49Å; Y173-N177 WeakPolarHBondContact O-CB 3.36Å; Y173-N177 PolarHBondContact O-N 3.01Å; Y173-N177 PolarHBondContact OH-ND2 2.75Å; Y173-M179 HydrophobicContact CD1-CE 3.25Å; Y173-M179 HydrophobicContact CE1-CE 3.21Å; Y173-M179 HydrophobicContact CE1-SD 4.19Å; Y173-M179 HydrophobicContact CG-CE 4.36Å
174	H	85.6	Confident	79.4	Confident	15 Å²	15	63.9 Å²	63.9	7%	0.069	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-32.8	177.5	71	-76.9	0	0	0	113.2	S43 W69 P77 F172 N178 M179	S43-H174 PolarHBondContact O-CE1 3.39Å; W69-H174 HydrophobicContact CH2-CB 3.42Å; W69-H174 VanDerWaalsContact CH2-CB 3.42Å; W69-H174 HydrophobicContact CZ2-CB 3.95Å; W69-H174 HydrophobicContact CZ3-CB 4.12Å; P77-H174 HydrophobicContact CB-CB 4.4Å; P77-H174 PolarHBondContact O-N 3.16Å; P77-H174 PolarHBondContact O-ND1 3.43Å; F172-H174 VanDerWaalsContact C-N 3.35Å; F172-H174 AromaticContact CD2-CE1 3.77Å; F172-H174 PolarHBondContact O-N 3.28Å; H174-N178 PolarHBondContact O-N 3.39Å; H174-N178 VanDerWaalsContact O-N 3.16Å; H174-M179 HydrophobicContact CB-CB 4.39Å; H174-M179 HydrophobicContact CB-CE 4.32Å; H174-M179 PolarHBondContact O-N 3.42Å
175	V	86.1	Confident	79	Confident	54 Å²	54	65.2 Å²	65.2	33%	0.327	33%	0.333	S	S	.	.	H	α-helix	trans	-72.3	-47.5	176.4	-179.4	0	0	0	0	110.5	F172 Y173 N177 N178	F172-V175 HydrophobicContact CB-CB 4.37Å; F172-V175 HydrophobicContact CB-CG2 4Å; F172-V175 PolarHBondContact O-N 3.09Å; F172-V175 VanDerWaalsContact O-N 3.08Å; Y173-V175 VanDerWaalsContact C-N 3.31Å; Y173-V175 PolarHBondContact O-N 2.87Å; V175-N177 VanDerWaalsContact C-N 3.3Å; V175-N177 PolarHBondContact O-N 3.11Å; V175-N178 PolarHBondContact O-N 2.74Å
176	K	84.7	Confident	78.4	Confident	114 Å²	114	64.2 Å²	64.2	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-40.3	178.3	-77.1	178.4	170.3	160.7	0	112.6	S170 N171 F172 Y173	S170-K176 WeakPolarHBondContact O-CE 3.42Å; N171-K176 PolarHBondContact O-NZ 3.25Å; N171-K176 PolarHBondContact OD1-NZ 3.23Å; N171-K176 VanDerWaalsContact OD1-NZ 3.13Å; F172-K176 PolarHBondContact O-N 2.72Å; Y173-K176 PolarHBondContact O-N 3.4Å
177	N	82.3	Confident	77.9	Confident	80 Å²	80	65.7 Å²	65.7	43%	0.428	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.7	-176.5	-65.2	-19.7	0	0	0	113.6	Y173 V175 M179	Y173-N177 WeakPolarHBondContact CD2-ND2 3.26Å; Y173-N177 WeakPolarHBondContact CE2-ND2 3.49Å; Y173-N177 WeakPolarHBondContact O-CB 3.36Å; Y173-N177 PolarHBondContact O-N 3.01Å; Y173-N177 PolarHBondContact OH-ND2 2.75Å; V175-N177 VanDerWaalsContact C-N 3.3Å; V175-N177 PolarHBondContact O-N 3.11Å; N177-M179 HydrophobicContact CB-CE 4.34Å; N177-M179 HydrophobicContact CB-CG 3.78Å; N177-M179 HydrophobicContact CB-SD 4.26Å; N177-M179 PolarHBondContact O-N 3.19Å; N177-M179 VanDerWaalsContact O-N 3.14Å
178	N	80.6	Confident	77.4	Confident	127 Å²	127	70.7 Å²	70.7	68%	0.679	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	36.6	-176.3	-70	-63.1	0	0	0	113.4	H174 V175	H174-N178 PolarHBondContact O-N 3.39Å; H174-N178 VanDerWaalsContact O-N 3.16Å; V175-N178 PolarHBondContact O-N 2.74Å
179	M	80.6	Confident	76.6	Confident	36 Å²	36	71.2 Å²	71.2	18%	0.177	36%	0.361	C	S	.	.			trans	-87.1	123.9	179.6	-64.1	-169.5	-55	0	0	109.4	W69 Y173 H174 N177	W69-M179 HydrophobicContact CH2-CB 3.66Å; W69-M179 HydrophobicContact CH2-CE 3.99Å; W69-M179 HydrophobicContact CZ2-CB 4.48Å; W69-M179 HydrophobicContact CZ2-CE 3.79Å; W69-M179 HydrophobicContact CZ3-CB 4.5Å; Y173-M179 HydrophobicContact CD1-CE 3.25Å; Y173-M179 HydrophobicContact CE1-CE 3.21Å; Y173-M179 HydrophobicContact CE1-SD 4.19Å; Y173-M179 HydrophobicContact CG-CE 4.36Å; H174-M179 HydrophobicContact CB-CB 4.39Å; H174-M179 HydrophobicContact CB-CE 4.32Å; H174-M179 PolarHBondContact O-N 3.42Å; N177-M179 HydrophobicContact CB-CE 4.34Å; N177-M179 HydrophobicContact CB-CG 3.78Å; N177-M179 HydrophobicContact CB-SD 4.26Å; N177-M179 PolarHBondContact O-N 3.19Å; N177-M179 VanDerWaalsContact O-N 3.14Å
180	K	75.9	Confident	75.9	Confident	152 Å²	152	73.8 Å²	73.8	66%	0.661	37%	0.371	S	S	*	.			trans	-133.5	140.7	178.6	-63	-175.1	179.8	-175.3	0	109.8	Y73 I182	Y73-K180 PolarHBondContact OH-O 3.14Å; K180-I182 PolarHBondContact O-N 2.71Å
181	I	71.4	Confident	75.1	Confident	52 Å²	52	79.9 Å²	79.9	27%	0.267	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-77.1	121	159.2	-55.8	167.3	0	0	0	104.6	P68 W69 Y73	P68-I181 HydrophobicContact CB-CD1 4.08Å; W69-I181 HydrophobicContact CB-CD1 3.62Å; W69-I181 HydrophobicContact CD2-CD1 4.25Å; W69-I181 HydrophobicContact CD2-CG1 4.43Å; W69-I181 HydrophobicContact CE3-CD1 3.66Å; W69-I181 HydrophobicContact CE3-CG1 3.58Å; W69-I181 HydrophobicContact CG-CD1 4.3Å; W69-I181 HydrophobicContact CZ3-CG1 4.16Å; W69-I181 VanDerWaalsContact N-CD1 3.3Å; Y73-I181 HydrophobicContact CE2-CG1 4.17Å
182	I	66.8	Low	74.4	Confident	49 Å²	49	81.5 Å²	81.5	25%	0.251	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-90.2	126.1	173.3	-52.5	164.5	0	0	0	103.8	K180 E186 E187	K180-I182 PolarHBondContact O-N 2.71Å; I182-E186 HydrophobicContact CG2-CB 3.67Å; I182-E187 HydrophobicContact CB-CG 3.86Å; I182-E187 HydrophobicContact CG2-CB 4.46Å; I182-E187 HydrophobicContact CG2-CG 3.41Å; I182-E187 VanDerWaalsContact CG2-CG 3.41Å
183	D	67.1	Low	73.5	Confident	99 Å²	99	85.7 Å²	85.7	53%	0.529	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-63.1	143.3	174.2	-74.8	-40.6	0	0	0	109.1	D185 E186 E187	D183-D185 PolarHBondContact O-N 3.32Å; D183-E186 WeakPolarHBondContact O-CB 3.35Å; D183-E186 PolarHBondContact O-N 2.85Å; D183-E187 PolarHBondContact O-N 2.94Å
184	P	67.3	Low	72.6	Confident	83 Å²	83	85 Å²	85	54%	0.539	44%	0.44	S	S	.	.	H	α-helix	trans	-56.9	-25.1	-179.1	22.6	-33.3	0	0	0	112.5	K188	P184-K188 WeakPolarHBondContact O-CG 3.44Å; P184-K188 PolarHBondContact O-N 2.98Å
185	D	64.8	Low	71.8	Confident	106 Å²	106	88.5 Å²	88.5	57%	0.567	45%	0.454	S	S	*	.	H	α-helix	trans	-81.3	-28.7	176.7	-60.3	-34.3	0	0	0	112.9	D183 K188 A189	D183-D185 PolarHBondContact O-N 3.32Å; D185-K188 IonicContact OD1-NZ 2.97Å; D185-K188 PolarHBondContact OD1-NZ 3.01Å; D185-A189 WeakPolarHBondContact O-CB 3.44Å; D185-A189 PolarHBondContact O-N 3.32Å
186	E	66.1	Low	71	Confident	88 Å²	88	93.5 Å²	93.5	41%	0.411	47%	0.468	S	S	.	.	H	α-helix	trans	-71.5	-33.5	168.6	-82.3	-165.4	170.7	0	0	112.2	I182 D183 A189 K190	I182-E186 HydrophobicContact CG2-CB 3.67Å; D183-E186 WeakPolarHBondContact O-CB 3.35Å; D183-E186 PolarHBondContact O-N 2.85Å; E186-A189 PolarHBondContact O-N 2.84Å; E186-K190 WeakPolarHBondContact O-CB 3.29Å; E186-K190 WeakPolarHBondContact O-CG 3.38Å; E186-K190 PolarHBondContact O-N 3.35Å
187	E	66.8	Low	70.2	Confident	92 Å²	92	92.2 Å²	92.2	43%	0.43	47%	0.466	S	S	.	.	H	α-helix	trans	-66	-40	173.8	-70.2	-169.7	164.4	0	0	111.7	I182 D183 K190 Q191	I182-E187 HydrophobicContact CB-CG 3.86Å; I182-E187 HydrophobicContact CG2-CB 4.46Å; I182-E187 HydrophobicContact CG2-CG 3.41Å; I182-E187 VanDerWaalsContact CG2-CG 3.41Å; D183-E187 PolarHBondContact O-N 2.94Å; E187-K190 PolarHBondContact O-N 3Å; E187-Q191 PolarHBondContact O-N 3.33Å
188	K	68.4	Low	69.2	Low	121 Å²	121	97.6 Å²	97.6	53%	0.526	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-46.1	171.8	-70.4	171.1	-162.6	156.5	0	111.2	P184 D185 K190 Q191	P184-K188 WeakPolarHBondContact O-CG 3.44Å; P184-K188 PolarHBondContact O-N 2.98Å; D185-K188 IonicContact OD1-NZ 2.97Å; D185-K188 PolarHBondContact OD1-NZ 3.01Å; K188-K190 VanDerWaalsContact C-N 3.28Å; K188-K190 PolarHBondContact O-N 2.99Å; K188-Q191 WeakPolarHBondContact O-CB 3.48Å; K188-Q191 PolarHBondContact O-N 3.2Å
189	A	68.1	Low	68.3	Low	28 Å²	28	99.4 Å²	99.4	23%	0.231	50%	0.495	C	S	.	.	H	α-helix	trans	-61.2	-38	178.7	0	0	0	0	0	111.6	D185 E186 Q191 D192 Y195	D185-A189 WeakPolarHBondContact O-CB 3.44Å; D185-A189 PolarHBondContact O-N 3.32Å; E186-A189 PolarHBondContact O-N 2.84Å; A189-Q191 PolarHBondContact O-N 3.04Å; A189-D192 WeakPolarHBondContact O-CB 3.12Å; A189-D192 PolarHBondContact O-N 3.05Å; A189-Y195 HydrophobicContact CB-CD2 3.43Å; A189-Y195 VanDerWaalsContact CB-CD2 3.43Å; A189-Y195 HydrophobicContact CB-CE2 3.64Å; A189-Y195 HydrophobicContact CB-CG 4.3Å; A189-Y195 WeakPolarHBondContact O-CB 3.35Å
190	K	69.1	Low	67.3	Low	70 Å²	70	100.6 Å²	100.6	30%	0.304	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-22.5	174.7	-79.4	172	-174.1	164.8	0	114.9	E186 E187 K188 D192 Y195	E186-K190 WeakPolarHBondContact O-CB 3.29Å; E186-K190 WeakPolarHBondContact O-CG 3.38Å; E186-K190 PolarHBondContact O-N 3.35Å; E187-K190 PolarHBondContact O-N 3Å; K188-K190 VanDerWaalsContact C-N 3.28Å; K188-K190 PolarHBondContact O-N 2.99Å; K190-D192 VanDerWaalsContact C-N 3.29Å; K190-Y195 HydrophobicContact CB-CD1 4.35Å; K190-Y195 HydrophobicContact CB-CE1 4.46Å; K190-Y195 HydrophobicContact CD-CE1 4.4Å; K190-Y195 HydrophobicContact CG-CD1 3.68Å; K190-Y195 HydrophobicContact CG-CE1 3.37Å
191	Q	66.9	Low	67.1	Low	155 Å²	155	99.2 Å²	99.2	72%	0.724	51%	0.505	S	S	*	.	H	α-helix	trans	-74.7	-25	174.5	-66.8	175.7	11.3	0	0	111.2	E187 K188 A189 P193	E187-Q191 PolarHBondContact O-N 3.33Å; K188-Q191 WeakPolarHBondContact O-CB 3.48Å; K188-Q191 PolarHBondContact O-N 3.2Å; A189-Q191 PolarHBondContact O-N 3.04Å; Q191-P193 WeakPolarHBondContact O-CD 3.3Å
192	D	70.6	Confident	67.2	Low	98 Å²	98	100 Å²	100	52%	0.524	52%	0.519	S	S	.	.	S	Bend	trans	-74.6	124.5	175.2	-64.2	-36.3	0	0	0	110.3	A189 K190 S194 Y195	A189-D192 WeakPolarHBondContact O-CB 3.12Å; A189-D192 PolarHBondContact O-N 3.05Å; K190-D192 VanDerWaalsContact C-N 3.29Å; D192-S194 PolarHBondContact O-N 2.99Å; D192-Y195 WeakPolarHBondContact O-CB 3.42Å; D192-Y195 PolarHBondContact O-N 2.78Å
193	P	68.6	Low	67.6	Low	92 Å²	92	105 Å²	105	60%	0.597	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-56.6	-22	175.5	-26.3	35.3	0	0	0	113.6	Q191 Y195	Q191-P193 WeakPolarHBondContact O-CD 3.3Å; P193-Y195 VanDerWaalsContact C-N 3.33Å; P193-Y195 PolarHBondContact O-N 3.32Å
194	S	67.6	Low	67.7	Low	73 Å²	73	103 Å²	103	51%	0.51	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-72.6	-19.3	178	-53.6	0	0	0	0	114.3	D192 Y196 L197	D192-S194 PolarHBondContact O-N 2.99Å; S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-Y196 PolarHBondContact O-N 2.76Å; S194-L197 WeakPolarHBondContact O-CB 3.5Å; S194-L197 PolarHBondContact O-N 2.93Å
195	Y	67.4	Low	68	Low	90 Å²	90	105.4 Å²	105.4	35%	0.353	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-68.1	-28.5	-173.9	-179.9	-98	0	0	0	114.3	A189 K190 D192 P193 L197	A189-Y195 HydrophobicContact CB-CD2 3.43Å; A189-Y195 VanDerWaalsContact CB-CD2 3.43Å; A189-Y195 HydrophobicContact CB-CE2 3.64Å; A189-Y195 HydrophobicContact CB-CG 4.3Å; A189-Y195 WeakPolarHBondContact O-CB 3.35Å; K190-Y195 HydrophobicContact CB-CD1 4.35Å; K190-Y195 HydrophobicContact CB-CE1 4.46Å; K190-Y195 HydrophobicContact CD-CE1 4.4Å; K190-Y195 HydrophobicContact CG-CD1 3.68Å; K190-Y195 HydrophobicContact CG-CE1 3.37Å; D192-Y195 WeakPolarHBondContact O-CB 3.42Å; D192-Y195 PolarHBondContact O-N 2.78Å; P193-Y195 VanDerWaalsContact C-N 3.33Å; P193-Y195 PolarHBondContact O-N 3.32Å; Y195-L197 VanDerWaalsContact C-N 3.33Å
196	Y	69.1	Low	68.6	Low	159 Å²	159	105.6 Å²	105.6	62%	0.624	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-85.7	-5.3	178.6	-62.6	-78.5	0	0	0	113.4	S194 K198	S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-Y196 PolarHBondContact O-N 2.76Å; Y196-K198 PolarHBondContact O-N 3.29Å; Y196-K198 VanDerWaalsContact O-N 3.1Å
197	L	68.4	Low	69.1	Low	86 Å²	86	104.7 Å²	104.7	45%	0.45	53%	0.529	S	S	.	.			trans	-82.9	85.5	178.3	-65.5	171.4	0	0	0	110	S194 Y195 N199 T200	S194-L197 WeakPolarHBondContact O-CB 3.5Å; S194-L197 PolarHBondContact O-N 2.93Å; Y195-L197 VanDerWaalsContact C-N 3.33Å; L197-N199 PolarHBondContact O-N 3.17Å; L197-T200 HydrophobicContact CD2-CG2 4.48Å
198	K	61.7	Low	69.4	Low	193 Å²	193	103.3 Å²	103.3	84%	0.839	53%	0.525	S	S	*	.	S	Bend	trans	-69	-27.7	-176.3	-73.7	-175	176.6	-178.7	0	114.9	Y196	Y196-K198 PolarHBondContact O-N 3.29Å; Y196-K198 VanDerWaalsContact O-N 3.1Å
199	N	61.3	Low	69.7	Low	165 Å²	165	101.8 Å²	101.8	88%	0.882	52%	0.519	S	S	*	.			trans	-151.1	106.9	175.1	-82.1	-21.6	0	0	0	108.8	L197	L197-N199 PolarHBondContact O-N 3.17Å
200	T	60.5	Low	70.2	Confident	61 Å²	61	106 Å²	106	37%	0.374	53%	0.534	S	S	.	.			trans	-115.2	140.2	168.5	4.5	0	0	0	0	108.6	L197 T204	L197-T200 HydrophobicContact CD2-CG2 4.48Å; T200-T204 WeakPolarHBondContact CG2-OG1 3.26Å
201	N	72.1	Confident	70.4	Confident	124 Å²	124	107.3 Å²	107.3	66%	0.663	54%	0.544	S	S	*	.			trans	-60	150	173.1	-86.1	-7.4	0	0	0	110.2	E203 T204 R205	N201-E203 VanDerWaalsContact C-N 3.26Å; N201-E203 PolarHBondContact O-N 3.25Å; N201-T204 PolarHBondContact N-OG1 3.4Å; N201-T204 PolarHBondContact O-N 3.1Å; N201-T204 VanDerWaalsContact O-N 3.09Å; N201-T204 PolarHBondContact O-OG1 3.15Å; N201-R205 PolarHBondContact O-N 3.09Å; N201-R205 VanDerWaalsContact O-N 3.13Å
202	A	73.4	Confident	70.4	Confident	69 Å²	69	106.8 Å²	106.8	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-56.5	-41.6	-177.2	0	0	0	0	0	112.4	T204 R205 E206	A202-T204 PolarHBondContact O-N 3.25Å; A202-R205 WeakPolarHBondContact O-CB 3.21Å; A202-R205 PolarHBondContact O-N 3.01Å; A202-E206 PolarHBondContact O-N 2.85Å; A202-E206 VanDerWaalsContact O-N 3.11Å
203	E	74.4	Confident	70.5	Confident	153 Å²	153	110 Å²	110	72%	0.715	55%	0.546	S	S	*	.	H	α-helix	trans	-63.8	-37.2	177.5	-62.8	177.4	169.6	0	0	113	N201 R205 E206 T207	N201-E203 VanDerWaalsContact C-N 3.26Å; N201-E203 PolarHBondContact O-N 3.25Å; E203-R205 VanDerWaalsContact C-N 3.31Å; E203-R205 PolarHBondContact O-N 3.38Å; E203-E206 PolarHBondContact O-N 3.33Å; E203-T207 WeakPolarHBondContact O-CG2 3.39Å; E203-T207 PolarHBondContact O-N 2.64Å; E203-T207 VanDerWaalsContact O-N 3.08Å; E203-T207 PolarHBondContact O-OG1 3.43Å
204	T	70	Confident	70.7	Confident	58 Å²	58	113 Å²	113	36%	0.356	55%	0.552	S	S	.	*	H	α-helix	trans	-74	-26.5	178	56	0	0	0	0	112	T200 N201 A202 T207 L208	T200-T204 WeakPolarHBondContact CG2-OG1 3.26Å; N201-T204 PolarHBondContact N-OG1 3.4Å; N201-T204 PolarHBondContact O-N 3.1Å; N201-T204 VanDerWaalsContact O-N 3.09Å; N201-T204 PolarHBondContact O-OG1 3.15Å; A202-T204 PolarHBondContact O-N 3.25Å; T204-T207 WeakPolarHBondContact CA-OG1 3.48Å; T204-T207 PolarHBondContact O-OG1 2.9Å; T204-T207 VanDerWaalsContact O-OG1 3.14Å; T204-L208 WeakPolarHBondContact O-CB 3.45Å; T204-L208 WeakPolarHBondContact O-CD1 3.39Å; T204-L208 WeakPolarHBondContact O-CG 3.28Å; T204-L208 PolarHBondContact O-N 3.08Å; T204-L208 VanDerWaalsContact O-N 3.15Å
205	R	73.1	Confident	70.5	Confident	133 Å²	133	116 Å²	116	50%	0.502	56%	0.556	S	S	.	*	H	α-helix	trans	-72.3	-41.1	174	-166.6	-179.3	68.9	108.8	6	111.8	N201 A202 E203 Q209	N201-R205 PolarHBondContact O-N 3.09Å; N201-R205 VanDerWaalsContact O-N 3.13Å; A202-R205 WeakPolarHBondContact O-CB 3.21Å; A202-R205 PolarHBondContact O-N 3.01Å; E203-R205 VanDerWaalsContact C-N 3.31Å; E203-R205 PolarHBondContact O-N 3.38Å; R205-Q209 VanDerWaalsContact O-CG 3.31Å; R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 3.26Å
206	E	77.6	Confident	70.1	Confident	109 Å²	109	119 Å²	119	51%	0.509	57%	0.571	S	S	.	*	H	α-helix	trans	-67.8	-46.1	178.1	-74.1	178.5	176.1	0	0	111.7	A202 E203 L208 Q209 E210	A202-E206 PolarHBondContact O-N 2.85Å; A202-E206 VanDerWaalsContact O-N 3.11Å; E203-E206 PolarHBondContact O-N 3.33Å; E206-L208 VanDerWaalsContact C-N 3.35Å; E206-L208 PolarHBondContact O-N 3.09Å; E206-Q209 WeakPolarHBondContact O-CB 3.31Å; E206-Q209 PolarHBondContact O-N 3.43Å; E206-Q209 VanDerWaalsContact O-N 3.08Å; E206-E210 PolarHBondContact O-N 2.94Å
207	T	76.9	Confident	69.5	Low	70 Å²	70	112.4 Å²	112.4	43%	0.429	55%	0.551	S	S	.	*	H	α-helix	trans	-62.5	-39.2	176.2	49.1	0	0	0	0	112.7	E203 T204 Q209 E210 L211	E203-T207 WeakPolarHBondContact O-CG2 3.39Å; E203-T207 PolarHBondContact O-N 2.64Å; E203-T207 VanDerWaalsContact O-N 3.08Å; E203-T207 PolarHBondContact O-OG1 3.43Å; T204-T207 WeakPolarHBondContact CA-OG1 3.48Å; T204-T207 PolarHBondContact O-OG1 2.9Å; T204-T207 VanDerWaalsContact O-OG1 3.14Å; T207-Q209 VanDerWaalsContact C-N 3.34Å; T207-E210 PolarHBondContact O-N 3.47Å; T207-L211 WeakPolarHBondContact O-CB 3.39Å; T207-L211 VanDerWaalsContact O-CG 3.28Å; T207-L211 WeakPolarHBondContact O-CG 3.27Å; T207-L211 PolarHBondContact O-N 3.12Å
208	L	71.7	Confident	69.1	Low	63 Å²	63	113.6 Å²	113.6	33%	0.33	56%	0.558	S	S	.	*	H	α-helix	trans	-64.3	-38.7	172.6	-76.6	171.8	0	0	0	111.9	T204 E206 L211 Y212	T204-L208 WeakPolarHBondContact O-CB 3.45Å; T204-L208 WeakPolarHBondContact O-CD1 3.39Å; T204-L208 WeakPolarHBondContact O-CG 3.28Å; T204-L208 PolarHBondContact O-N 3.08Å; T204-L208 VanDerWaalsContact O-N 3.15Å; E206-L208 VanDerWaalsContact C-N 3.35Å; E206-L208 PolarHBondContact O-N 3.09Å; L208-L211 PolarHBondContact O-N 3.15Å; L208-Y212 HydrophobicContact CB-CD2 4.49Å; L208-Y212 HydrophobicContact CB-CE2 4.39Å; L208-Y212 WeakPolarHBondContact O-CD2 3.37Å; L208-Y212 PolarHBondContact O-N 3Å
209	Q	74.3	Confident	69	Low	89 Å²	89	111.5 Å²	111.5	42%	0.416	55%	0.551	S	S	.	*	H	α-helix	trans	-66.8	-37.7	176.7	-77.9	179.4	-8	0	0	112.8	R205 E206 T207 K213	R205-Q209 VanDerWaalsContact O-CG 3.31Å; R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 3.26Å; E206-Q209 WeakPolarHBondContact O-CB 3.31Å; E206-Q209 PolarHBondContact O-N 3.43Å; E206-Q209 VanDerWaalsContact O-N 3.08Å; T207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-K213 WeakPolarHBondContact O-CG 3.42Å; Q209-K213 PolarHBondContact O-N 3.27Å; Q209-K213 VanDerWaalsContact O-N 3.13Å
210	E	79.5	Confident	68.9	Low	116 Å²	116	108 Å²	108	54%	0.542	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-46.2	172.9	-72.5	179.1	168.9	0	0	111	E206 T207 Y212 K213 E214	E206-E210 PolarHBondContact O-N 2.94Å; T207-E210 PolarHBondContact O-N 3.47Å; E210-Y212 PolarHBondContact O-N 2.98Å; E210-K213 PolarHBondContact O-N 3.44Å; E210-K213 VanDerWaalsContact O-N 3.07Å; E210-E214 WeakPolarHBondContact O-CG 3.45Å; E210-E214 PolarHBondContact O-N 2.95Å
211	L	73.1	Confident	68.7	Low	98 Å²	98	109.9 Å²	109.9	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-57.1	-46.3	174.4	-75.8	167.8	0	0	0	111.7	T207 L208 K213 E214 F215	T207-L211 WeakPolarHBondContact O-CB 3.39Å; T207-L211 VanDerWaalsContact O-CG 3.28Å; T207-L211 WeakPolarHBondContact O-CG 3.27Å; T207-L211 PolarHBondContact O-N 3.12Å; L208-L211 PolarHBondContact O-N 3.15Å; L211-K213 VanDerWaalsContact C-N 3.28Å; L211-K213 PolarHBondContact O-N 2.71Å; L211-E214 PolarHBondContact O-N 3.23Å; L211-F215 WeakPolarHBondContact O-CA 3.21Å; L211-F215 WeakPolarHBondContact O-CB 3.46Å; L211-F215 PolarHBondContact O-N 2.86Å
212	Y	67.1	Low	68	Low	143 Å²	143	106.9 Å²	106.9	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-66.2	-26.9	177.6	-77	-60.7	0	0	0	113.7	L208 E210	L208-Y212 HydrophobicContact CB-CD2 4.49Å; L208-Y212 HydrophobicContact CB-CE2 4.39Å; L208-Y212 WeakPolarHBondContact O-CD2 3.37Å; L208-Y212 PolarHBondContact O-N 3Å; E210-Y212 PolarHBondContact O-N 2.98Å
213	K	72.9	Confident	67.4	Low	167 Å²	167	107.4 Å²	107.4	73%	0.726	54%	0.539	S	S	*	.	H	α-helix	trans	-77	-36.4	174.4	-76.7	173	-178.4	173.7	0	112.5	Q209 E210 L211	Q209-K213 WeakPolarHBondContact O-CG 3.42Å; Q209-K213 PolarHBondContact O-N 3.27Å; Q209-K213 VanDerWaalsContact O-N 3.13Å; E210-K213 PolarHBondContact O-N 3.44Å; E210-K213 VanDerWaalsContact O-N 3.07Å; L211-K213 VanDerWaalsContact C-N 3.28Å; L211-K213 PolarHBondContact O-N 2.71Å
214	E	72.9	Confident	66.5	Low	155 Å²	155	105.1 Å²	105.1	72%	0.724	54%	0.536	S	S	*	.	H	α-helix	trans	-85.9	-28.4	-177.9	-67.6	-174.3	169.6	0	0	112.7	E210 L211 K216	E210-E214 WeakPolarHBondContact O-CG 3.45Å; E210-E214 PolarHBondContact O-N 2.95Å; L211-E214 PolarHBondContact O-N 3.23Å; E214-K216 PolarHBondContact O-N 3.45Å
215	F	62.3	Low	65.7	Low	134 Å²	134	109.2 Å²	109.2	59%	0.588	55%	0.553	S	S	*	*			trans	-82.6	87.2	-174.1	-157.9	-98.5	0	0	0	112	L211 G217	L211-F215 WeakPolarHBondContact O-CA 3.21Å; L211-F215 WeakPolarHBondContact O-CB 3.46Å; L211-F215 PolarHBondContact O-N 2.86Å; F215-G217 PolarHBondContact O-N 3.4Å
216	K	58.9	Low	64.6	Low	155 Å²	155	109.5 Å²	109.5	67%	0.674	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	15.1	166.6	-66.3	-177.4	177.3	178.8	0	113.6	E214 V220	E214-K216 PolarHBondContact O-N 3.45Å; K216-V220 WeakPolarHBondContact O-CG2 3.42Å; K216-V220 PolarHBondContact O-N 3.22Å
217	G	58.4	Low	63.4	Low	20 Å²	20	107.9 Å²	107.9	21%	0.206	56%	0.563	C	S	.	*	H	α-helix	trans	-66.4	-38.4	-173.5	0	0	0	0	0	113.1	F215 V220 L221	F215-G217 PolarHBondContact O-N 3.4Å; G217-V220 PolarHBondContact O-N 3.45Å; G217-L221 WeakPolarHBondContact O-CB 3.39Å; G217-L221 PolarHBondContact O-N 2.91Å
218	D	58.2	Low	62.4	Low	110 Å²	110	110.5 Å²	110.5	59%	0.588	58%	0.581	S	S	*	*	H	α-helix	trans	-72.1	-32.6	-175.3	-73.6	-11.1	0	0	0	113.1	V220 A222	D218-V220 VanDerWaalsContact C-N 3.34Å; D218-A222 WeakPolarHBondContact O-CB 3.16Å; D218-A222 PolarHBondContact O-N 2.86Å
219	E	59.9	Low	61.7	Low	149 Å²	149	114.1 Å²	114.1	70%	0.696	60%	0.596	S	S	*	*	H	α-helix	trans	-67.6	-38.1	172.6	-67.8	-172.8	156.4	0	0	111.4	A223	E219-A223 WeakPolarHBondContact O-CB 3.49Å; E219-A223 PolarHBondContact O-N 3.35Å
220	V	59.3	Low	60.8	Low	93 Å²	93	116.9 Å²	116.9	56%	0.564	61%	0.607	S	S	*	*	H	α-helix	trans	-73	-38.2	178.3	-179.4	0	0	0	0	110.7	K216 G217 D218 T224	K216-V220 WeakPolarHBondContact O-CG2 3.42Å; K216-V220 PolarHBondContact O-N 3.22Å; G217-V220 PolarHBondContact O-N 3.45Å; D218-V220 VanDerWaalsContact C-N 3.34Å; V220-T224 WeakPolarHBondContact O-CB 3.49Å; V220-T224 VanDerWaalsContact O-CG2 3.25Å; V220-T224 WeakPolarHBondContact O-CG2 3.44Å; V220-T224 PolarHBondContact O-N 2.8Å; V220-T224 VanDerWaalsContact O-N 3.08Å; V220-T224 PolarHBondContact O-OG1 2.83Å
221	L	56.3	Low	59.9	Low	99 Å²	99	117.8 Å²	117.8	52%	0.518	61%	0.609	S	S	.	*	H	α-helix	trans	-69.8	-43.1	173.8	-118.8	104.3	0	0	0	111.6	G217 A223 T224 M225	G217-L221 WeakPolarHBondContact O-CB 3.39Å; G217-L221 PolarHBondContact O-N 2.91Å; L221-A223 PolarHBondContact O-N 3.25Å; L221-T224 VanDerWaalsContact CA-OG1 3.31Å; L221-T224 WeakPolarHBondContact CA-OG1 3.22Å; L221-T224 PolarHBondContact O-N 2.77Å; L221-T224 PolarHBondContact O-OG1 3.4Å; L221-M225 HydrophobicContact CD2-SD 3.73Å; L221-M225 VanDerWaalsContact O-CB 3.24Å; L221-M225 WeakPolarHBondContact O-CB 3.42Å; L221-M225 VanDerWaalsContact O-CG 3.26Å; L221-M225 WeakPolarHBondContact O-CG 2.89Å; L221-M225 PolarHBondContact O-N 2.9Å
222	A	58.7	Low	59.3	Low	62 Å²	62	122 Å²	122	51%	0.512	62%	0.623	S	S	.	*	H	α-helix	trans	-65.3	-38.5	176.7	0	0	0	0	0	111.9	D218 T224 K226	D218-A222 WeakPolarHBondContact O-CB 3.16Å; D218-A222 PolarHBondContact O-N 2.86Å; A222-T224 VanDerWaalsContact C-N 3.31Å; A222-T224 PolarHBondContact O-N 3.05Å; A222-K226 WeakPolarHBondContact O-CB 3.3Å; A222-K226 PolarHBondContact O-N 3.15Å
223	A	59	Low	59	Low	79 Å²	79	118.2 Å²	118.2	65%	0.653	62%	0.615	S	S	*	*	H	α-helix	trans	-67.8	-29.5	174.5	0	0	0	0	0	113	E219 L221	E219-A223 WeakPolarHBondContact O-CB 3.49Å; E219-A223 PolarHBondContact O-N 3.35Å; L221-A223 PolarHBondContact O-N 3.25Å
224	T	56.8	Low	58.9	Low	106 Å²	106	113.3 Å²	113.3	65%	0.65	60%	0.597	S	S	*	*	H	α-helix	trans	-88.6	-27	178.1	50.4	0	0	0	0	113.4	V220 L221 A222	V220-T224 WeakPolarHBondContact O-CB 3.49Å; V220-T224 VanDerWaalsContact O-CG2 3.25Å; V220-T224 WeakPolarHBondContact O-CG2 3.44Å; V220-T224 PolarHBondContact O-N 2.8Å; V220-T224 VanDerWaalsContact O-N 3.08Å; V220-T224 PolarHBondContact O-OG1 2.83Å; L221-T224 VanDerWaalsContact CA-OG1 3.31Å; L221-T224 WeakPolarHBondContact CA-OG1 3.22Å; L221-T224 PolarHBondContact O-N 2.77Å; L221-T224 PolarHBondContact O-OG1 3.4Å; A222-T224 VanDerWaalsContact C-N 3.31Å; A222-T224 PolarHBondContact O-N 3.05Å
225	M	53.1	Low	58.8	Low	143 Å²	143	115.1 Å²	115.1	70%	0.704	60%	0.602	S	S	*	*	H	α-helix	trans	-93.1	-9.6	178.1	-67	-171.9	80.5	0	0	114.1	L221 A227	L221-M225 HydrophobicContact CD2-SD 3.73Å; L221-M225 VanDerWaalsContact O-CB 3.24Å; L221-M225 WeakPolarHBondContact O-CB 3.42Å; L221-M225 VanDerWaalsContact O-CG 3.26Å; L221-M225 WeakPolarHBondContact O-CG 2.89Å; L221-M225 PolarHBondContact O-N 2.9Å; M225-A227 VanDerWaalsContact C-N 3.31Å; M225-A227 PolarHBondContact O-N 2.94Å
226	K	49.8	Very low	59	Low	140 Å²	140	110.5 Å²	110.5	61%	0.609	58%	0.583	S	S	*	*	S	Bend	trans	-64	97.9	170.7	-154	-178	-164	-158	0	107.9	A222 E229	A222-K226 WeakPolarHBondContact O-CB 3.3Å; A222-K226 PolarHBondContact O-N 3.15Å; K226-E229 WeakPolarHBondContact CE-OE1 3.35Å; K226-E229 IonicContact NZ-OE1 3.86Å; K226-E229 PolarHBondContact NZ-OE1 2.91Å
227	A	53.3	Low	59.7	Low	75 Å²	75	103.3 Å²	103.3	62%	0.62	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-49	135.1	173.9	0	0	0	0	0	108.3	M225 E229	M225-A227 VanDerWaalsContact C-N 3.31Å; M225-A227 PolarHBondContact O-N 2.94Å; A227-E229 PolarHBondContact O-N 3.12Å
228	P	55.3	Low	60.8	Low	124 Å²	124	104.3 Å²	104.3	81%	0.805	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-53.3	118	-179	22	-32.5	0	0	0	108	K230	P228-K230 PolarHBondContact O-N 3.24Å
229	E	55.8	Low	61.7	Low	139 Å²	139	99.4 Å²	99.4	65%	0.65	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-52.3	128.7	-179.7	-70.6	177.6	-172.3	0	0	108.1	K226 A227 K231	K226-E229 WeakPolarHBondContact CE-OE1 3.35Å; K226-E229 IonicContact NZ-OE1 3.86Å; K226-E229 PolarHBondContact NZ-OE1 2.91Å; A227-E229 PolarHBondContact O-N 3.12Å; E229-K231 PolarHBondContact O-N 3.28Å
230	K	56.3	Low	62.6	Low	148 Å²	148	102 Å²	102	64%	0.643	55%	0.545	S	S	*	.			trans	-58.2	103.7	180	-70.7	-171.7	178.5	-166.8	0	108	P228 K232	P228-K230 PolarHBondContact O-N 3.24Å; K230-K232 PolarHBondContact O-N 2.83Å
231	K	60.7	Low	63.6	Low	135 Å²	135	105 Å²	105	59%	0.587	55%	0.547	S	S	*	.			trans	-59	125.2	174.9	-65.8	-172.5	-175.4	-173.2	0	107.9	E229 V233 A265 D267	E229-K231 PolarHBondContact O-N 3.28Å; K231-V233 PolarHBondContact O-N 3.31Å; K231-A265 HydrophobicContact CB-CB 4.1Å; K231-D267 IonicContact NZ-OD1 2.92Å; K231-D267 PolarHBondContact NZ-OD1 2.93Å
232	K	60.1	Low	65	Low	187 Å²	187	102.9 Å²	102.9	81%	0.813	54%	0.541	S	S	*	.			trans	-63.9	125.1	177.1	-68.7	-178.4	179.7	177.7	0	108.6	K230	K230-K232 PolarHBondContact O-N 2.83Å
233	V	61.5	Low	66.2	Low	62 Å²	62	102.4 Å²	102.4	38%	0.376	53%	0.532	S	S	.	.			trans	-93.5	110.6	179.8	-173.7	0	0	0	0	108.3	K231 A238 A265	K231-V233 PolarHBondContact O-N 3.31Å; V233-A238 HydrophobicContact CG1-CB 3.81Å; V233-A265 HydrophobicContact CG2-CB 3.98Å
234	D	71.2	Confident	67.4	Low	65 Å²	65	100 Å²	100	35%	0.348	52%	0.515	S	S	.	.			trans	-89.1	166.5	168.4	-64.8	-31.3	0	0	0	110.4	L236 N237 A238	D234-L236 PolarHBondContact O-N 2.58Å; D234-L236 VanDerWaalsContact O-N 3.17Å; D234-N237 PolarHBondContact O-N 2.97Å; D234-N237 VanDerWaalsContact O-N 3.07Å; D234-A238 PolarHBondContact O-N 3.38Å
235	K	69.6	Low	68.8	Low	192 Å²	192	98.7 Å²	98.7	84%	0.835	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.5	176.4	-73.5	-177.7	179.4	176.4	0	113.2
236	L	67.6	Low	70.4	Confident	37 Å²	37	93 Å²	93	19%	0.194	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-41.9	175.8	-76.9	158	0	0	0	112.1	D234 A238 L271 F275 E448 R449 Q452	D234-L236 PolarHBondContact O-N 2.58Å; D234-L236 VanDerWaalsContact O-N 3.17Å; L236-A238 VanDerWaalsContact C-N 3.33Å; L236-A238 PolarHBondContact O-N 3.25Å; L236-L271 HydrophobicContact CB-CD1 4.19Å; L236-L271 WeakPolarHBondContact O-CD1 3.48Å; L236-F275 HydrophobicContact CD2-CZ 4.37Å; L236-E448 HydrophobicContact CD1-CB 4.22Å; L236-R449 HydrophobicContact CD1-CG 4.24Å; L236-Q452 VanDerWaalsContact CD1-NE2 3.31Å
237	N	73.6	Confident	72.1	Confident	5 Å²	5	89.7 Å²	89.7	3%	0.027	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.6	-174.9	-65.5	-5.1	0	0	0	113	D234 A239 A265 I266 L271 R449	D234-N237 PolarHBondContact O-N 2.97Å; D234-N237 VanDerWaalsContact O-N 3.07Å; N237-A239 PolarHBondContact O-N 3.11Å; N237-A265 CarbonylContact O-C 3.41Å; N237-A265 WeakPolarHBondContact O-CA 3.43Å; N237-I266 PolarHBondContact O-N 3.03Å; N237-L271 WeakPolarHBondContact OD1-CD1 3.19Å; N237-R449 PolarHBondContact ND2-NH2 3.22Å
238	A	79.9	Confident	73.7	Confident	40 Å²	40	87.5 Å²	87.5	33%	0.331	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.9	179.2	0	0	0	0	0	110.6	V233 D234 L236 A263	V233-A238 HydrophobicContact CG1-CB 3.81Å; D234-A238 PolarHBondContact O-N 3.38Å; L236-A238 VanDerWaalsContact C-N 3.33Å; L236-A238 PolarHBondContact O-N 3.25Å; A238-A263 HydrophobicContact CB-CB 4.12Å
239	A	77.4	Confident	75.4	Confident	8 Å²	8	82.5 Å²	82.5	7%	0.066	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	154.2	172.9	0	0	0	0	0	111.4	N237 Y241 A264 I266	N237-A239 PolarHBondContact O-N 3.11Å; A239-Y241 HydrophobicContact CB-CD1 3.84Å; A239-Y241 HydrophobicContact CB-CD2 4.4Å; A239-Y241 HydrophobicContact CB-CE1 3.64Å; A239-Y241 HydrophobicContact CB-CE2 4.23Å; A239-Y241 HydrophobicContact CB-CG 4.21Å; A239-Y241 PolarHBondContact O-N 3.24Å; A239-A264 HydrophobicContact CB-CB 4.07Å; A239-A264 WeakPolarHBondContact CB-O 3.46Å; A239-A264 PolarHBondContact N-O 3.22Å; A239-I266 HydrophobicContact CB-CD1 4.32Å; A239-I266 HydrophobicContact CB-CG1 3.69Å
240	H	79.4	Confident	77	Confident	204 Å²	204	84.5 Å²	84.5	94%	0.944	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	-9.4	172.9	-162.9	-63.1	0	0	0	112.6
241	Y	81.3	Confident	78.5	Confident	154 Å²	154	83 Å²	83	60%	0.604	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	153.5	177	59.6	-91.6	0	0	0	111.2	A239 A264	A239-Y241 HydrophobicContact CB-CD1 3.84Å; A239-Y241 HydrophobicContact CB-CD2 4.4Å; A239-Y241 HydrophobicContact CB-CE1 3.64Å; A239-Y241 HydrophobicContact CB-CE2 4.23Å; A239-Y241 HydrophobicContact CB-CG 4.21Å; A239-Y241 PolarHBondContact O-N 3.24Å; Y241-A264 HydrophobicContact CD2-CB 3.71Å; Y241-A264 HydrophobicContact CE2-CB 3.4Å; Y241-A264 VanDerWaalsContact CE2-CB 3.4Å; Y241-A264 PolarHBondContact O-N 3.47Å
242	S	85.5	Confident	79.8	Confident	56 Å²	56	78.8 Å²	78.8	39%	0.392	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	164.1	179.8	67	0	0	0	0	112.1	G244 E262	S242-G244 PolarHBondContact O-N 2.72Å; S242-G244 VanDerWaalsContact O-N 3.12Å; S242-E262 WeakPolarHBondContact CA-O 3.28Å
243	T	82.3	Confident	81	Confident	52 Å²	52	77.2 Å²	77.2	32%	0.319	42%	0.422	S	S	.	.			trans	-64.4	-10.3	175.5	56.4	0	0	0	0	114	K245 E262 A264	T243-K245 PolarHBondContact O-N 2.92Å; T243-K245 VanDerWaalsContact O-N 3.11Å; T243-E262 HydrophobicContact CG2-CB 4.27Å; T243-E262 PolarHBondContact N-O 2.88Å; T243-E262 PolarHBondContact OG1-O 2.69Å; T243-A264 HydrophobicContact CG2-CB 4.25Å
244	G	85.8	Confident	82.1	Confident	29 Å²	29	78.8 Å²	78.8	30%	0.299	44%	0.441	S	S	.	.	S	Bend	trans	71.3	-3.3	-178.1	0	0	0	0	0	114.8	S242 V246 S247 A248	S242-G244 PolarHBondContact O-N 2.72Å; S242-G244 VanDerWaalsContact O-N 3.12Å; G244-V246 PolarHBondContact O-N 3.26Å; G244-S247 PolarHBondContact O-N 2.78Å; G244-A248 WeakPolarHBondContact O-CB 3.34Å; G244-A248 PolarHBondContact O-N 3.46Å
245	K	84.5	Confident	82.6	Confident	78 Å²	78	80.8 Å²	80.8	34%	0.339	45%	0.449	S	S	.	.	H	α-helix	trans	-66.5	-38.6	-175.5	-67.8	-175.6	176.6	-178.6	0	113.9	T243 S247 A248 S249 E258	T243-K245 PolarHBondContact O-N 2.92Å; T243-K245 VanDerWaalsContact O-N 3.11Å; K245-S247 VanDerWaalsContact C-N 3.32Å; K245-S247 PolarHBondContact O-N 2.88Å; K245-A248 PolarHBondContact O-N 3.49Å; K245-S249 VanDerWaalsContact O-CB 3.28Å; K245-S249 WeakPolarHBondContact O-CB 3.39Å; K245-S249 PolarHBondContact O-N 2.96Å; K245-S249 PolarHBondContact O-OG 2.83Å; K245-E258 WeakPolarHBondContact CB-OE2 3.49Å; K245-E258 WeakPolarHBondContact CD-OE2 3.38Å
246	V	87	Confident	83.3	Confident	23 Å²	23	77.1 Å²	77.1	14%	0.139	44%	0.443	C	S	.	.	H	α-helix	trans	-57.1	-48.7	173.3	177.9	0	0	0	0	110.1	G244 A248 S249 F250 E258 T260 H261	G244-V246 PolarHBondContact O-N 3.26Å; V246-A248 PolarHBondContact O-N 2.75Å; V246-S249 PolarHBondContact O-N 2.84Å; V246-S249 PolarHBondContact O-OG 3.21Å; V246-F250 WeakPolarHBondContact O-CB 3.47Å; V246-F250 PolarHBondContact O-N 3.11Å; V246-E258 HydrophobicContact CG2-CB 4.46Å; V246-T260 VanDerWaalsContact CG2-C 3.44Å; V246-T260 WeakPolarHBondContact CG2-O 3.35Å; V246-H261 VanDerWaalsContact CG1-CE1 3.49Å; V246-H261 WeakPolarHBondContact CG1-CE1 3.29Å
247	S	86.3	Confident	84.1	Confident	70 Å²	70	80.4 Å²	80.4	49%	0.49	47%	0.467	S	S	.	.	H	α-helix	trans	-66.1	-37	178.3	-55	0	0	0	0	113.1	G244 K245 T251	G244-S247 PolarHBondContact O-N 2.78Å; K245-S247 VanDerWaalsContact C-N 3.32Å; K245-S247 PolarHBondContact O-N 2.88Å; S247-T251 WeakPolarHBondContact O-CG2 3.41Å; S247-T251 PolarHBondContact O-N 3.25Å; S247-T251 PolarHBondContact O-OG1 2.84Å
248	A	87.6	Confident	84.6	Confident	30 Å²	30	82.5 Å²	82.5	25%	0.248	48%	0.476	C	S	.	.	H	α-helix	trans	-69.9	-40.7	176.6	0	0	0	0	0	111.8	G244 K245 V246 F250 T251 S252 M255	G244-A248 WeakPolarHBondContact O-CB 3.34Å; G244-A248 PolarHBondContact O-N 3.46Å; K245-A248 PolarHBondContact O-N 3.49Å; V246-A248 PolarHBondContact O-N 2.75Å; A248-F250 VanDerWaalsContact C-N 3.3Å; A248-F250 PolarHBondContact O-N 3.43Å; A248-T251 PolarHBondContact O-N 2.94Å; A248-T251 PolarHBondContact O-OG1 3.4Å; A248-S252 WeakPolarHBondContact O-CB 3.49Å; A248-S252 PolarHBondContact O-N 3.49Å; A248-M255 HydrophobicContact CB-CE 4.38Å; A248-M255 HydrophobicContact CB-SD 3.69Å
249	S	90.3	Very high	84.8	Confident	18 Å²	18	86.8 Å²	86.8	13%	0.126	50%	0.498	C	S	.	.	H	α-helix	trans	-70.1	-28.1	176.6	77.6	0	0	0	0	112.8	K245 V246 V256 E258	K245-S249 VanDerWaalsContact O-CB 3.28Å; K245-S249 WeakPolarHBondContact O-CB 3.39Å; K245-S249 PolarHBondContact O-N 2.96Å; K245-S249 PolarHBondContact O-OG 2.83Å; V246-S249 PolarHBondContact O-N 2.84Å; V246-S249 PolarHBondContact O-OG 3.21Å; S249-V256 WeakPolarHBondContact CB-O 3.1Å; S249-E258 PolarHBondContact OG-N 3.13Å; S249-E258 PolarHBondContact OG-O 3.39Å
250	F	89.6	Confident	85.1	Confident	182 Å²	182	90.4 Å²	90.4	80%	0.798	52%	0.52	S	S	*	.	H	α-helix	trans	-71.2	-34.5	172.9	-177.5	-103.1	0	0	0	112.3	V246 A248	V246-F250 WeakPolarHBondContact O-CB 3.47Å; V246-F250 PolarHBondContact O-N 3.11Å; A248-F250 VanDerWaalsContact C-N 3.3Å; A248-F250 PolarHBondContact O-N 3.43Å
251	T	88.5	Confident	85.2	Confident	116 Å²	116	87 Å²	87	71%	0.712	50%	0.504	S	S	*	.	H	α-helix	trans	-97.2	-16	-175.3	54.4	0	0	0	0	114.2	S247 A248	S247-T251 WeakPolarHBondContact O-CG2 3.41Å; S247-T251 PolarHBondContact O-N 3.25Å; S247-T251 PolarHBondContact O-OG1 2.84Å; A248-T251 PolarHBondContact O-N 2.94Å; A248-T251 PolarHBondContact O-OG1 3.4Å
252	S	87.8	Confident	85.2	Confident	46 Å²	46	83.5 Å²	83.5	32%	0.322	49%	0.493	S	S	.	.			trans	-116	129.8	-176.6	-169.8	0	0	0	0	112.6	A248 A254	A248-S252 WeakPolarHBondContact O-CB 3.49Å; A248-S252 PolarHBondContact O-N 3.49Å; S252-A254 VanDerWaalsContact C-N 3.26Å; S252-A254 PolarHBondContact O-N 3.22Å; S252-A254 PolarHBondContact OG-N 3.05Å
253	T	84.9	Confident	85	Confident	155 Å²	155	82.6 Å²	82.6	95%	0.951	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.2	173.9	52.1	0	0	0	0	113.6
254	A	85.1	Confident	84.8	Confident	94 Å²	94	80.7 Å²	80.7	78%	0.777	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-10.2	-178.2	0	0	0	0	0	113.5	S252	S252-A254 VanDerWaalsContact C-N 3.26Å; S252-A254 PolarHBondContact O-N 3.22Å; S252-A254 PolarHBondContact OG-N 3.05Å
255	M	81.8	Confident	84.3	Confident	107 Å²	107	80.8 Å²	80.8	53%	0.527	48%	0.477	S	S	.	.	S	Bend	trans	-99.3	149.4	179	-72.7	-160.2	-179.6	0	0	111.6	A248	A248-M255 HydrophobicContact CB-CE 4.38Å; A248-M255 HydrophobicContact CB-SD 3.69Å
256	V	84.2	Confident	83.8	Confident	116 Å²	116	79.2 Å²	79.2	70%	0.703	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-66.3	131.1	172.7	179.4	0	0	0	0	108.7	S249 E258	S249-V256 WeakPolarHBondContact CB-O 3.1Å; V256-E258 PolarHBondContact O-N 3.38Å; V256-E258 VanDerWaalsContact O-N 3.16Å
257	P	84.1	Confident	82.9	Confident	106 Å²	106	82.2 Å²	82.2	69%	0.688	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-61	117.1	177.4	23.2	-32.2	0	0	0	110.5
258	E	83.8	Confident	81.9	Confident	49 Å²	49	84 Å²	84	23%	0.229	49%	0.488	C	S	.	.			trans	-107.9	127.6	173.1	-72.7	-168.2	175.1	0	0	109.3	K245 V246 S249 V256	K245-E258 WeakPolarHBondContact CB-OE2 3.49Å; K245-E258 WeakPolarHBondContact CD-OE2 3.38Å; V246-E258 HydrophobicContact CG2-CB 4.46Å; S249-E258 PolarHBondContact OG-N 3.13Å; S249-E258 PolarHBondContact OG-O 3.39Å; V256-E258 PolarHBondContact O-N 3.38Å; V256-E258 VanDerWaalsContact O-N 3.16Å
259	T	83.7	Confident	80.8	Confident	129 Å²	129	85.7 Å²	85.7	79%	0.791	49%	0.492	S	S	*	.			trans	-103.5	-9.8	-176.1	52.6	0	0	0	0	113.6
260	T	83.3	Confident	79.8	Confident	84 Å²	84	88 Å²	88	52%	0.515	51%	0.506	S	S	.	.	S	Bend	trans	-108.8	120.3	-174.3	51.4	0	0	0	0	111.1	V246 E262	V246-T260 VanDerWaalsContact CG2-C 3.44Å; V246-T260 WeakPolarHBondContact CG2-O 3.35Å; T260-E262 PolarHBondContact O-N 2.77Å; T260-E262 VanDerWaalsContact O-N 3.15Å
261	H	82.7	Confident	78.8	Confident	134 Å²	134	79.7 Å²	79.7	62%	0.62	47%	0.469	S	S	*	.			trans	-72.1	106.8	172.9	-71.5	-73.1	0	0	0	110.3	V246	V246-H261 VanDerWaalsContact CG1-CE1 3.49Å; V246-H261 WeakPolarHBondContact CG1-CE1 3.29Å
262	E	81.3	Confident	77.9	Confident	79 Å²	79	75.7 Å²	75.7	37%	0.369	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-92.2	133.8	170.2	-65.1	-179.5	171	0	0	109.8	S242 T243 T260	S242-E262 WeakPolarHBondContact CA-O 3.28Å; T243-E262 HydrophobicContact CG2-CB 4.27Å; T243-E262 PolarHBondContact N-O 2.88Å; T243-E262 PolarHBondContact OG1-O 2.69Å; T260-E262 PolarHBondContact O-N 2.77Å; T260-E262 VanDerWaalsContact O-N 3.15Å
263	A	80.7	Confident	77.3	Confident	37 Å²	37	74.9 Å²	74.9	31%	0.306	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.1	169	0	0	0	0	0	109.2	A238	A238-A263 HydrophobicContact CB-CB 4.12Å
264	A	77.4	Confident	76.5	Confident	12 Å²	12	73.5 Å²	73.5	10%	0.099	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141.9	175.6	0	0	0	0	0	110.1	A239 Y241 T243 I266	A239-A264 HydrophobicContact CB-CB 4.07Å; A239-A264 WeakPolarHBondContact CB-O 3.46Å; A239-A264 PolarHBondContact N-O 3.22Å; Y241-A264 HydrophobicContact CD2-CB 3.71Å; Y241-A264 HydrophobicContact CE2-CB 3.4Å; Y241-A264 VanDerWaalsContact CE2-CB 3.4Å; Y241-A264 PolarHBondContact O-N 3.47Å; T243-A264 HydrophobicContact CG2-CB 4.25Å; A264-I266 PolarHBondContact O-N 2.77Å
265	A	75.1	Confident	75.7	Confident	32 Å²	32	71.5 Å²	71.5	26%	0.264	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.9	172	0	0	0	0	0	109.3	K231 V233 N237	K231-A265 HydrophobicContact CB-CB 4.1Å; V233-A265 HydrophobicContact CG2-CB 3.98Å; N237-A265 CarbonylContact O-C 3.41Å; N237-A265 WeakPolarHBondContact O-CA 3.43Å
266	I	74.3	Confident	75.4	Confident	44 Å²	44	66.7 Å²	66.7	23%	0.226	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-67.8	136	162.6	-57.1	175.5	0	0	0	107.1	N237 A239 A264 E268 V270	N237-I266 PolarHBondContact O-N 3.03Å; A239-I266 HydrophobicContact CB-CD1 4.32Å; A239-I266 HydrophobicContact CB-CG1 3.69Å; A264-I266 PolarHBondContact O-N 2.77Å; I266-E268 PolarHBondContact O-N 3.09Å; I266-V270 HydrophobicContact CG2-CB 3.92Å; I266-V270 HydrophobicContact CG2-CG1 4.06Å
267	D	68.3	Low	74.9	Confident	86 Å²	86	69.3 Å²	69.3	46%	0.46	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-59.9	134.1	174.4	-81.2	-29.7	0	0	0	110.7	K231 D269 V270 L271	K231-D267 IonicContact NZ-OD1 2.92Å; K231-D267 PolarHBondContact NZ-OD1 2.93Å; D267-D269 PolarHBondContact O-N 3.47Å; D267-D269 VanDerWaalsContact O-N 3.12Å; D267-V270 HydrophobicContact CB-CG2 4.29Å; D267-V270 WeakPolarHBondContact O-CB 3.45Å; D267-V270 PolarHBondContact O-N 3Å; D267-L271 PolarHBondContact O-N 2.95Å
268	E	64.9	Low	74.8	Confident	109 Å²	109	69.2 Å²	69.2	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-55.7	-34.2	-175	-63.6	-164.4	126.3	0	0	112.7	I266 V270 L271 R272 R449	I266-E268 PolarHBondContact O-N 3.09Å; E268-V270 VanDerWaalsContact C-N 3.34Å; E268-V270 PolarHBondContact O-N 3.06Å; E268-L271 PolarHBondContact O-N 2.66Å; E268-R272 VanDerWaalsContact O-CB 3.32Å; E268-R272 WeakPolarHBondContact O-CB 3.28Å; E268-R272 PolarHBondContact O-N 3.2Å; E268-R449 IonicContact OE1-CZ 3.61Å; E268-R449 IonicContact OE1-NH1 3.7Å; E268-R449 PolarHBondContact OE1-NH1 3.08Å; E268-R449 IonicContact OE1-NH2 2.71Å; E268-R449 PolarHBondContact OE1-NH2 3.5Å
269	D	65	Low	75	Confident	65 Å²	65	70.8 Å²	70.8	35%	0.348	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-40.2	176.4	-64.9	-17.1	0	0	0	111.9	D267 L271 R272 Y273	D267-D269 PolarHBondContact O-N 3.47Å; D267-D269 VanDerWaalsContact O-N 3.12Å; D269-L271 VanDerWaalsContact C-N 3.35Å; D269-R272 PolarHBondContact O-N 3.46Å; D269-Y273 HydrophobicContact CB-CE2 4.21Å; D269-Y273 WeakPolarHBondContact O-CD1 3.46Å; D269-Y273 WeakPolarHBondContact O-CD2 3.44Å; D269-Y273 PolarHBondContact O-N 2.73Å
270	V	70.5	Confident	75.3	Confident	67 Å²	67	64.7 Å²	64.7	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-68.9	-38.1	179.6	179.2	0	0	0	0	110.7	I266 D267 E268	I266-V270 HydrophobicContact CG2-CB 3.92Å; I266-V270 HydrophobicContact CG2-CG1 4.06Å; D267-V270 HydrophobicContact CB-CG2 4.29Å; D267-V270 WeakPolarHBondContact O-CB 3.45Å; D267-V270 PolarHBondContact O-N 3Å; E268-V270 VanDerWaalsContact C-N 3.34Å; E268-V270 PolarHBondContact O-N 3.06Å
271	L	67.2	Low	75.7	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-48	174.7	-169.7	115.6	0	0	0	110.8	L236 N237 D267 E268 D269 Y273 Q274 F275 I445	L236-L271 HydrophobicContact CB-CD1 4.19Å; L236-L271 WeakPolarHBondContact O-CD1 3.48Å; N237-L271 WeakPolarHBondContact OD1-CD1 3.19Å; D267-L271 PolarHBondContact O-N 2.95Å; E268-L271 PolarHBondContact O-N 2.66Å; D269-L271 VanDerWaalsContact C-N 3.35Å; L271-Y273 PolarHBondContact O-N 2.96Å; L271-Q274 WeakPolarHBondContact O-CB 3.45Å; L271-Q274 PolarHBondContact O-N 2.92Å; L271-F275 HydrophobicContact CD2-CD2 4.44Å; L271-F275 HydrophobicContact CD2-CE2 3.88Å; L271-F275 HydrophobicContact CG-CE2 4Å; L271-F275 VanDerWaalsContact O-CD2 3.28Å; L271-F275 WeakPolarHBondContact O-CD2 3.16Å; L271-I445 HydrophobicContact CD2-CD1 4.22Å; L271-I445 HydrophobicContact CD2-CG1 4.4Å; L271-I445 HydrophobicContact CD2-CG2 4.5Å
272	R	70.9	Confident	76.3	Confident	33 Å²	33	58.6 Å²	58.6	13%	0.125	29%	0.286	C	S	.	.	H	α-helix	trans	-51.5	-44.5	176.8	-179.8	-176.8	170.2	130.9	4.6	111.7	E268 D269 Q274 F275 V276 E305 R309 D442 I445	E268-R272 VanDerWaalsContact O-CB 3.32Å; E268-R272 WeakPolarHBondContact O-CB 3.28Å; E268-R272 PolarHBondContact O-N 3.2Å; D269-R272 PolarHBondContact O-N 3.46Å; R272-Q274 VanDerWaalsContact C-N 3.28Å; R272-Q274 PolarHBondContact O-N 3.34Å; R272-F275 PolarHBondContact O-N 3.46Å; R272-V276 WeakPolarHBondContact O-CG2 3.38Å; R272-E305 IonicContact CZ-OE1 2.68Å; R272-E305 IonicContact NE-OE1 3.88Å; R272-E305 PolarHBondContact NE-OE1 3.45Å; R272-E305 IonicContact NH1-OE1 3.54Å; R272-E305 IonicContact NH2-OE1 3.17Å; R272-R309 VanDerWaalsContact NH1-NH2 3.14Å; R272-D442 WeakPolarHBondContact CD-OD1 3.44Å; R272-D442 IonicContact CZ-OD1 3.65Å; R272-D442 IonicContact CZ-OD2 3.54Å; R272-D442 IonicContact NE-OD1 3.03Å; R272-D442 PolarHBondContact NE-OD1 2.95Å; R272-D442 IonicContact NE-OD2 2.98Å; R272-D442 IonicContact NH1-OD1 2.81Å; R272-D442 PolarHBondContact NH1-OD1 3.22Å; R272-D442 IonicContact NH1-OD2 3.38Å; R272-D442 PolarHBondContact NH1-OD2 2.76Å; R272-D442 IonicContact NH2-OD1 3.96Å; R272-D442 IonicContact NH2-OD2 3.97Å; R272-D442 PolarHBondContact NH2-OD2 3.43Å; R272-I445 HydrophobicContact CB-CD1 4.19Å; R272-I445 HydrophobicContact CG-CD1 4.45Å
273	Y	73.5	Confident	76.9	Confident	29 Å²	29	58.3 Å²	58.3	11%	0.114	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-21.4	-179.6	-60.1	-24.9	0	0	0	114.9	D269 L271 F275 P301 K302 E305 Y438	D269-Y273 HydrophobicContact CB-CE2 4.21Å; D269-Y273 WeakPolarHBondContact O-CD1 3.46Å; D269-Y273 WeakPolarHBondContact O-CD2 3.44Å; D269-Y273 PolarHBondContact O-N 2.73Å; L271-Y273 PolarHBondContact O-N 2.96Å; Y273-F275 VanDerWaalsContact C-N 3.31Å; Y273-P301 HydrophobicContact CD1-CB 3.55Å; Y273-P301 HydrophobicContact CD1-CG 4.3Å; Y273-P301 HydrophobicContact CD2-CB 3.93Å; Y273-P301 HydrophobicContact CD2-CG 3.75Å; Y273-P301 HydrophobicContact CE1-CB 4.14Å; Y273-P301 HydrophobicContact CE2-CB 4.49Å; Y273-P301 HydrophobicContact CE2-CG 4.42Å; Y273-P301 HydrophobicContact CG-CB 3.43Å; Y273-P301 VanDerWaalsContact CG-CB 3.43Å; Y273-P301 HydrophobicContact CG-CG 3.69Å; Y273-K302 HydrophobicContact CE2-CB 4.03Å; Y273-K302 HydrophobicContact CE2-CG 4.5Å; Y273-E305 HydrophobicContact CE1-CB 4.41Å; Y273-E305 WeakPolarHBondContact CE1-OE2 3.44Å; Y273-E305 VanDerWaalsContact CZ-OE2 3.23Å; Y273-E305 PolarHBondContact OH-OE2 3.26Å; Y273-Y438 HydrophobicContact CD1-CE1 4.11Å; Y273-Y438 HydrophobicContact CE1-CE1 4.11Å
274	Q	69.3	Low	77.6	Confident	125 Å²	125	56.6 Å²	56.6	58%	0.584	27%	0.268	S	S	*	.	H	α-helix	trans	-72.3	-26.7	175.5	-68.7	-178.1	-3.7	0	0	112.9	L271 R272	L271-Q274 WeakPolarHBondContact O-CB 3.45Å; L271-Q274 PolarHBondContact O-N 2.92Å; R272-Q274 VanDerWaalsContact C-N 3.28Å; R272-Q274 PolarHBondContact O-N 3.34Å
275	F	68.6	Low	78.4	Confident	53 Å²	53	58.4 Å²	58.4	23%	0.232	27%	0.274	C	S	.	.	H	α-helix	trans	-86.9	-15.4	-179.6	-68.4	-83.3	0	0	0	112.8	L236 L271 R272 Y273 K277 A441 I445	L236-F275 HydrophobicContact CD2-CZ 4.37Å; L271-F275 HydrophobicContact CD2-CD2 4.44Å; L271-F275 HydrophobicContact CD2-CE2 3.88Å; L271-F275 HydrophobicContact CG-CE2 4Å; L271-F275 VanDerWaalsContact O-CD2 3.28Å; L271-F275 WeakPolarHBondContact O-CD2 3.16Å; R272-F275 PolarHBondContact O-N 3.46Å; Y273-F275 VanDerWaalsContact C-N 3.31Å; F275-K277 PolarHBondContact O-N 3.48Å; F275-K277 VanDerWaalsContact O-N 3.09Å; F275-A441 HydrophobicContact CB-CB 4.16Å; F275-I445 HydrophobicContact CD2-CD1 4.01Å; F275-I445 HydrophobicContact CD2-CG1 3.98Å; F275-I445 HydrophobicContact CE2-CG1 4.27Å; F275-I445 HydrophobicContact CG-CG1 4.42Å
276	V	75.7	Confident	79.3	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.03	26%	0.264	C	S	.	.			trans	-78.4	96.6	176.8	-178.4	0	0	0	0	109	R272 C297 P437 Y438 A441	R272-V276 WeakPolarHBondContact O-CG2 3.38Å; V276-C297 HydrophobicContact CG1-CB 3.62Å; V276-P437 HydrophobicContact CG1-CB 4.1Å; V276-P437 HydrophobicContact CG1-CG 4.19Å; V276-Y438 HydrophobicContact CB-CE1 4.47Å; V276-Y438 HydrophobicContact CG1-CD1 4.5Å; V276-Y438 HydrophobicContact CG1-CE1 4.16Å; V276-Y438 HydrophobicContact CG2-CD1 3.56Å; V276-Y438 HydrophobicContact CG2-CE1 3.73Å; V276-Y438 HydrophobicContact CG2-CG 4.41Å; V276-A441 HydrophobicContact CG2-CB 3.78Å
277	K	72.9	Confident	80.3	Confident	172 Å²	172	58.2 Å²	58.2	75%	0.748	27%	0.269	S	S	*	.			trans	-113.1	1	178.1	-64.9	-179	-178.4	173.2	0	113.8	F275 D298	F275-K277 PolarHBondContact O-N 3.48Å; F275-K277 VanDerWaalsContact O-N 3.09Å; K277-D298 WeakPolarHBondContact CA-OD1 2.96Å
278	K	81.6	Confident	81.3	Confident	103 Å²	103	57.8 Å²	57.8	45%	0.448	26%	0.263	S	S	.	.	S	Bend	trans	-107.6	144.6	-178.8	-70.4	-173.6	-175.8	174.6	0	109.8	C297 D298 P437 E440	K278-C297 WeakPolarHBondContact O-CB 3.48Å; K278-D298 PolarHBondContact N-OD1 2.61Å; K278-D298 VanDerWaalsContact N-OD1 3.11Å; K278-P437 HydrophobicContact CB-CB 3.93Å; K278-P437 VanDerWaalsContact O-CB 3.32Å; K278-P437 WeakPolarHBondContact O-CB 3.42Å; K278-E440 VanDerWaalsContact CD-OE2 3.28Å; K278-E440 WeakPolarHBondContact CD-OE2 3.25Å; K278-E440 WeakPolarHBondContact CE-OE2 3.45Å; K278-E440 IonicContact NZ-OE1 3.15Å; K278-E440 PolarHBondContact NZ-OE1 3.39Å; K278-E440 IonicContact NZ-OE2 2.89Å; K278-E440 PolarHBondContact NZ-OE2 3.14Å
279	K	88.1	Confident	82.7	Confident	83 Å²	83	53.7 Å²	53.7	36%	0.361	25%	0.251	S	S	.	.			trans	-73.5	143.3	171.9	-56.7	-172	-178.5	176.2	0	110.7	Y281 E294 L295	K279-Y281 HydrophobicContact CB-CE2 4.47Å; K279-E294 HydrophobicContact CB-CG 4.49Å; K279-E294 HydrophobicContact CD-CG 4.04Å; K279-E294 WeakPolarHBondContact CD-OE1 3.46Å; K279-E294 WeakPolarHBondContact CE-OE1 3.07Å; K279-E294 IonicContact NZ-OE1 2.79Å; K279-E294 PolarHBondContact NZ-OE1 2.91Å; K279-L295 WeakPolarHBondContact CA-O 3.17Å; K279-L295 WeakPolarHBondContact CB-O 2.98Å
280	G	89.1	Confident	84.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	150.9	173.7	0	0	0	0	0	111.7	L295 V435	G280-L295 PolarHBondContact N-O 2.96Å; G280-L295 PolarHBondContact O-N 3.2Å; G280-V435 WeakPolarHBondContact CA-O 3.36Å
281	Y	93.2	Very high	85.2	Confident	89 Å²	89	50 Å²	50	35%	0.349	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.9	174.4	-72	-86.2	0	0	0	110.7	K279 L293 E294 V401 F434 V435	K279-Y281 HydrophobicContact CB-CE2 4.47Å; Y281-L293 WeakPolarHBondContact CA-O 3.27Å; Y281-E294 HydrophobicContact CD1-CB 4.28Å; Y281-E294 HydrophobicContact CE1-CB 3.87Å; Y281-E294 HydrophobicContact CE1-CG 3.94Å; Y281-V401 HydrophobicContact CE1-CG2 4.35Å; Y281-F434 PolarHBondContact O-N 3.29Å; Y281-V435 HydrophobicContact CD2-CB 4.11Å; Y281-V435 HydrophobicContact CD2-CG2 3.95Å; Y281-V435 PolarHBondContact N-O 3.22Å; Y281-V435 PolarHBondContact O-N 3.32Å
282	V	94.4	Very high	86.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.3	-179.7	-179.3	0	0	0	0	109.5	L284 L293 L295 F307 I308 T432 V433	V282-L284 HydrophobicContact CG1-CD2 4.23Å; V282-L293 PolarHBondContact N-O 2.97Å; V282-L293 PolarHBondContact O-N 2.8Å; V282-L295 HydrophobicContact CG2-CD1 3.76Å; V282-F307 HydrophobicContact CB-CE1 4.12Å; V282-F307 HydrophobicContact CG1-CE1 4.01Å; V282-F307 HydrophobicContact CG2-CD1 4.41Å; V282-F307 HydrophobicContact CG2-CE1 4.1Å; V282-I308 HydrophobicContact CG2-CG1 4.37Å; V282-T432 WeakPolarHBondContact CA-O 3.38Å; V282-V433 HydrophobicContact CG2-CG1 4.42Å; V282-V433 HydrophobicContact CG2-CG2 4.27Å
283	R	94.4	Very high	87.7	Confident	74 Å²	74	50.4 Å²	50.4	28%	0.279	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.5	171.1	-170.9	166.9	-167.7	156.2	5.9	109.8	D290 L291 N292 T431 T432 F434	R283-D290 HydrophobicContact CG-CB 4.22Å; R283-D290 IonicContact CZ-OD2 3.92Å; R283-D290 VanDerWaalsContact NE-CB 3.31Å; R283-D290 IonicContact NE-OD2 2.78Å; R283-D290 PolarHBondContact NE-OD2 3.47Å; R283-D290 IonicContact NH2-OD2 2.67Å; R283-D290 PolarHBondContact NH2-OD2 3.31Å; R283-L291 CarbonylContact C-O 3.54Å; R283-L291 WeakPolarHBondContact CA-O 3.4Å; R283-N292 WeakPolarHBondContact CD-OD1 3.36Å; R283-N292 VanDerWaalsContact CG-OD1 3.27Å; R283-N292 WeakPolarHBondContact CG-OD1 3.41Å; R283-T431 WeakPolarHBondContact O-CA 3.45Å; R283-T432 PolarHBondContact N-O 3Å; R283-T432 PolarHBondContact O-N 2.73Å; R283-F434 HydrophobicContact CB-CD2 4.15Å; R283-F434 HydrophobicContact CB-CE2 3.49Å; R283-F434 VanDerWaalsContact CB-CE2 3.49Å; R283-F434 HydrophobicContact CB-CZ 4.08Å; R283-F434 HydrophobicContact CG-CE2 4.2Å
284	L	94.5	Very high	88.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.2	169.1	-55.4	-177.5	0	0	0	107.7	V282 T286 D290 L291 L293 F307 F380 I428 T431	V282-L284 HydrophobicContact CG1-CD2 4.23Å; L284-T286 HydrophobicContact CB-CG2 4.34Å; L284-D290 WeakPolarHBondContact O-CA 3.05Å; L284-L291 HydrophobicContact CB-CB 4.35Å; L284-L291 PolarHBondContact N-O 3.07Å; L284-L291 PolarHBondContact O-N 3.27Å; L284-L293 HydrophobicContact CD1-CD1 3.63Å; L284-L293 HydrophobicContact CD2-CD1 4.44Å; L284-L293 HydrophobicContact CG-CD1 3.81Å; L284-F307 HydrophobicContact CD2-CZ 4.39Å; L284-F380 HydrophobicContact CD1-CE2 4.44Å; L284-F380 HydrophobicContact CD1-CZ 4.24Å; L284-I428 HydrophobicContact CD1-CD1 4.33Å; L284-T431 HydrophobicContact CD2-CG2 3.42Å; L284-T431 VanDerWaalsContact CD2-CG2 3.42Å
285	H	95.1	Very high	89.9	Confident	51 Å²	51	43.3 Å²	43.3	24%	0.236	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.6	169.3	-65	-68.1	0	0	0	107.7	D290 I428 D429 A430 T432	H285-D290 IonicContact CE1-OD1 3.34Å; H285-D290 IonicContact CE1-OD2 3.23Å; H285-D290 IonicContact CG-OD1 3.54Å; H285-D290 IonicContact ND1-OD1 3.5Å; H285-D290 PolarHBondContact ND1-OD1 2.87Å; H285-D290 IonicContact ND1-OD2 2.94Å; H285-I428 CarbonylContact O-C 3.58Å; H285-I428 WeakPolarHBondContact O-CA 3.08Å; H285-D429 PolarHBondContact O-N 3.14Å; H285-A430 HydrophobicContact CB-CB 4.19Å; H285-A430 WeakPolarHBondContact CB-O 3.47Å; H285-A430 PolarHBondContact N-O 3.48Å; H285-A430 PolarHBondContact O-N 3.4Å; H285-T432 PolarHBondContact NE2-OG1 3.48Å
286	T	94.4	Very high	91	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.049	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	161.1	178.1	74.8	0	0	0	0	110.4	L284 K288 G289 F321 R427 I428	L284-T286 HydrophobicContact CB-CG2 4.34Å; T286-K288 PolarHBondContact O-N 2.98Å; T286-K288 VanDerWaalsContact O-N 3.08Å; T286-K288 PolarHBondContact OG1-N 3.16Å; T286-G289 WeakPolarHBondContact CA-O 3.43Å; T286-G289 WeakPolarHBondContact CB-O 3.26Å; T286-G289 PolarHBondContact N-O 3.4Å; T286-G289 PolarHBondContact O-N 3.25Å; T286-G289 PolarHBondContact OG1-N 3.05Å; T286-G289 PolarHBondContact OG1-O 2.78Å; T286-F321 HydrophobicContact CG2-CE2 4.37Å; T286-R427 WeakPolarHBondContact CA-O 3.4Å; T286-R427 VanDerWaalsContact CB-O 3.29Å; T286-R427 WeakPolarHBondContact CB-O 3.45Å; T286-I428 HydrophobicContact CG2-CG1 4.27Å
287	N	93.8	Very high	91.6	Very high	64 Å²	64	41.9 Å²	41.9	34%	0.342	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.2	176.5	68.8	-31.5	0	0	0	114.3	E425 R427 D429	N287-E425 PolarHBondContact ND2-O 2.97Å; N287-R427 HydrophobicContact CB-CG 4.17Å; N287-R427 PolarHBondContact N-O 3.41Å; N287-R427 VanDerWaalsContact N-O 3.15Å; N287-R427 PolarHBondContact OD1-N 3.44Å; N287-D429 PolarHBondContact N-OD2 3.12Å
288	K	90.6	Very high	92.3	Very high	76 Å²	76	36.8 Å²	36.8	33%	0.33	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.5	176.3	-62.1	-63.7	-174.5	175.6	0	113.1	T286 V406 M410 E424 I426	T286-K288 PolarHBondContact O-N 2.98Å; T286-K288 VanDerWaalsContact O-N 3.08Å; T286-K288 PolarHBondContact OG1-N 3.16Å; K288-V406 HydrophobicContact CB-CG1 4.12Å; K288-M410 HydrophobicContact CB-CG 4.4Å; K288-E424 IonicContact NZ-OE2 2.73Å; K288-E424 PolarHBondContact NZ-OE2 3.17Å; K288-I426 HydrophobicContact CG-CG2 4.44Å
289	G	93.3	Very high	92.6	Very high	24 Å²	24	34.1 Å²	34.1	25%	0.247	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.7	-168.8	-179.6	0	0	0	0	0	113	T286	T286-G289 WeakPolarHBondContact CA-O 3.43Å; T286-G289 WeakPolarHBondContact CB-O 3.26Å; T286-G289 PolarHBondContact N-O 3.4Å; T286-G289 PolarHBondContact O-N 3.25Å; T286-G289 PolarHBondContact OG1-N 3.05Å; T286-G289 PolarHBondContact OG1-O 2.78Å
290	D	94.9	Very high	92.7	Very high	53 Å²	53	30.2 Å²	30.2	28%	0.283	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.5	-173.9	-62.1	-28	0	0	0	112.7	R283 L284 H285	R283-D290 HydrophobicContact CG-CB 4.22Å; R283-D290 IonicContact CZ-OD2 3.92Å; R283-D290 VanDerWaalsContact NE-CB 3.31Å; R283-D290 IonicContact NE-OD2 2.78Å; R283-D290 PolarHBondContact NE-OD2 3.47Å; R283-D290 IonicContact NH2-OD2 2.67Å; R283-D290 PolarHBondContact NH2-OD2 3.31Å; L284-D290 WeakPolarHBondContact O-CA 3.05Å; H285-D290 IonicContact CE1-OD1 3.34Å; H285-D290 IonicContact CE1-OD2 3.23Å; H285-D290 IonicContact CG-OD1 3.54Å; H285-D290 IonicContact ND1-OD1 3.5Å; H285-D290 PolarHBondContact ND1-OD1 2.87Å; H285-D290 IonicContact ND1-OD2 2.94Å
291	L	94.5	Very high	92.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.4	172.9	-78.7	171.4	0	0	0	110.8	R283 L284 I382 V400 G403 V406 L407 M410	R283-L291 CarbonylContact C-O 3.54Å; R283-L291 WeakPolarHBondContact CA-O 3.4Å; L284-L291 HydrophobicContact CB-CB 4.35Å; L284-L291 PolarHBondContact N-O 3.07Å; L284-L291 PolarHBondContact O-N 3.27Å; L291-I382 HydrophobicContact CD1-CD1 4.35Å; L291-V400 HydrophobicContact CD2-CG1 4.04Å; L291-G403 WeakPolarHBondContact CD2-O 3.29Å; L291-V406 HydrophobicContact CD2-CB 4.25Å; L291-V406 HydrophobicContact CG-CB 4.35Å; L291-V406 HydrophobicContact CG-CG1 4.14Å; L291-L407 HydrophobicContact CD2-CB 4.19Å; L291-M410 HydrophobicContact CD1-CE 4.46Å; L291-M410 HydrophobicContact CD1-SD 3.71Å
292	N	95	Very high	92.6	Very high	47 Å²	47	28.9 Å²	28.9	25%	0.251	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.2	175	-70.1	-22.5	0	0	0	110.1	R283 V400 V401 G402	R283-N292 WeakPolarHBondContact CD-OD1 3.36Å; R283-N292 VanDerWaalsContact CG-OD1 3.27Å; R283-N292 WeakPolarHBondContact CG-OD1 3.41Å; N292-V400 WeakPolarHBondContact O-CA 3.38Å; N292-V401 HydrophobicContact CB-CG2 3.98Å; N292-V401 WeakPolarHBondContact O-CG2 3.31Å; N292-V401 PolarHBondContact O-N 3.37Å; N292-G402 PolarHBondContact N-O 3.3Å; N292-G402 PolarHBondContact O-N 3.05Å
293	L	94.9	Very high	92.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.9	-177.6	-55.3	177.3	0	0	0	110.2	Y281 V282 L284 F307 L366 V400	Y281-L293 WeakPolarHBondContact CA-O 3.27Å; V282-L293 PolarHBondContact N-O 2.97Å; V282-L293 PolarHBondContact O-N 2.8Å; L284-L293 HydrophobicContact CD1-CD1 3.63Å; L284-L293 HydrophobicContact CD2-CD1 4.44Å; L284-L293 HydrophobicContact CG-CD1 3.81Å; L293-F307 HydrophobicContact CD1-CE1 4.26Å; L293-F307 HydrophobicContact CD1-CZ 3.94Å; L293-L366 HydrophobicContact CD1-CD2 3.98Å; L293-V400 HydrophobicContact CD2-CB 4.39Å; L293-V400 HydrophobicContact CD2-CG2 3.69Å
294	E	94.4	Very high	92.4	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.023	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.1	167.7	179.1	-170.8	157.2	0	0	108.5	K279 Y281 H296 G398 R399 V401	K279-E294 HydrophobicContact CB-CG 4.49Å; K279-E294 HydrophobicContact CD-CG 4.04Å; K279-E294 WeakPolarHBondContact CD-OE1 3.46Å; K279-E294 WeakPolarHBondContact CE-OE1 3.07Å; K279-E294 IonicContact NZ-OE1 2.79Å; K279-E294 PolarHBondContact NZ-OE1 2.91Å; Y281-E294 HydrophobicContact CD1-CB 4.28Å; Y281-E294 HydrophobicContact CE1-CB 3.87Å; Y281-E294 HydrophobicContact CE1-CG 3.94Å; E294-H296 IonicContact OE1-CE1 2.7Å; E294-G398 CarbonylContact O-C 3.25Å; E294-G398 WeakPolarHBondContact O-CA 3.25Å; E294-R399 HydrophobicContact CB-CG 4.19Å; E294-R399 PolarHBondContact N-O 3.25Å; E294-R399 PolarHBondContact O-N 3Å; E294-R399 IonicContact OE1-CZ 3.52Å; E294-R399 IonicContact OE1-NE 2.85Å; E294-R399 IonicContact OE1-NH2 2.77Å; E294-R399 PolarHBondContact OE1-NH2 3.08Å; E294-R399 IonicContact OE2-CZ 2.72Å; E294-R399 VanDerWaalsContact OE2-CZ 3.25Å; E294-R399 IonicContact OE2-NE 3.44Å; E294-R399 PolarHBondContact OE2-NE 3.15Å; E294-R399 IonicContact OE2-NH2 2.66Å; E294-R399 PolarHBondContact OE2-NH2 3.41Å; E294-V401 HydrophobicContact CB-CG1 3.47Å; E294-V401 VanDerWaalsContact CB-CG1 3.47Å; E294-V401 HydrophobicContact CB-CG2 4.25Å; E294-V401 HydrophobicContact CG-CG1 4.39Å; E294-V401 WeakPolarHBondContact OE2-CG1 3.18Å
295	L	94.3	Very high	92.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.6	-178.1	-55	-178.9	0	0	0	110.7	K279 G280 V282 C297 F307 I308 L366 F397	K279-L295 WeakPolarHBondContact CA-O 3.17Å; K279-L295 WeakPolarHBondContact CB-O 2.98Å; G280-L295 PolarHBondContact N-O 2.96Å; G280-L295 PolarHBondContact O-N 3.2Å; V282-L295 HydrophobicContact CG2-CD1 3.76Å; L295-C297 VanDerWaalsContact C-N 3.27Å; L295-C297 PolarHBondContact O-N 3.07Å; L295-C297 VanDerWaalsContact O-N 3.1Å; L295-F307 HydrophobicContact CD1-CD1 3.7Å; L295-F307 HydrophobicContact CD1-CE1 4.24Å; L295-F307 HydrophobicContact CD2-CD1 4.19Å; L295-F307 HydrophobicContact CD2-CE1 4.31Å; L295-I308 HydrophobicContact CD1-CD1 4.01Å; L295-I308 HydrophobicContact CD1-CG1 3.69Å; L295-L366 HydrophobicContact CD2-CD2 3.78Å; L295-F397 CarbonylContact C-O 3.46Å; L295-F397 WeakPolarHBondContact CA-O 3.49Å; L295-F397 HydrophobicContact CD2-CD2 3.86Å; L295-F397 HydrophobicContact CD2-CE2 3.84Å
296	H	92.7	Very high	92.1	Very high	28 Å²	28	22.9 Å²	22.9	13%	0.13	12%	0.122	C	C	.	.			trans	-87.6	61.8	179.3	-64.1	-42.9	0	0	0	111.6	E294 D298 L299 T300 F397	E294-H296 IonicContact OE1-CE1 2.7Å; H296-D298 PolarHBondContact O-N 2.82Å; H296-D298 VanDerWaalsContact O-N 3.16Å; H296-L299 HydrophobicContact CB-CB 4.34Å; H296-L299 HydrophobicContact CB-CD1 4.46Å; H296-L299 PolarHBondContact O-N 3.26Å; H296-T300 PolarHBondContact O-N 3.38Å; H296-T300 PolarHBondContact O-OG1 2.86Å; H296-F397 PolarHBondContact N-O 2.93Å
297	C	88.4	Confident	92.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.6	-176	-61.3	0	0	0	0	113.6	V276 K278 L295 L299 P301 C304 P437	V276-C297 HydrophobicContact CG1-CB 3.62Å; K278-C297 WeakPolarHBondContact O-CB 3.48Å; L295-C297 VanDerWaalsContact C-N 3.27Å; L295-C297 PolarHBondContact O-N 3.07Å; L295-C297 VanDerWaalsContact O-N 3.1Å; C297-L299 VanDerWaalsContact C-N 3.33Å; C297-L299 PolarHBondContact O-N 3.43Å; C297-P301 WeakPolarHBondContact O-CA 3.38Å; C297-P301 VanDerWaalsContact O-CB 3.3Å; C297-P301 WeakPolarHBondContact O-CB 3.44Å; C297-C304 HydrophobicContact CB-CB 4.21Å; C297-C304 VanDerWaalsContact SG-CB 3.53Å; C297-P437 HydrophobicContact CB-CG 3.91Å; C297-P437 VanDerWaalsContact SG-CG 3.56Å
298	D	87.2	Confident	92.1	Very high	66 Å²	66	19.6 Å²	19.6	35%	0.353	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.7	178.9	-43.8	-27.7	0	0	0	112.5	K277 K278 H296	K277-D298 WeakPolarHBondContact CA-OD1 2.96Å; K278-D298 PolarHBondContact N-OD1 2.61Å; K278-D298 VanDerWaalsContact N-OD1 3.11Å; H296-D298 PolarHBondContact O-N 2.82Å; H296-D298 VanDerWaalsContact O-N 3.16Å
299	L	88.2	Confident	92.1	Very high	47 Å²	47	18.4 Å²	18.4	25%	0.246	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-42.3	-173.5	-69.9	177.4	0	0	0	111.6	H296 C297 P301 R355 N357 L358	H296-L299 HydrophobicContact CB-CB 4.34Å; H296-L299 HydrophobicContact CB-CD1 4.46Å; H296-L299 PolarHBondContact O-N 3.26Å; C297-L299 VanDerWaalsContact C-N 3.33Å; C297-L299 PolarHBondContact O-N 3.43Å; L299-P301 VanDerWaalsContact C-CD 3.42Å; L299-P301 WeakPolarHBondContact O-CD 3.22Å; L299-R355 HydrophobicContact CB-CG 4.21Å; L299-R355 PolarHBondContact O-NE 2.83Å; L299-R355 PolarHBondContact O-NH2 3.42Å; L299-N357 WeakPolarHBondContact CD1-ND2 3.34Å; L299-L358 HydrophobicContact CB-CD1 4.15Å; L299-L358 HydrophobicContact CD1-CD1 3.91Å; L299-L358 HydrophobicContact CD1-CD2 3.99Å; L299-L358 HydrophobicContact CD1-CG 3.97Å
300	T	90.4	Very high	92.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-124.1	66.2	-176.9	53.9	0	0	0	0	111	H296 K302 T303 C304 E353 L358 T395 I396 F397	H296-T300 PolarHBondContact O-N 3.38Å; H296-T300 PolarHBondContact O-OG1 2.86Å; T300-K302 PolarHBondContact O-N 3.07Å; T300-T303 PolarHBondContact O-N 2.94Å; T300-C304 WeakPolarHBondContact O-CB 3.29Å; T300-C304 PolarHBondContact O-N 3.11Å; T300-C304 PolarHBondContact O-SG 3.37Å; T300-C304 PolarHBondContact OG1-SG 2.82Å; T300-C304 VanDerWaalsContact OG1-SG 3.39Å; T300-E353 VanDerWaalsContact CA-OE2 3.24Å; T300-E353 WeakPolarHBondContact CA-OE2 3.39Å; T300-E353 HydrophobicContact CG2-CB 3.93Å; T300-E353 WeakPolarHBondContact CG2-O 3.27Å; T300-L358 HydrophobicContact CG2-CD1 4.23Å; T300-T395 HydrophobicContact CG2-CG2 4.03Å; T300-I396 VanDerWaalsContact CG2-O 3.24Å; T300-I396 WeakPolarHBondContact CG2-O 3.39Å; T300-F397 WeakPolarHBondContact OG1-CA 3.18Å; T300-F397 WeakPolarHBondContact OG1-CB 3.28Å
301	P	90.2	Very high	92	Very high	10 Å²	10	15 Å²	15	7%	0.065	7%	0.073	C	C	.	.	H	α-helix	trans	-69.4	-35.6	-168	28.8	-37.2	0	0	0	112.8	Y273 C297 L299 E305 Y438	Y273-P301 HydrophobicContact CD1-CB 3.55Å; Y273-P301 HydrophobicContact CD1-CG 4.3Å; Y273-P301 HydrophobicContact CD2-CB 3.93Å; Y273-P301 HydrophobicContact CD2-CG 3.75Å; Y273-P301 HydrophobicContact CE1-CB 4.14Å; Y273-P301 HydrophobicContact CE2-CB 4.49Å; Y273-P301 HydrophobicContact CE2-CG 4.42Å; Y273-P301 HydrophobicContact CG-CB 3.43Å; Y273-P301 VanDerWaalsContact CG-CB 3.43Å; Y273-P301 HydrophobicContact CG-CG 3.69Å; C297-P301 WeakPolarHBondContact O-CA 3.38Å; C297-P301 VanDerWaalsContact O-CB 3.3Å; C297-P301 WeakPolarHBondContact O-CB 3.44Å; L299-P301 VanDerWaalsContact C-CD 3.42Å; L299-P301 WeakPolarHBondContact O-CD 3.22Å; P301-E305 VanDerWaalsContact O-CB 3.27Å; P301-E305 WeakPolarHBondContact O-CB 3.28Å; P301-E305 PolarHBondContact O-N 3.45Å; P301-Y438 WeakPolarHBondContact CA-OH 3.46Å; P301-Y438 PolarHBondContact O-OH 3.3Å
302	K	89.9	Confident	91.8	Very high	51 Å²	51	18.8 Å²	18.8	22%	0.222	9%	0.089	C	C	.	.	H	α-helix	trans	-71.1	-39.6	179.9	-167.4	168.7	-171.8	170	0	111.1	Y273 T300 N306 W346 F350 K351 E353	Y273-K302 HydrophobicContact CE2-CB 4.03Å; Y273-K302 HydrophobicContact CE2-CG 4.5Å; T300-K302 PolarHBondContact O-N 3.07Å; K302-N306 WeakPolarHBondContact O-CB 3.36Å; K302-N306 PolarHBondContact O-N 3.19Å; K302-N306 VanDerWaalsContact O-N 3.08Å; K302-W346 HydrophobicContact CD-CH2 4.31Å; K302-W346 HydrophobicContact CG-CH2 3.43Å; K302-W346 VanDerWaalsContact CG-CH2 3.43Å; K302-W346 HydrophobicContact CG-CZ2 4.21Å; K302-W346 HydrophobicContact CG-CZ3 3.87Å; K302-W346 WeakPolarHBondContact O-CH2 3.17Å; K302-F350 HydrophobicContact CD-CB 4.15Å; K302-F350 HydrophobicContact CD-CD2 4.26Å; K302-F350 HydrophobicContact CG-CD2 4.14Å; K302-K351 HydrophobicContact CD-CG 4.33Å; K302-E353 WeakPolarHBondContact CB-OE1 3.25Å; K302-E353 PolarHBondContact N-OE1 3.45Å; K302-E353 PolarHBondContact N-OE2 2.91Å
303	T	92.4	Very high	91.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.9	-45.7	-179.9	-47.3	0	0	0	0	111.5	T300 N306 F307 F350 E353 M368 T395 F397	T300-T303 PolarHBondContact O-N 2.94Å; T303-N306 PolarHBondContact O-N 2.84Å; T303-F307 PolarHBondContact O-N 3.23Å; T303-F307 VanDerWaalsContact O-N 3.1Å; T303-F350 HydrophobicContact CG2-CE2 4.19Å; T303-F350 HydrophobicContact CG2-CZ 4.17Å; T303-E353 PolarHBondContact N-OE2 2.93Å; T303-E353 VanDerWaalsContact N-OE2 3.09Å; T303-E353 PolarHBondContact OG1-OE2 2.67Å; T303-M368 HydrophobicContact CG2-CG 3.32Å; T303-M368 HydrophobicContact CG2-SD 3.89Å; T303-T395 HydrophobicContact CG2-CG2 4.15Å; T303-T395 WeakPolarHBondContact OG1-CG2 3.37Å; T303-F397 HydrophobicContact CG2-CB 3.58Å; T303-F397 HydrophobicContact CG2-CD1 3.65Å; T303-F397 HydrophobicContact CG2-CD2 4.28Å; T303-F397 HydrophobicContact CG2-CE1 4.38Å; T303-F397 HydrophobicContact CG2-CG 3.58Å
304	C	91.9	Very high	91.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.2	-38.7	177.5	-66.2	0	0	0	0	112.1	C297 T300 F307 I308 F397 Y438	C297-C304 HydrophobicContact CB-CB 4.21Å; C297-C304 VanDerWaalsContact SG-CB 3.53Å; T300-C304 WeakPolarHBondContact O-CB 3.29Å; T300-C304 PolarHBondContact O-N 3.11Å; T300-C304 PolarHBondContact O-SG 3.37Å; T300-C304 PolarHBondContact OG1-SG 2.82Å; T300-C304 VanDerWaalsContact OG1-SG 3.39Å; C304-F307 PolarHBondContact O-N 3.28Å; C304-I308 WeakPolarHBondContact O-CG1 3.41Å; C304-I308 PolarHBondContact O-N 3.47Å; C304-F397 PolarHBondContact SG-O 3.09Å; C304-F397 VanDerWaalsContact SG-O 3.38Å; C304-Y438 HydrophobicContact CB-CE2 4.42Å; C304-Y438 VanDerWaalsContact CB-OH 3.23Å; C304-Y438 WeakPolarHBondContact CB-OH 3.19Å
305	E	90.5	Very high	91.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-45.4	176.1	-178.1	177.1	-148.3	0	0	111.3	R272 Y273 P301 F307 I308 R309 W346 Y438	R272-E305 IonicContact CZ-OE1 2.68Å; R272-E305 IonicContact NE-OE1 3.88Å; R272-E305 PolarHBondContact NE-OE1 3.45Å; R272-E305 IonicContact NH1-OE1 3.54Å; R272-E305 IonicContact NH2-OE1 3.17Å; Y273-E305 HydrophobicContact CE1-CB 4.41Å; Y273-E305 WeakPolarHBondContact CE1-OE2 3.44Å; Y273-E305 VanDerWaalsContact CZ-OE2 3.23Å; Y273-E305 PolarHBondContact OH-OE2 3.26Å; P301-E305 VanDerWaalsContact O-CB 3.27Å; P301-E305 WeakPolarHBondContact O-CB 3.28Å; P301-E305 PolarHBondContact O-N 3.45Å; E305-F307 VanDerWaalsContact C-N 3.31Å; E305-F307 PolarHBondContact O-N 2.81Å; E305-I308 PolarHBondContact O-N 2.54Å; E305-R309 HydrophobicContact CG-CG 4.2Å; E305-R309 VanDerWaalsContact O-CB 3.31Å; E305-R309 WeakPolarHBondContact O-CB 3.19Å; E305-R309 VanDerWaalsContact O-CG 3.28Å; E305-R309 WeakPolarHBondContact O-CG 3.38Å; E305-R309 PolarHBondContact O-N 2.76Å; E305-R309 IonicContact OE1-CZ 4Å; E305-R309 IonicContact OE1-NE 3.25Å; E305-R309 PolarHBondContact OE1-NE 3.47Å; E305-R309 IonicContact OE1-NH1 3.81Å; E305-R309 IonicContact OE1-NH2 3.72Å; E305-R309 PolarHBondContact OE1-NH2 3.08Å; E305-W346 WeakPolarHBondContact OE2-CZ2 3.4Å; E305-Y438 HydrophobicContact CB-CD1 4.44Å; E305-Y438 HydrophobicContact CB-CE1 3.85Å; E305-Y438 HydrophobicContact CB-CE2 4.08Å; E305-Y438 HydrophobicContact CG-CE1 4.4Å; E305-Y438 PolarHBondContact N-OH 3Å; E305-Y438 VanDerWaalsContact N-OH 3.11Å
306	N	93.1	Very high	91.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-55.7	-49	175.7	-179.3	67.2	0	0	0	110.9	K302 T303 L310 S344 Y345 W346 F350 K377	K302-N306 WeakPolarHBondContact O-CB 3.36Å; K302-N306 PolarHBondContact O-N 3.19Å; K302-N306 VanDerWaalsContact O-N 3.08Å; T303-N306 PolarHBondContact O-N 2.84Å; N306-L310 WeakPolarHBondContact O-CB 3.1Å; N306-L310 WeakPolarHBondContact O-CG 3.48Å; N306-L310 PolarHBondContact O-N 2.79Å; N306-S344 WeakPolarHBondContact OD1-CA 3.49Å; N306-Y345 PolarHBondContact OD1-N 2.99Å; N306-W346 HydrophobicContact CB-CH2 4.09Å; N306-W346 HydrophobicContact CB-CZ3 3.8Å; N306-F350 HydrophobicContact CB-CE1 4.09Å; N306-F350 HydrophobicContact CB-CZ 4.21Å; N306-F350 WeakPolarHBondContact ND2-CE1 3.27Å; N306-K377 PolarHBondContact ND2-O 3.3Å
307	F	94.1	Very high	91.5	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-48.5	-179.1	-173.5	-99.1	0	0	0	112.6	V282 L284 L293 L295 T303 C304 E305 R309 L310 C311 Y316 F380 F397	V282-F307 HydrophobicContact CB-CE1 4.12Å; V282-F307 HydrophobicContact CG1-CE1 4.01Å; V282-F307 HydrophobicContact CG2-CD1 4.41Å; V282-F307 HydrophobicContact CG2-CE1 4.1Å; L284-F307 HydrophobicContact CD2-CZ 4.39Å; L293-F307 HydrophobicContact CD1-CE1 4.26Å; L293-F307 HydrophobicContact CD1-CZ 3.94Å; L295-F307 HydrophobicContact CD1-CD1 3.7Å; L295-F307 HydrophobicContact CD1-CE1 4.24Å; L295-F307 HydrophobicContact CD2-CD1 4.19Å; L295-F307 HydrophobicContact CD2-CE1 4.31Å; T303-F307 PolarHBondContact O-N 3.23Å; T303-F307 VanDerWaalsContact O-N 3.1Å; C304-F307 PolarHBondContact O-N 3.28Å; E305-F307 VanDerWaalsContact C-N 3.31Å; E305-F307 PolarHBondContact O-N 2.81Å; F307-R309 PolarHBondContact O-N 3.33Å; F307-L310 PolarHBondContact O-N 3.21Å; F307-C311 PolarHBondContact O-N 3.31Å; F307-C311 PolarHBondContact O-SG 3.38Å; F307-Y316 AromaticContact CD2-CE2 3.88Å; F307-Y316 HydrophobicContact CD2-CE2 3.88Å; F307-Y316 AromaticContact CE2-CE2 3.87Å; F307-Y316 HydrophobicContact CE2-CE2 3.87Å; F307-F380 HydrophobicContact CD2-CD1 4.39Å; F307-F380 AromaticContact CE2-CD1 3.87Å; F307-F380 HydrophobicContact CE2-CD1 3.87Å; F307-F380 AromaticContact CE2-CE1 3.78Å; F307-F380 HydrophobicContact CE2-CE1 3.78Å; F307-F380 HydrophobicContact CE2-CG 4.37Å; F307-F380 HydrophobicContact CE2-CZ 4.2Å; F307-F397 HydrophobicContact CB-CE2 3.84Å; F307-F397 HydrophobicContact CB-CZ 4.47Å; F307-F397 HydrophobicContact CD1-CE2 4.09Å; F307-F397 AromaticContact CD2-CE2 3.84Å; F307-F397 HydrophobicContact CD2-CE2 3.84Å; F307-F397 AromaticContact CD2-CZ 3.87Å; F307-F397 HydrophobicContact CD2-CZ 3.87Å; F307-F397 HydrophobicContact CE2-CE2 4.4Å; F307-F397 HydrophobicContact CE2-CZ 4.3Å; F307-F397 AromaticContact CG-CE2 3.65Å; F307-F397 HydrophobicContact CG-CE2 3.65Å; F307-F397 HydrophobicContact CG-CZ 4.16Å
308	I	92.4	Very high	91.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-43.7	179.6	-69.7	-176.4	0	0	0	111	V282 L295 C304 E305 L310 C311 K312 V433 D436 Y438	V282-I308 HydrophobicContact CG2-CG1 4.37Å; L295-I308 HydrophobicContact CD1-CD1 4.01Å; L295-I308 HydrophobicContact CD1-CG1 3.69Å; C304-I308 WeakPolarHBondContact O-CG1 3.41Å; C304-I308 PolarHBondContact O-N 3.47Å; E305-I308 PolarHBondContact O-N 2.54Å; I308-L310 PolarHBondContact O-N 3.44Å; I308-C311 WeakPolarHBondContact O-CB 3.34Å; I308-C311 PolarHBondContact O-N 2.82Å; I308-K312 HydrophobicContact CG2-CD 4.42Å; I308-K312 PolarHBondContact O-N 2.94Å; I308-V433 HydrophobicContact CG2-CG1 4.11Å; I308-V433 HydrophobicContact CG2-CG2 4.36Å; I308-D436 WeakPolarHBondContact CG2-OD2 3.15Å; I308-Y438 HydrophobicContact CD1-CD2 4.03Å; I308-Y438 HydrophobicContact CD1-CE2 3.86Å
309	R	91.8	Very high	92	Very high	51 Å²	51	31.6 Å²	31.6	19%	0.192	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-37.5	179.3	-71.6	-176.1	172.1	-174	-1.5	112.5	R272 E305 F307 K312 K313 Y345	R272-R309 VanDerWaalsContact NH1-NH2 3.14Å; E305-R309 HydrophobicContact CG-CG 4.2Å; E305-R309 VanDerWaalsContact O-CB 3.31Å; E305-R309 WeakPolarHBondContact O-CB 3.19Å; E305-R309 VanDerWaalsContact O-CG 3.28Å; E305-R309 WeakPolarHBondContact O-CG 3.38Å; E305-R309 PolarHBondContact O-N 2.76Å; E305-R309 IonicContact OE1-CZ 4Å; E305-R309 IonicContact OE1-NE 3.25Å; E305-R309 PolarHBondContact OE1-NE 3.47Å; E305-R309 IonicContact OE1-NH1 3.81Å; E305-R309 IonicContact OE1-NH2 3.72Å; E305-R309 PolarHBondContact OE1-NH2 3.08Å; F307-R309 PolarHBondContact O-N 3.33Å; R309-K312 PolarHBondContact O-N 3.38Å; R309-K313 WeakPolarHBondContact O-CB 3.31Å; R309-K313 PolarHBondContact O-N 3.19Å; R309-Y345 HydrophobicContact CB-CD2 3.44Å; R309-Y345 VanDerWaalsContact CB-CD2 3.44Å; R309-Y345 HydrophobicContact CB-CE2 3.76Å; R309-Y345 HydrophobicContact CB-CG 3.95Å; R309-Y345 HydrophobicContact CG-CD2 4.25Å; R309-Y345 HydrophobicContact CG-CE2 4.22Å
310	L	93.6	Very high	92.3	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-65.7	-39.5	173.4	-71.7	174.2	0	0	0	111.5	N306 F307 I308 K313 H314 Y315 Y316	N306-L310 WeakPolarHBondContact O-CB 3.1Å; N306-L310 WeakPolarHBondContact O-CG 3.48Å; N306-L310 PolarHBondContact O-N 2.79Å; F307-L310 PolarHBondContact O-N 3.21Å; I308-L310 PolarHBondContact O-N 3.44Å; L310-K313 PolarHBondContact O-N 3.13Å; L310-H314 PolarHBondContact O-N 3.17Å; L310-Y315 HydrophobicContact CD2-CD1 3.99Å; L310-Y315 HydrophobicContact CD2-CD2 4.1Å; L310-Y315 HydrophobicContact CD2-CE1 4.48Å; L310-Y315 HydrophobicContact CD2-CG 3.76Å; L310-Y315 VanDerWaalsContact O-CB 3.28Å; L310-Y315 WeakPolarHBondContact O-CB 3.28Å; L310-Y315 PolarHBondContact O-N 3.04Å; L310-Y316 HydrophobicContact CB-CD2 4.26Å; L310-Y316 HydrophobicContact CB-CE2 3.59Å; L310-Y316 HydrophobicContact CD1-CE2 4.36Å; L310-Y316 WeakPolarHBondContact CD1-OH 3.47Å
311	C	92.5	Very high	92.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-47.2	172.9	-65.1	0	0	0	0	111.5	F307 I308 K313 H314 T431 V433	F307-C311 PolarHBondContact O-N 3.31Å; F307-C311 PolarHBondContact O-SG 3.38Å; I308-C311 WeakPolarHBondContact O-CB 3.34Å; I308-C311 PolarHBondContact O-N 2.82Å; C311-K313 VanDerWaalsContact C-N 3.3Å; C311-K313 PolarHBondContact O-N 2.82Å; C311-H314 WeakPolarHBondContact O-CA 3.42Å; C311-H314 PolarHBondContact O-N 2.92Å; C311-T431 WeakPolarHBondContact CA-OG1 3Å; C311-T431 WeakPolarHBondContact CB-OG1 3.42Å; C311-T431 PolarHBondContact O-OG1 3.45Å; C311-V433 HydrophobicContact CB-CG2 3.83Å
312	K	90.6	Very high	92.6	Very high	80 Å²	80	31.9 Å²	31.9	35%	0.348	16%	0.157	S	C	.	.	H	α-helix	trans	-61.9	-34.2	177.2	-77	-174.3	163.1	-176.3	0	113.7	I308 R309 H314 V433 D436 E439	I308-K312 HydrophobicContact CG2-CD 4.42Å; I308-K312 PolarHBondContact O-N 2.94Å; R309-K312 PolarHBondContact O-N 3.38Å; K312-H314 PolarHBondContact O-CE1 3.24Å; K312-H314 PolarHBondContact O-N 2.85Å; K312-H314 PolarHBondContact O-ND1 3.42Å; K312-V433 HydrophobicContact CG-CG2 4.18Å; K312-D436 WeakPolarHBondContact CE-OD2 3.41Å; K312-D436 IonicContact NZ-OD2 2.92Å; K312-D436 PolarHBondContact NZ-OD2 3.29Å; K312-E439 IonicContact NZ-OE1 3.29Å; K312-E439 PolarHBondContact NZ-OE1 3.41Å; K312-E439 IonicContact NZ-OE2 3.28Å
313	K	91.4	Very high	92.8	Very high	125 Å²	125	33.7 Å²	33.7	54%	0.543	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	1.2	173.4	-78.9	-179.3	166.1	175.2	0	113.5	R309 L310 C311 Y315 Y345	R309-K313 WeakPolarHBondContact O-CB 3.31Å; R309-K313 PolarHBondContact O-N 3.19Å; L310-K313 PolarHBondContact O-N 3.13Å; C311-K313 VanDerWaalsContact C-N 3.3Å; C311-K313 PolarHBondContact O-N 2.82Å; K313-Y315 PolarHBondContact O-N 2.78Å; K313-Y345 HydrophobicContact CD-CD2 4Å; K313-Y345 HydrophobicContact CD-CE2 3.87Å
314	H	92.3	Very high	92.8	Very high	117 Å²	117	33.8 Å²	33.8	54%	0.542	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	27	-176.3	-55.9	73.9	0	0	0	112.3	L310 C311 K312 Y316 N317	L310-H314 PolarHBondContact O-N 3.17Å; C311-H314 WeakPolarHBondContact O-CA 3.42Å; C311-H314 PolarHBondContact O-N 2.92Å; K312-H314 PolarHBondContact O-CE1 3.24Å; K312-H314 PolarHBondContact O-N 2.85Å; K312-H314 PolarHBondContact O-ND1 3.42Å; H314-Y316 VanDerWaalsContact C-N 3.26Å; H314-Y316 PolarHBondContact O-N 2.82Å; H314-N317 HydrophobicContact CB-CB 4.44Å; H314-N317 PolarHBondContact CD2-ND2 3.04Å; H314-N317 WeakPolarHBondContact O-CB 2.98Å; H314-N317 PolarHBondContact O-N 2.81Å
315	Y	93.5	Very high	92.8	Very high	63 Å²	63	35.8 Å²	35.8	25%	0.247	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.6	-175.7	-174.1	-94.7	0	0	0	112.6	L310 K313 T319 P335 G342 E343	L310-Y315 HydrophobicContact CD2-CD1 3.99Å; L310-Y315 HydrophobicContact CD2-CD2 4.1Å; L310-Y315 HydrophobicContact CD2-CE1 4.48Å; L310-Y315 HydrophobicContact CD2-CG 3.76Å; L310-Y315 VanDerWaalsContact O-CB 3.28Å; L310-Y315 WeakPolarHBondContact O-CB 3.28Å; L310-Y315 PolarHBondContact O-N 3.04Å; K313-Y315 PolarHBondContact O-N 2.78Å; Y315-T319 WeakPolarHBondContact O-CG2 3.19Å; Y315-P335 HydrophobicContact CE1-CG 4.03Å; Y315-P335 HydrophobicContact CE2-CG 4.42Å; Y315-P335 WeakPolarHBondContact OH-CG 3.2Å; Y315-G342 WeakPolarHBondContact OH-CA 3.26Å; Y315-E343 PolarHBondContact OH-N 2.94Å
316	Y	94.3	Very high	92.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-3	179.6	-63.1	-58.5	0	0	0	113.6	F307 L310 H314 G318 T319 S378 F380	F307-Y316 AromaticContact CD2-CE2 3.88Å; F307-Y316 HydrophobicContact CD2-CE2 3.88Å; F307-Y316 AromaticContact CE2-CE2 3.87Å; F307-Y316 HydrophobicContact CE2-CE2 3.87Å; L310-Y316 HydrophobicContact CB-CD2 4.26Å; L310-Y316 HydrophobicContact CB-CE2 3.59Å; L310-Y316 HydrophobicContact CD1-CE2 4.36Å; L310-Y316 WeakPolarHBondContact CD1-OH 3.47Å; H314-Y316 VanDerWaalsContact C-N 3.26Å; H314-Y316 PolarHBondContact O-N 2.82Å; Y316-G318 PolarHBondContact O-N 3.31Å; Y316-T319 WeakPolarHBondContact O-CB 3.46Å; Y316-T319 WeakPolarHBondContact O-CG2 3.48Å; Y316-T319 PolarHBondContact O-N 2.87Å; Y316-T319 VanDerWaalsContact O-N 3.14Å; Y316-T319 PolarHBondContact O-OG1 3.1Å; Y316-S378 WeakPolarHBondContact CE1-O 3.32Å; Y316-S378 PolarHBondContact OH-O 3.07Å; Y316-F380 HydrophobicContact CD1-CE1 4.11Å; Y316-F380 HydrophobicContact CE1-CD1 4.15Å; Y316-F380 AromaticContact CE1-CE1 3.77Å; Y316-F380 HydrophobicContact CE1-CE1 3.77Å; Y316-F380 HydrophobicContact CE2-CE1 4.49Å; Y316-F380 AromaticContact CZ-CE1 3.96Å
317	N	93.2	Very high	92.6	Very high	56 Å²	56	47.5 Å²	47.5	30%	0.299	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	129.1	179.8	-69.8	20	0	0	0	110.5	H314 T319 T431	H314-N317 HydrophobicContact CB-CB 4.44Å; H314-N317 PolarHBondContact CD2-ND2 3.04Å; H314-N317 WeakPolarHBondContact O-CB 2.98Å; H314-N317 PolarHBondContact O-N 2.81Å; N317-T319 PolarHBondContact O-N 3.24Å; N317-T431 PolarHBondContact OD1-N 2.93Å
318	G	91.1	Very high	92.4	Very high	50 Å²	50	50.8 Å²	50.8	52%	0.515	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	4.4	-174.2	0	0	0	0	0	114.4	Y316 I428	Y316-G318 PolarHBondContact O-N 3.31Å; G318-I428 WeakPolarHBondContact CA-O 3.35Å; G318-I428 PolarHBondContact N-O 2.81Å
319	T	94.5	Very high	92.5	Very high	6 Å²	6	51 Å²	51	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140	179.1	65	0	0	0	0	111.4	Y315 Y316 N317 P335 R427 I428	Y315-T319 WeakPolarHBondContact O-CG2 3.19Å; Y316-T319 WeakPolarHBondContact O-CB 3.46Å; Y316-T319 WeakPolarHBondContact O-CG2 3.48Å; Y316-T319 PolarHBondContact O-N 2.87Å; Y316-T319 VanDerWaalsContact O-N 3.14Å; Y316-T319 PolarHBondContact O-OG1 3.1Å; N317-T319 PolarHBondContact O-N 3.24Å; T319-P335 HydrophobicContact CG2-CB 4.32Å; T319-R427 WeakPolarHBondContact O-CA 3.13Å; T319-I428 PolarHBondContact O-N 3.41Å
320	I	94.4	Very high	92.6	Very high	48 Å²	48	48.6 Å²	48.6	25%	0.246	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	153.4	-179	65.4	169.3	0	0	0	111.8	H322 E425 I426 R427	I320-H322 HydrophobicContact CD1-CB 4.37Å; I320-H322 HydrophobicContact CG1-CB 4.36Å; I320-H322 PolarHBondContact O-N 3.03Å; I320-E425 HydrophobicContact CB-CG 4.42Å; I320-E425 HydrophobicContact CG2-CG 3.63Å; I320-I426 CarbonylContact C-O 3.6Å; I320-I426 WeakPolarHBondContact CA-O 3.42Å; I320-R427 HydrophobicContact CG2-CB 4.18Å
321	F	94.5	Very high	92.6	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.013	23%	0.234	C	C	.	.			trans	-81.3	94.9	163	-68	-84.2	0	0	0	108.8	T286 R323 I330 Q331 F380 M410 P422 I426 I428	T286-F321 HydrophobicContact CG2-CE2 4.37Å; F321-R323 VanDerWaalsContact C-N 3.3Å; F321-R323 PolarHBondContact O-N 2.98Å; F321-I330 HydrophobicContact CB-CD1 4.03Å; F321-I330 HydrophobicContact CB-CG1 3.97Å; F321-I330 HydrophobicContact CD1-CD1 4.15Å; F321-I330 HydrophobicContact CD1-CG1 3.7Å; F321-I330 HydrophobicContact CE1-CG1 4.48Å; F321-I330 HydrophobicContact CG-CD1 4.04Å; F321-I330 HydrophobicContact CG-CG1 4.01Å; F321-Q331 CarbonylContact C-O 3.59Å; F321-Q331 WeakPolarHBondContact CA-O 3.21Å; F321-F380 HydrophobicContact CE1-CE2 4.32Å; F321-M410 HydrophobicContact CD1-CE 4.36Å; F321-M410 HydrophobicContact CD2-CE 3.54Å; F321-M410 HydrophobicContact CE1-CE 4.17Å; F321-M410 HydrophobicContact CE2-CE 3.31Å; F321-M410 HydrophobicContact CG-CE 4.06Å; F321-M410 HydrophobicContact CZ-CE 3.65Å; F321-P422 WeakPolarHBondContact O-CD 3.48Å; F321-P422 WeakPolarHBondContact O-CG 3.14Å; F321-I426 HydrophobicContact CB-CB 4.35Å; F321-I426 HydrophobicContact CD2-CB 4.08Å; F321-I426 HydrophobicContact CD2-CG2 3.67Å; F321-I426 HydrophobicContact CE2-CG2 4.24Å; F321-I426 PolarHBondContact N-O 3.25Å; F321-I428 HydrophobicContact CE2-CD1 4.05Å; F321-I428 HydrophobicContact CE2-CG1 3.64Å; F321-I428 HydrophobicContact CZ-CD1 3.87Å; F321-I428 HydrophobicContact CZ-CG1 3.96Å
322	H	92.9	Very high	92.7	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.056	23%	0.234	C	C	.	.			trans	-80	-9	-173.5	63	-91.6	0	0	0	113.6	I320 Q331 G337 G339 R421	I320-H322 HydrophobicContact CD1-CB 4.37Å; I320-H322 HydrophobicContact CG1-CB 4.36Å; I320-H322 PolarHBondContact O-N 3.03Å; H322-Q331 PolarHBondContact N-O 2.92Å; H322-G337 WeakPolarHBondContact CB-O 3.32Å; H322-G339 WeakPolarHBondContact NE2-CA 3.37Å; H322-R421 WeakPolarHBondContact O-CG 3.31Å
323	R	93.3	Very high	92.7	Very high	88 Å²	88	45.6 Å²	45.6	33%	0.332	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	124.2	178.4	178	179.5	-169.2	-154.7	4.7	110.7	F321 Q331 D420	F321-R323 VanDerWaalsContact C-N 3.3Å; F321-R323 PolarHBondContact O-N 2.98Å; R323-Q331 HydrophobicContact CB-CB 4.19Å; R323-Q331 PolarHBondContact O-N 3.33Å; R323-D420 CarbonylContact C-O 3.47Å; R323-D420 WeakPolarHBondContact CA-O 3.33Å; R323-D420 HydrophobicContact CG-CB 3.84Å; R323-D420 IonicContact NE-OD2 3.5Å; R323-D420 IonicContact NH2-OD2 2.94Å
324	S	93.3	Very high	92.8	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	118.8	177	-172.8	0	0	0	0	110	S415 D420	S324-S415 WeakPolarHBondContact O-CB 3.26Å; S324-S415 PolarHBondContact O-OG 3Å; S324-D420 PolarHBondContact N-O 2.97Å
325	I	91.6	Very high	92.7	Very high	41 Å²	41	37.1 Å²	37.1	21%	0.21	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.2	176.1	-59.6	170.7	0	0	0	107.7	F328 V329 D420	I325-F328 HydrophobicContact CB-CB 3.99Å; I325-F328 HydrophobicContact CB-CD1 4.17Å; I325-F328 HydrophobicContact CD1-CD1 3.96Å; I325-F328 HydrophobicContact CG2-CB 3.65Å; I325-F328 HydrophobicContact CG2-CD1 4.2Å; I325-F328 HydrophobicContact CG2-CG 4.37Å; I325-F328 PolarHBondContact O-N 3.48Å; I325-V329 PolarHBondContact N-O 3.4Å; I325-V329 PolarHBondContact O-N 3.4Å; I325-D420 HydrophobicContact CG1-CB 4.08Å
326	R	89.6	Confident	92.5	Very high	168 Å²	168	38.1 Å²	38.1	63%	0.634	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	139.1	-180	-167.3	174.8	-178.5	179.4	2.8	111	F328 E411	R326-F328 PolarHBondContact O-N 3.11Å; R326-F328 VanDerWaalsContact O-N 3.11Å; R326-E411 HydrophobicContact CG-CG 3.96Å
327	N	89.1	Confident	92.2	Very high	79 Å²	79	38.4 Å²	38.4	42%	0.422	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	4.2	-174.1	-69	-70.6	0	0	0	116.4	R385 E411	N327-R385 WeakPolarHBondContact O-CB 3.44Å; N327-R385 PolarHBondContact OD1-NH2 2.72Å; N327-E411 WeakPolarHBondContact CA-OE1 3.38Å; N327-E411 PolarHBondContact N-OE1 3.13Å
328	F	91.3	Very high	91.9	Very high	71 Å²	71	40.1 Å²	40.1	31%	0.311	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-87.7	-178.7	-173.4	-126.5	0	0	0	111.1	I325 R326 F384 C387 L390	I325-F328 HydrophobicContact CB-CB 3.99Å; I325-F328 HydrophobicContact CB-CD1 4.17Å; I325-F328 HydrophobicContact CD1-CD1 3.96Å; I325-F328 HydrophobicContact CG2-CB 3.65Å; I325-F328 HydrophobicContact CG2-CD1 4.2Å; I325-F328 HydrophobicContact CG2-CG 4.37Å; I325-F328 PolarHBondContact O-N 3.48Å; R326-F328 PolarHBondContact O-N 3.11Å; R326-F328 VanDerWaalsContact O-N 3.11Å; F328-F384 PolarHBondContact O-N 2.92Å; F328-C387 HydrophobicContact CE2-CB 4.38Å; F328-L390 HydrophobicContact CE2-CD1 4.25Å; F328-L390 HydrophobicContact CZ-CD1 4.2Å; F328-L390 HydrophobicContact CZ-CD2 4.34Å
329	V	93.6	Very high	91.5	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.6	-177.4	-54.7	0	0	0	0	111.5	I325 F381 I382 T383 L390	I325-V329 PolarHBondContact N-O 3.4Å; I325-V329 PolarHBondContact O-N 3.4Å; V329-F381 HydrophobicContact CB-CB 4.36Å; V329-F381 HydrophobicContact CB-CD2 3.94Å; V329-F381 HydrophobicContact CB-CG 4.46Å; V329-F381 HydrophobicContact CG1-CD2 3.68Å; V329-F381 HydrophobicContact CG1-CE2 4.01Å; V329-I382 VanDerWaalsContact CA-O 3.3Å; V329-I382 WeakPolarHBondContact CA-O 3.34Å; V329-T383 HydrophobicContact CG1-CG2 4.1Å; V329-L390 HydrophobicContact CG1-CD1 4.29Å
330	I	93.9	Very high	91.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.3	165.1	-173.9	163	0	0	0	109.2	F321 F381 I382 F384 L407 M410 I426	F321-I330 HydrophobicContact CB-CD1 4.03Å; F321-I330 HydrophobicContact CB-CG1 3.97Å; F321-I330 HydrophobicContact CD1-CD1 4.15Å; F321-I330 HydrophobicContact CD1-CG1 3.7Å; F321-I330 HydrophobicContact CE1-CG1 4.48Å; F321-I330 HydrophobicContact CG-CD1 4.04Å; F321-I330 HydrophobicContact CG-CG1 4.01Å; I330-F381 CarbonylContact O-C 3.43Å; I330-F381 WeakPolarHBondContact O-CA 3.41Å; I330-F381 VanDerWaalsContact O-CB 3.29Å; I330-F381 WeakPolarHBondContact O-CB 3.22Å; I330-I382 HydrophobicContact CG2-CB 3.91Å; I330-I382 PolarHBondContact N-O 2.9Å; I330-I382 PolarHBondContact O-N 3.46Å; I330-F384 HydrophobicContact CB-CE2 3.79Å; I330-F384 HydrophobicContact CB-CZ 3.59Å; I330-F384 HydrophobicContact CD1-CZ 4.35Å; I330-F384 HydrophobicContact CG2-CE1 4.05Å; I330-F384 HydrophobicContact CG2-CE2 4.13Å; I330-F384 HydrophobicContact CG2-CZ 3.58Å; I330-L407 HydrophobicContact CG2-CD1 4.39Å; I330-M410 HydrophobicContact CD1-CB 4.02Å; I330-M410 HydrophobicContact CD1-CE 3.65Å; I330-I426 HydrophobicContact CD1-CD1 4.15Å
331	Q	94.8	Very high	90.8	Very high	22 Å²	22	45 Å²	45	10%	0.103	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.5	-172.5	178.5	-179.3	-17.7	0	0	110.8	F321 H322 R323 F380 F381	F321-Q331 CarbonylContact C-O 3.59Å; F321-Q331 WeakPolarHBondContact CA-O 3.21Å; H322-Q331 PolarHBondContact N-O 2.92Å; R323-Q331 HydrophobicContact CB-CB 4.19Å; R323-Q331 PolarHBondContact O-N 3.33Å; Q331-F380 WeakPolarHBondContact CA-O 3.22Å; Q331-F381 HydrophobicContact CB-CB 3.95Å; Q331-F381 HydrophobicContact CG-CB 4.36Å
332	G	93.6	Very high	90.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-165.3	-178.2	0	0	0	0	0	112.1	Q379 F380	G332-Q379 WeakPolarHBondContact O-CA 3.36Å; G332-F380 PolarHBondContact N-O 2.91Å; G332-F380 PolarHBondContact O-N 3.21Å; G332-F380 VanDerWaalsContact O-O 3.14Å
333	G	91.3	Very high	90.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.			trans	82.5	20.1	177.9	0	0	0	0	0	115.1	S378	G333-S378 CarbonylContact O-C 3.59Å; G333-S378 WeakPolarHBondContact O-CB 3.47Å; G333-S378 PolarHBondContact O-OG 3.48Å
334	D	92.6	Very high	90.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-105.3	114.5	168.6	-177.3	-0.6	0	0	0	109.7	T336 G337 T338 G339 M340 G341 Q379	D334-T336 PolarHBondContact O-N 3.27Å; D334-T336 WeakPolarHBondContact OD1-CB 3.36Å; D334-T336 PolarHBondContact OD1-N 2.78Å; D334-T336 PolarHBondContact OD1-OG1 3.08Å; D334-T336 PolarHBondContact OD2-OG1 3.48Å; D334-G337 PolarHBondContact O-N 3.02Å; D334-T338 PolarHBondContact OD2-N 3.24Å; D334-T338 PolarHBondContact OD2-OG1 3.21Å; D334-G339 WeakPolarHBondContact OD2-CA 3.45Å; D334-G339 PolarHBondContact OD2-N 2.91Å; D334-M340 PolarHBondContact OD2-N 2.75Å; D334-G341 VanDerWaalsContact OD1-CA 3.27Å; D334-G341 WeakPolarHBondContact OD1-CA 3.32Å; D334-G341 PolarHBondContact OD2-N 2.94Å; D334-G341 VanDerWaalsContact OD2-N 3.09Å; D334-Q379 HydrophobicContact CB-CG 4.15Å
335	P	90.4	Very high	90.2	Very high	63 Å²	63	50.5 Å²	50.5	41%	0.409	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.2	177.8	31.1	-38	0	0	0	113.5	Y315 T319 G337	Y315-P335 HydrophobicContact CE1-CG 4.03Å; Y315-P335 HydrophobicContact CE2-CG 4.42Å; Y315-P335 WeakPolarHBondContact OH-CG 3.2Å; T319-P335 HydrophobicContact CG2-CB 4.32Å; P335-G337 VanDerWaalsContact C-N 3.31Å
336	T	90.1	Very high	90	Very high	83 Å²	83	52.2 Å²	52.2	51%	0.509	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-17.2	176.6	70.5	0	0	0	0	112.3	D334 T338	D334-T336 PolarHBondContact O-N 3.27Å; D334-T336 WeakPolarHBondContact OD1-CB 3.36Å; D334-T336 PolarHBondContact OD1-N 2.78Å; D334-T336 PolarHBondContact OD1-OG1 3.08Å; D334-T336 PolarHBondContact OD2-OG1 3.48Å; T336-T338 PolarHBondContact O-N 3Å; T336-T338 VanDerWaalsContact O-N 3.11Å; T336-T338 PolarHBondContact OG1-N 3.05Å; T336-T338 PolarHBondContact OG1-OG1 2.93Å
337	G	86.3	Confident	89.8	Confident	7 Å²	7	46.5 Å²	46.5	7%	0.072	26%	0.26	C	S	.	.	S	Bend	trans	66.8	1.2	-174.8	0	0	0	0	0	115	H322 D334 P335 R421	H322-G337 WeakPolarHBondContact CB-O 3.32Å; D334-G337 PolarHBondContact O-N 3.02Å; P335-G337 VanDerWaalsContact C-N 3.31Å; G337-R421 PolarHBondContact O-NH2 3.01Å
338	T	86.9	Confident	89.9	Confident	91 Å²	91	50.6 Å²	50.6	56%	0.558	27%	0.274	S	S	*	.	S	Bend	trans	-78.3	-24.5	-175.1	61.5	0	0	0	0	113.5	D334 T336 M340	D334-T338 PolarHBondContact OD2-N 3.24Å; D334-T338 PolarHBondContact OD2-OG1 3.21Å; T336-T338 PolarHBondContact O-N 3Å; T336-T338 VanDerWaalsContact O-N 3.11Å; T336-T338 PolarHBondContact OG1-N 3.05Å; T336-T338 PolarHBondContact OG1-OG1 2.93Å; T338-M340 PolarHBondContact OG1-N 3.31Å
339	G	83.9	Confident	89.9	Confident	22 Å²	22	50.8 Å²	50.8	23%	0.227	28%	0.283	C	S	.	.	S	Bend	trans	94.6	-9.1	-175.6	0	0	0	0	0	114.2	H322 D334 Q379	H322-G339 WeakPolarHBondContact NE2-CA 3.37Å; D334-G339 WeakPolarHBondContact OD2-CA 3.45Å; D334-G339 PolarHBondContact OD2-N 2.91Å; G339-Q379 PolarHBondContact O-NE2 3.49Å; G339-Q379 PolarHBondContact O-OE1 2.79Å
340	M	85.8	Confident	89.8	Confident	171 Å²	171	50.7 Å²	50.7	84%	0.842	28%	0.282	S	S	*	.	S	Bend	trans	-109.7	-9.3	177.3	-63.5	-174.3	180	0	0	113.3	D334 T338	D334-M340 PolarHBondContact OD2-N 2.75Å; T338-M340 PolarHBondContact OG1-N 3.31Å
341	G	87.1	Confident	89.8	Confident	15 Å²	15	56 Å²	56	16%	0.155	31%	0.305	C	S	.	.			trans	-83.5	-171	-175.7	0	0	0	0	0	113.6	D334 Q379	D334-G341 VanDerWaalsContact OD1-CA 3.27Å; D334-G341 WeakPolarHBondContact OD1-CA 3.32Å; D334-G341 PolarHBondContact OD2-N 2.94Å; D334-G341 VanDerWaalsContact OD2-N 3.09Å; G341-Q379 PolarHBondContact O-NE2 2.81Å
342	G	87.4	Confident	89.7	Confident	8 Å²	8	56 Å²	56	8%	0.082	31%	0.305	C	S	.	.			trans	99.5	141.7	178.9	0	0	0	0	0	113.5	Y315 K377 S378	Y315-G342 WeakPolarHBondContact OH-CA 3.26Å; G342-K377 WeakPolarHBondContact O-CD 3.22Å; G342-S378 WeakPolarHBondContact CA-OG 3.39Å
343	E	92	Very high	89.5	Confident	125 Å²	125	56.8 Å²	56.8	58%	0.584	31%	0.309	S	S	*	.			trans	-131	146.1	-179	-66.2	-172.4	164.2	0	0	109.8	Y315 S378	Y315-E343 PolarHBondContact OH-N 2.94Å; E343-S378 WeakPolarHBondContact O-CB 3.48Å
344	S	92.6	Very high	89.6	Confident	7 Å²	7	60.8 Å²	60.8	5%	0.049	33%	0.327	C	S	.	.			trans	-70.5	165	171.8	78.7	0	0	0	0	110.1	N306 W346 G347 K348	N306-S344 WeakPolarHBondContact OD1-CA 3.49Å; S344-W346 PolarHBondContact O-N 3Å; S344-W346 VanDerWaalsContact O-N 3.11Å; S344-W346 PolarHBondContact OG-N 3.44Å; S344-G347 PolarHBondContact O-N 3.47Å; S344-G347 PolarHBondContact OG-N 3.1Å; S344-K348 WeakPolarHBondContact CB-O 3.17Å; S344-K348 PolarHBondContact OG-O 3.05Å
345	Y	90.2	Very high	89.4	Confident	81 Å²	81	66.1 Å²	66.1	32%	0.318	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-32	172.6	176.9	-92.6	0	0	0	113.2	N306 R309 K313	N306-Y345 PolarHBondContact OD1-N 2.99Å; R309-Y345 HydrophobicContact CB-CD2 3.44Å; R309-Y345 VanDerWaalsContact CB-CD2 3.44Å; R309-Y345 HydrophobicContact CB-CE2 3.76Å; R309-Y345 HydrophobicContact CB-CG 3.95Å; R309-Y345 HydrophobicContact CG-CD2 4.25Å; R309-Y345 HydrophobicContact CG-CE2 4.22Å; K313-Y345 HydrophobicContact CD-CD2 4Å; K313-Y345 HydrophobicContact CD-CE2 3.87Å
346	W	87.2	Confident	89.3	Confident	77 Å²	77	69.5 Å²	69.5	29%	0.292	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.9	-179.4	-56.2	-82.6	0	0	0	113.6	K302 E305 N306 S344 K348 F350	K302-W346 HydrophobicContact CD-CH2 4.31Å; K302-W346 HydrophobicContact CG-CH2 3.43Å; K302-W346 VanDerWaalsContact CG-CH2 3.43Å; K302-W346 HydrophobicContact CG-CZ2 4.21Å; K302-W346 HydrophobicContact CG-CZ3 3.87Å; K302-W346 WeakPolarHBondContact O-CH2 3.17Å; E305-W346 WeakPolarHBondContact OE2-CZ2 3.4Å; N306-W346 HydrophobicContact CB-CH2 4.09Å; N306-W346 HydrophobicContact CB-CZ3 3.8Å; S344-W346 PolarHBondContact O-N 3Å; S344-W346 VanDerWaalsContact O-N 3.11Å; S344-W346 PolarHBondContact OG-N 3.44Å; W346-K348 PolarHBondContact O-N 3.42Å; W346-F350 HydrophobicContact CE3-CD1 4.35Å; W346-F350 HydrophobicContact CZ3-CB 4.35Å; W346-F350 HydrophobicContact CZ3-CD1 4.01Å; W346-F350 HydrophobicContact CZ3-CG 4.13Å
347	G	86.6	Confident	89.3	Confident	47 Å²	47	70.3 Å²	70.3	49%	0.485	37%	0.37	S	S	.	.	S	Bend	trans	72.5	-25.6	-174.2	0	0	0	0	0	114.8	S344	S344-G347 PolarHBondContact O-N 3.47Å; S344-G347 PolarHBondContact OG-N 3.1Å
348	K	89.8	Confident	89.5	Confident	165 Å²	165	71.6 Å²	71.6	72%	0.717	38%	0.375	S	S	*	.	S	Bend	trans	-98.6	146.6	177.1	-64.4	-178	-178.3	178.7	0	112.1	S344 W346	S344-K348 WeakPolarHBondContact CB-O 3.17Å; S344-K348 PolarHBondContact OG-O 3.05Å; W346-K348 PolarHBondContact O-N 3.42Å
349	P	91.4	Very high	89.7	Confident	75 Å²	75	69.5 Å²	69.5	49%	0.487	36%	0.364	S	S	.	.			trans	-57.8	148	171.1	-20.3	31.4	0	0	0	111.9	N376	P349-N376 VanDerWaalsContact CA-O 3.28Å; P349-N376 WeakPolarHBondContact CA-O 3.31Å
350	F	92.7	Very high	90.1	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.018	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-120	160.5	-179.1	68.5	-88.7	0	0	0	113.6	K302 T303 N306 W346 M368 N374 N376 K377	K302-F350 HydrophobicContact CD-CB 4.15Å; K302-F350 HydrophobicContact CD-CD2 4.26Å; K302-F350 HydrophobicContact CG-CD2 4.14Å; T303-F350 HydrophobicContact CG2-CE2 4.19Å; T303-F350 HydrophobicContact CG2-CZ 4.17Å; N306-F350 HydrophobicContact CB-CE1 4.09Å; N306-F350 HydrophobicContact CB-CZ 4.21Å; N306-F350 WeakPolarHBondContact ND2-CE1 3.27Å; W346-F350 HydrophobicContact CE3-CD1 4.35Å; W346-F350 HydrophobicContact CZ3-CB 4.35Å; W346-F350 HydrophobicContact CZ3-CD1 4.01Å; W346-F350 HydrophobicContact CZ3-CG 4.13Å; F350-M368 HydrophobicContact CE1-CE 4.36Å; F350-M368 HydrophobicContact CZ-CE 4.08Å; F350-N374 CarbonylContact O-C 3.42Å; F350-N374 VanDerWaalsContact O-C 3.25Å; F350-N376 HydrophobicContact CD1-CB 3.86Å; F350-N376 WeakPolarHBondContact CD1-O 3.32Å; F350-N376 HydrophobicContact CD2-CB 3.91Å; F350-N376 HydrophobicContact CE1-CB 3.51Å; F350-N376 HydrophobicContact CE2-CB 3.55Å; F350-N376 HydrophobicContact CG-CB 4.06Å; F350-N376 HydrophobicContact CZ-CB 3.35Å; F350-N376 PolarHBondContact N-O 3.07Å; F350-N376 PolarHBondContact O-N 2.78Å; F350-N376 PolarHBondContact O-ND2 2.71Å; F350-K377 WeakPolarHBondContact CE1-O 3.49Å
351	K	92.8	Very high	90.4	Very high	111 Å²	111	64.5 Å²	64.5	48%	0.483	34%	0.339	S	S	.	.			trans	-59.7	152.6	-175.7	66.7	177.9	-177.4	179.8	0	113.6	K302 N374 N376	K302-K351 HydrophobicContact CD-CG 4.33Å; K351-N374 VanDerWaalsContact CA-OD1 3.25Å; K351-N374 WeakPolarHBondContact CA-OD1 3.24Å; K351-N374 WeakPolarHBondContact CB-OD1 3.26Å; K351-N376 PolarHBondContact O-ND2 3.16Å
352	D	92.4	Very high	90.5	Very high	21 Å²	21	65.1 Å²	65.1	11%	0.112	35%	0.345	C	S	.	.			trans	-76.2	145.3	169.7	-66.4	-51.2	0	0	0	111.4	F354 N370 P373 N374 N376 T395	D352-F354 HydrophobicContact CB-CD2 4.17Å; D352-F354 HydrophobicContact CB-CE1 3.93Å; D352-F354 HydrophobicContact CB-CE2 3.51Å; D352-F354 HydrophobicContact CB-CZ 3.38Å; D352-N370 PolarHBondContact OD1-ND2 2.82Å; D352-P373 WeakPolarHBondContact OD2-CA 3.26Å; D352-N374 PolarHBondContact N-OD1 3.17Å; D352-N374 PolarHBondContact OD2-N 3.47Å; D352-N376 PolarHBondContact OD1-ND2 3.17Å; D352-N376 PolarHBondContact OD1-OD1 2.88Å; D352-T395 WeakPolarHBondContact CA-OG1 3.34Å; D352-T395 PolarHBondContact OD1-OG1 3.02Å
353	E	90.7	Very high	90.8	Very high	18 Å²	18	68.3 Å²	68.3	8%	0.084	36%	0.355	C	S	.	.			trans	-123	72.7	-179.3	-61.4	-176	133	0	0	110.6	T300 K302 T303 T395	T300-E353 VanDerWaalsContact CA-OE2 3.24Å; T300-E353 WeakPolarHBondContact CA-OE2 3.39Å; T300-E353 HydrophobicContact CG2-CB 3.93Å; T300-E353 WeakPolarHBondContact CG2-O 3.27Å; K302-E353 WeakPolarHBondContact CB-OE1 3.25Å; K302-E353 PolarHBondContact N-OE1 3.45Å; K302-E353 PolarHBondContact N-OE2 2.91Å; T303-E353 PolarHBondContact N-OE2 2.93Å; T303-E353 VanDerWaalsContact N-OE2 3.09Å; T303-E353 PolarHBondContact OG1-OE2 2.67Å; E353-T395 HydrophobicContact CB-CG2 3.85Å; E353-T395 PolarHBondContact N-OG1 3.27Å
354	F	91.5	Very high	90.8	Very high	85 Å²	85	62.4 Å²	62.4	37%	0.373	33%	0.327	S	S	.	.			trans	-77.9	134.2	178.8	-52.6	-53.6	0	0	0	112	D352 K392	D352-F354 HydrophobicContact CB-CD2 4.17Å; D352-F354 HydrophobicContact CB-CE1 3.93Å; D352-F354 HydrophobicContact CB-CE2 3.51Å; D352-F354 HydrophobicContact CB-CZ 3.38Å; F354-K392 VanDerWaalsContact CE1-C 3.45Å; F354-K392 WeakPolarHBondContact CE2-O 3.29Å; F354-K392 WeakPolarHBondContact CZ-O 3.36Å
355	R	89.4	Confident	90.9	Very high	112 Å²	112	63 Å²	63	42%	0.423	33%	0.33	S	S	.	.			trans	-125.8	142	175	-58.2	-65	-172.2	-177.9	3.5	110.8	L299 N357 L358	L299-R355 HydrophobicContact CB-CG 4.21Å; L299-R355 PolarHBondContact O-NE 2.83Å; L299-R355 PolarHBondContact O-NH2 3.42Å; R355-N357 WeakPolarHBondContact CB-OD1 3.4Å; R355-N357 PolarHBondContact O-N 2.8Å; R355-L358 HydrophobicContact CB-CB 4.41Å; R355-L358 HydrophobicContact CB-CD1 4.21Å; R355-L358 HydrophobicContact CB-CG 4.23Å; R355-L358 HydrophobicContact CG-CD1 4.35Å; R355-L358 PolarHBondContact O-N 3.21Å
356	P	87.9	Confident	91.2	Very high	134 Å²	134	59.2 Å²	59.2	87%	0.87	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-22	-176.7	28.7	-35.1	0	0	0	113.2
357	N	89.8	Confident	91.6	Very high	101 Å²	101	55.5 Å²	55.5	54%	0.54	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.3	178.3	60	-16.8	0	0	0	113.6	L299 R355	L299-N357 WeakPolarHBondContact CD1-ND2 3.34Å; R355-N357 WeakPolarHBondContact CB-OD1 3.4Å; R355-N357 PolarHBondContact O-N 2.8Å
358	L	90.6	Very high	92	Very high	33 Å²	33	53.3 Å²	53.3	17%	0.173	28%	0.278	C	S	.	.			trans	-108.1	116	177.5	-62.3	178.2	0	0	0	109	L299 T300 R355 I396	L299-L358 HydrophobicContact CB-CD1 4.15Å; L299-L358 HydrophobicContact CD1-CD1 3.91Å; L299-L358 HydrophobicContact CD1-CD2 3.99Å; L299-L358 HydrophobicContact CD1-CG 3.97Å; T300-L358 HydrophobicContact CG2-CD1 4.23Å; R355-L358 HydrophobicContact CB-CB 4.41Å; R355-L358 HydrophobicContact CB-CD1 4.21Å; R355-L358 HydrophobicContact CB-CG 4.23Å; R355-L358 HydrophobicContact CG-CD1 4.35Å; R355-L358 PolarHBondContact O-N 3.21Å; L358-I396 HydrophobicContact CB-CB 4.16Å; L358-I396 HydrophobicContact CB-CD1 4.05Å; L358-I396 HydrophobicContact CB-CG2 4.3Å; L358-I396 WeakPolarHBondContact CD1-O 3.36Å
359	S	92.6	Very high	92.2	Very high	47 Å²	47	46 Å²	46	33%	0.329	25%	0.248	S	C	.	.			trans	-131	157.5	173.3	61.7	0	0	0	0	109.9	T361 I396	S359-T361 PolarHBondContact O-N 2.8Å; S359-T361 PolarHBondContact OG-OG1 3.2Å; S359-I396 VanDerWaalsContact CA-CD1 3.5Å
360	H	92.6	Very high	92.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-76.7	55.4	174.7	-59.9	85.3	0	0	0	109.7	S367 S386 C387 L390 D391 I396	H360-S367 PolarHBondContact CD2-OG 2.98Å; H360-S367 VanDerWaalsContact CD2-OG 3.32Å; H360-S367 PolarHBondContact NE2-OG 3.34Å; H360-S386 CarbonylContact O-C 3.57Å; H360-S386 WeakPolarHBondContact O-CA 3.24Å; H360-C387 HydrophobicContact CB-CB 4.36Å; H360-C387 WeakPolarHBondContact CB-O 3.31Å; H360-C387 PolarHBondContact O-N 3.43Å; H360-L390 PolarHBondContact CE1-O 2.84Å; H360-L390 VanDerWaalsContact CE1-O 3.29Å; H360-D391 IonicContact CE1-OD1 2.95Å; H360-D391 IonicContact CG-OD1 3.87Å; H360-D391 PolarHBondContact N-OD1 3.47Å; H360-D391 IonicContact ND1-OD1 2.71Å; H360-D391 PolarHBondContact ND1-OD1 3.42Å; H360-I396 VanDerWaalsContact CE1-CG1 3.46Å; H360-I396 WeakPolarHBondContact CE1-CG1 3.49Å; H360-I396 WeakPolarHBondContact NE2-CG1 3Å
361	T	92.2	Very high	92.1	Very high	89 Å²	89	49.5 Å²	49.5	55%	0.546	27%	0.272	S	S	.	.			trans	-104.2	119.5	177.7	-54	0	0	0	0	108.8	S359	S359-T361 PolarHBondContact O-N 2.8Å; S359-T361 PolarHBondContact OG-OG1 3.2Å
362	G	88.6	Confident	92	Very high	28 Å²	28	45.5 Å²	45.5	29%	0.289	26%	0.263	S	S	.	.	S	Bend	trans	102.8	174.5	-177	0	0	0	0	0	113.5	T383 R385 S386	G362-T383 PolarHBondContact O-OG1 2.95Å; G362-R385 CarbonylContact O-C 3.53Å; G362-S386 PolarHBondContact N-OG 3.45Å; G362-S386 PolarHBondContact O-N 3.42Å
363	R	92.9	Very high	91.8	Very high	75 Å²	75	50.1 Å²	50.1	28%	0.283	29%	0.294	S	S	.	.	S	Bend	trans	-90.6	143.2	176.1	177	175.1	-175.3	87.8	-5.5	109.7	F384 L407 T408 E411	R363-F384 WeakPolarHBondContact CB-O 3.18Å; R363-F384 VanDerWaalsContact CG-O 3.3Å; R363-F384 WeakPolarHBondContact CG-O 3.14Å; R363-F384 VanDerWaalsContact NH1-CB 3.34Å; R363-F384 PolarHBondContact NH1-O 3.49Å; R363-L407 HydrophobicContact CG-CD2 4.08Å; R363-T408 PolarHBondContact NH2-OG1 3.36Å; R363-E411 IonicContact CZ-OE2 2.72Å; R363-E411 IonicContact NH1-OE2 2.64Å; R363-E411 PolarHBondContact NH1-OE2 3.34Å; R363-E411 IonicContact NH2-OE2 3.4Å; R363-E411 PolarHBondContact NH2-OE2 3.04Å
364	G	92.6	Very high	91.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	83	28	175.1	0	0	0	0	0	113.7	T383 R399 V400	G364-T383 WeakPolarHBondContact CA-O 3.4Å; G364-T383 PolarHBondContact N-O 3.43Å; G364-R399 CarbonylContact O-C 3.59Å; G364-R399 VanDerWaalsContact O-CA 3.24Å; G364-R399 WeakPolarHBondContact O-CA 3.38Å; G364-V400 PolarHBondContact O-N 2.84Å
365	I	95.4	Very high	91.8	Very high	21 Å²	21	50.8 Å²	50.8	11%	0.108	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.7	172.5	-54.9	-57.7	0	0	0	108.9	I382 T383 I396 R399	I365-I382 WeakPolarHBondContact O-CA 3.42Å; I365-T383 HydrophobicContact CB-CG2 4.27Å; I365-T383 WeakPolarHBondContact CB-OG1 3.35Å; I365-T383 PolarHBondContact N-OG1 3.45Å; I365-T383 VanDerWaalsContact N-OG1 3.07Å; I365-T383 PolarHBondContact O-N 3.25Å; I365-I396 HydrophobicContact CG2-CB 4.44Å; I365-I396 HydrophobicContact CG2-CD1 4.46Å; I365-I396 HydrophobicContact CG2-CG1 4.09Å; I365-I396 HydrophobicContact CG2-CG2 3.53Å; I365-R399 HydrophobicContact CD1-CB 4.4Å
366	L	95.4	Very high	92	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.2	-178.4	-177.6	72.4	0	0	0	110.2	L293 L295 F380 I382 F397 G398	L293-L366 HydrophobicContact CD1-CD2 3.98Å; L295-L366 HydrophobicContact CD2-CD2 3.78Å; L366-F380 HydrophobicContact CD1-CB 4.47Å; L366-F380 HydrophobicContact CD1-CD2 3.51Å; L366-F380 HydrophobicContact CD1-CE2 4.1Å; L366-F380 HydrophobicContact CD1-CG 4.28Å; L366-I382 HydrophobicContact CD1-CD1 4.41Å; L366-I382 HydrophobicContact CD1-CG1 3.68Å; L366-F397 HydrophobicContact CD1-CZ 4.15Å; L366-F397 HydrophobicContact CD2-CD2 4.06Å; L366-F397 HydrophobicContact CD2-CE1 4.17Å; L366-F397 HydrophobicContact CD2-CE2 3.35Å; L366-F397 HydrophobicContact CD2-CZ 3.43Å; L366-F397 VanDerWaalsContact CD2-CZ 3.43Å; L366-F397 HydrophobicContact CG-CD1 4.44Å; L366-F397 HydrophobicContact CG-CE1 3.78Å; L366-F397 HydrophobicContact CG-CE2 3.93Å; L366-F397 HydrophobicContact CG-CZ 3.49Å; L366-F397 VanDerWaalsContact CG-CZ 3.49Å; L366-F397 PolarHBondContact O-N 2.92Å; L366-G398 WeakPolarHBondContact CB-O 3.25Å; L366-G398 PolarHBondContact N-O 3.15Å; L366-G398 PolarHBondContact O-N 3.44Å
367	S	95.4	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.6	-174	-61.9	0	0	0	0	112.6	H360 F380 F381 T395 I396	H360-S367 PolarHBondContact CD2-OG 2.98Å; H360-S367 VanDerWaalsContact CD2-OG 3.32Å; H360-S367 PolarHBondContact NE2-OG 3.34Å; S367-F380 CarbonylContact O-C 3.56Å; S367-F380 VanDerWaalsContact O-CA 3.26Å; S367-F380 WeakPolarHBondContact O-CA 3.49Å; S367-F380 WeakPolarHBondContact O-CB 3.3Å; S367-F381 VanDerWaalsContact CB-CZ 3.41Å; S367-F381 PolarHBondContact N-O 3.03Å; S367-F381 PolarHBondContact O-N 3.33Å; S367-T395 CarbonylContact C-O 3.41Å; S367-T395 VanDerWaalsContact CA-O 3.27Å; S367-T395 WeakPolarHBondContact CA-O 3.45Å; S367-I396 VanDerWaalsContact OG-CG1 3.31Å; S367-I396 WeakPolarHBondContact OG-CG1 3.33Å
368	M	95.6	Very high	92.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	136.6	176.4	-68.6	-60.2	-63.8	0	0	112	T303 F350 N376 K377 Q379 F380 F381 H394 T395 F397	T303-M368 HydrophobicContact CG2-CG 3.32Å; T303-M368 HydrophobicContact CG2-SD 3.89Å; F350-M368 HydrophobicContact CE1-CE 4.36Å; F350-M368 HydrophobicContact CZ-CE 4.08Å; M368-N376 WeakPolarHBondContact CB-OD1 3.41Å; M368-N376 HydrophobicContact CE-CB 4.31Å; M368-K377 VanDerWaalsContact CE-O 3.28Å; M368-K377 WeakPolarHBondContact CE-O 3.35Å; M368-Q379 VanDerWaalsContact CE-O 3.29Å; M368-Q379 WeakPolarHBondContact CE-O 3.41Å; M368-F380 HydrophobicContact SD-CB 4.4Å; M368-F381 WeakPolarHBondContact O-CE1 3.35Å; M368-H394 WeakPolarHBondContact O-CB 3.09Å; M368-H394 PolarHBondContact O-ND1 2.92Å; M368-H394 VanDerWaalsContact O-ND1 3.15Å; M368-T395 PolarHBondContact N-O 2.91Å; M368-F397 HydrophobicContact CG-CD1 3.85Å; M368-F397 HydrophobicContact CG-CE1 3.83Å; M368-F397 HydrophobicContact SD-CD1 4.11Å; M368-F397 HydrophobicContact SD-CE1 3.56Å; M368-F397 VanDerWaalsContact SD-CE1 3.56Å; M368-F397 HydrophobicContact SD-CZ 4.07Å
369	A	94.3	Very high	92.7	Very high	12 Å²	12	37.3 Å²	37.3	10%	0.099	23%	0.229	C	C	.	.			trans	-81.2	139.1	166.4	0	0	0	0	0	109.8	Q379 F381	A369-Q379 HydrophobicContact CB-CB 3.81Å; A369-Q379 PolarHBondContact N-O 3.41Å; A369-F381 HydrophobicContact CB-CD1 4.23Å
370	N	93.1	Very high	92.8	Very high	33 Å²	33	35 Å²	35	18%	0.176	21%	0.213	C	C	.	.			trans	-141.7	164.4	-179.8	64.8	23	0	0	0	110.8	D352 K393 H394	D352-N370 PolarHBondContact OD1-ND2 2.82Å; N370-K393 PolarHBondContact ND2-O 2.83Å; N370-H394 PolarHBondContact OD1-CE1 3.19Å; N370-H394 PolarHBondContact OD1-ND1 3.44Å
371	S	89.1	Confident	93	Very high	119 Å²	119	35.4 Å²	35.4	83%	0.832	22%	0.215	S	C	*	.	S	Bend	trans	-111.3	20.9	178.3	-52.7	0	0	0	0	111.9	S375	S371-S375 PolarHBondContact N-OG 3.27Å
372	G	89.1	Confident	93.1	Very high	28 Å²	28	31.2 Å²	31.2	29%	0.289	19%	0.189	S	C	.	.	S	Bend	trans	140.2	177	-172.6	0	0	0	0	0	112.1	N374 S375	G372-N374 PolarHBondContact O-N 3Å; G372-S375 PolarHBondContact N-OG 2.9Å; G372-S375 PolarHBondContact O-N 2.99Å; G372-S375 PolarHBondContact O-OG 3.44Å
373	P	89.6	Confident	93.5	Very high	117 Å²	117	29.9 Å²	29.9	76%	0.76	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	135.5	-178.7	-23.4	33.9	0	0	0	112.4	D352 S375	D352-P373 WeakPolarHBondContact OD2-CA 3.26Å; P373-S375 VanDerWaalsContact C-N 3.3Å; P373-S375 PolarHBondContact O-N 2.99Å
374	N	89.3	Confident	93.5	Very high	92 Å²	92	26.7 Å²	26.7	49%	0.492	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	32.3	176.7	-57.5	-47.2	0	0	0	115.1	F350 K351 D352 G372	F350-N374 CarbonylContact O-C 3.42Å; F350-N374 VanDerWaalsContact O-C 3.25Å; K351-N374 VanDerWaalsContact CA-OD1 3.25Å; K351-N374 WeakPolarHBondContact CA-OD1 3.24Å; K351-N374 WeakPolarHBondContact CB-OD1 3.26Å; D352-N374 PolarHBondContact N-OD1 3.17Å; D352-N374 PolarHBondContact OD2-N 3.47Å; G372-N374 PolarHBondContact O-N 3Å
375	S	92.3	Very high	93.5	Very high	26 Å²	26	33.6 Å²	33.6	18%	0.182	19%	0.189	C	C	.	.			trans	-113.2	27.2	-177.3	68	0	0	0	0	114.1	S371 G372 P373	S371-S375 PolarHBondContact N-OG 3.27Å; G372-S375 PolarHBondContact N-OG 2.9Å; G372-S375 PolarHBondContact O-N 2.99Å; G372-S375 PolarHBondContact O-OG 3.44Å; P373-S375 VanDerWaalsContact C-N 3.3Å; P373-S375 PolarHBondContact O-N 2.99Å
376	N	93	Very high	93.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-68.3	136	-178.5	-59.8	-61.1	0	0	0	111.7	P349 F350 K351 D352 M368	P349-N376 VanDerWaalsContact CA-O 3.28Å; P349-N376 WeakPolarHBondContact CA-O 3.31Å; F350-N376 HydrophobicContact CD1-CB 3.86Å; F350-N376 WeakPolarHBondContact CD1-O 3.32Å; F350-N376 HydrophobicContact CD2-CB 3.91Å; F350-N376 HydrophobicContact CE1-CB 3.51Å; F350-N376 HydrophobicContact CE2-CB 3.55Å; F350-N376 HydrophobicContact CG-CB 4.06Å; F350-N376 HydrophobicContact CZ-CB 3.35Å; F350-N376 PolarHBondContact N-O 3.07Å; F350-N376 PolarHBondContact O-N 2.78Å; F350-N376 PolarHBondContact O-ND2 2.71Å; K351-N376 PolarHBondContact O-ND2 3.16Å; D352-N376 PolarHBondContact OD1-ND2 3.17Å; D352-N376 PolarHBondContact OD1-OD1 2.88Å; M368-N376 WeakPolarHBondContact CB-OD1 3.41Å; M368-N376 HydrophobicContact CE-CB 4.31Å
377	K	93.3	Very high	93.2	Very high	76 Å²	76	36.3 Å²	36.3	33%	0.33	21%	0.21	S	C	.	.			trans	-124.5	-116.8	179.2	-55.7	-169.9	-166.8	173	0	111.4	N306 G342 F350 M368	N306-K377 PolarHBondContact ND2-O 3.3Å; G342-K377 WeakPolarHBondContact O-CD 3.22Å; F350-K377 WeakPolarHBondContact CE1-O 3.49Å; M368-K377 VanDerWaalsContact CE-O 3.28Å; M368-K377 WeakPolarHBondContact CE-O 3.35Å
378	S	94.9	Very high	92.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-108.2	-18.8	175.4	60.8	0	0	0	0	114.3	Y316 G333 G342 E343	Y316-S378 WeakPolarHBondContact CE1-O 3.32Å; Y316-S378 PolarHBondContact OH-O 3.07Å; G333-S378 CarbonylContact O-C 3.59Å; G333-S378 WeakPolarHBondContact O-CB 3.47Å; G333-S378 PolarHBondContact O-OG 3.48Å; G342-S378 WeakPolarHBondContact CA-OG 3.39Å; E343-S378 WeakPolarHBondContact O-CB 3.48Å
379	Q	95.1	Very high	92.7	Very high	20 Å²	20	48.6 Å²	48.6	9%	0.093	27%	0.273	C	S	.	.			trans	-72.6	138.4	-173.4	-64.2	-170.4	22.3	0	0	111.4	G332 D334 G339 G341 M368 A369	G332-Q379 WeakPolarHBondContact O-CA 3.36Å; D334-Q379 HydrophobicContact CB-CG 4.15Å; G339-Q379 PolarHBondContact O-NE2 3.49Å; G339-Q379 PolarHBondContact O-OE1 2.79Å; G341-Q379 PolarHBondContact O-NE2 2.81Å; M368-Q379 VanDerWaalsContact CE-O 3.29Å; M368-Q379 WeakPolarHBondContact CE-O 3.41Å; A369-Q379 HydrophobicContact CB-CB 3.81Å; A369-Q379 PolarHBondContact N-O 3.41Å
380	F	96	Very high	92.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162.1	178.9	65.4	-92	0	0	0	110.4	L284 F307 Y316 F321 Q331 G332 L366 S367 M368 F397 I428	L284-F380 HydrophobicContact CD1-CE2 4.44Å; L284-F380 HydrophobicContact CD1-CZ 4.24Å; F307-F380 HydrophobicContact CD2-CD1 4.39Å; F307-F380 AromaticContact CE2-CD1 3.87Å; F307-F380 HydrophobicContact CE2-CD1 3.87Å; F307-F380 AromaticContact CE2-CE1 3.78Å; F307-F380 HydrophobicContact CE2-CE1 3.78Å; F307-F380 HydrophobicContact CE2-CG 4.37Å; F307-F380 HydrophobicContact CE2-CZ 4.2Å; Y316-F380 HydrophobicContact CD1-CE1 4.11Å; Y316-F380 HydrophobicContact CE1-CD1 4.15Å; Y316-F380 AromaticContact CE1-CE1 3.77Å; Y316-F380 HydrophobicContact CE1-CE1 3.77Å; Y316-F380 HydrophobicContact CE2-CE1 4.49Å; Y316-F380 AromaticContact CZ-CE1 3.96Å; F321-F380 HydrophobicContact CE1-CE2 4.32Å; Q331-F380 WeakPolarHBondContact CA-O 3.22Å; G332-F380 PolarHBondContact N-O 2.91Å; G332-F380 PolarHBondContact O-N 3.21Å; G332-F380 VanDerWaalsContact O-O 3.14Å; L366-F380 HydrophobicContact CD1-CB 4.47Å; L366-F380 HydrophobicContact CD1-CD2 3.51Å; L366-F380 HydrophobicContact CD1-CE2 4.1Å; L366-F380 HydrophobicContact CD1-CG 4.28Å; S367-F380 CarbonylContact O-C 3.56Å; S367-F380 VanDerWaalsContact O-CA 3.26Å; S367-F380 WeakPolarHBondContact O-CA 3.49Å; S367-F380 WeakPolarHBondContact O-CB 3.3Å; M368-F380 HydrophobicContact SD-CB 4.4Å; F380-F397 HydrophobicContact CB-CE1 4.24Å; F380-F397 HydrophobicContact CB-CZ 4.23Å; F380-I428 HydrophobicContact CZ-CD1 4.08Å
381	F	95.6	Very high	92.4	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154	174.3	65	-93.3	0	0	0	111.6	V329 I330 Q331 S367 M368 A369 T383 L390 H394	V329-F381 HydrophobicContact CB-CB 4.36Å; V329-F381 HydrophobicContact CB-CD2 3.94Å; V329-F381 HydrophobicContact CB-CG 4.46Å; V329-F381 HydrophobicContact CG1-CD2 3.68Å; V329-F381 HydrophobicContact CG1-CE2 4.01Å; I330-F381 CarbonylContact O-C 3.43Å; I330-F381 WeakPolarHBondContact O-CA 3.41Å; I330-F381 VanDerWaalsContact O-CB 3.29Å; I330-F381 WeakPolarHBondContact O-CB 3.22Å; Q331-F381 HydrophobicContact CB-CB 3.95Å; Q331-F381 HydrophobicContact CG-CB 4.36Å; S367-F381 VanDerWaalsContact CB-CZ 3.41Å; S367-F381 PolarHBondContact N-O 3.03Å; S367-F381 PolarHBondContact O-N 3.33Å; M368-F381 WeakPolarHBondContact O-CE1 3.35Å; A369-F381 HydrophobicContact CB-CD1 4.23Å; F381-T383 HydrophobicContact CD2-CG2 4.26Å; F381-T383 HydrophobicContact CE2-CG2 3.99Å; F381-L390 HydrophobicContact CE2-CD1 3.87Å; F381-L390 HydrophobicContact CZ-CD1 4.04Å; F381-H394 HydrophobicContact CE1-CB 3.94Å; F381-H394 AromaticContact CE1-CG 3.7Å; F381-H394 AromaticContact CE1-ND1 3.88Å; F381-H394 HydrophobicContact CZ-CB 3.78Å; F381-H394 AromaticContact CZ-CD2 4Å; F381-H394 AromaticContact CZ-CG 3.75Å
382	I	95.7	Very high	92.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.1	174.9	-57.6	170.9	0	0	0	108	L291 V329 I330 I365 L366 V400 L407	L291-I382 HydrophobicContact CD1-CD1 4.35Å; V329-I382 VanDerWaalsContact CA-O 3.3Å; V329-I382 WeakPolarHBondContact CA-O 3.34Å; I330-I382 HydrophobicContact CG2-CB 3.91Å; I330-I382 PolarHBondContact N-O 2.9Å; I330-I382 PolarHBondContact O-N 3.46Å; I365-I382 WeakPolarHBondContact O-CA 3.42Å; L366-I382 HydrophobicContact CD1-CD1 4.41Å; L366-I382 HydrophobicContact CD1-CG1 3.68Å; I382-V400 HydrophobicContact CD1-CG2 4.42Å; I382-V400 HydrophobicContact CG2-CG2 3.87Å; I382-L407 HydrophobicContact CB-CD1 4.42Å; I382-L407 HydrophobicContact CG2-CD1 3.77Å; I382-L407 HydrophobicContact CG2-CD2 4.16Å
383	T	95.3	Very high	92.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	141	178.7	66.2	0	0	0	0	112.2	V329 G362 G364 I365 F381	V329-T383 HydrophobicContact CG1-CG2 4.1Å; G362-T383 PolarHBondContact O-OG1 2.95Å; G364-T383 WeakPolarHBondContact CA-O 3.4Å; G364-T383 PolarHBondContact N-O 3.43Å; I365-T383 HydrophobicContact CB-CG2 4.27Å; I365-T383 WeakPolarHBondContact CB-OG1 3.35Å; I365-T383 PolarHBondContact N-OG1 3.45Å; I365-T383 VanDerWaalsContact N-OG1 3.07Å; I365-T383 PolarHBondContact O-N 3.25Å; F381-T383 HydrophobicContact CD2-CG2 4.26Å; F381-T383 HydrophobicContact CE2-CG2 3.99Å
384	F	93.8	Very high	92.7	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.035	25%	0.245	C	C	.	.	S	Bend	trans	-91.6	-24.3	172	-68.3	-50.3	0	0	0	112.9	F328 I330 R363 L407 E411	F328-F384 PolarHBondContact O-N 2.92Å; I330-F384 HydrophobicContact CB-CE2 3.79Å; I330-F384 HydrophobicContact CB-CZ 3.59Å; I330-F384 HydrophobicContact CD1-CZ 4.35Å; I330-F384 HydrophobicContact CG2-CE1 4.05Å; I330-F384 HydrophobicContact CG2-CE2 4.13Å; I330-F384 HydrophobicContact CG2-CZ 3.58Å; R363-F384 WeakPolarHBondContact CB-O 3.18Å; R363-F384 VanDerWaalsContact CG-O 3.3Å; R363-F384 WeakPolarHBondContact CG-O 3.14Å; R363-F384 VanDerWaalsContact NH1-CB 3.34Å; R363-F384 PolarHBondContact NH1-O 3.49Å; F384-L407 HydrophobicContact CD1-CD1 4.13Å; F384-L407 HydrophobicContact CD1-CD2 4.43Å; F384-L407 HydrophobicContact CD1-CG 4.02Å; F384-L407 HydrophobicContact CE1-CD1 3.55Å; F384-L407 HydrophobicContact CE1-CG 3.76Å; F384-L407 WeakPolarHBondContact CE1-O 3.27Å; F384-E411 HydrophobicContact CD1-CB 4.07Å; F384-E411 HydrophobicContact CD1-CG 4.26Å; F384-E411 HydrophobicContact CD2-CG 4.11Å; F384-E411 HydrophobicContact CE1-CB 3.66Å; F384-E411 HydrophobicContact CE1-CG 4.25Å; F384-E411 HydrophobicContact CE2-CB 4.16Å; F384-E411 HydrophobicContact CE2-CG 4.09Å; F384-E411 HydrophobicContact CG-CB 4.47Å; F384-E411 HydrophobicContact CG-CG 4.19Å; F384-E411 HydrophobicContact CZ-CB 3.7Å; F384-E411 HydrophobicContact CZ-CG 4.15Å
385	R	92.6	Very high	92.9	Very high	145 Å²	145	45.9 Å²	45.9	55%	0.547	22%	0.222	S	C	.	.	S	Bend	trans	-141.2	162.7	-179.4	-175.4	-176	-70.3	-133.2	0.4	110.2	N327 G362 C387	N327-R385 WeakPolarHBondContact O-CB 3.44Å; N327-R385 PolarHBondContact OD1-NH2 2.72Å; G362-R385 CarbonylContact O-C 3.53Å; R385-C387 PolarHBondContact O-N 3.01Å; R385-C387 PolarHBondContact O-SG 3.22Å
386	S	93.3	Very high	93.1	Very high	63 Å²	63	45.2 Å²	45.2	44%	0.441	22%	0.216	S	C	.	.			trans	-54.2	124.9	165.5	-50	0	0	0	0	111.6	H360 G362	H360-S386 CarbonylContact O-C 3.57Å; H360-S386 WeakPolarHBondContact O-CA 3.24Å; G362-S386 PolarHBondContact N-OG 3.45Å; G362-S386 PolarHBondContact O-N 3.42Å
387	C	90.5	Very high	93.2	Very high	15 Å²	15	45.2 Å²	45.2	10%	0.101	22%	0.216	C	C	.	.			trans	-132.8	73	-176.8	-66	0	0	0	0	111.2	F328 H360 R385 Y389 L390	F328-C387 HydrophobicContact CE2-CB 4.38Å; H360-C387 HydrophobicContact CB-CB 4.36Å; H360-C387 WeakPolarHBondContact CB-O 3.31Å; H360-C387 PolarHBondContact O-N 3.43Å; R385-C387 PolarHBondContact O-N 3.01Å; R385-C387 PolarHBondContact O-SG 3.22Å; C387-Y389 PolarHBondContact O-N 2.87Å; C387-L390 HydrophobicContact CB-CD1 3.85Å; C387-L390 HydrophobicContact CB-CG 4.07Å; C387-L390 PolarHBondContact O-N 3.19Å
388	A	90.6	Very high	93.2	Very high	73 Å²	73	41.6 Å²	41.6	60%	0.603	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-58.2	-23.9	-176.9	0	0	0	0	0	114.4	L390 D391	A388-L390 PolarHBondContact O-N 3.21Å; A388-D391 VanDerWaalsContact O-CB 3.31Å; A388-D391 WeakPolarHBondContact O-CB 3.42Å; A388-D391 PolarHBondContact O-N 3.01Å; A388-D391 VanDerWaalsContact O-N 3.17Å
389	Y	89.9	Confident	93.2	Very high	185 Å²	185	46.8 Å²	46.8	73%	0.725	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-65	-21	177	178.1	-97.1	0	0	0	113.9	C387 K393	C387-Y389 PolarHBondContact O-N 2.87Å; Y389-K393 WeakPolarHBondContact O-CD 2.96Å; Y389-K393 WeakPolarHBondContact O-CE 3.33Å; Y389-K393 PolarHBondContact O-NZ 2.83Å; Y389-K393 PolarHBondContact OH-NZ 2.94Å
390	L	90.6	Very high	93.2	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.068	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-86	-10	178.3	-59.7	-177.5	0	0	0	112.7	F328 V329 H360 F381 C387 A388 K393 H394	F328-L390 HydrophobicContact CE2-CD1 4.25Å; F328-L390 HydrophobicContact CZ-CD1 4.2Å; F328-L390 HydrophobicContact CZ-CD2 4.34Å; V329-L390 HydrophobicContact CG1-CD1 4.29Å; H360-L390 PolarHBondContact CE1-O 2.84Å; H360-L390 VanDerWaalsContact CE1-O 3.29Å; F381-L390 HydrophobicContact CE2-CD1 3.87Å; F381-L390 HydrophobicContact CZ-CD1 4.04Å; C387-L390 HydrophobicContact CB-CD1 3.85Å; C387-L390 HydrophobicContact CB-CG 4.07Å; C387-L390 PolarHBondContact O-N 3.19Å; A388-L390 PolarHBondContact O-N 3.21Å; L390-K393 PolarHBondContact O-N 3Å; L390-K393 VanDerWaalsContact O-N 3.15Å; L390-H394 PolarHBondContact O-N 3.37Å
391	D	90.6	Very high	93.1	Very high	47 Å²	47	48.8 Å²	48.8	25%	0.251	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	137.9	179.8	-66.3	-16.9	0	0	0	110.9	H360 A388 K393	H360-D391 IonicContact CE1-OD1 2.95Å; H360-D391 IonicContact CG-OD1 3.87Å; H360-D391 PolarHBondContact N-OD1 3.47Å; H360-D391 IonicContact ND1-OD1 2.71Å; H360-D391 PolarHBondContact ND1-OD1 3.42Å; A388-D391 VanDerWaalsContact O-CB 3.31Å; A388-D391 WeakPolarHBondContact O-CB 3.42Å; A388-D391 PolarHBondContact O-N 3.01Å; A388-D391 VanDerWaalsContact O-N 3.17Å; D391-K393 PolarHBondContact O-N 2.81Å; D391-K393 VanDerWaalsContact O-N 3.09Å
392	K	89	Confident	92.9	Very high	171 Å²	171	49.2 Å²	49.2	74%	0.743	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	12.2	-175.1	-54.6	178	178.5	174.9	0	115.2	F354	F354-K392 VanDerWaalsContact CE1-C 3.45Å; F354-K392 WeakPolarHBondContact CE2-O 3.29Å; F354-K392 WeakPolarHBondContact CZ-O 3.36Å
393	K	91.3	Very high	92.7	Very high	81 Å²	81	50 Å²	50	35%	0.352	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-41.1	170.9	-65	179.5	-173.4	155.8	0	111.6	N370 Y389 L390 D391	N370-K393 PolarHBondContact ND2-O 2.83Å; Y389-K393 WeakPolarHBondContact O-CD 2.96Å; Y389-K393 WeakPolarHBondContact O-CE 3.33Å; Y389-K393 PolarHBondContact O-NZ 2.83Å; Y389-K393 PolarHBondContact OH-NZ 2.94Å; L390-K393 PolarHBondContact O-N 3Å; L390-K393 VanDerWaalsContact O-N 3.15Å; D391-K393 PolarHBondContact O-N 2.81Å; D391-K393 VanDerWaalsContact O-N 3.09Å
394	H	93.6	Very high	92.5	Very high	32 Å²	32	54.2 Å²	54.2	15%	0.148	27%	0.267	C	S	.	.	S	Bend	trans	-114.4	137.7	178.5	-60.7	-70.9	0	0	0	110.5	M368 N370 F381 L390 I396	M368-H394 WeakPolarHBondContact O-CB 3.09Å; M368-H394 PolarHBondContact O-ND1 2.92Å; M368-H394 VanDerWaalsContact O-ND1 3.15Å; N370-H394 PolarHBondContact OD1-CE1 3.19Å; N370-H394 PolarHBondContact OD1-ND1 3.44Å; F381-H394 HydrophobicContact CE1-CB 3.94Å; F381-H394 AromaticContact CE1-CG 3.7Å; F381-H394 AromaticContact CE1-ND1 3.88Å; F381-H394 HydrophobicContact CZ-CB 3.78Å; F381-H394 AromaticContact CZ-CD2 4Å; F381-H394 AromaticContact CZ-CG 3.75Å; L390-H394 PolarHBondContact O-N 3.37Å; H394-I396 PolarHBondContact O-N 3.18Å
395	T	94.6	Very high	92.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.			trans	-75.8	114.5	178.8	-62.5	0	0	0	0	109	T300 T303 D352 E353 S367 M368	T300-T395 HydrophobicContact CG2-CG2 4.03Å; T303-T395 HydrophobicContact CG2-CG2 4.15Å; T303-T395 WeakPolarHBondContact OG1-CG2 3.37Å; D352-T395 WeakPolarHBondContact CA-OG1 3.34Å; D352-T395 PolarHBondContact OD1-OG1 3.02Å; E353-T395 HydrophobicContact CB-CG2 3.85Å; E353-T395 PolarHBondContact N-OG1 3.27Å; S367-T395 CarbonylContact C-O 3.41Å; S367-T395 VanDerWaalsContact CA-O 3.27Å; S367-T395 WeakPolarHBondContact CA-O 3.45Å; M368-T395 PolarHBondContact N-O 2.91Å
396	I	95.3	Very high	92.5	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.062	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.2	173.3	-60.6	157.8	0	0	0	107.7	T300 L358 S359 H360 I365 S367 H394	T300-I396 VanDerWaalsContact CG2-O 3.24Å; T300-I396 WeakPolarHBondContact CG2-O 3.39Å; L358-I396 HydrophobicContact CB-CB 4.16Å; L358-I396 HydrophobicContact CB-CD1 4.05Å; L358-I396 HydrophobicContact CB-CG2 4.3Å; L358-I396 WeakPolarHBondContact CD1-O 3.36Å; S359-I396 VanDerWaalsContact CA-CD1 3.5Å; H360-I396 VanDerWaalsContact CE1-CG1 3.46Å; H360-I396 WeakPolarHBondContact CE1-CG1 3.49Å; H360-I396 WeakPolarHBondContact NE2-CG1 3Å; I365-I396 HydrophobicContact CG2-CB 4.44Å; I365-I396 HydrophobicContact CG2-CD1 4.46Å; I365-I396 HydrophobicContact CG2-CG1 4.09Å; I365-I396 HydrophobicContact CG2-CG2 3.53Å; S367-I396 VanDerWaalsContact OG-CG1 3.31Å; S367-I396 WeakPolarHBondContact OG-CG1 3.33Å; H394-I396 PolarHBondContact O-N 3.18Å
397	F	95.1	Very high	92.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	0.1	-176.7	70.9	-85.2	0	0	0	113.9	L295 H296 T300 T303 C304 F307 L366 M368 F380	L295-F397 CarbonylContact C-O 3.46Å; L295-F397 WeakPolarHBondContact CA-O 3.49Å; L295-F397 HydrophobicContact CD2-CD2 3.86Å; L295-F397 HydrophobicContact CD2-CE2 3.84Å; H296-F397 PolarHBondContact N-O 2.93Å; T300-F397 WeakPolarHBondContact OG1-CA 3.18Å; T300-F397 WeakPolarHBondContact OG1-CB 3.28Å; T303-F397 HydrophobicContact CG2-CB 3.58Å; T303-F397 HydrophobicContact CG2-CD1 3.65Å; T303-F397 HydrophobicContact CG2-CD2 4.28Å; T303-F397 HydrophobicContact CG2-CE1 4.38Å; T303-F397 HydrophobicContact CG2-CG 3.58Å; C304-F397 PolarHBondContact SG-O 3.09Å; C304-F397 VanDerWaalsContact SG-O 3.38Å; F307-F397 HydrophobicContact CB-CE2 3.84Å; F307-F397 HydrophobicContact CB-CZ 4.47Å; F307-F397 HydrophobicContact CD1-CE2 4.09Å; F307-F397 AromaticContact CD2-CE2 3.84Å; F307-F397 HydrophobicContact CD2-CE2 3.84Å; F307-F397 AromaticContact CD2-CZ 3.87Å; F307-F397 HydrophobicContact CD2-CZ 3.87Å; F307-F397 HydrophobicContact CE2-CE2 4.4Å; F307-F397 HydrophobicContact CE2-CZ 4.3Å; F307-F397 AromaticContact CG-CE2 3.65Å; F307-F397 HydrophobicContact CG-CE2 3.65Å; F307-F397 HydrophobicContact CG-CZ 4.16Å; L366-F397 HydrophobicContact CD1-CZ 4.15Å; L366-F397 HydrophobicContact CD2-CD2 4.06Å; L366-F397 HydrophobicContact CD2-CE1 4.17Å; L366-F397 HydrophobicContact CD2-CE2 3.35Å; L366-F397 HydrophobicContact CD2-CZ 3.43Å; L366-F397 VanDerWaalsContact CD2-CZ 3.43Å; L366-F397 HydrophobicContact CG-CD1 4.44Å; L366-F397 HydrophobicContact CG-CE1 3.78Å; L366-F397 HydrophobicContact CG-CE2 3.93Å; L366-F397 HydrophobicContact CG-CZ 3.49Å; L366-F397 VanDerWaalsContact CG-CZ 3.49Å; L366-F397 PolarHBondContact O-N 2.92Å; M368-F397 HydrophobicContact CG-CD1 3.85Å; M368-F397 HydrophobicContact CG-CE1 3.83Å; M368-F397 HydrophobicContact SD-CD1 4.11Å; M368-F397 HydrophobicContact SD-CE1 3.56Å; M368-F397 VanDerWaalsContact SD-CE1 3.56Å; M368-F397 HydrophobicContact SD-CZ 4.07Å; F380-F397 HydrophobicContact CB-CE1 4.24Å; F380-F397 HydrophobicContact CB-CZ 4.23Å
398	G	94.6	Very high	92.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	-172.2	175.5	0	0	0	0	0	114.2	E294 L366	E294-G398 CarbonylContact O-C 3.25Å; E294-G398 WeakPolarHBondContact O-CA 3.25Å; L366-G398 WeakPolarHBondContact CB-O 3.25Å; L366-G398 PolarHBondContact N-O 3.15Å; L366-G398 PolarHBondContact O-N 3.44Å
399	R	94.6	Very high	92.6	Very high	108 Å²	108	50.6 Å²	50.6	41%	0.408	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154.3	175	64.5	-179.2	-176.1	172.3	1.5	111.4	E294 G364 I365 V401	E294-R399 HydrophobicContact CB-CG 4.19Å; E294-R399 PolarHBondContact N-O 3.25Å; E294-R399 PolarHBondContact O-N 3Å; E294-R399 IonicContact OE1-CZ 3.52Å; E294-R399 IonicContact OE1-NE 2.85Å; E294-R399 IonicContact OE1-NH2 2.77Å; E294-R399 PolarHBondContact OE1-NH2 3.08Å; E294-R399 IonicContact OE2-CZ 2.72Å; E294-R399 VanDerWaalsContact OE2-CZ 3.25Å; E294-R399 IonicContact OE2-NE 3.44Å; E294-R399 PolarHBondContact OE2-NE 3.15Å; E294-R399 IonicContact OE2-NH2 2.66Å; E294-R399 PolarHBondContact OE2-NH2 3.41Å; G364-R399 CarbonylContact O-C 3.59Å; G364-R399 VanDerWaalsContact O-CA 3.24Å; G364-R399 WeakPolarHBondContact O-CA 3.38Å; I365-R399 HydrophobicContact CD1-CB 4.4Å; R399-V401 HydrophobicContact CG-CG1 4.21Å
400	V	95.1	Very high	92.7	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.036	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.1	169.7	-177.6	0	0	0	0	108.5	L291 N292 L293 G364 I382 G402 F404	L291-V400 HydrophobicContact CD2-CG1 4.04Å; N292-V400 WeakPolarHBondContact O-CA 3.38Å; L293-V400 HydrophobicContact CD2-CB 4.39Å; L293-V400 HydrophobicContact CD2-CG2 3.69Å; G364-V400 PolarHBondContact O-N 2.84Å; I382-V400 HydrophobicContact CD1-CG2 4.42Å; I382-V400 HydrophobicContact CG2-CG2 3.87Å; V400-G402 WeakPolarHBondContact CG1-O 3.29Å; V400-F404 HydrophobicContact CB-CE1 4.32Å; V400-F404 HydrophobicContact CB-CZ 4.49Å; V400-F404 HydrophobicContact CG1-CD1 4.48Å; V400-F404 HydrophobicContact CG1-CE1 4.25Å; V400-F404 HydrophobicContact CG1-CZ 4.37Å; V400-F404 VanDerWaalsContact O-CZ 3.28Å; V400-F404 WeakPolarHBondContact O-CZ 3.31Å
401	V	93.3	Very high	92.7	Very high	56 Å²	56	42 Å²	42	34%	0.339	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-18	178	-69.9	0	0	0	0	113.2	Y281 N292 E294 R399	Y281-V401 HydrophobicContact CE1-CG2 4.35Å; N292-V401 HydrophobicContact CB-CG2 3.98Å; N292-V401 WeakPolarHBondContact O-CG2 3.31Å; N292-V401 PolarHBondContact O-N 3.37Å; E294-V401 HydrophobicContact CB-CG1 3.47Å; E294-V401 VanDerWaalsContact CB-CG1 3.47Å; E294-V401 HydrophobicContact CB-CG2 4.25Å; E294-V401 HydrophobicContact CG-CG1 4.39Å; E294-V401 WeakPolarHBondContact OE2-CG1 3.18Å; R399-V401 HydrophobicContact CG-CG1 4.21Å
402	G	91.1	Very high	92.8	Very high	18 Å²	18	44.5 Å²	44.5	19%	0.186	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154.5	176.8	0	0	0	0	0	111	N292 V400	N292-G402 PolarHBondContact N-O 3.3Å; N292-G402 PolarHBondContact O-N 3.05Å; V400-G402 WeakPolarHBondContact CG1-O 3.29Å
403	G	91.3	Very high	92.8	Very high	16 Å²	16	37.1 Å²	37.1	17%	0.165	20%	0.199	C	C	.	.			trans	87.8	28.9	-173.8	0	0	0	0	0	114	L291 D405 V406 L407	L291-G403 WeakPolarHBondContact CD2-O 3.29Å; G403-D405 WeakPolarHBondContact CA-OD1 3.37Å; G403-D405 PolarHBondContact O-N 3.25Å; G403-V406 WeakPolarHBondContact O-CB 2.92Å; G403-V406 PolarHBondContact O-N 2.92Å; G403-V406 VanDerWaalsContact O-N 3.09Å; G403-L407 PolarHBondContact O-N 2.89Å
404	F	91.9	Very high	92.7	Very high	89 Å²	89	39.3 Å²	39.3	39%	0.39	21%	0.211	S	C	.	.	H	α-helix	trans	-64	-27.5	177.9	-72.8	-76.8	0	0	0	113.3	V400 T408	V400-F404 HydrophobicContact CB-CE1 4.32Å; V400-F404 HydrophobicContact CB-CZ 4.49Å; V400-F404 HydrophobicContact CG1-CD1 4.48Å; V400-F404 HydrophobicContact CG1-CE1 4.25Å; V400-F404 HydrophobicContact CG1-CZ 4.37Å; V400-F404 VanDerWaalsContact O-CZ 3.28Å; V400-F404 WeakPolarHBondContact O-CZ 3.31Å; F404-T408 WeakPolarHBondContact O-CB 3.31Å; F404-T408 PolarHBondContact O-N 3.14Å; F404-T408 PolarHBondContact O-OG1 3.16Å
405	D	93.6	Very high	92.6	Very high	121 Å²	121	39.4 Å²	39.4	65%	0.647	22%	0.215	S	C	*	.	H	α-helix	trans	-61.1	-47.5	168.2	56	-31.8	0	0	0	111.3	G403 L407 T408 A409	G403-D405 WeakPolarHBondContact CA-OD1 3.37Å; G403-D405 PolarHBondContact O-N 3.25Å; D405-L407 PolarHBondContact O-N 2.93Å; D405-T408 WeakPolarHBondContact O-CB 3.25Å; D405-T408 PolarHBondContact O-N 3.12Å; D405-T408 VanDerWaalsContact O-N 3.16Å; D405-A409 PolarHBondContact O-N 3.16Å
406	V	93.3	Very high	92.3	Very high	10 Å²	10	42.3 Å²	42.3	6%	0.061	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-45	175.1	-177.8	0	0	0	0	110.7	K288 L291 G403 T408 A409 M410	K288-V406 HydrophobicContact CB-CG1 4.12Å; L291-V406 HydrophobicContact CD2-CB 4.25Å; L291-V406 HydrophobicContact CG-CB 4.35Å; L291-V406 HydrophobicContact CG-CG1 4.14Å; G403-V406 WeakPolarHBondContact O-CB 2.92Å; G403-V406 PolarHBondContact O-N 2.92Å; G403-V406 VanDerWaalsContact O-N 3.09Å; V406-T408 PolarHBondContact O-N 3.35Å; V406-A409 WeakPolarHBondContact O-CB 3.42Å; V406-A409 PolarHBondContact O-N 3.03Å; V406-A409 VanDerWaalsContact O-N 3.1Å; V406-M410 HydrophobicContact CG1-CG 4.42Å; V406-M410 HydrophobicContact CG1-SD 4.19Å; V406-M410 VanDerWaalsContact O-CG 3.27Å; V406-M410 WeakPolarHBondContact O-CG 3.35Å; V406-M410 PolarHBondContact O-N 3.43Å
407	L	92.4	Very high	91.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-35.9	176.8	-171.2	65.4	0	0	0	111.8	L291 I330 R363 I382 F384 G403 D405 E411	L291-L407 HydrophobicContact CD2-CB 4.19Å; I330-L407 HydrophobicContact CG2-CD1 4.39Å; R363-L407 HydrophobicContact CG-CD2 4.08Å; I382-L407 HydrophobicContact CB-CD1 4.42Å; I382-L407 HydrophobicContact CG2-CD1 3.77Å; I382-L407 HydrophobicContact CG2-CD2 4.16Å; F384-L407 HydrophobicContact CD1-CD1 4.13Å; F384-L407 HydrophobicContact CD1-CD2 4.43Å; F384-L407 HydrophobicContact CD1-CG 4.02Å; F384-L407 HydrophobicContact CE1-CD1 3.55Å; F384-L407 HydrophobicContact CE1-CG 3.76Å; F384-L407 WeakPolarHBondContact CE1-O 3.27Å; G403-L407 PolarHBondContact O-N 2.89Å; D405-L407 PolarHBondContact O-N 2.93Å; L407-E411 PolarHBondContact O-N 3.07Å; L407-E411 VanDerWaalsContact O-N 3.09Å
408	T	92.4	Very high	91.4	Very high	57 Å²	57	56.5 Å²	56.5	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-72.6	-39	175.6	-55	0	0	0	0	111.7	R363 F404 D405 V406 M410 E411 N412	R363-T408 PolarHBondContact NH2-OG1 3.36Å; F404-T408 WeakPolarHBondContact O-CB 3.31Å; F404-T408 PolarHBondContact O-N 3.14Å; F404-T408 PolarHBondContact O-OG1 3.16Å; D405-T408 WeakPolarHBondContact O-CB 3.25Å; D405-T408 PolarHBondContact O-N 3.12Å; D405-T408 VanDerWaalsContact O-N 3.16Å; V406-T408 PolarHBondContact O-N 3.35Å; T408-M410 VanDerWaalsContact C-N 3.33Å; T408-M410 PolarHBondContact O-N 2.99Å; T408-E411 PolarHBondContact O-N 3.48Å; T408-N412 VanDerWaalsContact O-CG 3.27Å; T408-N412 PolarHBondContact O-N 2.97Å; T408-N412 PolarHBondContact O-ND2 3.3Å
409	A	91.9	Very high	90.8	Very high	40 Å²	40	60 Å²	60	33%	0.331	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-41.1	173	0	0	0	0	0	111.7	D405 V406 N412	D405-A409 PolarHBondContact O-N 3.16Å; V406-A409 WeakPolarHBondContact O-CB 3.42Å; V406-A409 PolarHBondContact O-N 3.03Å; V406-A409 VanDerWaalsContact O-N 3.1Å; A409-N412 PolarHBondContact O-N 3.36Å
410	M	90.8	Very high	90.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-37.2	174.8	-65.8	170	85.3	0	0	112.3	K288 L291 F321 I330 V406 T408 I426	K288-M410 HydrophobicContact CB-CG 4.4Å; L291-M410 HydrophobicContact CD1-CE 4.46Å; L291-M410 HydrophobicContact CD1-SD 3.71Å; F321-M410 HydrophobicContact CD1-CE 4.36Å; F321-M410 HydrophobicContact CD2-CE 3.54Å; F321-M410 HydrophobicContact CE1-CE 4.17Å; F321-M410 HydrophobicContact CE2-CE 3.31Å; F321-M410 HydrophobicContact CG-CE 4.06Å; F321-M410 HydrophobicContact CZ-CE 3.65Å; I330-M410 HydrophobicContact CD1-CB 4.02Å; I330-M410 HydrophobicContact CD1-CE 3.65Å; V406-M410 HydrophobicContact CG1-CG 4.42Å; V406-M410 HydrophobicContact CG1-SD 4.19Å; V406-M410 VanDerWaalsContact O-CG 3.27Å; V406-M410 WeakPolarHBondContact O-CG 3.35Å; V406-M410 PolarHBondContact O-N 3.43Å; T408-M410 VanDerWaalsContact C-N 3.33Å; T408-M410 PolarHBondContact O-N 2.99Å; M410-I426 HydrophobicContact CB-CD1 3.99Å; M410-I426 HydrophobicContact CE-CG2 3.52Å; M410-I426 HydrophobicContact CG-CD1 4.2Å; M410-I426 HydrophobicContact CG-CG2 4.05Å; M410-I426 HydrophobicContact SD-CG2 4.48Å
411	E	91.9	Very high	90.3	Very high	17 Å²	17	62.3 Å²	62.3	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-69.8	-30.9	176.5	-174.9	170.6	-166.5	0	0	113.3	R326 N327 R363 F384 L407 T408 V413	R326-E411 HydrophobicContact CG-CG 3.96Å; N327-E411 WeakPolarHBondContact CA-OE1 3.38Å; N327-E411 PolarHBondContact N-OE1 3.13Å; R363-E411 IonicContact CZ-OE2 2.72Å; R363-E411 IonicContact NH1-OE2 2.64Å; R363-E411 PolarHBondContact NH1-OE2 3.34Å; R363-E411 IonicContact NH2-OE2 3.4Å; R363-E411 PolarHBondContact NH2-OE2 3.04Å; F384-E411 HydrophobicContact CD1-CB 4.07Å; F384-E411 HydrophobicContact CD1-CG 4.26Å; F384-E411 HydrophobicContact CD2-CG 4.11Å; F384-E411 HydrophobicContact CE1-CB 3.66Å; F384-E411 HydrophobicContact CE1-CG 4.25Å; F384-E411 HydrophobicContact CE2-CB 4.16Å; F384-E411 HydrophobicContact CE2-CG 4.09Å; F384-E411 HydrophobicContact CG-CB 4.47Å; F384-E411 HydrophobicContact CG-CG 4.19Å; F384-E411 HydrophobicContact CZ-CB 3.7Å; F384-E411 HydrophobicContact CZ-CG 4.15Å; L407-E411 PolarHBondContact O-N 3.07Å; L407-E411 VanDerWaalsContact O-N 3.09Å; T408-E411 PolarHBondContact O-N 3.48Å; E411-V413 VanDerWaalsContact C-N 3.25Å; E411-V413 PolarHBondContact O-N 2.93Å
412	N	91.4	Very high	90.1	Very high	100 Å²	100	60.5 Å²	60.5	54%	0.535	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.2	-179.8	-73.1	-23.7	0	0	0	113.4	T408 A409 E414	T408-N412 VanDerWaalsContact O-CG 3.27Å; T408-N412 PolarHBondContact O-N 2.97Å; T408-N412 PolarHBondContact O-ND2 3.3Å; A409-N412 PolarHBondContact O-N 3.36Å; N412-E414 PolarHBondContact O-N 2.79Å
413	V	90.3	Very high	90	Very high	15 Å²	15	66.4 Å²	66.4	9%	0.091	35%	0.348	C	S	.	.	S	Bend	trans	-68.5	124.3	175.1	178.2	0	0	0	0	109.7	E411 S415 P422 E424 I426	E411-V413 VanDerWaalsContact C-N 3.25Å; E411-V413 PolarHBondContact O-N 2.93Å; V413-S415 PolarHBondContact O-N 3.47Å; V413-P422 HydrophobicContact CG1-CB 4.01Å; V413-E424 HydrophobicContact CG1-CB 3.83Å; V413-E424 HydrophobicContact CG1-CG 4.36Å; V413-I426 HydrophobicContact CB-CD1 4.18Å; V413-I426 HydrophobicContact CG2-CD1 3.96Å; V413-I426 HydrophobicContact CG2-CG1 4.37Å
414	E	89.3	Confident	90	Very high	128 Å²	128	70.9 Å²	70.9	60%	0.598	36%	0.364	S	S	*	.			trans	-62.8	131.9	176.1	-67.2	-173.9	178.3	0	0	110.9	N412 K423	N412-E414 PolarHBondContact O-N 2.79Å; E414-K423 HydrophobicContact CB-CD 4.03Å; E414-K423 WeakPolarHBondContact O-CB 3.3Å; E414-K423 WeakPolarHBondContact O-CG 3.14Å; E414-K423 PolarHBondContact O-N 2.89Å; E414-K423 IonicContact OE2-NZ 3.48Å; E414-K423 PolarHBondContact OE2-NZ 3.16Å
415	S	89.4	Confident	89.8	Confident	33 Å²	33	71.3 Å²	71.3	23%	0.231	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-111.3	149.5	177.1	-57	0	0	0	0	110.4	S324 V413 R421	S324-S415 WeakPolarHBondContact O-CB 3.26Å; S324-S415 PolarHBondContact O-OG 3Å; V413-S415 PolarHBondContact O-N 3.47Å; S415-R421 CarbonylContact C-O 3.48Å; S415-R421 VanDerWaalsContact CA-O 3.3Å; S415-R421 WeakPolarHBondContact CA-O 3.47Å
416	D	89.7	Confident	89.7	Confident	62 Å²	62	65.6 Å²	65.6	33%	0.332	34%	0.337	S	S	.	.			trans	-65.7	123.8	176.1	175.4	-3.9	0	0	0	110	K418 T419 D420 R421	D416-K418 PolarHBondContact O-N 3.13Å; D416-K418 VanDerWaalsContact O-N 3.13Å; D416-K418 PolarHBondContact OD1-N 2.96Å; D416-T419 WeakPolarHBondContact CB-OG1 3.24Å; D416-T419 PolarHBondContact O-N 3.11Å; D416-T419 PolarHBondContact OD2-OG1 2.87Å; D416-D420 VanDerWaalsContact O-CA 3.26Å; D416-D420 WeakPolarHBondContact O-CA 3.17Å; D416-D420 PolarHBondContact O-N 2.99Å; D416-R421 PolarHBondContact N-O 3.49Å
417	P	84.5	Confident	89.8	Confident	120 Å²	120	70.1 Å²	70.1	78%	0.779	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.3	-177.4	27.3	-37	0	0	0	114.6
418	K	85.9	Confident	89.9	Confident	190 Å²	190	70.1 Å²	70.1	83%	0.826	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-33.2	179	-72.5	-173.8	179	-178.7	0	113.7	D416	D416-K418 PolarHBondContact O-N 3.13Å; D416-K418 VanDerWaalsContact O-N 3.13Å; D416-K418 PolarHBondContact OD1-N 2.96Å
419	T	82.7	Confident	90	Very high	75 Å²	75	71.1 Å²	71.1	46%	0.46	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-5.1	-172.4	59.1	0	0	0	0	113.2	D416 R421	D416-T419 WeakPolarHBondContact CB-OG1 3.24Å; D416-T419 PolarHBondContact O-N 3.11Å; D416-T419 PolarHBondContact OD2-OG1 2.87Å; T419-R421 PolarHBondContact O-N 3.32Å
420	D	89.1	Confident	90.1	Very high	50 Å²	50	70.7 Å²	70.7	27%	0.267	35%	0.353	S	S	.	.			trans	54	17.9	-173.1	-60.4	-35.2	0	0	0	113.3	R323 S324 I325 D416	R323-D420 CarbonylContact C-O 3.47Å; R323-D420 WeakPolarHBondContact CA-O 3.33Å; R323-D420 HydrophobicContact CG-CB 3.84Å; R323-D420 IonicContact NE-OD2 3.5Å; R323-D420 IonicContact NH2-OD2 2.94Å; S324-D420 PolarHBondContact N-O 2.97Å; I325-D420 HydrophobicContact CG1-CB 4.08Å; D416-D420 VanDerWaalsContact O-CA 3.26Å; D416-D420 WeakPolarHBondContact O-CA 3.17Å; D416-D420 PolarHBondContact O-N 2.99Å
421	R	89.1	Confident	90.2	Very high	111 Å²	111	71.2 Å²	71.2	42%	0.419	36%	0.356	S	S	.	.			trans	-83.7	130.7	-179.2	-87.8	177.3	159.1	176.8	-5.5	110.8	H322 G337 S415 D416 T419 K423	H322-R421 WeakPolarHBondContact O-CG 3.31Å; G337-R421 PolarHBondContact O-NH2 3.01Å; S415-R421 CarbonylContact C-O 3.48Å; S415-R421 VanDerWaalsContact CA-O 3.3Å; S415-R421 WeakPolarHBondContact CA-O 3.47Å; D416-R421 PolarHBondContact N-O 3.49Å; T419-R421 PolarHBondContact O-N 3.32Å; R421-K423 PolarHBondContact O-N 3.42Å
422	P	90.3	Very high	90.3	Very high	19 Å²	19	73.2 Å²	73.2	12%	0.123	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-56.3	134.5	171.7	-26.5	36	0	0	0	111.9	F321 V413 E424 I426	F321-P422 WeakPolarHBondContact O-CD 3.48Å; F321-P422 WeakPolarHBondContact O-CG 3.14Å; V413-P422 HydrophobicContact CG1-CB 4.01Å; P422-E424 WeakPolarHBondContact CB-O 3.46Å; P422-I426 HydrophobicContact CG-CD1 4.5Å
423	K	89.6	Confident	90.3	Very high	142 Å²	142	70 Å²	70	62%	0.617	35%	0.354	S	S	*	.	S	Bend	trans	-67.5	-38.6	174.2	-69.4	-178.5	-173.6	170.6	0	111.6	E414 R421	E414-K423 HydrophobicContact CB-CD 4.03Å; E414-K423 WeakPolarHBondContact O-CB 3.3Å; E414-K423 WeakPolarHBondContact O-CG 3.14Å; E414-K423 PolarHBondContact O-N 2.89Å; E414-K423 IonicContact OE2-NZ 3.48Å; E414-K423 PolarHBondContact OE2-NZ 3.16Å; R421-K423 PolarHBondContact O-N 3.42Å
424	E	89.6	Confident	90.2	Very high	109 Å²	109	74.8 Å²	74.8	51%	0.509	37%	0.373	S	S	.	.	S	Bend	trans	-93.2	127.3	169.4	-60.9	-176.2	179.2	0	0	109	K288 V413 P422 I426	K288-E424 IonicContact NZ-OE2 2.73Å; K288-E424 PolarHBondContact NZ-OE2 3.17Å; V413-E424 HydrophobicContact CG1-CB 3.83Å; V413-E424 HydrophobicContact CG1-CG 4.36Å; P422-E424 WeakPolarHBondContact CB-O 3.46Å; E424-I426 PolarHBondContact O-N 2.95Å
425	E	88.9	Confident	90	Very high	99 Å²	99	71.2 Å²	71.2	46%	0.463	36%	0.36	S	S	.	.			trans	-62.5	122.7	177.6	-172	-172.8	135.4	0	0	110.1	N287 I320 R427	N287-E425 PolarHBondContact ND2-O 2.97Å; I320-E425 HydrophobicContact CB-CG 4.42Å; I320-E425 HydrophobicContact CG2-CG 3.63Å; E425-R427 IonicContact OE1-CZ 3.87Å; E425-R427 IonicContact OE1-NH1 2.58Å; E425-R427 PolarHBondContact OE1-NH1 3.12Å; E425-R427 IonicContact OE2-NH1 2.58Å
426	I	92.3	Very high	89.8	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.005	36%	0.355	C	S	.	.			trans	-105.9	118.7	169.8	-50.3	172.9	0	0	0	106.7	K288 I320 F321 I330 M410 V413 P422 E424	K288-I426 HydrophobicContact CG-CG2 4.44Å; I320-I426 CarbonylContact C-O 3.6Å; I320-I426 WeakPolarHBondContact CA-O 3.42Å; F321-I426 HydrophobicContact CB-CB 4.35Å; F321-I426 HydrophobicContact CD2-CB 4.08Å; F321-I426 HydrophobicContact CD2-CG2 3.67Å; F321-I426 HydrophobicContact CE2-CG2 4.24Å; F321-I426 PolarHBondContact N-O 3.25Å; I330-I426 HydrophobicContact CD1-CD1 4.15Å; M410-I426 HydrophobicContact CB-CD1 3.99Å; M410-I426 HydrophobicContact CE-CG2 3.52Å; M410-I426 HydrophobicContact CG-CD1 4.2Å; M410-I426 HydrophobicContact CG-CG2 4.05Å; M410-I426 HydrophobicContact SD-CG2 4.48Å; V413-I426 HydrophobicContact CB-CD1 4.18Å; V413-I426 HydrophobicContact CG2-CD1 3.96Å; V413-I426 HydrophobicContact CG2-CG1 4.37Å; P422-I426 HydrophobicContact CG-CD1 4.5Å; E424-I426 PolarHBondContact O-N 2.95Å
427	R	93.7	Very high	89.4	Confident	104 Å²	104	68 Å²	68	39%	0.392	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.1	-176	63.6	169.8	159.4	-125.6	1.6	112.5	T286 N287 T319 I320 E425 D429	T286-R427 WeakPolarHBondContact CA-O 3.4Å; T286-R427 VanDerWaalsContact CB-O 3.29Å; T286-R427 WeakPolarHBondContact CB-O 3.45Å; N287-R427 HydrophobicContact CB-CG 4.17Å; N287-R427 PolarHBondContact N-O 3.41Å; N287-R427 VanDerWaalsContact N-O 3.15Å; N287-R427 PolarHBondContact OD1-N 3.44Å; T319-R427 WeakPolarHBondContact O-CA 3.13Å; I320-R427 HydrophobicContact CG2-CB 4.18Å; E425-R427 IonicContact OE1-CZ 3.87Å; E425-R427 IonicContact OE1-NH1 2.58Å; E425-R427 PolarHBondContact OE1-NH1 3.12Å; E425-R427 IonicContact OE2-NH1 2.58Å; R427-D429 WeakPolarHBondContact CD-OD1 3.33Å; R427-D429 IonicContact NE-OD1 3.65Å; R427-D429 PolarHBondContact NE-OD1 3.26Å
428	I	95.4	Very high	89.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	109.5	171.2	-56.4	174.3	0	0	0	106.9	L284 H285 T286 G318 T319 F321 F380 T431	L284-I428 HydrophobicContact CD1-CD1 4.33Å; H285-I428 CarbonylContact O-C 3.58Å; H285-I428 WeakPolarHBondContact O-CA 3.08Å; T286-I428 HydrophobicContact CG2-CG1 4.27Å; G318-I428 WeakPolarHBondContact CA-O 3.35Å; G318-I428 PolarHBondContact N-O 2.81Å; T319-I428 PolarHBondContact O-N 3.41Å; F321-I428 HydrophobicContact CE2-CD1 4.05Å; F321-I428 HydrophobicContact CE2-CG1 3.64Å; F321-I428 HydrophobicContact CZ-CD1 3.87Å; F321-I428 HydrophobicContact CZ-CG1 3.96Å; F380-I428 HydrophobicContact CZ-CD1 4.08Å; I428-T431 HydrophobicContact CG2-CG2 3.7Å
429	D	94.2	Very high	88.8	Confident	78 Å²	78	59 Å²	59	42%	0.417	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-44.7	180	-63	-42.6	0	0	0	110.6	H285 N287 R427	H285-D429 PolarHBondContact O-N 3.14Å; N287-D429 PolarHBondContact N-OD2 3.12Å; R427-D429 WeakPolarHBondContact CD-OD1 3.33Å; R427-D429 IonicContact NE-OD1 3.65Å; R427-D429 PolarHBondContact NE-OD1 3.26Å
430	A	93.6	Very high	88.5	Confident	32 Å²	32	59 Å²	59	26%	0.264	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	158	179.2	0	0	0	0	0	112.2	H285	H285-A430 HydrophobicContact CB-CB 4.19Å; H285-A430 WeakPolarHBondContact CB-O 3.47Å; H285-A430 PolarHBondContact N-O 3.48Å; H285-A430 PolarHBondContact O-N 3.4Å
431	T	94.1	Very high	87.8	Confident	11 Å²	11	56.8 Å²	56.8	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.7	172.2	62.8	0	0	0	0	110.1	R283 L284 C311 N317 I428	R283-T431 WeakPolarHBondContact O-CA 3.45Å; L284-T431 HydrophobicContact CD2-CG2 3.42Å; L284-T431 VanDerWaalsContact CD2-CG2 3.42Å; C311-T431 WeakPolarHBondContact CA-OG1 3Å; C311-T431 WeakPolarHBondContact CB-OG1 3.42Å; C311-T431 PolarHBondContact O-OG1 3.45Å; N317-T431 PolarHBondContact OD1-N 2.93Å; I428-T431 HydrophobicContact CG2-CG2 3.7Å
432	T	93.3	Very high	87.2	Confident	58 Å²	58	54.3 Å²	54.3	36%	0.356	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.2	179.1	-57.1	0	0	0	0	109.4	V282 R283 H285 F434	V282-T432 WeakPolarHBondContact CA-O 3.38Å; R283-T432 PolarHBondContact N-O 3Å; R283-T432 PolarHBondContact O-N 2.73Å; H285-T432 PolarHBondContact NE2-OG1 3.48Å; T432-F434 HydrophobicContact CG2-CE1 4.46Å
433	V	92.3	Very high	86.7	Confident	34 Å²	34	55.7 Å²	55.7	21%	0.206	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	113	176	-176.5	0	0	0	0	108	V282 I308 C311 K312 D436	V282-V433 HydrophobicContact CG2-CG1 4.42Å; V282-V433 HydrophobicContact CG2-CG2 4.27Å; I308-V433 HydrophobicContact CG2-CG1 4.11Å; I308-V433 HydrophobicContact CG2-CG2 4.36Å; C311-V433 HydrophobicContact CB-CG2 3.83Å; K312-V433 HydrophobicContact CG-CG2 4.18Å; V433-D436 HydrophobicContact CG1-CB 4.08Å
434	F	87.4	Confident	86.2	Confident	114 Å²	114	52.9 Å²	52.9	50%	0.5	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-42.2	179.3	-74.6	-59.5	0	0	0	112.5	Y281 R283 T432	Y281-F434 PolarHBondContact O-N 3.29Å; R283-F434 HydrophobicContact CB-CD2 4.15Å; R283-F434 HydrophobicContact CB-CE2 3.49Å; R283-F434 VanDerWaalsContact CB-CE2 3.49Å; R283-F434 HydrophobicContact CB-CZ 4.08Å; R283-F434 HydrophobicContact CG-CE2 4.2Å; T432-F434 HydrophobicContact CG2-CE1 4.46Å
435	V	85.8	Confident	85.6	Confident	53 Å²	53	48.3 Å²	48.3	32%	0.321	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	109.9	-178	-179.2	0	0	0	0	107.3	G280 Y281 P437	G280-V435 WeakPolarHBondContact CA-O 3.36Å; Y281-V435 HydrophobicContact CD2-CB 4.11Å; Y281-V435 HydrophobicContact CD2-CG2 3.95Å; Y281-V435 PolarHBondContact N-O 3.22Å; Y281-V435 PolarHBondContact O-N 3.32Å; V435-P437 WeakPolarHBondContact O-CD 3.38Å
436	D	85.1	Confident	85.1	Confident	25 Å²	25	46.4 Å²	46.4	13%	0.134	25%	0.251	C	S	.	.			trans	-98.9	104	169.4	-169.3	-15.5	0	0	0	109.8	I308 K312 V433 Y438 E439	I308-D436 WeakPolarHBondContact CG2-OD2 3.15Å; K312-D436 WeakPolarHBondContact CE-OD2 3.41Å; K312-D436 IonicContact NZ-OD2 2.92Å; K312-D436 PolarHBondContact NZ-OD2 3.29Å; V433-D436 HydrophobicContact CG1-CB 4.08Å; D436-Y438 PolarHBondContact O-N 2.93Å; D436-Y438 WeakPolarHBondContact OD1-CB 3.27Å; D436-Y438 WeakPolarHBondContact OD1-CD2 3.43Å; D436-Y438 PolarHBondContact OD1-N 3.16Å; D436-E439 HydrophobicContact CB-CG 4.37Å
437	P	80.7	Confident	84.5	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-74.2	-12.3	-179.9	33	-35.8	0	0	0	112.9	V276 K278 C297 V435 A441	V276-P437 HydrophobicContact CG1-CB 4.1Å; V276-P437 HydrophobicContact CG1-CG 4.19Å; K278-P437 HydrophobicContact CB-CB 3.93Å; K278-P437 VanDerWaalsContact O-CB 3.32Å; K278-P437 WeakPolarHBondContact O-CB 3.42Å; C297-P437 HydrophobicContact CB-CG 3.91Å; C297-P437 VanDerWaalsContact SG-CG 3.56Å; V435-P437 WeakPolarHBondContact O-CD 3.38Å; P437-A441 PolarHBondContact O-N 3.42Å
438	Y	80.3	Confident	83.8	Confident	3 Å²	3	51 Å²	51	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-84.7	-27.8	-177.7	-60.8	-84.4	0	0	0	113.4	Y273 V276 P301 C304 E305 I308 D436 E440 A441 D442	Y273-Y438 HydrophobicContact CD1-CE1 4.11Å; Y273-Y438 HydrophobicContact CE1-CE1 4.11Å; V276-Y438 HydrophobicContact CB-CE1 4.47Å; V276-Y438 HydrophobicContact CG1-CD1 4.5Å; V276-Y438 HydrophobicContact CG1-CE1 4.16Å; V276-Y438 HydrophobicContact CG2-CD1 3.56Å; V276-Y438 HydrophobicContact CG2-CE1 3.73Å; V276-Y438 HydrophobicContact CG2-CG 4.41Å; P301-Y438 WeakPolarHBondContact CA-OH 3.46Å; P301-Y438 PolarHBondContact O-OH 3.3Å; C304-Y438 HydrophobicContact CB-CE2 4.42Å; C304-Y438 VanDerWaalsContact CB-OH 3.23Å; C304-Y438 WeakPolarHBondContact CB-OH 3.19Å; E305-Y438 HydrophobicContact CB-CD1 4.44Å; E305-Y438 HydrophobicContact CB-CE1 3.85Å; E305-Y438 HydrophobicContact CB-CE2 4.08Å; E305-Y438 HydrophobicContact CG-CE1 4.4Å; E305-Y438 PolarHBondContact N-OH 3Å; E305-Y438 VanDerWaalsContact N-OH 3.11Å; I308-Y438 HydrophobicContact CD1-CD2 4.03Å; I308-Y438 HydrophobicContact CD1-CE2 3.86Å; D436-Y438 PolarHBondContact O-N 2.93Å; D436-Y438 WeakPolarHBondContact OD1-CB 3.27Å; D436-Y438 WeakPolarHBondContact OD1-CD2 3.43Å; D436-Y438 PolarHBondContact OD1-N 3.16Å; Y438-E440 VanDerWaalsContact C-N 3.32Å; Y438-A441 PolarHBondContact O-N 2.92Å; Y438-D442 WeakPolarHBondContact O-CB 3.49Å; Y438-D442 PolarHBondContact O-N 3.26Å
439	E	77.7	Confident	83.1	Confident	118 Å²	118	54.1 Å²	54.1	55%	0.551	29%	0.289	S	S	*	.	H	α-helix	trans	-65.6	-39.5	174.1	-73.3	-174.7	165.8	0	0	111.3	K312 D436 D442 A443	K312-E439 IonicContact NZ-OE1 3.29Å; K312-E439 PolarHBondContact NZ-OE1 3.41Å; K312-E439 IonicContact NZ-OE2 3.28Å; D436-E439 HydrophobicContact CB-CG 4.37Å; E439-D442 PolarHBondContact O-N 3.13Å; E439-A443 WeakPolarHBondContact O-CB 3.33Å; E439-A443 PolarHBondContact O-N 2.92Å
440	E	75.4	Confident	82.4	Confident	75 Å²	75	56.5 Å²	56.5	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-41.8	174.5	-63.9	-173.3	173.9	0	0	111.7	K278 Y438 A443 Q444	K278-E440 VanDerWaalsContact CD-OE2 3.28Å; K278-E440 WeakPolarHBondContact CD-OE2 3.25Å; K278-E440 WeakPolarHBondContact CE-OE2 3.45Å; K278-E440 IonicContact NZ-OE1 3.15Å; K278-E440 PolarHBondContact NZ-OE1 3.39Å; K278-E440 IonicContact NZ-OE2 2.89Å; K278-E440 PolarHBondContact NZ-OE2 3.14Å; Y438-E440 VanDerWaalsContact C-N 3.32Å; E440-A443 PolarHBondContact O-N 3.1Å; E440-Q444 WeakPolarHBondContact O-CB 3.47Å; E440-Q444 VanDerWaalsContact O-CG 3.28Å; E440-Q444 WeakPolarHBondContact O-CG 3.45Å; E440-Q444 PolarHBondContact O-N 3.1Å
441	A	74.7	Confident	81.7	Confident	2 Å²	2	59.1 Å²	59.1	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-43.2	176.6	0	0	0	0	0	111.6	F275 V276 P437 Y438 A443 Q444 I445	F275-A441 HydrophobicContact CB-CB 4.16Å; V276-A441 HydrophobicContact CG2-CB 3.78Å; P437-A441 PolarHBondContact O-N 3.42Å; Y438-A441 PolarHBondContact O-N 2.92Å; A441-A443 PolarHBondContact O-N 3.3Å; A441-Q444 PolarHBondContact O-N 3.01Å; A441-I445 WeakPolarHBondContact O-CD1 3.36Å; A441-I445 VanDerWaalsContact O-CG1 3.26Å; A441-I445 WeakPolarHBondContact O-CG1 3.45Å; A441-I445 PolarHBondContact O-N 2.88Å
442	D	77.6	Confident	80.7	Confident	60 Å²	60	62.1 Å²	62.1	32%	0.321	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-42.3	176.4	-72.2	-17.7	0	0	0	111.6	R272 Y438 E439 I445 A446	R272-D442 WeakPolarHBondContact CD-OD1 3.44Å; R272-D442 IonicContact CZ-OD1 3.65Å; R272-D442 IonicContact CZ-OD2 3.54Å; R272-D442 IonicContact NE-OD1 3.03Å; R272-D442 PolarHBondContact NE-OD1 2.95Å; R272-D442 IonicContact NE-OD2 2.98Å; R272-D442 IonicContact NH1-OD1 2.81Å; R272-D442 PolarHBondContact NH1-OD1 3.22Å; R272-D442 IonicContact NH1-OD2 3.38Å; R272-D442 PolarHBondContact NH1-OD2 2.76Å; R272-D442 IonicContact NH2-OD1 3.96Å; R272-D442 IonicContact NH2-OD2 3.97Å; R272-D442 PolarHBondContact NH2-OD2 3.43Å; Y438-D442 WeakPolarHBondContact O-CB 3.49Å; Y438-D442 PolarHBondContact O-N 3.26Å; E439-D442 PolarHBondContact O-N 3.13Å; D442-I445 PolarHBondContact O-N 3.05Å; D442-A446 WeakPolarHBondContact O-CB 3.31Å; D442-A446 PolarHBondContact O-N 3.35Å
443	A	80.3	Confident	79.5	Confident	47 Å²	47	65.7 Å²	65.7	39%	0.388	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-42	176.4	0	0	0	0	0	112.2	E439 E440 A441 A446 Q447	E439-A443 WeakPolarHBondContact O-CB 3.33Å; E439-A443 PolarHBondContact O-N 2.92Å; E440-A443 PolarHBondContact O-N 3.1Å; A441-A443 PolarHBondContact O-N 3.3Å; A443-A446 PolarHBondContact O-N 3.36Å; A443-Q447 WeakPolarHBondContact O-CB 3Å; A443-Q447 VanDerWaalsContact O-CG 3.28Å; A443-Q447 WeakPolarHBondContact O-CG 3.34Å; A443-Q447 PolarHBondContact O-N 2.88Å
444	Q	77.6	Confident	78.4	Confident	83 Å²	83	70 Å²	70	39%	0.388	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-46.3	176.7	-75	173.1	20.5	0	0	111.6	E440 A441 A446 Q447 E448	E440-Q444 WeakPolarHBondContact O-CB 3.47Å; E440-Q444 VanDerWaalsContact O-CG 3.28Å; E440-Q444 WeakPolarHBondContact O-CG 3.45Å; E440-Q444 PolarHBondContact O-N 3.1Å; A441-Q444 PolarHBondContact O-N 3.01Å; Q444-A446 VanDerWaalsContact C-N 3.31Å; Q444-A446 PolarHBondContact O-N 3.12Å; Q444-Q447 PolarHBondContact O-N 3.33Å; Q444-E448 WeakPolarHBondContact O-CG 3.19Å; Q444-E448 PolarHBondContact O-N 3.11Å
445	I	77.8	Confident	77.3	Confident	14 Å²	14	67.9 Å²	67.9	7%	0.072	36%	0.359	C	S	.	.	H	α-helix	trans	-61.9	-41.8	178	-67.5	164.1	0	0	0	110.7	L271 R272 F275 A441 D442 E448 R449	L271-I445 HydrophobicContact CD2-CD1 4.22Å; L271-I445 HydrophobicContact CD2-CG1 4.4Å; L271-I445 HydrophobicContact CD2-CG2 4.5Å; R272-I445 HydrophobicContact CB-CD1 4.19Å; R272-I445 HydrophobicContact CG-CD1 4.45Å; F275-I445 HydrophobicContact CD2-CD1 4.01Å; F275-I445 HydrophobicContact CD2-CG1 3.98Å; F275-I445 HydrophobicContact CE2-CG1 4.27Å; F275-I445 HydrophobicContact CG-CG1 4.42Å; A441-I445 WeakPolarHBondContact O-CD1 3.36Å; A441-I445 VanDerWaalsContact O-CG1 3.26Å; A441-I445 WeakPolarHBondContact O-CG1 3.45Å; A441-I445 PolarHBondContact O-N 2.88Å; D442-I445 PolarHBondContact O-N 3.05Å; I445-E448 PolarHBondContact O-N 3.08Å; I445-R449 HydrophobicContact CG2-CG 4.45Å; I445-R449 WeakPolarHBondContact O-CB 3.08Å; I445-R449 VanDerWaalsContact O-CG 3.31Å; I445-R449 WeakPolarHBondContact O-CG 3.33Å; I445-R449 PolarHBondContact O-N 2.63Å
446	A	78.9	Confident	75.9	Confident	58 Å²	58	68.6 Å²	68.6	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-41.3	176.4	0	0	0	0	0	112.1	D442 A443 Q444 K450	D442-A446 WeakPolarHBondContact O-CB 3.31Å; D442-A446 PolarHBondContact O-N 3.35Å; A443-A446 PolarHBondContact O-N 3.36Å; Q444-A446 VanDerWaalsContact C-N 3.31Å; Q444-A446 PolarHBondContact O-N 3.12Å; A446-K450 VanDerWaalsContact O-CB 3.31Å; A446-K450 WeakPolarHBondContact O-CB 3.28Å; A446-K450 PolarHBondContact O-N 3.03Å
447	Q	79.6	Confident	74	Confident	128 Å²	128	72 Å²	72	60%	0.598	39%	0.394	S	S	*	.	H	α-helix	trans	-65.9	-44.5	176.4	-75.2	176.9	1.2	0	0	112.4	A443 Q444 K450 T451	A443-Q447 WeakPolarHBondContact O-CB 3Å; A443-Q447 VanDerWaalsContact O-CG 3.28Å; A443-Q447 WeakPolarHBondContact O-CG 3.34Å; A443-Q447 PolarHBondContact O-N 2.88Å; Q444-Q447 PolarHBondContact O-N 3.33Å; Q447-K450 PolarHBondContact O-N 2.88Å; Q447-T451 WeakPolarHBondContact O-CB 3.4Å; Q447-T451 PolarHBondContact O-N 3.15Å; Q447-T451 PolarHBondContact O-OG1 3.49Å
448	E	79.1	Confident	72.2	Confident	74 Å²	74	80.5 Å²	80.5	35%	0.346	43%	0.433	S	S	.	.	H	α-helix	trans	-64.1	-43.6	177	-73.7	-174.1	177.3	0	0	111.4	L236 Q444 I445 K450 T451 Q452	L236-E448 HydrophobicContact CD1-CB 4.22Å; Q444-E448 WeakPolarHBondContact O-CG 3.19Å; Q444-E448 PolarHBondContact O-N 3.11Å; I445-E448 PolarHBondContact O-N 3.08Å; E448-K450 PolarHBondContact O-N 3.13Å; E448-T451 PolarHBondContact O-N 3.46Å; E448-Q452 WeakPolarHBondContact O-CB 3.46Å; E448-Q452 VanDerWaalsContact O-CG 3.29Å; E448-Q452 WeakPolarHBondContact O-CG 3.42Å; E448-Q452 PolarHBondContact O-N 3.2Å
449	R	78.8	Confident	70.1	Confident	65 Å²	65	86.6 Å²	86.6	25%	0.245	47%	0.471	C	S	.	.	H	α-helix	trans	-60.7	-43.9	174.5	-75.2	-177.4	-173.5	-171.7	1.4	111.4	L236 N237 E268 I445 Q452 L453	L236-R449 HydrophobicContact CD1-CG 4.24Å; N237-R449 PolarHBondContact ND2-NH2 3.22Å; E268-R449 IonicContact OE1-CZ 3.61Å; E268-R449 IonicContact OE1-NH1 3.7Å; E268-R449 PolarHBondContact OE1-NH1 3.08Å; E268-R449 IonicContact OE1-NH2 2.71Å; E268-R449 PolarHBondContact OE1-NH2 3.5Å; I445-R449 HydrophobicContact CG2-CG 4.45Å; I445-R449 WeakPolarHBondContact O-CB 3.08Å; I445-R449 VanDerWaalsContact O-CG 3.31Å; I445-R449 WeakPolarHBondContact O-CG 3.33Å; I445-R449 PolarHBondContact O-N 2.63Å; R449-Q452 PolarHBondContact O-N 2.76Å; R449-L453 WeakPolarHBondContact O-CG 3.32Å; R449-L453 PolarHBondContact O-N 3.41Å
450	K	80	Confident	68.4	Low	129 Å²	129	90.2 Å²	90.2	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-61.8	-46	176.9	-173.3	178.3	174.5	-175.5	0	111.7	A446 Q447 E448 Q452 L453 E454	A446-K450 VanDerWaalsContact O-CB 3.31Å; A446-K450 WeakPolarHBondContact O-CB 3.28Å; A446-K450 PolarHBondContact O-N 3.03Å; Q447-K450 PolarHBondContact O-N 2.88Å; E448-K450 PolarHBondContact O-N 3.13Å; K450-Q452 VanDerWaalsContact C-N 3.3Å; K450-Q452 PolarHBondContact O-N 3.34Å; K450-L453 PolarHBondContact O-N 3.15Å; K450-E454 WeakPolarHBondContact CE-OE1 3.4Å; K450-E454 WeakPolarHBondContact O-CG 3.41Å; K450-E454 PolarHBondContact O-N 3.14Å
451	T	80.4	Confident	66.7	Low	87 Å²	87	93.1 Å²	93.1	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-61.3	-39.5	177.4	-51.9	0	0	0	0	111.4	Q447 E448 E454 A455	Q447-T451 WeakPolarHBondContact O-CB 3.4Å; Q447-T451 PolarHBondContact O-N 3.15Å; Q447-T451 PolarHBondContact O-OG1 3.49Å; E448-T451 PolarHBondContact O-N 3.46Å; T451-E454 PolarHBondContact O-N 2.87Å; T451-A455 WeakPolarHBondContact O-CB 3.26Å; T451-A455 PolarHBondContact O-N 3.09Å
452	Q	71.4	Confident	64.6	Low	74 Å²	74	102.8 Å²	102.8	35%	0.346	55%	0.549	S	S	.	.	H	α-helix	trans	-68.3	-36.2	177.3	-73.8	178.6	31.4	0	0	113.1	L236 E448 R449 K450 E454 A455 A456	L236-Q452 VanDerWaalsContact CD1-NE2 3.31Å; E448-Q452 WeakPolarHBondContact O-CB 3.46Å; E448-Q452 VanDerWaalsContact O-CG 3.29Å; E448-Q452 WeakPolarHBondContact O-CG 3.42Å; E448-Q452 PolarHBondContact O-N 3.2Å; R449-Q452 PolarHBondContact O-N 2.76Å; K450-Q452 VanDerWaalsContact C-N 3.3Å; K450-Q452 PolarHBondContact O-N 3.34Å; Q452-E454 VanDerWaalsContact C-N 3.35Å; Q452-A455 PolarHBondContact O-N 3.14Å; Q452-A456 PolarHBondContact O-N 3.29Å
453	L	69.4	Low	62.5	Low	132 Å²	132	105 Å²	105	69%	0.691	57%	0.569	S	S	*	*	H	α-helix	trans	-66.8	-38.4	173.6	-69.9	168.1	0	0	0	111.4	R449 K450 A456	R449-L453 WeakPolarHBondContact O-CG 3.32Å; R449-L453 PolarHBondContact O-N 3.41Å; K450-L453 PolarHBondContact O-N 3.15Å; L453-A456 PolarHBondContact O-N 3.27Å
454	E	68.3	Low	60.3	Low	124 Å²	124	108.2 Å²	108.2	58%	0.579	59%	0.589	S	S	*	*	H	α-helix	trans	-74.7	-24.5	177.3	-71	174.1	-176.6	0	0	113.4	K450 T451 Q452 P457	K450-E454 WeakPolarHBondContact CE-OE1 3.4Å; K450-E454 WeakPolarHBondContact O-CG 3.41Å; K450-E454 PolarHBondContact O-N 3.14Å; T451-E454 PolarHBondContact O-N 2.87Å; Q452-E454 VanDerWaalsContact C-N 3.35Å; E454-P457 VanDerWaalsContact C-CD 3.5Å; E454-P457 WeakPolarHBondContact O-CD 3.3Å; E454-P457 WeakPolarHBondContact O-CG 3.36Å
455	A	63.8	Low	58.1	Low	70 Å²	70	112.5 Å²	112.5	58%	0.579	61%	0.609	S	S	*	*	H	α-helix	trans	-85.8	-10.7	174.3	0	0	0	0	0	114	T451 Q452	T451-A455 WeakPolarHBondContact O-CB 3.26Å; T451-A455 PolarHBondContact O-N 3.09Å; Q452-A455 PolarHBondContact O-N 3.14Å
456	A	56.8	Low	56.1	Low	68 Å²	68	117.9 Å²	117.9	56%	0.562	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-7.4	176	0	0	0	0	0	117.5	Q452 L453	Q452-A456 PolarHBondContact O-N 3.29Å; L453-A456 PolarHBondContact O-N 3.27Å
457	P	46.5	Very low	53.8	Low	98 Å²	98	123.9 Å²	123.9	64%	0.636	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-15.1	176.1	-15.5	29.3	0	0	0	116	E454	E454-P457 VanDerWaalsContact C-CD 3.5Å; E454-P457 WeakPolarHBondContact O-CD 3.3Å; E454-P457 WeakPolarHBondContact O-CG 3.36Å
458	E	42	Very low	51.9	Low	181 Å²	181	123.2 Å²	123.2	85%	0.846	68%	0.68	S	S	*	*	S	Bend	trans	-106.9	6.7	-166.1	-66.5	-164.8	161	0	0	117
459	T	37.1	Very low	49.8	Very low	132 Å²	132	122.8 Å²	122.8	81%	0.81	70%	0.695	S	S	*	*	S	Bend	trans	-117.9	42.1	174.5	35.1	0	0	0	0	113.8
460	K	41.1	Very low	48.2	Very low	194 Å²	194	124.9 Å²	124.9	84%	0.843	72%	0.72	S	S	*	*			trans	-129.8	66.2	163.7	-81	-170.5	176.8	178.6	0	112.2
461	V	39.2	Very low	46.5	Very low	136 Å²	136	127.3 Å²	127.3	82%	0.824	73%	0.733	S	S	*	*			trans	-158.6	97	140	-173.3	0	0	0	0	109.6
462	K	30.6	Very low	45.3	Very low	204 Å²	204	126 Å²	126	89%	0.887	74%	0.737	S	S	*	*			trans	-172.4	63	133.8	-100.9	179.7	-173.7	-178.6	0	107.6	S464	K462-S464 PolarHBondContact O-N 3.09Å
463	S	33.1	Very low	44.8	Very low	106 Å²	106	127 Å²	127	74%	0.741	75%	0.75	S	S	*	*			trans	-70.7	100.3	157.4	50.5	0	0	0	0	107.3	Q465	S463-Q465 PolarHBondContact O-N 3.12Å; S463-Q465 VanDerWaalsContact O-N 3.16Å
464	S	34	Very low	44.5	Very low	116 Å²	116	127.3 Å²	127.3	81%	0.811	75%	0.748	S	S	*	*			trans	-60.6	112.4	156.2	48.6	0	0	0	0	107	K462	K462-S464 PolarHBondContact O-N 3.09Å
465	Q	31.9	Very low	44.5	Very low	173 Å²	173	125 Å²	125	81%	0.808	74%	0.742	S	S	*	*			trans	-55	138	172.9	-69.4	177.2	-16.8	0	0	109.6	S463 E467	S463-Q465 PolarHBondContact O-N 3.12Å; S463-Q465 VanDerWaalsContact O-N 3.16Å; Q465-E467 PolarHBondContact O-N 3.26Å
466	P	35.4	Very low	44.9	Very low	126 Å²	126	125.6 Å²	125.6	82%	0.818	73%	0.732	S	S	*	*			trans	-74.7	116	159.9	5.3	11.1	0	0	0	107.5	A468	P466-A468 PolarHBondContact O-N 3.25Å
467	E	31.8	Very low	45.4	Very low	184 Å²	184	130.3 Å²	130.3	86%	0.86	74%	0.735	S	S	*	*			trans	-58.9	129.3	166.1	-77.3	-174.6	155.2	0	0	109.4	Q465 G469	Q465-E467 PolarHBondContact O-N 3.26Å; E467-G469 PolarHBondContact O-N 2.87Å
468	A	39.6	Very low	46.6	Very low	114 Å²	114	134.9 Å²	134.9	94%	0.942	75%	0.748	S	S	*	*			trans	-69.4	94.7	167.8	0	0	0	0	0	108.7	P466	P466-A468 PolarHBondContact O-N 3.25Å
469	G	35.5	Very low	47.9	Very low	66 Å²	66	128.9 Å²	128.9	68%	0.68	74%	0.735	S	S	*	*			trans	-147.9	123.5	172.6	0	0	0	0	0	109.6	E467	E467-G469 PolarHBondContact O-N 2.87Å
470	S	43.6	Very low	49.2	Very low	109 Å²	109	130.4 Å²	130.4	76%	0.762	74%	0.744	S	S	*	*			trans	-52.8	134.3	-179.9	50.5	0	0	0	0	113.4
471	Q	45.3	Very low	50.3	Low	180 Å²	180	122.7 Å²	122.7	84%	0.841	72%	0.719	S	S	*	*			trans	-176.4	129.9	139.1	-98.1	152.1	63.3	0	0	110.4
472	G	54.1	Low	51.9	Low	60 Å²	60	120 Å²	120	62%	0.619	70%	0.696	S	S	*	*			trans	-62.6	180	173.3	0	0	0	0	0	112.9	Q474	G472-Q474 PolarHBondContact O-N 3.07Å
473	P	61.9	Low	53.9	Low	94 Å²	94	116.8 Å²	116.8	61%	0.61	68%	0.68	S	S	*	*	S	Bend	trans	-54	128	-175.3	21.2	-32.1	0	0	0	111.5	T475 Y483	P473-T475 PolarHBondContact O-N 3.06Å; P473-Y483 HydrophobicContact CB-CD1 3.74Å; P473-Y483 HydrophobicContact CB-CE1 3.67Å; P473-Y483 HydrophobicContact CG-CD1 4.14Å; P473-Y483 HydrophobicContact CG-CE1 3.56Å; P473-Y483 WeakPolarHBondContact O-CE1 3.4Å
474	Q	63.9	Low	55.8	Low	139 Å²	139	117.3 Å²	117.3	65%	0.65	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-59.6	123.5	-177.9	-85.3	-175	-15.2	0	0	110.8	G472 F476	G472-Q474 PolarHBondContact O-N 3.07Å; Q474-F476 HydrophobicContact CB-CE2 4.27Å; Q474-F476 HydrophobicContact CB-CZ 4.22Å; Q474-F476 WeakPolarHBondContact O-CD2 3.46Å; Q474-F476 WeakPolarHBondContact O-CE2 3.43Å
475	T	68.4	Low	57.6	Low	74 Å²	74	115.2 Å²	115.2	45%	0.454	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-94	117.2	-179.6	57	0	0	0	0	110.1	P473 K482 Y483	P473-T475 PolarHBondContact O-N 3.06Å; T475-K482 CarbonylContact C-O 3.5Å; T475-K482 VanDerWaalsContact CA-O 3.26Å; T475-K482 WeakPolarHBondContact CA-O 3.2Å; T475-K482 HydrophobicContact CG2-CD 3.5Å; T475-K482 HydrophobicContact CG2-CG 3.85Å; T475-Y483 HydrophobicContact CG2-CD1 4.07Å; T475-Y483 HydrophobicContact CG2-CE1 3.47Å; T475-Y483 VanDerWaalsContact CG2-CE1 3.47Å
476	F	71.7	Confident	59	Low	84 Å²	84	109.8 Å²	109.8	37%	0.368	63%	0.632	S	S	.	*	S	Bend	trans	-90.4	-20.4	-179	-63.2	-80.8	0	0	0	113.2	Q474 K482 N485	Q474-F476 HydrophobicContact CB-CE2 4.27Å; Q474-F476 HydrophobicContact CB-CZ 4.22Å; Q474-F476 WeakPolarHBondContact O-CD2 3.46Å; Q474-F476 WeakPolarHBondContact O-CE2 3.43Å; F476-K482 PolarHBondContact N-O 2.9Å; F476-N485 HydrophobicContact CD1-CB 4.32Å; F476-N485 HydrophobicContact CD2-CB 4.24Å; F476-N485 HydrophobicContact CE1-CB 4.1Å; F476-N485 HydrophobicContact CE2-CB 4.02Å; F476-N485 HydrophobicContact CG-CB 4.4Å; F476-N485 HydrophobicContact CZ-CB 3.96Å
477	R	67.3	Low	60.3	Low	166 Å²	166	107.2 Å²	107.2	63%	0.626	62%	0.622	S	S	*	*	S	Bend	trans	-145	169.3	177.4	-66.5	-171.7	177.5	-176.2	-1	111.1	K482	R477-K482 WeakPolarHBondContact O-CG 3.42Å
478	Q	70.5	Confident	61.7	Low	194 Å²	194	102.3 Å²	102.3	91%	0.907	61%	0.612	S	S	*	*	S	Bend	trans	-103	128.7	166.2	-68.5	-172.4	4.6	0	0	109.5
479	G	69.3	Low	62.5	Low	55 Å²	55	102.2 Å²	102.2	57%	0.567	60%	0.601	S	S	*	*	S	Bend	trans	112.9	-166.1	-176	0	0	0	0	0	114.1	G481 K482	G479-G481 PolarHBondContact O-N 3.07Å; G479-K482 WeakPolarHBondContact O-CB 3.43Å; G479-K482 PolarHBondContact O-N 3.24Å
480	V	64.1	Low	63.2	Low	164 Å²	164	107.2 Å²	107.2	99%	0.994	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	129.9	178.2	-173.5	0	0	0	0	109.4
481	G	66.1	Low	63.2	Low	32 Å²	32	113.3 Å²	113.3	33%	0.33	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	94	15.7	-171.8	0	0	0	0	0	114.7	G479 Y483 I484	G479-G481 PolarHBondContact O-N 3.07Å; G481-Y483 PolarHBondContact O-N 2.61Å; G481-I484 PolarHBondContact O-N 3.43Å
482	K	71.9	Confident	63.2	Low	79 Å²	79	113.7 Å²	113.7	34%	0.343	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-48.4	-29.8	-177.2	-142	-172.1	178	-173.7	0	115.5	T475 F476 R477 G479	T475-K482 CarbonylContact C-O 3.5Å; T475-K482 VanDerWaalsContact CA-O 3.26Å; T475-K482 WeakPolarHBondContact CA-O 3.2Å; T475-K482 HydrophobicContact CG2-CD 3.5Å; T475-K482 HydrophobicContact CG2-CG 3.85Å; F476-K482 PolarHBondContact N-O 2.9Å; R477-K482 WeakPolarHBondContact O-CG 3.42Å; G479-K482 WeakPolarHBondContact O-CB 3.43Å; G479-K482 PolarHBondContact O-N 3.24Å
483	Y	73.4	Confident	62.5	Low	138 Å²	138	122.1 Å²	122.1	54%	0.541	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.9	8.5	-171.6	-52.8	-68.6	0	0	0	114.1	P473 T475 G481	P473-Y483 HydrophobicContact CB-CD1 3.74Å; P473-Y483 HydrophobicContact CB-CE1 3.67Å; P473-Y483 HydrophobicContact CG-CD1 4.14Å; P473-Y483 HydrophobicContact CG-CE1 3.56Å; P473-Y483 WeakPolarHBondContact O-CE1 3.4Å; T475-Y483 HydrophobicContact CG2-CD1 4.07Å; T475-Y483 HydrophobicContact CG2-CE1 3.47Å; T475-Y483 VanDerWaalsContact CG2-CE1 3.47Å; G481-Y483 PolarHBondContact O-N 2.61Å
484	I	71.5	Confident	61.2	Low	117 Å²	117	128 Å²	128	60%	0.6	64%	0.643	S	S	*	*			trans	-95.9	122	-178.7	-59.6	173.9	0	0	0	109.4	G481 P486	G481-I484 PolarHBondContact O-N 3.43Å; I484-P486 WeakPolarHBondContact O-CD 3.47Å
485	N	73.2	Confident	59.6	Low	72 Å²	72	126.9 Å²	126.9	39%	0.385	65%	0.651	S	S	.	*			trans	-83.3	115.4	-179.2	-174	-8.5	0	0	0	111.2	F476 A487 A488	F476-N485 HydrophobicContact CD1-CB 4.32Å; F476-N485 HydrophobicContact CD2-CB 4.24Å; F476-N485 HydrophobicContact CE1-CB 4.1Å; F476-N485 HydrophobicContact CE2-CB 4.02Å; F476-N485 HydrophobicContact CG-CB 4.4Å; F476-N485 HydrophobicContact CZ-CB 3.96Å; N485-A487 VanDerWaalsContact C-N 3.28Å; N485-A487 PolarHBondContact O-N 3.13Å; N485-A487 PolarHBondContact OD1-N 2.88Å; N485-A488 PolarHBondContact O-N 3.02Å
486	P	61.3	Low	58.2	Low	59 Å²	59	129.5 Å²	129.5	38%	0.383	67%	0.669	S	S	.	*	G	3₁₀ helix	trans	-69.9	-18	-175.5	27.2	-33.9	0	0	0	114.6	I484 A488 T489	I484-P486 WeakPolarHBondContact O-CD 3.47Å; P486-A488 VanDerWaalsContact C-N 3.28Å; P486-A488 PolarHBondContact O-N 2.7Å; P486-T489 PolarHBondContact O-N 3.11Å
487	A	62.7	Low	56.4	Low	72 Å²	72	133.7 Å²	133.7	60%	0.595	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-73.5	-18.9	178.9	0	0	0	0	0	113.5	N485 T489	N485-A487 VanDerWaalsContact C-N 3.28Å; N485-A487 PolarHBondContact O-N 3.13Å; N485-A487 PolarHBondContact OD1-N 2.88Å; A487-T489 VanDerWaalsContact C-N 3.28Å; A487-T489 PolarHBondContact O-N 3.33Å
488	A	59.9	Low	54.8	Low	80 Å²	80	131.5 Å²	131.5	66%	0.661	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-75.1	-18.4	176.9	0	0	0	0	0	112.8	N485 P486	N485-A488 PolarHBondContact O-N 3.02Å; P486-A488 VanDerWaalsContact C-N 3.28Å; P486-A488 PolarHBondContact O-N 2.7Å
489	T	57.8	Low	53.1	Low	113 Å²	113	127 Å²	127	69%	0.693	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-91.6	-7.8	-171.6	-29.8	0	0	0	0	113.8	P486 A487	P486-T489 PolarHBondContact O-N 3.11Å; A487-T489 VanDerWaalsContact C-N 3.28Å; A487-T489 PolarHBondContact O-N 3.33Å
490	E	49.7	Very low	51.5	Low	170 Å²	170	130.3 Å²	130.3	79%	0.794	71%	0.709	S	S	*	*			trans	-91.2	0.2	-176.4	-80.6	-167	157.8	0	0	115.8	Q492	E490-Q492 VanDerWaalsContact C-N 3.29Å; E490-Q492 PolarHBondContact O-N 2.96Å
491	R	44.1	Very low	50	Low	237 Å²	237	130.7 Å²	130.7	89%	0.894	71%	0.705	S	S	*	*			trans	-83.8	67.9	175.6	-75.9	-172.9	178.5	-179.5	0.5	112.3
492	Q	44.6	Very low	48.4	Very low	189 Å²	189	134.2 Å²	134.2	88%	0.883	72%	0.724	S	S	*	*			trans	-165.9	46.9	161.1	-112.7	176.9	36.6	0	0	113.5	E490	E490-Q492 VanDerWaalsContact C-N 3.29Å; E490-Q492 PolarHBondContact O-N 2.96Å
493	R	39.4	Very low	46.8	Very low	237 Å²	237	136.4 Å²	136.4	89%	0.894	75%	0.746	S	S	*	*			trans	-143.3	84.2	163.1	-79.9	-171.2	174.3	170.4	-2.5	110.7
494	K	34.6	Very low	44.7	Very low	218 Å²	218	135.9 Å²	135.9	95%	0.948	76%	0.761	S	S	*	*			trans	-174.7	93.9	151.3	-102.8	164.9	-172.2	-174.3	0	110.5
495	S	29.2	Very low	43.1	Very low	115 Å²	115	136.4 Å²	136.4	80%	0.804	77%	0.772	S	S	*	*			trans	-151.5	146.8	149	55.9	0	0	0	0	108.9
496	P	39	Very low	41.2	Very low	129 Å²	129	144.2 Å²	144.2	84%	0.838	80%	0.797	S	S	*	*			trans	-84.7	149.5	-165.4	1.5	17.9	0	0	0	113
497	L	35	Very low	39.8	Very low	171 Å²	171	153.2 Å²	153.2	90%	0.895	82%	0.823	S	S	*	*			trans	-73.9	153.9	174.3	-78.6	141.2	0	0	0	113
498	P	34	Very low	38.4	Very low	121 Å²	121	155.1 Å²	155.1	79%	0.786	83%	0.832	S	S	*	*			trans	-111.9	163.1	138.7	33.2	-22.2	0	0	0	112.7
499	A	33.7	Very low	38	Very low	98 Å²	98	157 Å²	157	81%	0.81	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-67.8	172.7	-153.4	0	0	0	0	0	118.5
500	P	37.1	Very low	36.9	Very low	125 Å²	125	158.7 Å²	158.7	81%	0.812	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-96.6	154.3	-156.8	37.9	-32.7	0	0	0	115
501	L	31.8	Very low	36.1	Very low	173 Å²	173	153.4 Å²	153.4	91%	0.906	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-97.2	147.5	165.9	-82.3	160	0	0	0	111.3
502	S	33.4	Very low	35.6	Very low	106 Å²	106	148.5 Å²	148.5	74%	0.741	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-60.3	163.8	-169	38.5	0	0	0	0	118.2
503	P	37.1	Very low	34.9	Very low	125 Å²	125	147.8 Å²	147.8	81%	0.812	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-91.1	145.7	-169.4	34.9	-32.8	0	0	0	115
504	C	29.6	Very low	34.5	Very low	126 Å²	126	139.3 Å²	139.3	85%	0.851	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-79.1	148	167.8	-73.8	0	0	0	0	112.3
505	P	38.4	Very low	34.4	Very low	128 Å²	128	135.4 Å²	135.4	83%	0.831	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-90.2	153	179.2	35.1	-31.7	0	0	0	113.7
506	R	33.8	Very low	34.5	Very low	237 Å²	237	135.6 Å²	135.6	89%	0.894	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.4	156.5	-179.9	-61.3	173.8	177.5	-161.9	-2.2	114
507	R	31.2	Very low	34.3	Very low	247 Å²	247	133.7 Å²	133.7	93%	0.932	81%	0.813	S	S	*	*				-165.7	158.9	124.6	-103.6	172.3	-170.1	-160.2	3	112
508	S	32.2	Very low	34.7	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	81%	0.812	S	S	*	*			trans	-103.3	-179.9	-145.7	41	0	0	0	0	114.4
509	P	53.3	Low	34.5	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	81%	0.807	S	S	*	*			trans	-110.6	167.5	-149.9	42.1	-34.4	0	0	0	115.5
510	V	34.3	Very low	34.5	Very low	150 Å²	150	129.9 Å²	129.9	91%	0.909	81%	0.805	S	S	*	*			trans	-157.8	132.5	157.4	-174.7	0	0	0	0	105
511	G	31.6	Very low	34.3	Very low	59 Å²	59	131.1 Å²	131.1	61%	0.608	81%	0.805	S	S	*	*			cis	115.4	90.3	31.2	0	0	0	0	0	108.3
512	V	33.6	Very low	34.6	Very low	133 Å²	133	134.4 Å²	134.4	81%	0.806	81%	0.805	S	S	*	*				104.4	144.2	102.2	165.4	0	0	0	0	114.3
513	L	31.5	Very low	35.1	Very low	175 Å²	175	136.9 Å²	136.9	92%	0.916	81%	0.809	S	S	*	*			trans	79.9	137.3	169.5	-67.6	142.6	0	0	0	117.7
514	G	31	Very low	36	Very low	58 Å²	58	136.6 Å²	136.6	60%	0.598	81%	0.807	S	S	*	*			cis	166.3	135	1.4	0	0	0	0	0	111
515	T	32	Very low	36.6	Very low	137 Å²	137	137.2 Å²	137.2	84%	0.84	80%	0.802	S	S	*	*			trans	54.9	135.1	143.5	56	0	0	0	0	124.5
516	S	30.5	Very low	36.9	Very low	118 Å²	118	138.5 Å²	138.5	83%	0.825	80%	0.802	S	S	*	*			trans	98.2	120.5	136.6	71.6	0	0	0	0	120.8
517	A	34.5	Very low	37.3	Very low	90 Å²	90	142.3 Å²	142.3	74%	0.744	82%	0.816	S	S	*	*			trans	-73.2	167.5	154.3	0	0	0	0	0	109.4
518	P	43.4	Very low	37.6	Very low	133 Å²	133	137.1 Å²	137.1	86%	0.864	81%	0.811	S	S	*	*				-151.6	-177.7	53.8	37.7	-14.7	0	0	0	116.4
519	G	30.6	Very low	37.9	Very low	67 Å²	67	138.4 Å²	138.4	69%	0.691	81%	0.812	S	S	*	*			trans	115.1	106	137.1	0	0	0	0	0	120.7
520	S	33.4	Very low	37.1	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	81%	0.814	S	S	*	*				64.5	128.3	127.8	69.6	0	0	0	0	123.5
521	N	33.8	Very low	37.2	Very low	150 Å²	150	138.9 Å²	138.9	80%	0.802	81%	0.809	S	S	*	*			trans	50.5	117.9	135.4	-71.3	-7.9	0	0	0	120.2
522	R	37.7	Very low	37.6	Very low	243 Å²	243	143.9 Å²	143.9	92%	0.917	82%	0.821	S	S	*	*				174.4	127.5	110.8	-95.9	173.9	-157.5	-156.1	4.8	112
523	L	43.7	Very low	37.9	Very low	158 Å²	158	144.6 Å²	144.6	83%	0.827	82%	0.822	S	S	*	*			trans	-65.6	158	147.3	-74	158.1	0	0	0	108.8
524	P	55.4	Low	38.3	Very low	118 Å²	118	142.4 Å²	142.4	77%	0.766	82%	0.815	S	S	*	*				-141.7	165.5	89.9	33.5	-15.5	0	0	0	115.2
525	D	43.3	Very low	38.9	Very low	140 Å²	140	148.9 Å²	148.9	75%	0.749	83%	0.832	S	S	*	*			trans	-39.8	145.9	164.1	-57.6	-60.7	0	0	0	114.5
526	D	43.8	Very low	39.4	Very low	154 Å²	154	149.9 Å²	149.9	82%	0.824	83%	0.831	S	S	*	*				170.3	136.6	101.7	-108.6	-25	0	0	0	111.5
527	R	43.2	Very low	40.2	Very low	318 Å²	318	152.8 Å²	152.8	100%	1.2	83%	0.832	S	S	*	*			trans	90.4	0	166.5	-59.5	-176.4	-176.2	-167	0.6	120

Retrieved 527 of 527 residues in 88.9 ms (Link to these results)

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